A0A096MPA7_PAPAN Loading...

Synaptotagmin-7

AlphaFold DB , UniProt , Accession A0A096MPA7, Species PAPAN (Papio anubis, Olive baboon), Gene SYT7, Length 686 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	39.4	Very low	42.7	Very low	220 Å²	220	144.8 Å²	144.8	100%	1.084	83%	0.834	S	S	*	*				0	120.1	0	-160.4	-170.5	-172	0	0	105.6
2	Y	40.3	Very low	43.5	Very low	185 Å²	185	140.8 Å²	140.8	73%	0.725	83%	0.831	S	S	*	*			trans	63.8	148.4	-173.3	-70.6	-88.2	0	0	0	115.1
3	R	39.7	Very low	45	Very low	212 Å²	212	136.2 Å²	136.2	80%	0.8	81%	0.807	S	S	*	*			cis	-158.2	161.1	-16.3	-147.6	178.1	-153.7	155.1	2.8	109.2
4	D	42.6	Very low	46.7	Very low	152 Å²	152	131.4 Å²	131.4	81%	0.813	78%	0.784	S	S	*	*			trans	-66.3	163.6	170.7	-55.3	-84.3	0	0	0	114
5	P	51.3	Low	48	Very low	111 Å²	111	137.2 Å²	137.2	72%	0.721	79%	0.787	S	S	*	*				-143.3	158.9	112.4	39	-26.1	0	0	0	117.8
6	E	37.6	Very low	48.8	Very low	182 Å²	182	135.8 Å²	135.8	85%	0.85	78%	0.776	S	S	*	*			trans	61.8	95.6	149.2	-69.2	-176.6	105.7	0	0	123.2
7	A	45.7	Very low	49.9	Very low	104 Å²	104	132.9 Å²	132.9	86%	0.86	76%	0.761	S	S	*	*				34.5	124.6	114.7	0	0	0	0	0	121.2
8	A	37.2	Very low	51.1	Low	106 Å²	106	131.1 Å²	131.1	88%	0.876	75%	0.748	S	S	*	*			trans	-116.3	146.1	163.9	0	0	0	0	0	111.8
9	S	40.7	Very low	52.3	Low	123 Å²	123	129.6 Å²	129.6	86%	0.86	74%	0.737	S	S	*	*			trans	-103.1	141.2	-173.8	-171.2	0	0	0	0	113
10	P	49.2	Very low	53.5	Low	120 Å²	120	127.3 Å²	127.3	78%	0.779	73%	0.726	S	S	*	*			trans	-95.4	141	-173.2	35.5	-34.4	0	0	0	115.4
11	G	46.4	Very low	54.4	Low	78 Å²	78	124.3 Å²	124.3	80%	0.804	71%	0.713	S	S	*	*			trans	81.6	89.2	142.5	0	0	0	0	0	118.7
12	A	52.3	Low	56.4	Low	97 Å²	97	116.4 Å²	116.4	80%	0.802	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-82.8	137	156	0	0	0	0	0	110.4
13	P	62.7	Low	58.4	Low	80 Å²	80	112.7 Å²	112.7	52%	0.519	67%	0.673	S	S	.	*	P	Polyproline II helix	trans	-70.5	151.3	178.4	29.4	-35.3	0	0	0	112.2	L18	P13-L18 HydrophobicContact CG-CD1 4.37Å; P13-L18 HydrophobicContact CG-CD2 3.92Å; P13-L18 HydrophobicContact CG-CG 4.14Å
14	S	69.2	Low	60.3	Low	69 Å²	69	107 Å²	107	48%	0.483	66%	0.658	S	S	.	*	P	Polyproline II helix	trans	-65.8	151.9	178.1	59.8	0	0	0	0	112.3	D16 V17 L18	S14-D16 PolarHBondContact O-N 3.2Å; S14-V17 PolarHBondContact O-N 2.81Å; S14-V17 VanDerWaalsContact O-N 3.13Å; S14-V17 WeakPolarHBondContact OG-CG2 3.36Å; S14-L18 PolarHBondContact O-N 3.02Å
15	R	65.3	Low	62.2	Low	219 Å²	219	103.8 Å²	103.8	83%	0.826	64%	0.644	S	S	*	*	H	α-helix	trans	-59.2	-34.4	-173.6	-65	176	74.2	163.1	1.4	112.1	L18 L19	R15-L18 PolarHBondContact O-N 3.24Å; R15-L19 WeakPolarHBondContact O-CB 3.27Å; R15-L19 PolarHBondContact O-N 3.18Å
16	D	60.8	Low	63.8	Low	114 Å²	114	102.8 Å²	102.8	61%	0.61	64%	0.636	S	S	*	*	H	α-helix	trans	-69.1	-36	-179.7	-46.5	-59.6	0	0	0	112.4	S14 L18 L19 V20	S14-D16 PolarHBondContact O-N 3.2Å; D16-L18 VanDerWaalsContact C-N 3.35Å; D16-L19 PolarHBondContact O-N 3.15Å; D16-V20 WeakPolarHBondContact O-CB 3.47Å; D16-V20 WeakPolarHBondContact O-CG2 3.27Å; D16-V20 PolarHBondContact O-N 2.96Å
17	V	67.4	Low	65.7	Low	87 Å²	87	97.6 Å²	97.6	53%	0.527	62%	0.619	S	S	.	*	H	α-helix	trans	-65.8	-40.1	174.8	174.8	0	0	0	0	110.6	S14 S21	S14-V17 PolarHBondContact O-N 2.81Å; S14-V17 VanDerWaalsContact O-N 3.13Å; S14-V17 WeakPolarHBondContact OG-CG2 3.36Å; V17-S21 WeakPolarHBondContact O-CB 3.44Å; V17-S21 PolarHBondContact O-N 2.94Å
18	L	71.9	Confident	67.2	Low	101 Å²	101	97.7 Å²	97.7	53%	0.529	61%	0.605	S	S	.	*	H	α-helix	trans	-65.2	-39.1	173.3	-65.7	174.1	0	0	0	111.9	P13 S14 R15 D16 S21 A22	P13-L18 HydrophobicContact CG-CD1 4.37Å; P13-L18 HydrophobicContact CG-CD2 3.92Å; P13-L18 HydrophobicContact CG-CG 4.14Å; S14-L18 PolarHBondContact O-N 3.02Å; R15-L18 PolarHBondContact O-N 3.24Å; D16-L18 VanDerWaalsContact C-N 3.35Å; L18-S21 PolarHBondContact O-N 3.33Å; L18-A22 WeakPolarHBondContact O-CB 3.47Å; L18-A22 PolarHBondContact O-N 3.15Å
19	L	74.7	Confident	69.2	Low	102 Å²	102	95.6 Å²	95.6	53%	0.534	58%	0.584	S	S	.	*	H	α-helix	trans	-70.4	-44.4	-178.8	-149.4	162.3	0	0	0	111.6	R15 D16 A22 I23	R15-L19 WeakPolarHBondContact O-CB 3.27Å; R15-L19 PolarHBondContact O-N 3.18Å; D16-L19 PolarHBondContact O-N 3.15Å; L19-A22 PolarHBondContact O-N 3.31Å; L19-I23 HydrophobicContact CD2-CD1 3.54Å; L19-I23 HydrophobicContact CD2-CG1 4.19Å; L19-I23 WeakPolarHBondContact O-CG1 3.28Å; L19-I23 PolarHBondContact O-N 3.15Å
20	V	74.9	Confident	71.3	Confident	84 Å²	84	93.3 Å²	93.3	51%	0.509	56%	0.564	S	S	.	*	H	α-helix	trans	-62.9	-43.6	172.6	171.2	0	0	0	0	111.2	D16 A22 I23 I24	D16-V20 WeakPolarHBondContact O-CB 3.47Å; D16-V20 WeakPolarHBondContact O-CG2 3.27Å; D16-V20 PolarHBondContact O-N 2.96Å; V20-A22 VanDerWaalsContact C-N 3.35Å; V20-A22 PolarHBondContact O-N 3.5Å; V20-I23 PolarHBondContact O-N 2.65Å; V20-I24 HydrophobicContact CG1-CD1 3.78Å; V20-I24 HydrophobicContact CG1-CG1 4.49Å; V20-I24 WeakPolarHBondContact O-CG1 3.29Å; V20-I24 PolarHBondContact O-N 3.05Å
21	S	74.2	Confident	72.8	Confident	65 Å²	65	90.9 Å²	90.9	46%	0.455	55%	0.548	S	S	.	.	H	α-helix	trans	-60.2	-42.4	175.5	-176.2	0	0	0	0	112.3	V17 L18 I24 T25	V17-S21 WeakPolarHBondContact O-CB 3.44Å; V17-S21 PolarHBondContact O-N 2.94Å; L18-S21 PolarHBondContact O-N 3.33Å; S21-I24 PolarHBondContact O-N 2.87Å; S21-T25 WeakPolarHBondContact O-CB 3.32Å; S21-T25 PolarHBondContact O-N 3.05Å; S21-T25 PolarHBondContact O-OG1 2.95Å
22	A	79.8	Confident	74.4	Confident	53 Å²	53	92.2 Å²	92.2	44%	0.438	54%	0.54	S	S	.	.	H	α-helix	trans	-63.2	-46.5	175.3	0	0	0	0	0	112.1	L18 L19 V20 I24 T25 V26	L18-A22 WeakPolarHBondContact O-CB 3.47Å; L18-A22 PolarHBondContact O-N 3.15Å; L19-A22 PolarHBondContact O-N 3.31Å; V20-A22 VanDerWaalsContact C-N 3.35Å; V20-A22 PolarHBondContact O-N 3.5Å; A22-I24 PolarHBondContact O-N 2.87Å; A22-T25 PolarHBondContact O-N 3.09Å; A22-V26 WeakPolarHBondContact O-CG2 3.38Å; A22-V26 PolarHBondContact O-N 2.76Å
23	I	84.1	Confident	75.9	Confident	107 Å²	107	91.9 Å²	91.9	55%	0.549	53%	0.528	S	S	.	.	H	α-helix	trans	-59	-46.1	177.1	-71.4	169	0	0	0	111.1	L19 V20 T25 V26 S27	L19-I23 HydrophobicContact CD2-CD1 3.54Å; L19-I23 HydrophobicContact CD2-CG1 4.19Å; L19-I23 WeakPolarHBondContact O-CG1 3.28Å; L19-I23 PolarHBondContact O-N 3.15Å; V20-I23 PolarHBondContact O-N 2.65Å; I23-T25 VanDerWaalsContact C-N 3.35Å; I23-T25 PolarHBondContact O-N 3.07Å; I23-V26 PolarHBondContact O-N 2.97Å; I23-S27 VanDerWaalsContact O-CB 3.31Å; I23-S27 WeakPolarHBondContact O-CB 3.29Å; I23-S27 PolarHBondContact O-N 3.36Å
24	I	79.5	Confident	76.5	Confident	92 Å²	92	92.8 Å²	92.8	47%	0.472	53%	0.528	S	S	.	.	H	α-helix	trans	-62.2	-43.3	177.7	-68.9	168.2	0	0	0	110.7	V20 S21 A22 S27 L28	V20-I24 HydrophobicContact CG1-CD1 3.78Å; V20-I24 HydrophobicContact CG1-CG1 4.49Å; V20-I24 WeakPolarHBondContact O-CG1 3.29Å; V20-I24 PolarHBondContact O-N 3.05Å; S21-I24 PolarHBondContact O-N 2.87Å; A22-I24 PolarHBondContact O-N 2.87Å; I24-S27 PolarHBondContact O-N 3.38Å; I24-L28 HydrophobicContact CG2-CD1 3.81Å; I24-L28 HydrophobicContact CG2-CG 4.39Å; I24-L28 WeakPolarHBondContact O-CB 3.46Å; I24-L28 WeakPolarHBondContact O-CG 3.38Å; I24-L28 PolarHBondContact O-N 3.35Å
25	T	82.1	Confident	76.7	Confident	86 Å²	86	93.4 Å²	93.4	53%	0.528	53%	0.531	S	S	.	.	H	α-helix	trans	-65.7	-40.6	-180	-57.2	0	0	0	0	112.3	S21 A22 I23 S29	S21-T25 WeakPolarHBondContact O-CB 3.32Å; S21-T25 PolarHBondContact O-N 3.05Å; S21-T25 PolarHBondContact O-OG1 2.95Å; A22-T25 PolarHBondContact O-N 3.09Å; I23-T25 VanDerWaalsContact C-N 3.35Å; I23-T25 PolarHBondContact O-N 3.07Å; T25-S29 WeakPolarHBondContact O-CB 3.36Å; T25-S29 PolarHBondContact O-N 3.22Å; T25-S29 PolarHBondContact O-OG 2.81Å
26	V	84.7	Confident	77.5	Confident	90 Å²	90	85 Å²	85	55%	0.545	51%	0.512	S	S	.	.	H	α-helix	trans	-66.8	-44.8	174.4	172.7	0	0	0	0	110.8	A22 I23 L28 S29 V30	A22-V26 WeakPolarHBondContact O-CG2 3.38Å; A22-V26 PolarHBondContact O-N 2.76Å; I23-V26 PolarHBondContact O-N 2.97Å; V26-L28 PolarHBondContact O-N 3.24Å; V26-S29 WeakPolarHBondContact CA-OG 3.38Å; V26-S29 PolarHBondContact O-N 3.05Å; V26-S29 PolarHBondContact O-OG 3.26Å; V26-V30 HydrophobicContact CG1-CG2 4.38Å; V26-V30 WeakPolarHBondContact O-CB 3.4Å; V26-V30 VanDerWaalsContact O-CG2 3.32Å; V26-V30 WeakPolarHBondContact O-CG2 3.36Å; V26-V30 PolarHBondContact O-N 3.37Å
27	S	76.4	Confident	78.2	Confident	72 Å²	72	83.9 Å²	83.9	50%	0.503	51%	0.506	S	S	.	.	H	α-helix	trans	-61.3	-44.8	178.4	-174.8	0	0	0	0	112.6	I23 I24 T31	I23-S27 VanDerWaalsContact O-CB 3.31Å; I23-S27 WeakPolarHBondContact O-CB 3.29Å; I23-S27 PolarHBondContact O-N 3.36Å; I24-S27 PolarHBondContact O-N 3.38Å; S27-T31 WeakPolarHBondContact O-CB 3.3Å; S27-T31 PolarHBondContact O-N 3.39Å; S27-T31 PolarHBondContact O-OG1 2.98Å
28	L	77.6	Confident	78.1	Confident	107 Å²	107	83.4 Å²	83.4	56%	0.56	51%	0.505	S	S	*	.	H	α-helix	trans	-64.8	-44.9	176.3	-73.4	170.9	0	0	0	112.3	I24 V26 T31 V32	I24-L28 HydrophobicContact CG2-CD1 3.81Å; I24-L28 HydrophobicContact CG2-CG 4.39Å; I24-L28 WeakPolarHBondContact O-CB 3.46Å; I24-L28 WeakPolarHBondContact O-CG 3.38Å; I24-L28 PolarHBondContact O-N 3.35Å; V26-L28 PolarHBondContact O-N 3.24Å; L28-T31 WeakPolarHBondContact O-CB 3.48Å; L28-T31 PolarHBondContact O-N 2.88Å; L28-V32 WeakPolarHBondContact O-CG2 3.46Å; L28-V32 PolarHBondContact O-N 3.27Å
29	S	80.4	Confident	78.1	Confident	61 Å²	61	83 Å²	83	43%	0.427	50%	0.501	S	S	.	.	H	α-helix	trans	-66.5	-41.7	-179.9	52	0	0	0	0	112.6	T25 V26 T31 V32 V33	T25-S29 WeakPolarHBondContact O-CB 3.36Å; T25-S29 PolarHBondContact O-N 3.22Å; T25-S29 PolarHBondContact O-OG 2.81Å; V26-S29 WeakPolarHBondContact CA-OG 3.38Å; V26-S29 PolarHBondContact O-N 3.05Å; V26-S29 PolarHBondContact O-OG 3.26Å; S29-T31 VanDerWaalsContact C-N 3.32Å; S29-T31 PolarHBondContact O-N 3.1Å; S29-V32 PolarHBondContact O-N 2.85Å; S29-V33 WeakPolarHBondContact O-CG2 3.47Å; S29-V33 PolarHBondContact O-N 2.89Å
30	V	83.7	Confident	77.6	Confident	75 Å²	75	85.1 Å²	85.1	46%	0.455	50%	0.502	S	S	.	.	H	α-helix	trans	-59	-43.7	171.1	170	0	0	0	0	111.1	V26 V32 V33 L34	V26-V30 HydrophobicContact CG1-CG2 4.38Å; V26-V30 WeakPolarHBondContact O-CB 3.4Å; V26-V30 VanDerWaalsContact O-CG2 3.32Å; V26-V30 WeakPolarHBondContact O-CG2 3.36Å; V26-V30 PolarHBondContact O-N 3.37Å; V30-V32 PolarHBondContact O-N 3.09Å; V30-V33 PolarHBondContact O-N 2.86Å; V30-L34 HydrophobicContact CG1-CD1 3.84Å; V30-L34 HydrophobicContact CG1-CG 4.36Å; V30-L34 WeakPolarHBondContact O-CB 3.35Å; V30-L34 WeakPolarHBondContact O-CG 3.21Å; V30-L34 PolarHBondContact O-N 3.12Å
31	T	80.8	Confident	76.9	Confident	70 Å²	70	83.8 Å²	83.8	43%	0.429	50%	0.496	S	S	.	.	H	α-helix	trans	-61.9	-43.1	178	-58.7	0	0	0	0	112.1	S27 L28 S29 L34 C35	S27-T31 WeakPolarHBondContact O-CB 3.3Å; S27-T31 PolarHBondContact O-N 3.39Å; S27-T31 PolarHBondContact O-OG1 2.98Å; L28-T31 WeakPolarHBondContact O-CB 3.48Å; L28-T31 PolarHBondContact O-N 2.88Å; S29-T31 VanDerWaalsContact C-N 3.32Å; S29-T31 PolarHBondContact O-N 3.1Å; T31-L34 PolarHBondContact O-N 3.17Å; T31-C35 WeakPolarHBondContact O-CB 3.43Å; T31-C35 PolarHBondContact O-N 2.87Å; T31-C35 PolarHBondContact O-SG 2.75Å; T31-C35 VanDerWaalsContact O-SG 3.34Å
32	V	80.8	Confident	76.3	Confident	106 Å²	106	87 Å²	87	64%	0.642	50%	0.504	S	S	*	.	H	α-helix	trans	-64.5	-42	176.3	170.3	0	0	0	0	111.5	L28 S29 V30 C35 G36	L28-V32 WeakPolarHBondContact O-CG2 3.46Å; L28-V32 PolarHBondContact O-N 3.27Å; S29-V32 PolarHBondContact O-N 2.85Å; V30-V32 PolarHBondContact O-N 3.09Å; V32-C35 PolarHBondContact O-N 3.11Å; V32-G36 PolarHBondContact O-N 3.03Å
33	V	82.4	Confident	75.6	Confident	89 Å²	89	92.5 Å²	92.5	54%	0.539	51%	0.513	S	S	.	.	H	α-helix	trans	-63.9	-44.8	176.8	169.6	0	0	0	0	111.3	S29 V30 G36 L37	S29-V33 WeakPolarHBondContact O-CG2 3.47Å; S29-V33 PolarHBondContact O-N 2.89Å; V30-V33 PolarHBondContact O-N 2.86Å; V33-G36 PolarHBondContact O-N 3.1Å; V33-L37 HydrophobicContact CG1-CD1 3.92Å; V33-L37 HydrophobicContact CG1-CG 4.46Å; V33-L37 WeakPolarHBondContact O-CB 3.37Å; V33-L37 WeakPolarHBondContact O-CG 3.26Å; V33-L37 PolarHBondContact O-N 3.46Å
34	L	76	Confident	73.9	Confident	100 Å²	100	93 Å²	93	52%	0.524	51%	0.511	S	S	.	.	H	α-helix	trans	-61.9	-44.8	176	-72.8	170.6	0	0	0	112	V30 T31 G36 L37 C38	V30-L34 HydrophobicContact CG1-CD1 3.84Å; V30-L34 HydrophobicContact CG1-CG 4.36Å; V30-L34 WeakPolarHBondContact O-CB 3.35Å; V30-L34 WeakPolarHBondContact O-CG 3.21Å; V30-L34 PolarHBondContact O-N 3.12Å; T31-L34 PolarHBondContact O-N 3.17Å; L34-G36 VanDerWaalsContact C-N 3.35Å; L34-G36 PolarHBondContact O-N 2.91Å; L34-L37 PolarHBondContact O-N 2.8Å; L34-C38 WeakPolarHBondContact O-CB 3.33Å; L34-C38 PolarHBondContact O-N 2.93Å; L34-C38 PolarHBondContact O-SG 2.96Å; L34-C38 VanDerWaalsContact O-SG 3.32Å
35	C	74	Confident	72.5	Confident	82 Å²	82	94.3 Å²	94.3	55%	0.554	52%	0.518	S	S	*	.	H	α-helix	trans	-61.3	-41.7	174.3	-74.5	0	0	0	0	112.3	T31 V32 C38 H39	T31-C35 WeakPolarHBondContact O-CB 3.43Å; T31-C35 PolarHBondContact O-N 2.87Å; T31-C35 PolarHBondContact O-SG 2.75Å; T31-C35 VanDerWaalsContact O-SG 3.34Å; V32-C35 PolarHBondContact O-N 3.11Å; C35-C38 PolarHBondContact O-N 3.04Å; C35-H39 WeakPolarHBondContact O-CB 3.17Å; C35-H39 PolarHBondContact O-N 2.95Å
36	G	82	Confident	70.8	Confident	42 Å²	42	92.7 Å²	92.7	43%	0.433	52%	0.519	S	S	.	.	H	α-helix	trans	-61.3	-46.3	175	0	0	0	0	0	112.6	V32 V33 L34 H39 W40	V32-G36 PolarHBondContact O-N 3.03Å; V33-G36 PolarHBondContact O-N 3.1Å; L34-G36 VanDerWaalsContact C-N 3.35Å; L34-G36 PolarHBondContact O-N 2.91Å; G36-H39 PolarHBondContact O-N 2.83Å; G36-W40 WeakPolarHBondContact O-CB 3.48Å; G36-W40 PolarHBondContact O-N 2.88Å
37	L	74.2	Confident	68.6	Low	91 Å²	91	97.1 Å²	97.1	48%	0.476	53%	0.531	S	S	.	.	H	α-helix	trans	-62.8	-45	175.5	-73.9	168.3	0	0	0	111.9	V33 L34 H39 W40 C41	V33-L37 HydrophobicContact CG1-CD1 3.92Å; V33-L37 HydrophobicContact CG1-CG 4.46Å; V33-L37 WeakPolarHBondContact O-CB 3.37Å; V33-L37 WeakPolarHBondContact O-CG 3.26Å; V33-L37 PolarHBondContact O-N 3.46Å; L34-L37 PolarHBondContact O-N 2.8Å; L37-H39 PolarHBondContact O-N 2.91Å; L37-W40 PolarHBondContact O-N 2.92Å; L37-C41 WeakPolarHBondContact O-CB 3.41Å; L37-C41 PolarHBondContact O-N 2.78Å; L37-C41 PolarHBondContact O-SG 2.88Å; L37-C41 VanDerWaalsContact O-SG 3.37Å
38	C	65.9	Low	66.8	Low	76 Å²	76	103.7 Å²	103.7	51%	0.514	54%	0.544	S	S	.	.	H	α-helix	trans	-58.8	-46	175.2	-73.9	0	0	0	0	111.9	L34 C35 C41 Q42	L34-C38 WeakPolarHBondContact O-CB 3.33Å; L34-C38 PolarHBondContact O-N 2.93Å; L34-C38 PolarHBondContact O-SG 2.96Å; L34-C38 VanDerWaalsContact O-SG 3.32Å; C35-C38 PolarHBondContact O-N 3.04Å; C38-C41 PolarHBondContact O-N 3.3Å; C38-Q42 WeakPolarHBondContact O-CG 3.44Å; C38-Q42 PolarHBondContact O-N 3.48Å
39	H	70.9	Confident	64.8	Low	93 Å²	93	109.2 Å²	109.2	43%	0.431	56%	0.56	S	S	.	*	H	α-helix	trans	-70.5	-33.2	-179.9	-168.7	-142.6	0	0	0	112.5	C35 G36 L37 R43	C35-H39 WeakPolarHBondContact O-CB 3.17Å; C35-H39 PolarHBondContact O-N 2.95Å; G36-H39 PolarHBondContact O-N 2.83Å; L37-H39 PolarHBondContact O-N 2.91Å; H39-R43 PolarHBondContact CE1-NE 3.02Å; H39-R43 PolarHBondContact CE1-NH2 2.7Å; H39-R43 VanDerWaalsContact CE1-NH2 3.33Å; H39-R43 PolarHBondContact NE2-NE 2.68Å; H39-R43 WeakPolarHBondContact O-CB 3.46Å; H39-R43 WeakPolarHBondContact O-CG 3.48Å; H39-R43 PolarHBondContact O-N 2.85Å
40	W	65.8	Low	62.6	Low	146 Å²	146	114.8 Å²	114.8	55%	0.553	58%	0.576	S	S	*	*	H	α-helix	trans	-65.6	-46.4	170.6	-176.4	82	0	0	0	111.8	G36 L37 Q42 R43 K44	G36-W40 WeakPolarHBondContact O-CB 3.48Å; G36-W40 PolarHBondContact O-N 2.88Å; L37-W40 PolarHBondContact O-N 2.92Å; W40-Q42 PolarHBondContact O-N 2.94Å; W40-R43 PolarHBondContact O-N 2.79Å; W40-K44 HydrophobicContact CD2-CD 4.47Å; W40-K44 HydrophobicContact CE3-CD 4.39Å; W40-K44 HydrophobicContact CH2-CD 3.91Å; W40-K44 HydrophobicContact CZ2-CD 3.92Å; W40-K44 HydrophobicContact CZ3-CD 4.11Å; W40-K44 WeakPolarHBondContact O-CB 3.46Å; W40-K44 PolarHBondContact O-N 3Å
41	C	60.5	Low	60.3	Low	57 Å²	57	119 Å²	119	39%	0.385	60%	0.596	S	S	.	*	H	α-helix	trans	-60.3	-43.4	175.2	-75.7	0	0	0	0	111.9	L37 C38 R43 K44 L45	L37-C41 WeakPolarHBondContact O-CB 3.41Å; L37-C41 PolarHBondContact O-N 2.78Å; L37-C41 PolarHBondContact O-SG 2.88Å; L37-C41 VanDerWaalsContact O-SG 3.37Å; C38-C41 PolarHBondContact O-N 3.3Å; C41-R43 PolarHBondContact O-N 3.24Å; C41-K44 PolarHBondContact O-N 2.79Å; C41-L45 WeakPolarHBondContact O-CB 3.08Å; C41-L45 WeakPolarHBondContact O-CG 3.07Å; C41-L45 PolarHBondContact O-N 2.91Å
42	Q	61.7	Low	58.2	Low	133 Å²	133	121.2 Å²	121.2	62%	0.621	61%	0.614	S	S	*	*	H	α-helix	trans	-59	-45.3	173.1	-74.9	174.7	0.3	0	0	112	C38 W40 K44 G46	C38-Q42 WeakPolarHBondContact O-CG 3.44Å; C38-Q42 PolarHBondContact O-N 3.48Å; W40-Q42 PolarHBondContact O-N 2.94Å; Q42-K44 PolarHBondContact O-N 2.92Å; Q42-G46 PolarHBondContact O-N 2.88Å
43	R	63.3	Low	55.8	Low	168 Å²	168	124 Å²	124	63%	0.634	63%	0.625	S	S	*	*	H	α-helix	trans	-66.3	-32.6	176.3	-74.2	174.9	174.5	-162.3	-6.3	113.3	H39 W40 C41	H39-R43 PolarHBondContact CE1-NE 3.02Å; H39-R43 PolarHBondContact CE1-NH2 2.7Å; H39-R43 VanDerWaalsContact CE1-NH2 3.33Å; H39-R43 PolarHBondContact NE2-NE 2.68Å; H39-R43 WeakPolarHBondContact O-CB 3.46Å; H39-R43 WeakPolarHBondContact O-CG 3.48Å; H39-R43 PolarHBondContact O-N 2.85Å; W40-R43 PolarHBondContact O-N 2.79Å; C41-R43 PolarHBondContact O-N 3.24Å
44	K	49.6	Very low	53.5	Low	117 Å²	117	128.4 Å²	128.4	51%	0.509	64%	0.639	S	S	.	*	H	α-helix	trans	-80.6	-35.3	-178.9	-156.5	173.8	-170.9	179.4	0	112.5	W40 C41 Q42	W40-K44 HydrophobicContact CD2-CD 4.47Å; W40-K44 HydrophobicContact CE3-CD 4.39Å; W40-K44 HydrophobicContact CH2-CD 3.91Å; W40-K44 HydrophobicContact CZ2-CD 3.92Å; W40-K44 HydrophobicContact CZ3-CD 4.11Å; W40-K44 WeakPolarHBondContact O-CB 3.46Å; W40-K44 PolarHBondContact O-N 3Å; C41-K44 PolarHBondContact O-N 2.79Å; Q42-K44 PolarHBondContact O-N 2.92Å
45	L	49.2	Very low	51.4	Low	119 Å²	119	129.9 Å²	129.9	62%	0.623	65%	0.653	S	S	*	*	H	α-helix	trans	-76.2	-42.6	173.5	-70.7	167	0	0	0	111.9	C41 K47 R48	C41-L45 WeakPolarHBondContact O-CB 3.08Å; C41-L45 WeakPolarHBondContact O-CG 3.07Å; C41-L45 PolarHBondContact O-N 2.91Å; L45-K47 PolarHBondContact O-N 2.99Å; L45-K47 VanDerWaalsContact O-N 3.08Å; L45-R48 PolarHBondContact O-N 3.33Å
46	G	46.1	Very low	49.5	Very low	52 Å²	52	133 Å²	133	54%	0.536	67%	0.669	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.6	-17.6	179	0	0	0	0	0	114.8	Q42	Q42-G46 PolarHBondContact O-N 2.88Å
47	K	40.4	Very low	47	Very low	183 Å²	183	134.4 Å²	134.4	80%	0.796	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-9.7	173.5	-75.7	-171.6	173.6	-169	0	115	L45	L45-K47 PolarHBondContact O-N 2.99Å; L45-K47 VanDerWaalsContact O-N 3.08Å
48	R	38.3	Very low	44.9	Very low	210 Å²	210	136.7 Å²	136.7	79%	0.792	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-18.2	175.8	-71.5	-165.2	-178.1	-169.2	1.6	114.2	L45	L45-R48 PolarHBondContact O-N 3.33Å
49	Y	35.3	Very low	44.4	Very low	224 Å²	224	138.2 Å²	138.2	88%	0.878	71%	0.71	S	S	*	*	S	Bend	trans	-101.4	21.9	-173.3	-110.4	-85.4	0	0	0	114.7
50	K	34.5	Very low	42.3	Very low	177 Å²	177	140.7 Å²	140.7	77%	0.77	73%	0.727	S	S	*	*	S	Bend	trans	-131.1	88.1	168.1	-75.2	-167.4	172.4	-166.9	0	109.3
51	N	35.8	Very low	40.6	Very low	164 Å²	164	138.9 Å²	138.9	88%	0.877	74%	0.737	S	S	*	*	S	Bend	trans	168.2	72.8	153.1	-88.2	2	0	0	0	110
52	S	35.3	Very low	39.1	Very low	116 Å²	116	139.6 Å²	139.6	81%	0.811	75%	0.754	S	S	*	*			trans	-168.1	139.8	163.1	-110.9	0	0	0	0	109.9
53	L	31.5	Very low	37.7	Very low	166 Å²	166	145.3 Å²	145.3	87%	0.869	77%	0.769	S	S	*	*			trans	59.4	137.4	-161.7	-83.9	57.7	0	0	0	112.3
54	E	33.1	Very low	36	Very low	180 Å²	180	141.1 Å²	141.1	84%	0.841	78%	0.778	S	S	*	*			cis	-118.3	174.1	4.1	-58.5	173.6	140.1	0	0	108.6
55	T	31.8	Very low	35	Very low	131 Å²	131	147 Å²	147	80%	0.804	80%	0.798	S	S	*	*			cis	-144.8	171.1	26.1	49.8	0	0	0	0	112.3
56	V	33.9	Very low	34.1	Very low	148 Å²	148	145.7 Å²	145.7	90%	0.897	80%	0.798	S	S	*	*			trans	-111.5	134.8	169.5	173.7	0	0	0	0	109.7
57	G	29.8	Very low	33.5	Very low	72 Å²	72	150.4 Å²	150.4	74%	0.742	81%	0.806	S	S	*	*			trans	-161.3	138.6	171.5	0	0	0	0	0	109.5
58	T	31.4	Very low	33.1	Very low	138 Å²	138	150.7 Å²	150.7	85%	0.847	81%	0.807	S	S	*	*			trans	-100.7	-178.2	-162.6	-9.6	0	0	0	0	112.9
59	P	53.7	Low	32.8	Very low	108 Å²	108	150.1 Å²	150.1	70%	0.701	81%	0.811	S	S	*	*				-97.3	167.3	-128.4	42.9	-33.6	0	0	0	114.2
60	D	26.8	Very low	32.6	Very low	146 Å²	146	143.8 Å²	143.8	78%	0.781	81%	0.805	S	S	*	*				-172.9	168.3	106.4	-134.5	-58.5	0	0	0	113.3
61	S	31.3	Very low	32.5	Very low	108 Å²	108	142.4 Å²	142.4	76%	0.755	81%	0.805	S	S	*	*			trans	57.4	113.5	147.2	-69.9	0	0	0	0	122.3
62	G	29.5	Very low	32.1	Very low	72 Å²	72	140.6 Å²	140.6	74%	0.742	80%	0.795	S	S	*	*				107.7	108.9	120.1	0	0	0	0	0	121
63	R	30.5	Very low	31.8	Very low	252 Å²	252	141.4 Å²	141.4	95%	0.951	79%	0.79	S	S	*	*			trans	43.4	96.5	139.9	-62	178.7	174.6	174.6	-1.8	120.5
64	G	28.6	Very low	31.8	Very low	80 Å²	80	142.1 Å²	142.1	83%	0.825	79%	0.794	S	S	*	*				84.3	146.1	104.9	0	0	0	0	0	123.2
65	R	29.3	Very low	31.9	Very low	241 Å²	241	138.8 Å²	138.8	91%	0.909	78%	0.782	S	S	*	*			trans	72.8	96.6	141.9	-162.5	177.1	-174.1	168	2.9	121.6
66	S	30.1	Very low	31.8	Very low	91 Å²	91	141.1 Å²	141.1	64%	0.636	78%	0.776	S	S	*	*				75.5	149	127	-137	0	0	0	0	123.8
67	E	32.2	Very low	31.7	Very low	151 Å²	151	140.1 Å²	140.1	71%	0.706	77%	0.766	S	S	*	*			trans	64.5	107.2	147.2	-79	155.4	123.4	0	0	124.9
68	K	32.7	Very low	31.5	Very low	189 Å²	189	145.8 Å²	145.8	82%	0.822	77%	0.77	S	S	*	*				44.3	140.1	114.1	-69.8	178.6	179.5	168.7	0	122.4
69	K	32.6	Very low	31.4	Very low	198 Å²	198	150.4 Å²	150.4	86%	0.861	77%	0.772	S	S	*	*			trans	73.2	109.6	161.2	-68	-178.9	172.8	-174.7	0	116
70	A	30.1	Very low	30	Very low	92 Å²	92	151.3 Å²	151.3	76%	0.76	77%	0.771	S	S	*	*				77.2	141.3	60.6	0	0	0	0	0	115.7
71	I	32.6	Very low	30	Very low	148 Å²	148	152 Å²	152	76%	0.759	78%	0.775	S	S	*	*			trans	90.1	117.6	158.8	-73.4	166.2	0	0	0	118.4
72	N	27.9	Very low	29.9	Very low	125 Å²	125	153.4 Å²	153.4	67%	0.668	77%	0.774	S	S	*	*			trans	58.9	165.6	152.2	-63.4	34.3	0	0	0	118.8
73	D	28.9	Very low	29.7	Very low	134 Å²	134	158.8 Å²	158.8	72%	0.717	78%	0.78	S	S	*	*			cis	-159.4	152.9	-34.9	-96.3	-21.7	0	0	0	105.6
74	L	31.4	Very low	29.6	Very low	180 Å²	180	151 Å²	151	94%	0.942	76%	0.763	S	S	*	*			trans	-149.4	130.9	151	-120.3	162.3	0	0	0	109.7
75	D	34.3	Very low	29.8	Very low	111 Å²	111	153.2 Å²	153.2	59%	0.594	76%	0.761	S	S	*	*			trans	-86.1	159	-157.7	-159	16.3	0	0	0	112.6
76	R	29.3	Very low	29.7	Very low	180 Å²	180	147.9 Å²	147.9	68%	0.679	76%	0.755	S	S	*	*			trans	30.5	117	137.8	-179.8	-172.6	80.9	-142	12.1	117.5
77	D	32.5	Very low	29.5	Very low	127 Å²	127	151 Å²	151	68%	0.679	76%	0.76	S	S	*	*				-160.9	161.3	105.5	-118.6	-38.8	0	0	0	118.2
78	F	26.5	Very low	29.4	Very low	191 Å²	191	151.1 Å²	151.1	84%	0.838	76%	0.76	S	S	*	*			trans	67.6	109.6	165.2	-85.9	-112.9	0	0	0	121.6
79	W	27.6	Very low	29.2	Very low	235 Å²	235	149.2 Å²	149.2	89%	0.89	75%	0.752	S	S	*	*			trans	-84.5	173.4	169.6	-101.7	84.2	0	0	0	113.7
80	N	26.2	Very low	28.8	Very low	127 Å²	127	151.6 Å²	151.6	68%	0.679	76%	0.756	S	S	*	*			trans	83.7	137.6	165.4	-60	-26.1	0	0	0	116.4
81	N	24.9	Very low	28.7	Very low	160 Å²	160	150.8 Å²	150.8	86%	0.856	75%	0.745	S	S	*	*			cis	-136.1	170	27.7	-105.2	-50.2	0	0	0	115.9
82	N	30.1	Very low	28.4	Very low	137 Å²	137	149.6 Å²	149.6	73%	0.733	75%	0.749	S	S	*	*			trans	-115.2	141.2	175	151	96.3	0	0	0	110
83	E	26.1	Very low	28.5	Very low	186 Å²	186	154.4 Å²	154.4	87%	0.869	76%	0.76	S	S	*	*			trans	-156.1	171.6	151	-129.7	-171.5	164.4	0	0	114.7
84	S	26.9	Very low	29.6	Very low	87 Å²	87	153.3 Å²	153.3	61%	0.608	76%	0.76	S	S	*	*			trans	-131	151.6	-167.8	55.1	0	0	0	0	112.7
85	T	32.7	Very low	30.5	Very low	127 Å²	127	149.4 Å²	149.4	78%	0.779	75%	0.745	S	S	*	*			trans	17.8	115.4	155.6	56.4	0	0	0	0	119.7
86	V	27.9	Very low	30.4	Very low	130 Å²	130	152.8 Å²	152.8	79%	0.788	76%	0.755	S	S	*	*				173.6	129.5	120.2	148.5	0	0	0	0	113.8
87	Q	26.8	Very low	30.6	Very low	155 Å²	155	150.6 Å²	150.6	72%	0.724	75%	0.752	S	S	*	*			trans	24.7	153.9	152.5	-51.8	-175.3	-8.1	0	0	125.7
88	Q	30.3	Very low	30.6	Very low	154 Å²	154	152.7 Å²	152.7	72%	0.72	76%	0.756	S	S	*	*			trans	89	146.8	149.9	-56.4	-139.3	29.5	0	0	118.6
89	K	26.8	Very low	30.8	Very low	150 Å²	150	149.9 Å²	149.9	65%	0.652	75%	0.748	S	S	*	*			cis	-174.4	126.9	-18.9	161.4	-174	162	-167	0	110.8
90	W	25.5	Very low	31	Very low	248 Å²	248	145.6 Å²	145.6	94%	0.939	74%	0.742	S	S	*	*			trans	-156.7	104.6	147.6	-71.1	96.5	0	0	0	106.3
91	S	26.6	Very low	31	Very low	75 Å²	75	145.3 Å²	145.3	52%	0.524	74%	0.74	S	S	.	*				72.8	87.2	58.6	77.2	0	0	0	0	115.8
92	S	27	Very low	31.1	Very low	122 Å²	122	144.4 Å²	144.4	85%	0.853	73%	0.734	S	S	*	*			trans	-167.4	145.3	130.6	-83.3	0	0	0	0	114
93	Y	30	Very low	31.1	Very low	227 Å²	227	143.1 Å²	143.1	89%	0.89	74%	0.735	S	S	*	*			trans	-179.2	169.2	-179.3	-105.3	-69.1	0	0	0	104.7
94	P	51	Low	32.4	Very low	110 Å²	110	139.6 Å²	139.6	71%	0.714	73%	0.728	S	S	*	*			cis	-128.7	-117.1	-0.1	25.3	2	0	0	0	116.2
95	P	51.6	Low	32.5	Very low	98 Å²	98	146.9 Å²	146.9	64%	0.636	74%	0.744	S	S	*	*				-127.8	-178.1	-104.2	40.2	-23.4	0	0	0	117.2
96	K	32.3	Very low	32.5	Very low	183 Å²	183	144.8 Å²	144.8	80%	0.796	74%	0.74	S	S	*	*			trans	19	166.4	136.1	-48.6	169.6	176.7	-179.5	0	120.8
97	E	34	Very low	33.1	Very low	134 Å²	134	144.8 Å²	144.8	63%	0.626	74%	0.742	S	S	*	*			cis	-158.6	-176.6	41.8	-64.5	-169.2	128	0	0	114.6
98	F	31.2	Very low	33.3	Very low	171 Å²	171	148.7 Å²	148.7	75%	0.75	75%	0.752	S	S	*	*			trans	90.2	142.4	157.3	-55.1	-32.3	0	0	0	119.8
99	I	30.2	Very low	33.2	Very low	131 Å²	131	144.8 Å²	144.8	67%	0.672	75%	0.753	S	S	*	*			cis	-162	134.9	-27.8	-127.8	172.1	0	0	0	112
100	L	33.1	Very low	33.4	Very low	146 Å²	146	143.9 Å²	143.9	76%	0.764	76%	0.755	S	S	*	*			trans	53	173.3	158.3	-56.1	170.9	0	0	0	118.6
101	N	25.4	Very low	34.3	Very low	121 Å²	121	137.5 Å²	137.5	65%	0.647	75%	0.746	S	S	*	*			cis	-154.2	169.7	-2.3	-143.2	-8.6	0	0	0	112.9
102	I	27.9	Very low	34.4	Very low	141 Å²	141	144 Å²	144	72%	0.723	76%	0.759	S	S	*	*			trans	63.8	126.4	152.2	-66.4	155.5	0	0	0	120.9
103	S	29.3	Very low	34.5	Very low	109 Å²	109	144.9 Å²	144.9	76%	0.762	75%	0.753	S	S	*	*			trans	-120.6	173.2	148.1	-51	0	0	0	0	108
104	P	54.1	Low	34.5	Very low	112 Å²	112	139.4 Å²	139.4	73%	0.727	75%	0.749	S	S	*	*			cis	-127.4	174.8	-22.2	40.2	-26.5	0	0	0	112.8
105	Y	28.1	Very low	33.5	Very low	241 Å²	241	140.9 Å²	140.9	95%	0.945	75%	0.749	S	S	*	*			trans	-169.9	167.1	143	-112.6	-74.3	0	0	0	111.4
106	A	33.2	Very low	32.5	Very low	83 Å²	83	143.2 Å²	143.2	69%	0.686	76%	0.757	S	S	*	*			trans	-98.1	175.5	177.6	0	0	0	0	0	112.3
107	P	40.8	Very low	32.2	Very low	129 Å²	129	137.5 Å²	137.5	84%	0.838	75%	0.749	S	S	*	*				-147.3	-171.6	97.2	41	-24.8	0	0	0	116
108	Y	31.9	Very low	32.2	Very low	238 Å²	238	137.1 Å²	137.1	93%	0.933	76%	0.756	S	S	*	*			trans	-94.3	164.2	178.7	-115.3	-108	0	0	0	112.8
109	G	28.1	Very low	32.3	Very low	71 Å²	71	136 Å²	136	73%	0.732	76%	0.758	S	S	*	*			trans	88.3	157.4	163.3	0	0	0	0	0	116
110	D	30.9	Very low	32.4	Very low	132 Å²	132	136.7 Å²	136.7	71%	0.706	76%	0.762	S	S	*	*			cis	-155.5	145.4	-11.2	-172.5	59.5	0	0	0	109
111	P	42.8	Very low	32.3	Very low	114 Å²	114	134.8 Å²	134.8	74%	0.74	76%	0.761	S	S	*	*			trans	-99.1	113.1	-166.8	35	-29.6	0	0	0	114.8
112	R	29.6	Very low	32.5	Very low	210 Å²	210	132.5 Å²	132.5	79%	0.792	77%	0.766	S	S	*	*			trans	-142.6	146.3	167.1	-48.6	-179.6	90.2	102.8	-5.1	107.5
113	L	30.1	Very low	32.6	Very low	141 Å²	141	130.9 Å²	130.9	74%	0.738	77%	0.774	S	S	*	*			cis	-144.8	135.2	26.1	-71.5	159.3	0	0	0	113.5
114	S	28.3	Very low	32.7	Very low	113 Å²	113	135.7 Å²	135.7	79%	0.79	78%	0.781	S	S	*	*			trans	175.4	117.8	134.1	36.9	0	0	0	0	107
115	L	31.4	Very low	31.5	Very low	140 Å²	140	137.2 Å²	137.2	73%	0.733	79%	0.787	S	S	*	*				48.7	114.5	72.9	-79.2	83	0	0	0	111.6
116	N	29	Very low	31.6	Very low	148 Å²	148	130.5 Å²	130.5	79%	0.791	78%	0.782	S	S	*	*			cis	-144.4	160.3	16.8	-76.6	-41.2	0	0	0	113.3
117	G	27.6	Very low	31.6	Very low	62 Å²	62	131.6 Å²	131.6	64%	0.639	79%	0.791	S	S	*	*			trans	-100.5	-164.4	152.5	0	0	0	0	0	111
118	T	33.4	Very low	31.2	Very low	126 Å²	126	130.4 Å²	130.4	77%	0.773	79%	0.792	S	S	*	*			cis	-168.9	170.6	6.7	-19.7	0	0	0	0	110.4
119	L	32.5	Very low	31.2	Very low	148 Å²	148	124.2 Å²	124.2	78%	0.775	79%	0.79	S	S	*	*			trans	71.2	150.5	155	-66.9	165.2	0	0	0	116.3
120	L	33.7	Very low	31.2	Very low	146 Å²	146	124.1 Å²	124.1	76%	0.764	79%	0.789	S	S	*	*			cis	-152.8	165.1	2	-105.5	153.4	0	0	0	106.7
121	S	31.3	Very low	31.2	Very low	105 Å²	105	126.6 Å²	126.6	73%	0.734	80%	0.801	S	S	*	*			cis	-160.9	174.1	-4.1	-162.1	0	0	0	0	110.3
122	G	27.7	Very low	30.6	Very low	73 Å²	73	125.3 Å²	125.3	75%	0.753	80%	0.801	S	S	*	*			trans	85.3	134.1	155.7	0	0	0	0	0	117.2
123	A	30.3	Very low	30.7	Very low	108 Å²	108	121.8 Å²	121.8	89%	0.893	80%	0.802	S	S	*	*			cis	-146.5	162.6	-11.4	0	0	0	0	0	109.8
124	K	31.8	Very low	30.6	Very low	210 Å²	210	121.8 Å²	121.8	91%	0.913	80%	0.798	S	S	*	*			trans	-128.8	134.6	-178.9	-136	-177	-172.4	-177.4	0	109.4
125	V	29.5	Very low	30.8	Very low	143 Å²	143	124.7 Å²	124.7	87%	0.867	79%	0.792	S	S	*	*			trans	-124.7	132.2	170	179	0	0	0	0	108.7
126	A	30.9	Very low	30.6	Very low	100 Å²	100	125.8 Å²	125.8	83%	0.826	79%	0.793	S	S	*	*			trans	-139.5	141.3	165	0	0	0	0	0	107
127	A	32	Very low	30.6	Very low	106 Å²	106	122.6 Å²	122.6	88%	0.876	80%	0.796	S	S	*	*			trans	-96.9	148	-167.2	0	0	0	0	0	113.6
128	A	31.8	Very low	30.8	Very low	105 Å²	105	130.8 Å²	130.8	87%	0.868	81%	0.807	S	S	*	*			trans	-152.2	166.2	167.2	0	0	0	0	0	110.7
129	A	31.9	Very low	30.6	Very low	108 Å²	108	132.6 Å²	132.6	89%	0.893	81%	0.812	S	S	*	*			trans	-65.3	168.7	-173.2	0	0	0	0	0	115.3
130	G	28.2	Very low	30.5	Very low	69 Å²	69	129 Å²	129	71%	0.711	81%	0.81	S	S	*	*			cis	158.1	-166.9	-3.3	0	0	0	0	0	113.3
131	L	31.4	Very low	30.3	Very low	183 Å²	183	131.9 Å²	131.9	96%	0.958	82%	0.82	S	S	*	*			trans	77	115.4	170.6	-67.5	168.1	0	0	0	121.6
132	A	29.7	Very low	30.4	Very low	88 Å²	88	136.1 Å²	136.1	73%	0.727	83%	0.825	S	S	*	*			trans	171.5	119.7	133.8	0	0	0	0	0	109
133	V	31.6	Very low	31.6	Very low	135 Å²	135	137.4 Å²	137.4	82%	0.818	82%	0.82	S	S	*	*				66.5	120.6	75.4	168.5	0	0	0	0	111.2
134	E	29.1	Very low	31.9	Very low	142 Å²	142	136.5 Å²	136.5	66%	0.664	81%	0.812	S	S	*	*			cis	-162.3	169	1.8	-89	-91.1	80.1	0	0	106
135	R	31.3	Very low	32.9	Very low	173 Å²	173	132 Å²	132	65%	0.653	81%	0.805	S	S	*	*			cis	175.9	163.4	-13.4	167.4	173.6	145	-158	-11.8	112.9
136	E	28.2	Very low	33.4	Very low	163 Å²	163	131.4 Å²	131.4	76%	0.762	80%	0.801	S	S	*	*			trans	63.8	155.5	165.3	-86.8	177.5	89.2	0	0	119.7
137	G	28.8	Very low	34.5	Very low	82 Å²	82	132.3 Å²	132.3	85%	0.845	80%	0.798	S	S	*	*			trans	141.3	114.8	168.5	0	0	0	0	0	116.8
138	R	31.2	Very low	36.1	Very low	233 Å²	233	132.6 Å²	132.6	88%	0.879	79%	0.791	S	S	*	*			trans	-99.6	154.9	-179.3	-92.8	177.3	160.6	-169.2	-3.6	113.5
139	L	29.8	Very low	37.2	Very low	165 Å²	165	133.4 Å²	133.4	86%	0.864	79%	0.788	S	S	*	*			trans	48.6	145.9	148.9	-82.9	83.6	0	0	0	121.1
140	G	29.9	Very low	37.3	Very low	72 Å²	72	131.5 Å²	131.5	74%	0.742	78%	0.778	S	S	*	*			trans	165.5	73.2	161.8	0	0	0	0	0	120
141	E	30.1	Very low	37.8	Very low	207 Å²	207	136 Å²	136	97%	0.967	78%	0.781	S	S	*	*			trans	54.9	-179.8	142.8	-61.3	-165.1	84.5	0	0	124
142	K	33.8	Very low	37.9	Very low	194 Å²	194	134.7 Å²	134.7	84%	0.843	78%	0.775	S	S	*	*			trans	-128.2	-166.2	-171.1	-138.6	-172.1	170	-176.5	0	106.4
143	P	51.3	Low	38.2	Very low	100 Å²	100	133.9 Å²	133.9	65%	0.649	77%	0.768	S	S	*	*			cis	-142.7	166.1	-12	41.1	-22.2	0	0	0	119.2
144	A	37.6	Very low	38.5	Very low	89 Å²	89	134.5 Å²	134.5	74%	0.736	77%	0.766	S	S	*	*			trans	58.3	179.8	144.1	0	0	0	0	0	119.6
145	P	52.4	Low	38.7	Very low	115 Å²	115	138.2 Å²	138.2	75%	0.747	77%	0.774	S	S	*	*			cis	-107.1	166.1	-17.1	9.9	15.7	0	0	0	113
146	V	40.9	Very low	38.9	Very low	130 Å²	130	134.9 Å²	134.9	79%	0.788	78%	0.777	S	S	*	*			cis	83.9	130.9	40.2	169.2	0	0	0	0	113.1
147	P	53.9	Low	39	Very low	119 Å²	119	131.2 Å²	131.2	77%	0.773	78%	0.783	S	S	*	*			cis	-138.3	-134.6	-6.2	47.7	-25.9	0	0	0	115.5
148	P	65.6	Low	39	Very low	112 Å²	112	130.8 Å²	130.8	73%	0.727	78%	0.779	S	S	*	*			trans	-113.3	-128.8	-150.9	37.1	-9	0	0	0	112.3
149	P	55.1	Low	39	Very low	123 Å²	123	124.9 Å²	124.9	80%	0.799	78%	0.78	S	S	*	*			cis	-97.1	-153.7	11.4	44.8	-40	0	0	0	112.5
150	G	32.9	Very low	39.3	Very low	67 Å²	67	121.4 Å²	121.4	69%	0.691	78%	0.775	S	S	*	*			cis	-167.2	-173.1	3.9	0	0	0	0	0	113.7
151	E	38.8	Very low	40.2	Very low	164 Å²	164	123.6 Å²	123.6	77%	0.766	78%	0.776	S	S	*	*			trans	-116.9	174.9	-152.9	60.8	-96.8	68.1	0	0	119
152	D	34.5	Very low	40.3	Very low	156 Å²	156	119.4 Å²	119.4	83%	0.834	77%	0.769	S	S	*	*			trans	66.4	162.1	155.9	-77.5	-0.5	0	0	0	121.5
153	A	35.3	Very low	40.4	Very low	71 Å²	71	118.9 Å²	118.9	59%	0.587	77%	0.77	S	S	*	*			cis	-170.6	172.4	-33.2	0	0	0	0	0	111.7
154	L	37.6	Very low	40.4	Very low	147 Å²	147	120.3 Å²	120.3	77%	0.77	78%	0.78	S	S	*	*			trans	77.4	139.3	151.3	-107.3	71.4	0	0	0	122.8
155	R	33.5	Very low	40.1	Very low	221 Å²	221	119.2 Å²	119.2	83%	0.834	78%	0.777	S	S	*	*			trans	73.2	156.2	147.1	-74.7	-175.6	177.9	-164.2	-0.3	121.4
156	S	35.9	Very low	39.2	Very low	102 Å²	102	119.3 Å²	119.3	71%	0.713	78%	0.78	S	S	*	*			cis	-178.8	141.6	-39.5	51.3	0	0	0	0	111.7
157	G	29.8	Very low	38.7	Very low	86 Å²	86	118.8 Å²	118.8	89%	0.887	78%	0.782	S	S	*	*			trans	93.4	159.5	166.1	0	0	0	0	0	115.1
158	G	29.4	Very low	37.6	Very low	74 Å²	74	116.8 Å²	116.8	76%	0.763	78%	0.783	S	S	*	*			cis	168.1	162.3	-5.6	0	0	0	0	0	112.9
159	A	30.8	Very low	36.1	Very low	109 Å²	109	121.3 Å²	121.3	90%	0.901	79%	0.791	S	S	*	*			trans	70.9	121.8	173.1	0	0	0	0	0	119.5
160	A	35.6	Very low	35	Very low	92 Å²	92	120.6 Å²	120.6	76%	0.76	80%	0.796	S	S	*	*			trans	-97.6	-163.1	146.8	0	0	0	0	0	107.3
161	P	49.5	Very low	34.7	Very low	118 Å²	118	121.2 Å²	121.2	77%	0.766	80%	0.803	S	S	*	*			cis	-138.3	179.3	-2.7	43.5	-26.5	0	0	0	115.5
162	S	32.9	Very low	34.3	Very low	118 Å²	118	125.9 Å²	125.9	83%	0.825	81%	0.813	S	S	*	*			trans	173.1	137	130.7	43.7	0	0	0	0	113.5
163	E	35.3	Very low	33.9	Very low	183 Å²	183	121.3 Å²	121.3	86%	0.855	80%	0.803	S	S	*	*			trans	-105.7	166.3	148.3	-69	-161.5	149.9	0	0	108.5
164	P	50.5	Low	33.5	Very low	131 Å²	131	128.7 Å²	128.7	85%	0.851	82%	0.816	S	S	*	*				-152.4	158.9	97.6	38.3	-21.3	0	0	0	117.2
165	G	31.9	Very low	33	Very low	66 Å²	66	133.2 Å²	133.2	68%	0.68	82%	0.823	S	S	*	*				114	80.3	124.5	0	0	0	0	0	122.5
166	S	33.5	Very low	32.5	Very low	116 Å²	116	132.8 Å²	132.8	81%	0.811	82%	0.821	S	S	*	*				66.3	137.3	127.4	-157.3	0	0	0	0	124.6
167	S	31	Very low	32.3	Very low	120 Å²	120	133.5 Å²	133.5	84%	0.839	82%	0.821	S	S	*	*			trans	85.3	151.3	148.2	83.3	0	0	0	0	121.1
168	G	30.2	Very low	32.1	Very low	76 Å²	76	136.4 Å²	136.4	78%	0.784	82%	0.822	S	S	*	*			trans	136.2	75.3	161.3	0	0	0	0	0	119.8
169	K	33.1	Very low	31.9	Very low	207 Å²	207	140.5 Å²	140.5	90%	0.9	82%	0.821	S	S	*	*			trans	-33.3	135.5	173.6	-70.7	167.1	171.7	171.8	0	119.9
170	A	32	Very low	31.8	Very low	108 Å²	108	140.3 Å²	140.3	89%	0.893	81%	0.813	S	S	*	*				61.9	139.6	128.1	0	0	0	0	0	123.5
171	G	28.6	Very low	31.5	Very low	81 Å²	81	143.5 Å²	143.5	84%	0.835	81%	0.812	S	S	*	*			trans	-172.3	153	165.9	0	0	0	0	0	113.4
172	R	29.8	Very low	30.5	Very low	261 Å²	261	145.1 Å²	145.1	99%	0.985	81%	0.813	S	S	*	*			trans	-124.4	150.3	175.5	-67.1	-178.6	175	-150	1.6	110.1
173	G	26	Very low	30.3	Very low	61 Å²	61	144.2 Å²	144.2	63%	0.629	81%	0.813	S	S	*	*			trans	148.7	105.5	149.4	0	0	0	0	0	119.3
174	R	27.2	Very low	30	Very low	225 Å²	225	140.8 Å²	140.8	85%	0.849	82%	0.816	S	S	*	*				23.4	121.9	126.1	-171.8	-172.2	-164.7	-179.6	6.2	119
175	W	25.8	Very low	28.8	Very low	242 Å²	242	138 Å²	138	92%	0.917	81%	0.811	S	S	*	*			trans	-108.3	162.1	164.4	-76.1	98.6	0	0	0	113.3
176	R	24.7	Very low	28.7	Very low	212 Å²	212	144 Å²	144	80%	0.8	82%	0.819	S	S	*	*			trans	-145.8	154.4	175.3	-138.2	-176	-172.2	-166.4	1.5	111.5
177	T	29.7	Very low	28.5	Very low	117 Å²	117	145 Å²	145	72%	0.718	81%	0.814	S	S	*	*			trans	-34.1	146	179.7	-35.9	0	0	0	0	119.1
178	V	26.5	Very low	28.2	Very low	148 Å²	148	145.3 Å²	145.3	90%	0.897	81%	0.806	S	S	*	*			trans	-133.8	161.8	148.1	-176.6	0	0	0	0	108.6
179	Q	26.3	Very low	28.2	Very low	160 Å²	160	149.3 Å²	149.3	75%	0.748	81%	0.809	S	S	*	*			trans	-147.1	147	-160.8	174.1	-174	0.4	0	0	112.6
180	S	27.6	Very low	28	Very low	104 Å²	104	144.1 Å²	144.1	73%	0.727	80%	0.799	S	S	*	*			trans	-158.4	130.9	165.1	39.2	0	0	0	0	109.2
181	H	28.6	Very low	27.8	Very low	159 Å²	159	144.6 Å²	144.6	74%	0.736	79%	0.786	S	S	*	*				70.5	138.2	65	-68.4	-60.6	0	0	0	113.6
182	L	29.7	Very low	27.8	Very low	152 Å²	152	150 Å²	150	80%	0.796	79%	0.787	S	S	*	*			cis	-174.5	140	-21	-130.6	-178.7	0	0	0	108.3
183	A	28.9	Very low	27.8	Very low	100 Å²	100	143.4 Å²	143.4	83%	0.826	77%	0.768	S	S	*	*			trans	-172.8	160.9	161.4	0	0	0	0	0	111.8
184	A	28.8	Very low	28	Very low	110 Å²	110	147.2 Å²	147.2	91%	0.909	77%	0.773	S	S	*	*			trans	-157.2	157.5	-176.6	0	0	0	0	0	116
185	G	26.1	Very low	28.3	Very low	74 Å²	74	140.5 Å²	140.5	76%	0.763	76%	0.761	S	S	*	*			trans	132.2	166	162	0	0	0	0	0	114.9
186	K	28.9	Very low	28.5	Very low	192 Å²	192	135 Å²	135	84%	0.835	75%	0.754	S	S	*	*			cis	-172.2	146	-34.1	-144.8	-176.3	-178.3	-178.6	0	108.8
187	L	28.2	Very low	29	Very low	135 Å²	135	132.7 Å²	132.7	71%	0.707	76%	0.757	S	S	*	*			trans	85.5	125.7	159	-53.9	178.5	0	0	0	122.8
188	N	26.1	Very low	29.1	Very low	127 Å²	127	132 Å²	132	68%	0.679	76%	0.757	S	S	*	*			trans	73.6	114.5	130.3	-61.8	3.5	0	0	0	125.3
189	L	29.6	Very low	29.3	Very low	160 Å²	160	132.2 Å²	132.2	84%	0.838	76%	0.759	S	S	*	*				34.9	132.9	116	-68.8	151.6	0	0	0	119.1
190	S	29.1	Very low	29.5	Very low	98 Å²	98	129 Å²	129	69%	0.685	76%	0.76	S	S	*	*				-174.6	158.5	66.9	55.9	0	0	0	0	115.6
191	N	28	Very low	29.7	Very low	118 Å²	118	130.1 Å²	130.1	63%	0.631	76%	0.762	S	S	*	*			trans	44	135.2	150.9	-57.5	27.3	0	0	0	123	E193	N191-E193 WeakPolarHBondContact CA-OE2 3.43Å
192	F	28.3	Very low	30	Very low	196 Å²	196	129.5 Å²	129.5	86%	0.86	77%	0.77	S	S	*	*				-170.5	152.8	113.1	-123.9	-86.4	0	0	0	112.9
193	E	30.6	Very low	30.2	Very low	122 Å²	122	130.3 Å²	130.3	57%	0.57	77%	0.774	S	S	*	*			trans	-142.3	168.2	-165	-50.8	74	38.8	0	0	110.1	N191	N191-E193 WeakPolarHBondContact CA-OE2 3.43Å
194	D	29.3	Very low	30.2	Very low	140 Å²	140	134.1 Å²	134.1	75%	0.749	78%	0.775	S	S	*	*			cis	-159.8	165.4	6.9	-162	23.5	0	0	0	114.3
195	S	33.4	Very low	30.2	Very low	84 Å²	84	133.8 Å²	133.8	59%	0.587	77%	0.766	S	S	*	*			trans	69.8	164.7	140.3	-89.9	0	0	0	0	126.6
196	T	31.4	Very low	30.6	Very low	127 Å²	127	137.5 Å²	137.5	78%	0.779	77%	0.767	S	S	*	*			trans	82.4	139.8	164.8	73.9	0	0	0	0	118.4
197	L	34.9	Very low	31	Very low	164 Å²	164	134.3 Å²	134.3	86%	0.859	77%	0.766	S	S	*	*			cis	-151.7	165.7	-11.2	-120.6	172.4	0	0	0	111
198	S	31.6	Very low	31.1	Very low	103 Å²	103	133.7 Å²	133.7	72%	0.72	77%	0.772	S	S	*	*			trans	-109	168.5	-171.2	-50.7	0	0	0	0	113.8
199	T	30.3	Very low	31.2	Very low	151 Å²	151	133.3 Å²	133.3	93%	0.926	78%	0.78	S	S	*	*			trans	-161.2	147.1	143.8	-1.9	0	0	0	0	111.3
200	A	31	Very low	31.3	Very low	94 Å²	94	132.8 Å²	132.8	78%	0.777	78%	0.784	S	S	*	*			trans	-157.8	147.8	-179.6	0	0	0	0	0	112
201	T	30.4	Very low	31.3	Very low	126 Å²	126	131.7 Å²	131.7	77%	0.773	79%	0.787	S	S	*	*			trans	-147.7	98.2	174.9	45.5	0	0	0	0	107.7
202	T	34.4	Very low	31.6	Very low	146 Å²	146	133.8 Å²	133.8	90%	0.896	79%	0.794	S	S	*	*				91.9	155	88.8	47.6	0	0	0	0	113.2
203	L	34.4	Very low	32.1	Very low	170 Å²	170	130 Å²	130	89%	0.89	79%	0.788	S	S	*	*			trans	-130.8	143.5	-155.1	-170.1	117	0	0	0	110.1
204	E	28.9	Very low	32.1	Very low	179 Å²	179	132 Å²	132	84%	0.836	80%	0.795	S	S	*	*			trans	-154.4	137.3	165.9	-133.8	162.2	-138.2	0	0	116.1
205	S	29.7	Very low	32.2	Very low	103 Å²	103	132 Å²	132	72%	0.72	81%	0.805	S	S	*	*			trans	38.5	132.6	157.6	63.4	0	0	0	0	123.5
206	I	33.1	Very low	32.2	Very low	152 Å²	152	135.9 Å²	135.9	78%	0.779	81%	0.814	S	S	*	*			trans	-111.2	147.2	158.2	-61.7	164.6	0	0	0	108.3
207	P	38.1	Very low	32.4	Very low	126 Å²	126	140.6 Å²	140.6	82%	0.818	82%	0.817	S	S	*	*			trans	-125.4	145.7	136.9	36.2	-29.6	0	0	0	112.8
208	S	29.8	Very low	32.4	Very low	121 Å²	121	138.1 Å²	138.1	85%	0.846	81%	0.811	S	S	*	*			trans	-89.3	142.1	-171.9	-50.6	0	0	0	0	113.2
209	S	29.7	Very low	32.6	Very low	120 Å²	120	144 Å²	144	84%	0.839	82%	0.817	S	S	*	*			trans	-136.3	132.8	160.6	67.3	0	0	0	0	112.9
210	T	31.8	Very low	33.1	Very low	149 Å²	149	141.9 Å²	141.9	91%	0.914	80%	0.804	S	S	*	*			trans	-53	134.3	-178.1	47.4	0	0	0	0	115.5
211	G	29	Very low	33.7	Very low	74 Å²	74	145.6 Å²	145.6	76%	0.763	81%	0.81	S	S	*	*			trans	171.3	90.6	164.6	0	0	0	0	0	115.5
212	E	34.2	Very low	34.1	Very low	163 Å²	163	146.9 Å²	146.9	76%	0.762	81%	0.809	S	S	*	*			trans	-70.3	143	161	-118.6	-148.8	-164.9	0	0	109.8
213	P	38.8	Very low	34.6	Very low	116 Å²	116	148.2 Å²	148.2	75%	0.753	80%	0.798	S	S	*	*				-143.2	127.7	105.8	34.5	-20	0	0	0	115.5
214	K	29.7	Very low	34.7	Very low	163 Å²	163	148.4 Å²	148.4	71%	0.709	79%	0.794	S	S	*	*			trans	13	116.7	141.6	-67.6	162.5	-175	164.6	0	117.5	Q216	K214-Q216 PolarHBondContact O-N 3.08Å
215	C	32.2	Very low	35.2	Very low	141 Å²	141	147 Å²	147	95%	0.953	79%	0.787	S	S	*	*			trans	-50.9	108	166.4	-70.9	0	0	0	0	112.4
216	Q	32.1	Very low	35.4	Very low	165 Å²	165	147.8 Å²	147.8	77%	0.771	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-86	136.7	171.6	-62.3	-163.9	20.1	0	0	111	K214	K214-Q216 PolarHBondContact O-N 3.08Å
217	R	36.3	Very low	35.7	Very low	226 Å²	226	148.3 Å²	148.3	85%	0.853	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-77.3	142.1	167.8	-64.6	176.6	179.6	161.6	0.2	109	R219	R217-R219 PolarHBondContact O-N 2.98Å
218	P	34.6	Very low	35.5	Very low	112 Å²	112	151.6 Å²	151.6	73%	0.727	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-54.3	132.1	168.5	-24.4	34.2	0	0	0	110.9
219	R	36.7	Very low	35.7	Very low	227 Å²	227	154.4 Å²	154.4	86%	0.857	80%	0.801	S	S	*	*			trans	-95.7	113.7	174.1	-74.9	177.8	171.1	165.5	-3.5	108.9	R217	R217-R219 PolarHBondContact O-N 2.98Å
220	T	40.6	Very low	36.4	Very low	106 Å²	106	154.8 Å²	154.8	65%	0.65	80%	0.801	S	S	*	*			trans	-80.9	120.5	161.2	53.3	0	0	0	0	109.2
221	L	42.6	Very low	36.3	Very low	172 Å²	172	156 Å²	156	90%	0.901	80%	0.8	S	S	*	*			trans	167.5	103.7	145.2	-95.8	166.5	0	0	0	111.6
222	M	40.3	Very low	36.5	Very low	153 Å²	153	158.3 Å²	158.3	75%	0.754	81%	0.805	S	S	*	*			trans	-153.9	138.1	150	-111.4	-70.5	150.5	0	0	109.2
223	R	44.2	Very low	36.3	Very low	174 Å²	174	158.9 Å²	158.9	66%	0.657	81%	0.808	S	S	*	*			trans	-120	100.6	173.5	170.3	-175.5	142.2	-168.5	-11.1	107
224	Q	37.4	Very low	36.1	Very low	175 Å²	175	162.8 Å²	162.8	82%	0.818	82%	0.815	S	S	*	*			trans	-89.6	143.3	175.4	-65	-166.7	2.1	0	0	111.4
225	Q	37.9	Very low	36.2	Very low	148 Å²	148	163.3 Å²	163.3	69%	0.692	82%	0.82	S	S	*	*			trans	-117.5	116	165.9	-74.4	177.1	-128	0	0	106.6
226	S	34.4	Very low	36	Very low	120 Å²	120	168.8 Å²	168.8	84%	0.839	82%	0.821	S	S	*	*			trans	-84.7	116.6	-174.6	55.7	0	0	0	0	111.9
227	L	38.6	Very low	35.8	Very low	163 Å²	163	164.3 Å²	164.3	85%	0.853	82%	0.819	S	S	*	*			trans	-142.6	103.1	165.5	-90.2	175.6	0	0	0	109.9
228	Q	34.6	Very low	35.4	Very low	196 Å²	196	165.1 Å²	165.1	92%	0.916	82%	0.822	S	S	*	*			trans	166.4	159.5	132.6	-90	168.3	10.3	0	0	111.1
229	Q	34.2	Very low	35.1	Very low	180 Å²	180	168.4 Å²	168.4	84%	0.841	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-101.7	159	179.6	-75.6	-178.6	-12.4	0	0	110.8
230	P	43.5	Very low	35.5	Very low	128 Å²	128	162.7 Å²	162.7	83%	0.831	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-76.7	148.1	-172.3	30.8	-36.2	0	0	0	113.8
231	L	30.4	Very low	35.1	Very low	174 Å²	174	163.5 Å²	163.5	91%	0.911	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-80.9	141.8	166.1	-84	77.1	0	0	0	110.9
232	S	32.2	Very low	34.4	Very low	123 Å²	123	164 Å²	164	86%	0.86	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-93.1	145.1	167.3	52	0	0	0	0	111.4
233	Q	31.6	Very low	34.7	Very low	174 Å²	174	161.9 Å²	161.9	81%	0.813	83%	0.826	S	S	*	*			trans	-104.1	129.7	-169.5	-179.6	-175.5	11.8	0	0	111.8
234	H	33.5	Very low	34.1	Very low	198 Å²	198	159.1 Å²	159.1	92%	0.917	83%	0.828	S	S	*	*			trans	-150.8	146.6	163.2	-114.1	53.1	0	0	0	112.3
235	Q	32.7	Very low	33.8	Very low	174 Å²	174	156.6 Å²	156.6	81%	0.813	83%	0.825	S	S	*	*			trans	-133.2	131.4	178.5	-80.4	-172.5	-14.3	0	0	111.7
236	R	28.5	Very low	33.6	Very low	256 Å²	256	154 Å²	154	97%	0.966	82%	0.823	S	S	*	*			trans	176.5	141.9	155.3	-97.6	169.9	-166	-153.9	5.9	106.1
237	G	26.7	Very low	33.7	Very low	71 Å²	71	156.8 Å²	156.8	73%	0.732	82%	0.823	S	S	*	*			cis	-177.8	166.9	-7.7	0	0	0	0	0	111.3
238	R	27.6	Very low	33.4	Very low	244 Å²	244	153.6 Å²	153.6	92%	0.921	81%	0.814	S	S	*	*			trans	32.1	112.9	165.7	-66.9	-175.3	175.1	-173.5	-2.1	120.8
239	Q	28.6	Very low	33.5	Very low	181 Å²	181	152.5 Å²	152.5	85%	0.846	81%	0.813	S	S	*	*				36.1	162.7	112.6	-80.9	-158.5	7.8	0	0	122.4
240	P	45.5	Very low	33.4	Very low	106 Å²	106	146.7 Å²	146.7	69%	0.688	80%	0.802	S	S	*	*			cis	-144.2	163.5	-30.1	38.7	-21.8	0	0	0	115.6
241	S	31.5	Very low	32.9	Very low	124 Å²	124	149.2 Å²	149.2	87%	0.867	80%	0.803	S	S	*	*			trans	-176.6	157.1	141.3	52.3	0	0	0	0	114.4
242	Q	28.7	Very low	32.8	Very low	183 Å²	183	149.1 Å²	149.1	86%	0.855	80%	0.802	S	S	*	*			trans	-136.7	-176.5	172.1	-77.8	-167.7	-11.1	0	0	107.4
243	P	47	Very low	32.7	Very low	108 Å²	108	151.3 Å²	151.3	70%	0.701	80%	0.799	S	S	*	*			cis	-114.4	-139.8	-7	24.1	1.2	0	0	0	110.3
244	T	31.5	Very low	32.6	Very low	116 Å²	116	146.9 Å²	146.9	71%	0.712	79%	0.792	S	S	*	*			cis	-160.7	167.2	8.6	-14.2	0	0	0	0	106.5
245	T	31.3	Very low	32.5	Very low	121 Å²	121	144.5 Å²	144.5	74%	0.742	78%	0.781	S	S	*	*			cis	-155.4	172.7	18.5	-24.8	0	0	0	0	111.9
246	S	33.1	Very low	32.4	Very low	94 Å²	94	144.4 Å²	144.4	66%	0.657	78%	0.783	S	S	*	*			trans	-15.2	157.3	156.3	66.9	0	0	0	0	121
247	Q	36	Very low	32.4	Very low	179 Å²	179	136 Å²	136	84%	0.836	77%	0.768	S	S	*	*			cis	-146.3	-179.6	14.1	-7.5	-177	-10.6	0	0	110
248	S	32.5	Very low	32.7	Very low	95 Å²	95	138.6 Å²	138.6	66%	0.664	78%	0.775	S	S	*	*			cis	-161.7	-170.7	-5.5	55.8	0	0	0	0	106.8
249	L	36.3	Very low	33	Very low	173 Å²	173	131.5 Å²	131.5	91%	0.906	77%	0.768	S	S	*	*			cis	-144.2	-118.5	1	-165.4	70.3	0	0	0	109.8
250	G	32.5	Very low	34	Very low	59 Å²	59	129.1 Å²	129.1	61%	0.608	77%	0.768	S	S	*	*			trans	-98.6	154.5	179.3	0	0	0	0	0	114
251	Q	32.6	Very low	33.2	Very low	181 Å²	181	127.2 Å²	127.2	85%	0.846	77%	0.768	S	S	*	*			cis	90.8	102.8	27.7	-169.4	-169.6	15.3	0	0	114.5
252	L	28.9	Very low	34	Very low	171 Å²	171	127 Å²	127	90%	0.895	76%	0.764	S	S	*	*				-176.8	175.9	126.8	-98.2	166.4	0	0	0	111.5
253	Q	29.6	Very low	34.2	Very low	170 Å²	170	125.6 Å²	125.6	79%	0.794	76%	0.762	S	S	*	*			trans	-148.5	172.2	-150.9	-178.2	174.1	-18.9	0	0	112.9
254	A	30.9	Very low	34.4	Very low	81 Å²	81	125 Å²	125	67%	0.669	76%	0.758	S	S	*	*			trans	78.7	157.8	165.1	0	0	0	0	0	117.4
255	H	30.6	Very low	34.4	Very low	148 Å²	148	131 Å²	131	69%	0.685	77%	0.768	S	S	*	*			cis	-171	147.2	-30.5	-103.8	-59.9	0	0	0	109.3
256	M	30.6	Very low	34.4	Very low	172 Å²	172	128.5 Å²	128.5	85%	0.847	76%	0.759	S	S	*	*			trans	63.4	164	153.3	-65.1	-57.5	175.4	0	0	118.4
257	A	28.9	Very low	34.2	Very low	78 Å²	78	135.4 Å²	135.4	65%	0.645	77%	0.773	S	S	*	*			cis	-164.8	167.1	-24.4	0	0	0	0	0	112.3
258	S	32	Very low	33.8	Very low	127 Å²	127	129.7 Å²	129.7	89%	0.888	76%	0.762	S	S	*	*			trans	70.8	158.3	151.8	-62.7	0	0	0	0	122.4
259	A	34.6	Very low	33.8	Very low	94 Å²	94	137.6 Å²	137.6	78%	0.777	78%	0.778	S	S	*	*			trans	-115.5	-176	179.2	0	0	0	0	0	111
260	P	48.7	Very low	33.4	Very low	131 Å²	131	132.6 Å²	132.6	85%	0.851	77%	0.767	S	S	*	*				-145.4	-167.6	59.2	38	-15	0	0	0	116.1
261	G	30.3	Very low	33.5	Very low	67 Å²	67	139.3 Å²	139.3	69%	0.691	78%	0.783	S	S	*	*			trans	-93.1	-143.3	174.2	0	0	0	0	0	113.9
262	P	48.4	Very low	33.4	Very low	118 Å²	118	135 Å²	135	77%	0.766	78%	0.778	S	S	*	*			cis	-143.5	172.6	-1.6	44.3	-27.2	0	0	0	117.3
263	N	32.9	Very low	33.4	Very low	155 Å²	155	138 Å²	138	83%	0.829	78%	0.778	S	S	*	*			trans	51.6	172.9	145.2	-86.2	-13	0	0	0	122.6
264	P	51.1	Low	33.5	Very low	94 Å²	94	139.1 Å²	139.1	61%	0.61	78%	0.783	S	S	*	*			cis	-137.2	-169.1	-48.4	41.1	-23.8	0	0	0	113.8
265	R	31.1	Very low	33.4	Very low	242 Å²	242	138.2 Å²	138.2	91%	0.913	78%	0.781	S	S	*	*			trans	72.1	160.5	161.7	-67	171.8	179.4	171.2	-0.5	117.8
266	A	30.2	Very low	33.4	Very low	69 Å²	69	138.2 Å²	138.2	57%	0.57	79%	0.792	S	S	*	*			cis	-170.8	165.8	-28.3	0	0	0	0	0	111.2
267	Y	30.4	Very low	33.3	Very low	239 Å²	239	135.6 Å²	135.6	94%	0.937	79%	0.79	S	S	*	*			trans	63.9	162.4	173.8	-57.6	-81.7	0	0	0	115.9
268	G	27.3	Very low	33.5	Very low	60 Å²	60	136.8 Å²	136.8	62%	0.619	80%	0.8	S	S	*	*			cis	165.6	161.7	-8.4	0	0	0	0	0	112.3
269	R	31.6	Very low	33.4	Very low	261 Å²	261	134.7 Å²	134.7	99%	0.985	80%	0.799	S	S	*	*			trans	71	156	-170.3	-55.3	178.6	167.9	-159.3	-2.4	114.7
270	G	28.2	Very low	33.1	Very low	67 Å²	67	135.3 Å²	135.3	69%	0.691	80%	0.798	S	S	*	*			cis	147.7	153.9	-11.5	0	0	0	0	0	114.1
271	Q	34.4	Very low	32.2	Very low	200 Å²	200	137.5 Å²	137.5	94%	0.935	79%	0.794	S	S	*	*			trans	70.6	152.8	175.1	-63.7	178.6	-10.6	0	0	116.7
272	A	31.2	Very low	32.1	Very low	90 Å²	90	145.1 Å²	145.1	74%	0.744	80%	0.803	S	S	*	*			cis	-162.4	152.2	-22.9	0	0	0	0	0	113.5
273	R	29.6	Very low	31.1	Very low	234 Å²	234	151.6 Å²	151.6	88%	0.883	81%	0.812	S	S	*	*			trans	26.9	152	148.9	-98.9	179.8	173.9	178	-2.5	124.4
274	Q	31.3	Very low	30.9	Very low	195 Å²	195	149.4 Å²	149.4	91%	0.911	82%	0.816	S	S	*	*			trans	73.1	147	167	-64.7	172.5	-5.7	0	0	116.1
275	G	28.9	Very low	29.8	Very low	61 Å²	61	150 Å²	150	63%	0.629	83%	0.828	S	S	*	*			cis	179.9	169.1	-7.4	0	0	0	0	0	114
276	T	29.9	Very low	29.6	Very low	148 Å²	148	142.6 Å²	142.6	91%	0.908	83%	0.827	S	S	*	*			trans	58.8	137.8	163.2	46.4	0	0	0	0	121.8
277	S	29.3	Very low	29.5	Very low	117 Å²	117	142.9 Å²	142.9	82%	0.818	84%	0.838	S	S	*	*			trans	-65.3	138.9	172.1	49.8	0	0	0	0	116
278	A	32.3	Very low	29.6	Very low	103 Å²	103	143.5 Å²	143.5	85%	0.851	84%	0.838	S	S	*	*			trans	-169.8	128.5	133.5	0	0	0	0	0	110.1
279	G	29.4	Very low	30	Very low	83 Å²	83	146 Å²	146	86%	0.856	85%	0.847	S	S	*	*			trans	-105.1	112.8	-177.6	0	0	0	0	0	113.7
280	S	27.6	Very low	30.6	Very low	108 Å²	108	145.3 Å²	145.3	76%	0.755	84%	0.844	S	S	*	*			trans	-157.1	134.8	162.5	-136.1	0	0	0	0	114.9
281	K	30.6	Very low	31.5	Very low	177 Å²	177	144.9 Å²	144.9	77%	0.77	83%	0.83	S	S	*	*			trans	62.5	97.7	154.9	-64	173.2	-175.9	177.5	0	120.2
282	Y	28.3	Very low	32	Very low	226 Å²	226	141.5 Å²	141.5	89%	0.886	82%	0.818	S	S	*	*				46.1	104.3	129.9	-60.6	-75.4	0	0	0	121
283	R	26.4	Very low	32.7	Very low	255 Å²	255	142.5 Å²	142.5	96%	0.962	82%	0.817	S	S	*	*				-168.5	127.3	120.7	-108.9	176	-175.1	-178.9	2.6	111.4
284	A	28.6	Very low	33.6	Very low	109 Å²	109	134.8 Å²	134.8	90%	0.901	81%	0.81	S	S	*	*			trans	-159.9	127.9	159	0	0	0	0	0	109.6
285	A	28	Very low	34.9	Very low	105 Å²	105	127.6 Å²	127.6	87%	0.868	78%	0.782	S	S	*	*			trans	-123	156.9	169.7	0	0	0	0	0	109.1
286	G	28.5	Very low	36.3	Very low	87 Å²	87	132.2 Å²	132.2	90%	0.897	78%	0.78	S	S	*	*			trans	72.7	84.3	162.4	0	0	0	0	0	116.8
287	G	27.2	Very low	37.8	Very low	76 Å²	76	130.8 Å²	130.8	78%	0.784	77%	0.767	S	S	*	*			trans	-155.2	58.2	173.4	0	0	0	0	0	113.4	S289	G287-S289 PolarHBondContact O-N 3.19Å; G287-S289 VanDerWaalsContact O-N 3.07Å
288	R	33.1	Very low	39.5	Very low	251 Å²	251	127.6 Å²	127.6	95%	0.947	74%	0.739	S	S	*	*			trans	-76.9	89.9	-178.1	-75.5	-174.8	175.6	178	-0.9	112.1
289	S	35.8	Very low	41.1	Very low	114 Å²	114	125.6 Å²	125.6	80%	0.797	72%	0.717	S	S	*	*			trans	-70.2	128.6	159.1	-171	0	0	0	0	109.9	G287 S291	G287-S289 PolarHBondContact O-N 3.19Å; G287-S289 VanDerWaalsContact O-N 3.07Å; S289-S291 PolarHBondContact O-N 2.66Å
290	R	43.6	Very low	42.9	Very low	246 Å²	246	123.4 Å²	123.4	93%	0.928	69%	0.686	S	S	*	*			trans	-78.6	101.4	175.1	-81.7	-179.9	165.9	171.7	-5.1	109.1
291	S	47	Very low	44.7	Very low	57 Å²	57	119.3 Å²	119.3	40%	0.399	66%	0.661	S	S	.	*			trans	-68.8	136.7	172.9	53.1	0	0	0	0	111.2	S289 H298	S289-S291 PolarHBondContact O-N 2.66Å; S291-H298 PolarHBondContact O-ND1 2.75Å; S291-H298 VanDerWaalsContact O-ND1 3.1Å; S291-H298 PolarHBondContact OG-ND1 2.8Å
292	N	45.2	Very low	46.3	Very low	129 Å²	129	115.4 Å²	115.4	69%	0.69	65%	0.646	S	S	*	*			trans	-62.5	131.5	-174.5	-136.3	18.2	0	0	0	110.9	G294 S295	N292-G294 PolarHBondContact O-N 2.64Å; N292-S295 PolarHBondContact O-N 3.33Å
293	P	46.5	Very low	47.9	Very low	111 Å²	111	105.5 Å²	105.5	72%	0.721	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	107.9	177.6	27.1	-33.1	0	0	0	109.3
294	G	48	Very low	49.7	Very low	72 Å²	72	101.6 Å²	101.6	74%	0.742	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	122.3	-11.2	-171.4	0	0	0	0	0	114.9	N292	N292-G294 PolarHBondContact O-N 2.64Å
295	S	59.1	Low	51.3	Low	44 Å²	44	102.7 Å²	102.7	31%	0.308	58%	0.584	S	S	.	*			trans	-71.5	144.9	168.7	-172.3	0	0	0	0	111.5	N292 D297 H298 V299	N292-S295 PolarHBondContact O-N 3.33Å; S295-D297 PolarHBondContact O-N 2.91Å; S295-D297 PolarHBondContact OG-OD2 3.04Å; S295-H298 WeakPolarHBondContact O-CB 3.3Å; S295-H298 PolarHBondContact O-N 2.82Å; S295-V299 PolarHBondContact O-N 2.72Å
296	W	57.4	Low	53.2	Low	158 Å²	158	106.5 Å²	106.5	60%	0.598	58%	0.576	S	S	*	*	H	α-helix	trans	-54.8	-39.6	175.6	-126.4	105.8	0	0	0	111.7	H298 V299 V300 L314	W296-H298 VanDerWaalsContact C-N 3.29Å; W296-H298 PolarHBondContact O-N 2.78Å; W296-V299 PolarHBondContact O-N 2.68Å; W296-V300 HydrophobicContact CE3-CG2 3.45Å; W296-V300 VanDerWaalsContact CE3-CG2 3.45Å; W296-V300 HydrophobicContact CZ3-CG2 3.44Å; W296-V300 VanDerWaalsContact CZ3-CG2 3.44Å; W296-V300 PolarHBondContact O-N 2.65Å; W296-L314 HydrophobicContact CH2-CD2 4.12Å
297	D	61.4	Low	54.1	Low	119 Å²	119	105.8 Å²	105.8	64%	0.636	57%	0.568	S	S	*	*	H	α-helix	trans	-65.5	-30.1	177.9	-52.4	-63.8	0	0	0	113.2	S295 G301	S295-D297 PolarHBondContact O-N 2.91Å; S295-D297 PolarHBondContact OG-OD2 3.04Å; D297-G301 PolarHBondContact O-N 2.87Å
298	H	66.2	Low	55.7	Low	49 Å²	49	106.1 Å²	106.1	23%	0.227	55%	0.551	C	S	.	*	H	α-helix	trans	-70.1	-42.1	175.6	-169	106.2	0	0	0	110.3	S291 S295 W296 G301 Q302	S291-H298 PolarHBondContact O-ND1 2.75Å; S291-H298 VanDerWaalsContact O-ND1 3.1Å; S291-H298 PolarHBondContact OG-ND1 2.8Å; S295-H298 WeakPolarHBondContact O-CB 3.3Å; S295-H298 PolarHBondContact O-N 2.82Å; W296-H298 VanDerWaalsContact C-N 3.29Å; W296-H298 PolarHBondContact O-N 2.78Å; H298-G301 PolarHBondContact O-N 3.3Å; H298-Q302 PolarHBondContact NE2-NE2 2.98Å; H298-Q302 VanDerWaalsContact NE2-NE2 3.12Å; H298-Q302 PolarHBondContact O-N 3Å
299	V	64.3	Low	57	Low	62 Å²	62	98.4 Å²	98.4	38%	0.376	53%	0.529	S	S	.	.	H	α-helix	trans	-65.4	-46	176.7	-178.9	0	0	0	0	110.7	S295 W296 G301 Q302 I303	S295-V299 PolarHBondContact O-N 2.72Å; W296-V299 PolarHBondContact O-N 2.68Å; V299-G301 VanDerWaalsContact C-N 3.33Å; V299-G301 PolarHBondContact O-N 2.65Å; V299-Q302 PolarHBondContact O-N 3.46Å; V299-I303 HydrophobicContact CG1-CD1 3.86Å; V299-I303 WeakPolarHBondContact O-CG1 3.44Å; V299-I303 PolarHBondContact O-N 3.05Å
300	V	67.8	Low	57.9	Low	37 Å²	37	95.7 Å²	95.7	22%	0.224	50%	0.504	C	S	.	.	H	α-helix	trans	-57.4	-45.3	172.1	162.5	0	0	0	0	111.8	W296 Q302 I303 R304 M310	W296-V300 HydrophobicContact CE3-CG2 3.45Å; W296-V300 VanDerWaalsContact CE3-CG2 3.45Å; W296-V300 HydrophobicContact CZ3-CG2 3.44Å; W296-V300 VanDerWaalsContact CZ3-CG2 3.44Å; W296-V300 PolarHBondContact O-N 2.65Å; V300-Q302 VanDerWaalsContact C-N 3.35Å; V300-Q302 PolarHBondContact O-N 3.22Å; V300-I303 PolarHBondContact O-N 3.45Å; V300-R304 WeakPolarHBondContact O-CB 3.46Å; V300-R304 PolarHBondContact O-N 3.27Å; V300-M310 HydrophobicContact CG1-CE 4.1Å; V300-M310 HydrophobicContact CG1-SD 3.89Å; V300-M310 HydrophobicContact CG2-SD 4.17Å
301	G	66	Low	58.2	Low	21 Å²	21	91.1 Å²	91.1	22%	0.216	49%	0.491	C	S	.	.	H	α-helix	trans	-56.9	-46.1	177	0	0	0	0	0	112.3	D297 H298 V299 N305	D297-G301 PolarHBondContact O-N 2.87Å; H298-G301 PolarHBondContact O-N 3.3Å; V299-G301 VanDerWaalsContact C-N 3.33Å; V299-G301 PolarHBondContact O-N 2.65Å; G301-N305 WeakPolarHBondContact O-CB 3.44Å; G301-N305 PolarHBondContact O-N 2.82Å; G301-N305 PolarHBondContact O-ND2 3.42Å; G301-N305 PolarHBondContact O-OD1 3.47Å
302	Q	64	Low	58.5	Low	96 Å²	96	91 Å²	91	45%	0.449	49%	0.49	S	S	.	.	H	α-helix	trans	-66.9	-43.2	177.1	-71.2	-166.4	2.9	0	0	113.2	H298 V299 V300 N305 R306	H298-Q302 PolarHBondContact NE2-NE2 2.98Å; H298-Q302 VanDerWaalsContact NE2-NE2 3.12Å; H298-Q302 PolarHBondContact O-N 3Å; V299-Q302 PolarHBondContact O-N 3.46Å; V300-Q302 VanDerWaalsContact C-N 3.35Å; V300-Q302 PolarHBondContact O-N 3.22Å; Q302-N305 PolarHBondContact O-N 3.48Å; Q302-R306 WeakPolarHBondContact O-CB 3.33Å; Q302-R306 WeakPolarHBondContact O-CG 3.36Å; Q302-R306 PolarHBondContact O-N 2.82Å; Q302-R306 VanDerWaalsContact O-N 3.13Å
303	I	61.9	Low	58.7	Low	17 Å²	17	87.8 Å²	87.8	9%	0.087	47%	0.47	C	S	.	.	H	α-helix	trans	-62.8	-47.5	179.4	-66.7	168.1	0	0	0	110.3	V299 V300 R306 G307 L308 M310 F313	V299-I303 HydrophobicContact CG1-CD1 3.86Å; V299-I303 WeakPolarHBondContact O-CG1 3.44Å; V299-I303 PolarHBondContact O-N 3.05Å; V300-I303 PolarHBondContact O-N 3.45Å; I303-R306 PolarHBondContact O-N 2.95Å; I303-G307 PolarHBondContact O-N 3.01Å; I303-L308 HydrophobicContact CG2-CB 3.9Å; I303-L308 PolarHBondContact O-N 2.85Å; I303-M310 HydrophobicContact CB-CE 3.87Å; I303-M310 HydrophobicContact CG2-CE 3.62Å; I303-F313 HydrophobicContact CD1-CD1 3.96Å; I303-F313 HydrophobicContact CD1-CD2 3.97Å; I303-F313 HydrophobicContact CD1-CE1 3.79Å; I303-F313 HydrophobicContact CD1-CE2 3.82Å; I303-F313 HydrophobicContact CD1-CG 4.05Å; I303-F313 HydrophobicContact CD1-CZ 3.72Å
304	R	65	Low	59	Low	174 Å²	174	88.5 Å²	88.5	66%	0.657	47%	0.467	S	S	*	.	H	α-helix	trans	-66.8	-40.1	180	-163.3	179.8	70.7	-169.6	1.9	112.3	V300 R306 G307 M310	V300-R304 WeakPolarHBondContact O-CB 3.46Å; V300-R304 PolarHBondContact O-N 3.27Å; R304-R306 PolarHBondContact O-N 3.14Å; R304-G307 PolarHBondContact O-N 2.93Å; R304-G307 VanDerWaalsContact O-N 3.09Å; R304-M310 HydrophobicContact CB-CE 4.05Å
305	N	62.3	Low	59.2	Low	132 Å²	132	90.1 Å²	90.1	71%	0.706	46%	0.456	S	S	*	.	H	α-helix	trans	-71.1	-12.2	177.6	-67.6	-4.8	0	0	0	113.2	G301 Q302	G301-N305 WeakPolarHBondContact O-CB 3.44Å; G301-N305 PolarHBondContact O-N 2.82Å; G301-N305 PolarHBondContact O-ND2 3.42Å; G301-N305 PolarHBondContact O-OD1 3.47Å; Q302-N305 PolarHBondContact O-N 3.48Å
306	R	67.4	Low	58.5	Low	185 Å²	185	90.2 Å²	90.2	70%	0.698	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	8.2	170.7	-72.8	176.4	170.4	168.9	-3.2	113.3	Q302 I303 R304 L308	Q302-R306 WeakPolarHBondContact O-CB 3.33Å; Q302-R306 WeakPolarHBondContact O-CG 3.36Å; Q302-R306 PolarHBondContact O-N 2.82Å; Q302-R306 VanDerWaalsContact O-N 3.13Å; I303-R306 PolarHBondContact O-N 2.95Å; R304-R306 PolarHBondContact O-N 3.14Å; R306-L308 VanDerWaalsContact C-N 3.28Å; R306-L308 HydrophobicContact CB-CD1 4.37Å; R306-L308 HydrophobicContact CB-CG 4.41Å; R306-L308 PolarHBondContact O-N 3.11Å
307	G	46.9	Very low	58.2	Low	71 Å²	71	91.6 Å²	91.6	73%	0.732	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	14.3	175	0	0	0	0	0	115.4	I303 R304	I303-G307 PolarHBondContact O-N 3.01Å; R304-G307 PolarHBondContact O-N 2.93Å; R304-G307 VanDerWaalsContact O-N 3.09Å
308	L	61.4	Low	57.4	Low	84 Å²	84	88.2 Å²	88.2	44%	0.44	45%	0.449	S	S	.	.			trans	-86.9	136.8	-175.5	-63.9	172.2	0	0	0	111.7	I303 R306 M310 M318	I303-L308 HydrophobicContact CG2-CB 3.9Å; I303-L308 PolarHBondContact O-N 2.85Å; R306-L308 VanDerWaalsContact C-N 3.28Å; R306-L308 HydrophobicContact CB-CD1 4.37Å; R306-L308 HydrophobicContact CB-CG 4.41Å; R306-L308 PolarHBondContact O-N 3.11Å; L308-M310 PolarHBondContact O-N 2.94Å; L308-M318 HydrophobicContact CD1-SD 4.17Å
309	D	60.7	Low	56.6	Low	88 Å²	88	91 Å²	91	47%	0.471	47%	0.47	S	S	.	.			trans	-65.8	121.5	176.9	167.1	42.2	0	0	0	111.9	K311 S312 F313	D309-K311 VanDerWaalsContact C-N 3.3Å; D309-K311 PolarHBondContact O-N 2.91Å; D309-K311 WeakPolarHBondContact OD1-CB 3.17Å; D309-K311 PolarHBondContact OD1-N 2.91Å; D309-K311 WeakPolarHBondContact OD2-CB 3.37Å; D309-S312 PolarHBondContact O-N 3.17Å; D309-S312 VanDerWaalsContact OD2-CB 3.25Å; D309-S312 WeakPolarHBondContact OD2-CB 3.42Å; D309-S312 PolarHBondContact OD2-N 3.24Å; D309-S312 PolarHBondContact OD2-OG 2.92Å; D309-F313 PolarHBondContact O-N 2.84Å
310	M	54	Low	55.6	Low	57 Å²	57	93.3 Å²	93.3	28%	0.281	48%	0.483	S	S	.	.	H	α-helix	trans	-71.2	-24.6	-177.7	-153	140.3	-72.6	0	0	112.8	V300 I303 R304 L308 L314	V300-M310 HydrophobicContact CG1-CE 4.1Å; V300-M310 HydrophobicContact CG1-SD 3.89Å; V300-M310 HydrophobicContact CG2-SD 4.17Å; I303-M310 HydrophobicContact CB-CE 3.87Å; I303-M310 HydrophobicContact CG2-CE 3.62Å; R304-M310 HydrophobicContact CB-CE 4.05Å; L308-M310 PolarHBondContact O-N 2.94Å; M310-L314 PolarHBondContact O-N 3.3Å
311	K	50.3	Low	54.2	Low	151 Å²	151	96.2 Å²	96.2	66%	0.657	50%	0.497	S	S	*	.	H	α-helix	trans	-69.6	-46.6	176	-171.6	-178.5	179.4	-175.8	0	110.5	D309 F313 L314 E315	D309-K311 VanDerWaalsContact C-N 3.3Å; D309-K311 PolarHBondContact O-N 2.91Å; D309-K311 WeakPolarHBondContact OD1-CB 3.17Å; D309-K311 PolarHBondContact OD1-N 2.91Å; D309-K311 WeakPolarHBondContact OD2-CB 3.37Å; K311-F313 VanDerWaalsContact C-N 3.27Å; K311-F313 PolarHBondContact O-N 2.97Å; K311-L314 PolarHBondContact O-N 3.07Å; K311-E315 WeakPolarHBondContact O-CB 3.37Å; K311-E315 PolarHBondContact O-N 3.22Å
312	S	52.6	Low	53.1	Low	54 Å²	54	98.9 Å²	98.9	38%	0.378	51%	0.512	S	S	.	.	H	α-helix	trans	-61.2	-30.8	175.9	-63.7	0	0	0	0	113.8	D309 R317	D309-S312 PolarHBondContact O-N 3.17Å; D309-S312 VanDerWaalsContact OD2-CB 3.25Å; D309-S312 WeakPolarHBondContact OD2-CB 3.42Å; D309-S312 PolarHBondContact OD2-N 3.24Å; D309-S312 PolarHBondContact OD2-OG 2.92Å; S312-R317 PolarHBondContact O-N 2.84Å
313	F	50.2	Low	52.1	Low	62 Å²	62	100.6 Å²	100.6	27%	0.272	52%	0.524	S	S	.	.	H	α-helix	trans	-69.6	-48.1	174.1	-172.9	-99.8	0	0	0	112	I303 D309 K311 E315 G316 M318	I303-F313 HydrophobicContact CD1-CD1 3.96Å; I303-F313 HydrophobicContact CD1-CD2 3.97Å; I303-F313 HydrophobicContact CD1-CE1 3.79Å; I303-F313 HydrophobicContact CD1-CE2 3.82Å; I303-F313 HydrophobicContact CD1-CG 4.05Å; I303-F313 HydrophobicContact CD1-CZ 3.72Å; D309-F313 PolarHBondContact O-N 2.84Å; K311-F313 VanDerWaalsContact C-N 3.27Å; K311-F313 PolarHBondContact O-N 2.97Å; F313-E315 VanDerWaalsContact C-N 3.3Å; F313-E315 PolarHBondContact O-N 3.14Å; F313-G316 PolarHBondContact O-N 3.26Å; F313-G316 VanDerWaalsContact O-N 3.15Å; F313-M318 HydrophobicContact CD2-CB 4.3Å; F313-M318 HydrophobicContact CD2-CE 4.08Å; F313-M318 HydrophobicContact CD2-SD 4.35Å; F313-M318 HydrophobicContact CE2-CE 4.15Å
314	L	52	Low	51.1	Low	125 Å²	125	104.1 Å²	104.1	65%	0.654	55%	0.546	S	S	*	.	H	α-helix	trans	-69.7	-25.1	178.2	-72	168.7	0	0	0	113.3	W296 M310 K311 G316	W296-L314 HydrophobicContact CH2-CD2 4.12Å; M310-L314 PolarHBondContact O-N 3.3Å; K311-L314 PolarHBondContact O-N 3.07Å; L314-G316 PolarHBondContact O-N 3.43Å
315	E	52	Low	50.2	Low	107 Å²	107	101.4 Å²	101.4	50%	0.5	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	8.1	172.2	-145.3	-175.3	114.7	0	0	113.4	K311 F313 R317	K311-E315 WeakPolarHBondContact O-CB 3.37Å; K311-E315 PolarHBondContact O-N 3.22Å; F313-E315 VanDerWaalsContact C-N 3.3Å; F313-E315 PolarHBondContact O-N 3.14Å; E315-R317 VanDerWaalsContact C-N 3.28Å; E315-R317 PolarHBondContact O-N 2.71Å; E315-R317 IonicContact OE1-CZ 3.25Å; E315-R317 VanDerWaalsContact OE1-CZ 3.25Å; E315-R317 IonicContact OE1-NE 3.01Å; E315-R317 PolarHBondContact OE1-NE 3.13Å; E315-R317 IonicContact OE1-NH2 2.68Å; E315-R317 PolarHBondContact OE1-NH2 3.03Å
316	G	45.8	Very low	49	Very low	45 Å²	45	98 Å²	98	46%	0.464	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	2.3	169.4	0	0	0	0	0	115.9	F313 L314 M318	F313-G316 PolarHBondContact O-N 3.26Å; F313-G316 VanDerWaalsContact O-N 3.15Å; L314-G316 PolarHBondContact O-N 3.43Å; G316-M318 VanDerWaalsContact C-N 3.25Å; G316-M318 PolarHBondContact O-N 3.01Å
317	R	49.8	Very low	47.8	Very low	188 Å²	188	96.3 Å²	96.3	71%	0.709	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-10.4	-173.1	-58.9	-172.2	-174.2	-156.2	5	114.5	S312 E315	S312-R317 PolarHBondContact O-N 2.84Å; E315-R317 VanDerWaalsContact C-N 3.28Å; E315-R317 PolarHBondContact O-N 2.71Å; E315-R317 IonicContact OE1-CZ 3.25Å; E315-R317 VanDerWaalsContact OE1-CZ 3.25Å; E315-R317 IonicContact OE1-NE 3.01Å; E315-R317 PolarHBondContact OE1-NE 3.13Å; E315-R317 IonicContact OE1-NH2 2.68Å; E315-R317 PolarHBondContact OE1-NH2 3.03Å
318	M	44.9	Very low	47.4	Very low	48 Å²	48	97 Å²	97	24%	0.236	54%	0.538	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	10.1	-170	-142.7	-160.2	81.1	0	0	115.8	L308 F313 G316 V320 L321	L308-M318 HydrophobicContact CD1-SD 4.17Å; F313-M318 HydrophobicContact CD2-CB 4.3Å; F313-M318 HydrophobicContact CD2-CE 4.08Å; F313-M318 HydrophobicContact CD2-SD 4.35Å; F313-M318 HydrophobicContact CE2-CE 4.15Å; G316-M318 VanDerWaalsContact C-N 3.25Å; G316-M318 PolarHBondContact O-N 3.01Å; M318-V320 PolarHBondContact O-N 3.21Å; M318-L321 HydrophobicContact CG-CD1 4.18Å; M318-L321 PolarHBondContact O-N 2.93Å
319	V	48.4	Very low	46.3	Very low	108 Å²	108	101 Å²	101	66%	0.655	55%	0.554	S	S	*	*	H	α-helix	trans	-60.4	-30.5	-179	178.9	0	0	0	0	112.6	L321 S322 L323	V319-L321 PolarHBondContact O-N 2.87Å; V319-S322 PolarHBondContact O-N 3.13Å; V319-L323 PolarHBondContact O-N 2.89Å
320	V	44.2	Very low	44.9	Very low	109 Å²	109	105.1 Å²	105.1	66%	0.661	57%	0.571	S	S	*	*	H	α-helix	trans	-60.6	-42.2	-175.4	-176.5	0	0	0	0	112.6	M318 S322 L323 V324	M318-V320 PolarHBondContact O-N 3.21Å; V320-S322 PolarHBondContact O-N 2.83Å; V320-L323 PolarHBondContact O-N 3.22Å; V320-V324 PolarHBondContact O-N 2.91Å
321	L	39	Very low	43.8	Very low	98 Å²	98	108.7 Å²	108.7	51%	0.513	59%	0.591	S	S	.	*	H	α-helix	trans	-69.6	-32.4	-176.4	-77.4	167.9	0	0	0	113	M318 V319 L323 V324 L325	M318-L321 HydrophobicContact CG-CD1 4.18Å; M318-L321 PolarHBondContact O-N 2.93Å; V319-L321 PolarHBondContact O-N 2.87Å; L321-L323 VanDerWaalsContact C-N 3.26Å; L321-L323 PolarHBondContact O-N 3.17Å; L321-V324 PolarHBondContact O-N 3.45Å; L321-L325 PolarHBondContact O-N 2.94Å; L321-L325 VanDerWaalsContact O-N 3.07Å
322	S	43	Very low	42.9	Very low	77 Å²	77	109.6 Å²	109.6	54%	0.538	60%	0.603	S	S	.	*	H	α-helix	trans	-67.9	-26.7	174.2	-59.4	0	0	0	0	112.8	V319 V320 G326	V319-S322 PolarHBondContact O-N 3.13Å; V320-S322 PolarHBondContact O-N 2.83Å; S322-G326 PolarHBondContact O-N 2.65Å
323	L	42	Very low	41.8	Very low	132 Å²	132	116 Å²	116	69%	0.691	62%	0.624	S	S	*	*	H	α-helix	trans	-79.5	-32.8	177	-157.4	73.5	0	0	0	112.1	V319 V320 L321 L327	V319-L323 PolarHBondContact O-N 2.89Å; V320-L323 PolarHBondContact O-N 3.22Å; L321-L323 VanDerWaalsContact C-N 3.26Å; L321-L323 PolarHBondContact O-N 3.17Å; L323-L327 WeakPolarHBondContact O-CG 3.48Å
324	V	41.7	Very low	40.8	Very low	91 Å²	91	116.9 Å²	116.9	55%	0.552	64%	0.643	S	S	*	*	H	α-helix	trans	-74.6	-47.3	177.4	174.8	0	0	0	0	111.5	V320 L321 G326 L327	V320-V324 PolarHBondContact O-N 2.91Å; L321-V324 PolarHBondContact O-N 3.45Å; V324-G326 PolarHBondContact O-N 3.36Å; V324-L327 PolarHBondContact O-N 2.7Å
325	L	44.9	Very low	39.7	Very low	117 Å²	117	118.9 Å²	118.9	61%	0.613	66%	0.655	S	S	*	*	H	α-helix	trans	-68.3	-18.8	179.3	-70.9	168.1	0	0	0	113.4	L321 L327	L321-L325 PolarHBondContact O-N 2.94Å; L321-L325 VanDerWaalsContact O-N 3.07Å; L325-L327 PolarHBondContact O-N 2.86Å
326	G	37.5	Very low	38.7	Very low	61 Å²	61	120.6 Å²	120.6	63%	0.629	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	4	174.4	0	0	0	0	0	115.1	S322 V324	S322-G326 PolarHBondContact O-N 2.65Å; V324-G326 PolarHBondContact O-N 3.36Å
327	L	42.2	Very low	38.5	Very low	150 Å²	150	123.6 Å²	123.6	79%	0.785	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.2	1.9	-175.6	-66.9	174.1	0	0	0	114.1	L323 V324 L325	L323-L327 WeakPolarHBondContact O-CG 3.48Å; V324-L327 PolarHBondContact O-N 2.7Å; L325-L327 PolarHBondContact O-N 2.86Å
328	S	38.5	Very low	37.4	Very low	86 Å²	86	121 Å²	121	60%	0.601	68%	0.677	S	S	*	*	S	Bend	trans	-111.8	4.2	-174.2	59.5	0	0	0	0	115.4
329	E	39.1	Very low	36.6	Very low	166 Å²	166	125.4 Å²	125.4	78%	0.776	70%	0.701	S	S	*	*	S	Bend	trans	-130.1	59	-176.1	-69.3	-169.3	158.6	0	0	113.4
330	Q	31.4	Very low	35.5	Very low	176 Å²	176	128.5 Å²	128.5	82%	0.822	71%	0.708	S	S	*	*	S	Bend	trans	-159.4	139.1	149.1	-125.8	129	92.6	0	0	112.8
331	D	29.9	Very low	34.6	Very low	131 Å²	131	130.5 Å²	130.5	70%	0.701	72%	0.715	S	S	*	*			trans	55.3	99.4	163.8	-54	-21.3	0	0	0	118.9
332	D	32.6	Very low	34.9	Very low	171 Å²	171	131.4 Å²	131.4	91%	0.914	73%	0.727	S	S	*	*				-143.9	154	110.6	-128.2	-30.1	0	0	0	111.4
333	F	27.9	Very low	34	Very low	187 Å²	187	131.1 Å²	131.1	82%	0.82	74%	0.736	S	S	*	*			trans	-104.8	160	-162.6	-111.5	-104.1	0	0	0	114.7
334	A	29.8	Very low	33.2	Very low	81 Å²	81	130.8 Å²	130.8	67%	0.669	74%	0.74	S	S	*	*			trans	-83.4	135.1	174.9	0	0	0	0	0	113
335	N	29	Very low	32.5	Very low	168 Å²	168	134.4 Å²	134.4	90%	0.898	75%	0.751	S	S	*	*			trans	-159.9	146.8	149.1	-100	-45.4	0	0	0	110.8
336	I	32.1	Very low	31.7	Very low	142 Å²	142	137.4 Å²	137.4	73%	0.728	76%	0.762	S	S	*	*			trans	-147.3	138.4	-164.6	-66.6	176.2	0	0	0	104.7
337	P	40.2	Very low	31.2	Very low	109 Å²	109	140.7 Å²	140.7	71%	0.708	77%	0.765	S	S	*	*				-157.8	160.7	74.5	41.9	-19.4	0	0	0	121.8
338	D	26.4	Very low	30.6	Very low	133 Å²	133	140.9 Å²	140.9	71%	0.711	76%	0.762	S	S	*	*			trans	67.9	123.3	135.1	-63.2	-7.3	0	0	0	126.7
339	L	28.6	Very low	30.2	Very low	141 Å²	141	143.3 Å²	143.3	74%	0.738	77%	0.768	S	S	*	*				58.5	118.6	129.2	-63	166.8	0	0	0	122.2
340	Q	26.1	Very low	29.8	Very low	172 Å²	172	139.8 Å²	139.8	80%	0.804	77%	0.767	S	S	*	*				-176.1	177	95.2	-141.4	76.1	29.9	0	0	111.8
341	N	24.7	Very low	29.8	Very low	151 Å²	151	140.7 Å²	140.7	81%	0.807	77%	0.771	S	S	*	*			trans	-134.6	-179.7	-177.3	-99	-21	0	0	0	109
342	P	44.5	Very low	29.8	Very low	117 Å²	117	137.8 Å²	137.8	76%	0.76	77%	0.773	S	S	*	*			cis	-139.7	179.3	-48.4	41.8	-25	0	0	0	114.5
343	G	24.1	Very low	29.7	Very low	71 Å²	71	135.5 Å²	135.5	73%	0.732	76%	0.761	S	S	*	*			trans	88.4	170.1	158.1	0	0	0	0	0	118.1
344	T	25.8	Very low	30.1	Very low	125 Å²	125	134.1 Å²	134.1	77%	0.767	75%	0.754	S	S	*	*			cis	-164.3	160.1	-12.1	-21.3	0	0	0	0	111.1
345	Q	28.3	Very low	30	Very low	167 Å²	167	141.3 Å²	141.3	78%	0.78	76%	0.764	S	S	*	*			trans	65.6	160.3	155.7	-79.6	172.9	11.8	0	0	118.9
346	Q	26.9	Very low	30.1	Very low	181 Å²	181	140.9 Å²	140.9	85%	0.846	76%	0.761	S	S	*	*			cis	-153.1	-169.7	-32.3	-137.2	173	5	0	0	110.2
347	N	26.9	Very low	31.5	Very low	129 Å²	129	139.5 Å²	139.5	69%	0.69	76%	0.761	S	S	*	*			trans	-118.7	144.7	-164.7	173.8	31.1	0	0	0	113.2
348	Q	30.8	Very low	30.9	Very low	155 Å²	155	139.4 Å²	139.4	72%	0.724	77%	0.77	S	S	*	*				163.3	131.2	127.8	-90.6	177.6	85.6	0	0	119.4
349	N	29.7	Very low	30.9	Very low	136 Å²	136	137 Å²	137	73%	0.727	78%	0.777	S	S	*	*				72	152.2	128.4	-69.6	-25.1	0	0	0	127.6
350	A	29.9	Very low	30.8	Very low	92 Å²	92	134 Å²	134	76%	0.76	78%	0.779	S	S	*	*			trans	96.2	144.9	153.3	0	0	0	0	0	120.6
351	Q	32.2	Very low	31	Very low	195 Å²	195	136.1 Å²	136.1	91%	0.911	79%	0.786	S	S	*	*			cis	-172.6	148.9	-24	-179.8	163.2	-20.6	0	0	112.9
352	G	29.5	Very low	31.3	Very low	71 Å²	71	133 Å²	133	73%	0.732	78%	0.781	S	S	*	*			trans	109.2	157.6	158.3	0	0	0	0	0	118.3
353	D	30.6	Very low	30.6	Very low	123 Å²	123	133.5 Å²	133.5	66%	0.658	78%	0.782	S	S	*	*			cis	-167.2	140	-11.2	-158	38.2	0	0	0	114.8
354	K	36.7	Very low	30.8	Very low	158 Å²	158	136.9 Å²	136.9	69%	0.687	78%	0.783	S	S	*	*			trans	44.6	165.2	155.3	-64.6	172.6	-164.7	79.3	0	121.4
355	R	26.2	Very low	31	Very low	232 Å²	232	138.1 Å²	138.1	88%	0.875	79%	0.79	S	S	*	*			cis	-157.6	-170	5.3	-136.9	175	-176.4	169.3	-0.6	113.1
356	L	32.1	Very low	31.1	Very low	158 Å²	158	134.3 Å²	134.3	83%	0.827	79%	0.788	S	S	*	*			trans	-146.3	-176.7	-174.3	-82.2	176.5	0	0	0	110.7
357	P	60.6	Low	31.9	Very low	114 Å²	114	131 Å²	131	74%	0.74	78%	0.782	S	S	*	*			cis	-142	-174.7	-31.6	37	-16.2	0	0	0	117.4
358	A	29.5	Very low	32.2	Very low	107 Å²	107	131 Å²	131	88%	0.884	79%	0.786	S	S	*	*			trans	83.5	142.8	142.9	0	0	0	0	0	125.8
359	G	24.7	Very low	32.9	Very low	83 Å²	83	129.5 Å²	129.5	86%	0.856	79%	0.79	S	S	*	*			trans	136.4	81.7	140.7	0	0	0	0	0	125.5
360	G	27.8	Very low	32.8	Very low	77 Å²	77	126.4 Å²	126.4	79%	0.794	79%	0.79	S	S	*	*			trans	65.5	134.7	130.9	0	0	0	0	0	128.3
361	K	30.4	Very low	32.8	Very low	217 Å²	217	131.3 Å²	131.3	94%	0.943	80%	0.798	S	S	*	*			trans	70.5	155.1	153.6	-66	-175.9	180	-179.3	0	120
362	A	29.7	Very low	32.5	Very low	86 Å²	86	128.2 Å²	128.2	71%	0.711	79%	0.792	S	S	*	*			cis	-172.1	175.5	-22.8	0	0	0	0	0	112.9
363	V	30.5	Very low	33.4	Very low	127 Å²	127	129.7 Å²	129.7	77%	0.77	79%	0.789	S	S	*	*			trans	96.5	104.8	158.1	-170.4	0	0	0	0	122.2
364	N	28.2	Very low	33.3	Very low	141 Å²	141	131.5 Å²	131.5	75%	0.754	79%	0.793	S	S	*	*			trans	31.7	130.1	135.6	-49.5	-6.8	0	0	0	125.3
365	T	30.3	Very low	32.9	Very low	151 Å²	151	130.1 Å²	130.1	93%	0.926	79%	0.793	S	S	*	*				-163.5	166.3	117.7	6.8	0	0	0	0	112.7
366	A	30.4	Very low	33.1	Very low	88 Å²	88	127.2 Å²	127.2	73%	0.727	79%	0.789	S	S	*	*			trans	-141.5	-177.3	-177.2	0	0	0	0	0	108.6
367	P	42.5	Very low	33	Very low	110 Å²	110	124.7 Å²	124.7	71%	0.714	79%	0.785	S	S	*	*			cis	-140.6	158.8	17.4	49.7	-31.2	0	0	0	116.3
368	V	34.4	Very low	31.6	Very low	131 Å²	131	125.2 Å²	125.2	79%	0.794	78%	0.782	S	S	*	*				73.5	151.9	99.5	176.5	0	0	0	0	116
369	P	44.6	Very low	31.7	Very low	122 Å²	122	129.8 Å²	129.8	79%	0.792	78%	0.776	S	S	*	*			cis	-131.3	171	-6.3	33.4	-14.1	0	0	0	118.5
370	G	28.3	Very low	32.2	Very low	72 Å²	72	137.1 Å²	137.1	74%	0.742	78%	0.778	S	S	*	*			trans	101.1	143.1	137.8	0	0	0	0	0	118.7
371	Q	29.6	Very low	32.4	Very low	195 Å²	195	139.5 Å²	139.5	91%	0.911	78%	0.777	S	S	*	*			cis	-145.7	171.4	-6.7	-71	-174	-9.8	0	0	110.7
372	T	25.8	Very low	32.9	Very low	130 Å²	130	138.1 Å²	138.1	80%	0.798	77%	0.774	S	S	*	*			trans	-132.4	-173.3	176.4	62.2	0	0	0	0	109.1
373	P	48.2	Very low	33.5	Very low	102 Å²	102	139.2 Å²	139.2	66%	0.662	77%	0.774	S	S	*	*			cis	-134.7	-146.4	-4.9	42.3	-21.7	0	0	0	113.6
374	H	28.8	Very low	33.7	Very low	161 Å²	161	144.4 Å²	144.4	75%	0.745	78%	0.78	S	S	*	*			trans	86.5	134.4	175.1	-69.2	-74.8	0	0	0	117.9
375	D	29	Very low	34	Very low	129 Å²	129	143.5 Å²	143.5	69%	0.69	78%	0.784	S	S	*	*			cis	-158.3	176.5	-16.8	-142.5	-23.8	0	0	0	112.7
376	E	29.4	Very low	34.7	Very low	170 Å²	170	139 Å²	139	79%	0.794	76%	0.759	S	S	*	*			trans	-63.2	161.7	171.2	-56.2	-173.9	45.8	0	0	112.5
377	S	30.7	Very low	35.5	Very low	106 Å²	106	140.9 Å²	140.9	74%	0.741	76%	0.761	S	S	*	*			cis	-172.8	138	45.5	37.2	0	0	0	0	115.6
378	D	31.6	Very low	35.7	Very low	124 Å²	124	139.2 Å²	139.2	66%	0.663	75%	0.752	S	S	*	*			trans	59.1	150.5	134.5	-145.4	7.1	0	0	0	124.7
379	R	31.8	Very low	36.1	Very low	203 Å²	203	137.3 Å²	137.3	77%	0.766	74%	0.737	S	S	*	*			trans	74.2	96.8	160.5	-79.3	158.5	-136.6	-148.9	1.8	122.8
380	R	35.1	Very low	36.1	Very low	238 Å²	238	137.4 Å²	137.4	90%	0.898	73%	0.73	S	S	*	*				23.9	127.6	123.1	-65.5	-179.7	175.6	180	-0.9	118.9
381	T	31.8	Very low	37	Very low	127 Å²	127	138.2 Å²	138.2	78%	0.779	72%	0.721	S	S	*	*				-174.1	125.7	107.3	-74.9	0	0	0	0	110.6
382	E	41.1	Very low	37.6	Very low	187 Å²	187	133.6 Å²	133.6	87%	0.874	70%	0.703	S	S	*	*			trans	-78.1	139.5	160.6	-81.2	-161.1	150.3	0	0	110.6
383	P	42.3	Very low	38.2	Very low	109 Å²	109	130.6 Å²	130.6	71%	0.708	69%	0.687	S	S	*	*			trans	-138.4	109	137.3	32.3	-16.2	0	0	0	113.1
384	R	34.8	Very low	37.7	Very low	237 Å²	237	132.1 Å²	132.1	89%	0.894	69%	0.689	S	S	*	*			trans	35.5	107.9	140	-66	179.2	164.7	118.4	0.1	117.5
385	S	34.6	Very low	38.5	Very low	122 Å²	122	128.7 Å²	128.7	85%	0.853	68%	0.679	S	S	*	*			trans	-50.7	144.4	166.7	47.1	0	0	0	0	113.1
386	S	44.9	Very low	39	Very low	55 Å²	55	126.3 Å²	126.3	39%	0.385	67%	0.673	S	S	.	*			trans	-101.7	156.3	-176.1	86.1	0	0	0	0	111.8	S388 D389	S386-S388 PolarHBondContact O-N 2.92Å; S386-S388 VanDerWaalsContact O-N 3.15Å; S386-S388 VanDerWaalsContact OG-CB 3.26Å; S386-S388 WeakPolarHBondContact OG-CB 3.34Å; S386-S388 PolarHBondContact OG-N 3.19Å; S386-S388 PolarHBondContact OG-OG 2.97Å; S386-D389 WeakPolarHBondContact CB-OD2 3.42Å; S386-D389 PolarHBondContact N-OD2 2.93Å; S386-D389 VanDerWaalsContact N-OD2 3.16Å; S386-D389 PolarHBondContact O-N 2.95Å; S386-D389 VanDerWaalsContact O-OD2 3.09Å; S386-D389 PolarHBondContact OG-OD2 3.29Å
387	V	47	Very low	39.4	Very low	129 Å²	129	126.2 Å²	126.2	78%	0.782	67%	0.672	S	S	*	*	H	α-helix	trans	-65.7	-16.3	176.4	-177.9	0	0	0	0	112	D389	V387-D389 VanDerWaalsContact C-N 3.3Å; V387-D389 PolarHBondContact O-N 3.03Å
388	S	45.4	Very low	39.7	Very low	74 Å²	74	129.6 Å²	129.6	52%	0.517	68%	0.679	S	S	.	*	H	α-helix	trans	-61.3	-36.5	176.5	-26.4	0	0	0	0	112.8	S386 L390 V391 N392	S386-S388 PolarHBondContact O-N 2.92Å; S386-S388 VanDerWaalsContact O-N 3.15Å; S386-S388 VanDerWaalsContact OG-CB 3.26Å; S386-S388 WeakPolarHBondContact OG-CB 3.34Å; S386-S388 PolarHBondContact OG-N 3.19Å; S386-S388 PolarHBondContact OG-OG 2.97Å; S388-L390 PolarHBondContact O-N 2.9Å; S388-V391 PolarHBondContact O-N 3.01Å; S388-N392 PolarHBondContact O-N 2.78Å
389	D	44.2	Very low	40.1	Very low	91 Å²	91	130.3 Å²	130.3	49%	0.487	68%	0.681	S	S	.	*	H	α-helix	trans	-74.5	-32.2	-166.6	-54.7	-59.2	0	0	0	111.8	S386 V387 V391 N392 S393	S386-D389 WeakPolarHBondContact CB-OD2 3.42Å; S386-D389 PolarHBondContact N-OD2 2.93Å; S386-D389 VanDerWaalsContact N-OD2 3.16Å; S386-D389 PolarHBondContact O-N 2.95Å; S386-D389 VanDerWaalsContact O-OD2 3.09Å; S386-D389 PolarHBondContact OG-OD2 3.29Å; V387-D389 VanDerWaalsContact C-N 3.3Å; V387-D389 PolarHBondContact O-N 3.03Å; D389-V391 VanDerWaalsContact C-N 3.32Å; D389-V391 PolarHBondContact O-N 2.72Å; D389-N392 PolarHBondContact O-N 3.07Å; D389-S393 PolarHBondContact O-N 2.94Å
390	L	44.7	Very low	40.3	Very low	124 Å²	124	128.7 Å²	128.7	65%	0.649	69%	0.685	S	S	*	*	H	α-helix	trans	-68.1	-30.1	175	-169.7	64.8	0	0	0	112.7	S388 L394	S388-L390 PolarHBondContact O-N 2.9Å; L390-L394 PolarHBondContact O-N 2.95Å
391	V	46.6	Very low	40.1	Very low	90 Å²	90	125.6 Å²	125.6	55%	0.545	69%	0.685	S	S	.	*	H	α-helix	trans	-72.2	-38.2	178.4	-179	0	0	0	0	111	S388 D389 T395	S388-V391 PolarHBondContact O-N 3.01Å; D389-V391 VanDerWaalsContact C-N 3.32Å; D389-V391 PolarHBondContact O-N 2.72Å; V391-T395 PolarHBondContact O-N 3.02Å; V391-T395 PolarHBondContact O-OG1 3Å
392	N	41.7	Very low	40.1	Very low	98 Å²	98	125 Å²	125	52%	0.524	69%	0.686	S	S	.	*	H	α-helix	trans	-69.4	-32.6	177.1	-69.4	-25.8	0	0	0	112.5	S388 D389 T395 S396	S388-N392 PolarHBondContact O-N 2.78Å; D389-N392 PolarHBondContact O-N 3.07Å; N392-T395 PolarHBondContact O-N 3.34Å; N392-T395 PolarHBondContact O-OG1 2.88Å; N392-S396 PolarHBondContact O-N 3.29Å; N392-S396 PolarHBondContact O-OG 2.84Å
393	S	38.1	Very low	40	Very low	67 Å²	67	122.7 Å²	122.7	47%	0.469	69%	0.687	S	S	.	*	H	α-helix	trans	-60.7	-52.6	174.7	-170	0	0	0	0	111.5	D389 T395 S396	D389-S393 PolarHBondContact O-N 2.94Å; S393-T395 PolarHBondContact O-N 3.3Å; S393-T395 VanDerWaalsContact O-N 3.09Å; S393-S396 PolarHBondContact O-N 3.01Å
394	L	39.1	Very low	39.5	Very low	134 Å²	134	120.9 Å²	120.9	70%	0.702	69%	0.688	S	S	*	*	H	α-helix	trans	-63.6	-16.2	-179.6	-76.5	167.5	0	0	0	114.9	L390	L390-L394 PolarHBondContact O-N 2.95Å
395	T	45	Very low	39.5	Very low	89 Å²	89	115.2 Å²	115.2	55%	0.546	69%	0.685	S	S	.	*	H	α-helix	trans	-92.7	-12.1	172.6	49.4	0	0	0	0	114.3	V391 N392 S393	V391-T395 PolarHBondContact O-N 3.02Å; V391-T395 PolarHBondContact O-OG1 3Å; N392-T395 PolarHBondContact O-N 3.34Å; N392-T395 PolarHBondContact O-OG1 2.88Å; S393-T395 PolarHBondContact O-N 3.3Å; S393-T395 VanDerWaalsContact O-N 3.09Å
396	S	39.7	Very low	39.5	Very low	79 Å²	79	118.7 Å²	118.7	55%	0.552	69%	0.688	S	S	*	*	H	α-helix	trans	-91.1	-32	-172.2	-60.6	0	0	0	0	113.4	N392 S393 M398	N392-S396 PolarHBondContact O-N 3.29Å; N392-S396 PolarHBondContact O-OG 2.84Å; S393-S396 PolarHBondContact O-N 3.01Å; S396-M398 VanDerWaalsContact C-N 3.3Å; S396-M398 PolarHBondContact O-N 2.83Å
397	E	37.3	Very low	39.3	Very low	168 Å²	168	125.6 Å²	125.6	79%	0.785	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-73.2	-17.1	-179.7	-65.3	-168.6	137.2	0	0	114	L399	E397-L399 VanDerWaalsContact C-N 3.35Å; E397-L399 PolarHBondContact O-N 3.48Å
398	M	36.7	Very low	38.9	Very low	177 Å²	177	127.3 Å²	127.3	87%	0.872	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-92.1	25.7	-173.5	-148.5	175.8	-163.9	0	0	114.9	S396	S396-M398 VanDerWaalsContact C-N 3.3Å; S396-M398 PolarHBondContact O-N 2.83Å
399	L	40.7	Very low	38.7	Very low	138 Å²	138	132.2 Å²	132.2	72%	0.723	73%	0.734	S	S	*	*	G	3₁₀ helix	trans	-132.3	9.8	-174.6	-79.3	176.8	0	0	0	116.6	E397	E397-L399 VanDerWaalsContact C-N 3.35Å; E397-L399 PolarHBondContact O-N 3.48Å
400	M	35.4	Very low	38.7	Very low	169 Å²	169	131.5 Å²	131.5	83%	0.833	74%	0.74	S	S	*	*			trans	-117	70.9	-177	-68.3	-62.2	-74.2	0	0	114.5
401	L	30.8	Very low	38.2	Very low	174 Å²	174	135 Å²	135	91%	0.911	75%	0.753	S	S	*	*			trans	-143.8	75.9	151.1	-79.2	-174	0	0	0	109.9
402	S	31.3	Very low	38	Very low	113 Å²	113	140.6 Å²	140.6	79%	0.79	77%	0.773	S	S	*	*			trans	-108.4	120.4	161.3	-64.5	0	0	0	0	108
403	P	39.9	Very low	37.4	Very low	139 Å²	139	139.2 Å²	139.2	90%	0.903	78%	0.782	S	S	*	*			trans	-78.6	126.1	-179.5	30.1	-33	0	0	0	111.7
404	G	31.2	Very low	36.9	Very low	71 Å²	71	141.8 Å²	141.8	73%	0.732	80%	0.798	S	S	*	*			trans	179.9	141.2	170.8	0	0	0	0	0	108.4
405	S	34.4	Very low	36.5	Very low	118 Å²	118	140.7 Å²	140.7	83%	0.825	80%	0.802	S	S	*	*			cis	-162.9	134.9	3.3	51.7	0	0	0	0	110.9
406	E	34.5	Very low	36.6	Very low	195 Å²	195	147.6 Å²	147.6	91%	0.911	82%	0.818	S	S	*	*			trans	-150	146.1	154.8	48.3	-152.8	135.5	0	0	109.4
407	E	42.7	Very low	37.7	Very low	201 Å²	201	150.7 Å²	150.7	94%	0.939	82%	0.824	S	S	*	*			trans	-98.4	110.5	-174.9	-63	179.3	154	0	0	108.5
408	D	36.9	Very low	39.8	Very low	164 Å²	164	148 Å²	148	88%	0.877	82%	0.815	S	S	*	*			trans	-147.5	154.6	165.7	-144.8	-18.8	0	0	0	110.9
409	E	42	Very low	42.4	Very low	178 Å²	178	139.9 Å²	139.9	83%	0.832	78%	0.775	S	S	*	*			trans	-79.1	140.6	-158.2	-82.5	-86.3	114	0	0	115.2
410	A	43.6	Very low	45	Very low	76 Å²	76	133.3 Å²	133.3	63%	0.628	74%	0.741	S	S	*	*			trans	52.8	88.1	150	0	0	0	0	0	120.1
411	H	34.7	Very low	47.9	Very low	198 Å²	198	128.8 Å²	128.8	92%	0.917	72%	0.715	S	S	*	*			trans	-151.1	127.4	136.8	-97.8	-1.3	0	0	0	113.5	G413	H411-G413 PolarHBondContact O-N 2.53Å; H411-G413 VanDerWaalsContact O-N 3.1Å
412	E	41.8	Very low	51.1	Low	207 Å²	207	120.5 Å²	120.5	97%	0.967	67%	0.671	S	S	*	*			trans	-71.2	98.8	169.2	-78.8	-164.3	118	0	0	110.9
413	G	30.1	Very low	54.3	Low	69 Å²	69	116.5 Å²	116.5	71%	0.711	64%	0.64	S	S	*	*			trans	-111.3	82.2	177.2	0	0	0	0	0	113.1	H411 S415	H411-G413 PolarHBondContact O-N 2.53Å; H411-G413 VanDerWaalsContact O-N 3.1Å; G413-S415 PolarHBondContact O-N 3.4Å
414	C	26.8	Very low	57.1	Low	120 Å²	120	110 Å²	110	81%	0.811	60%	0.597	S	S	*	*			trans	-60.4	111.6	170.5	178.9	0	0	0	0	110	R416	C414-R416 VanDerWaalsContact C-N 3.34Å; C414-R416 PolarHBondContact O-N 2.95Å
415	S	32.2	Very low	60.3	Low	112 Å²	112	106.8 Å²	106.8	78%	0.783	56%	0.564	S	S	*	*			trans	-65.9	88.2	-178.7	59.8	0	0	0	0	111.2	G413 E417	G413-S415 PolarHBondContact O-N 3.4Å; S415-E417 PolarHBondContact O-N 2.79Å; S415-E417 VanDerWaalsContact O-N 3.16Å
416	R	46.4	Very low	63.3	Low	233 Å²	233	101.2 Å²	101.2	88%	0.879	53%	0.525	S	S	*	.			trans	-61.4	114.6	172.7	-80.2	177	153.1	168.6	-4.2	109.6	C414 N418	C414-R416 VanDerWaalsContact C-N 3.34Å; C414-R416 PolarHBondContact O-N 2.95Å; R416-N418 PolarHBondContact O-N 2.9Å
417	E	62.2	Low	66.3	Low	145 Å²	145	92.1 Å²	92.1	68%	0.678	48%	0.484	S	S	*	.			trans	-53.5	120.6	164.1	-63.1	-178.4	167.3	0	0	108.7	S415 L419	S415-E417 PolarHBondContact O-N 2.79Å; S415-E417 VanDerWaalsContact O-N 3.16Å; E417-L419 HydrophobicContact CB-CD2 4.32Å; E417-L419 HydrophobicContact CB-CG 4.47Å; E417-L419 PolarHBondContact O-N 3.03Å
418	N	80.6	Confident	68.9	Low	110 Å²	110	83.3 Å²	83.3	59%	0.588	44%	0.442	S	S	*	.			trans	-76.3	113.3	172.6	-175.4	5.2	0	0	0	108.4	R416 G420	R416-N418 PolarHBondContact O-N 2.9Å; N418-G420 PolarHBondContact OD1-N 2.82Å
419	L	91.9	Very high	71.7	Confident	7 Å²	7	77.9 Å²	77.9	4%	0.037	41%	0.413	C	S	.	.			trans	-101.7	10.1	-179.2	-58.6	170.1	0	0	0	112.2	E417 P446 L540 P542	E417-L419 HydrophobicContact CB-CD2 4.32Å; E417-L419 HydrophobicContact CB-CG 4.47Å; E417-L419 PolarHBondContact O-N 3.03Å; L419-P446 HydrophobicContact CD2-CG 4.08Å; L419-P446 WeakPolarHBondContact O-CD 3.45Å; L419-L540 HydrophobicContact CB-CB 4.01Å; L419-L540 VanDerWaalsContact O-CD1 3.3Å; L419-L540 WeakPolarHBondContact O-CD1 3.5Å; L419-P542 HydrophobicContact CD1-CB 4.08Å; L419-P542 HydrophobicContact CD1-CG 3.84Å; L419-P542 VanDerWaalsContact CD1-N 3.26Å
420	G	94.9	Very high	74.2	Confident	1 Å²	1	74.5 Å²	74.5	1%	0.01	40%	0.396	C	S	.	.			trans	81.5	-170.3	-175.8	0	0	0	0	0	113.3	N418 Q443 E444 L540	N418-G420 PolarHBondContact OD1-N 2.82Å; G420-Q443 CarbonylContact C-O 3.52Å; G420-Q443 WeakPolarHBondContact CA-O 3.46Å; G420-E444 WeakPolarHBondContact CA-O 3.32Å; G420-E444 PolarHBondContact N-O 2.86Å; G420-L540 WeakPolarHBondContact O-CB 3.15Å; G420-L540 PolarHBondContact O-N 3.26Å
421	R	97.4	Very high	76.6	Confident	73 Å²	73	79.7 Å²	79.7	28%	0.275	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	148.3	-179.6	55.9	170.8	176.6	-93.2	-4.1	112.2	A442 Q443 E444 W537 K538	R421-A442 CarbonylContact O-C 3.6Å; R421-A442 WeakPolarHBondContact O-CA 3.48Å; R421-A442 WeakPolarHBondContact O-CB 3.31Å; R421-Q443 HydrophobicContact CG-CB 4.23Å; R421-Q443 PolarHBondContact N-O 2.7Å; R421-Q443 PolarHBondContact O-N 2.77Å; R421-E444 IonicContact CZ-OE1 3.46Å; R421-E444 IonicContact CZ-OE2 3.77Å; R421-E444 IonicContact NH1-OE1 2.72Å; R421-E444 PolarHBondContact NH1-OE1 3.24Å; R421-E444 IonicContact NH1-OE2 2.76Å; R421-E444 PolarHBondContact NH1-OE2 3.4Å; R421-E444 IonicContact NH2-OE1 2.7Å; R421-E444 PolarHBondContact NH2-OE1 2.83Å; R421-W537 HydrophobicContact CB-CE3 4.16Å; R421-W537 HydrophobicContact CB-CZ3 4.42Å; R421-W537 HydrophobicContact CG-CE3 3.81Å; R421-W537 HydrophobicContact CG-CZ3 3.76Å; R421-K538 WeakPolarHBondContact CA-O 3.47Å
422	I	98.3	Very high	79.4	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	138.8	179.6	-173.3	168.5	0	0	0	111.4	F424 I439 A442 V458 W483 L504 V506 V521 W537 K538 L540	I422-F424 HydrophobicContact CG2-CD1 4.33Å; I422-F424 HydrophobicContact CG2-CE1 4.41Å; I422-I439 HydrophobicContact CD1-CG2 4.3Å; I422-A442 HydrophobicContact CB-CB 4.45Å; I422-V458 HydrophobicContact CD1-CG1 4.06Å; I422-V458 HydrophobicContact CD1-CG2 3.98Å; I422-W483 HydrophobicContact CD1-CZ3 4.49Å; I422-L504 HydrophobicContact CD1-CD1 4.3Å; I422-V506 HydrophobicContact CD1-CG2 3.95Å; I422-V521 HydrophobicContact CG2-CG1 4.12Å; I422-V521 HydrophobicContact CG2-CG2 3.73Å; I422-W537 WeakPolarHBondContact O-CA 3.16Å; I422-K538 PolarHBondContact N-O 3.44Å; I422-K538 PolarHBondContact O-N 3.2Å; I422-L540 HydrophobicContact CG2-CD2 4.1Å; I422-L540 HydrophobicContact CG2-CG 4.41Å
423	Q	98.5	Very high	82	Confident	29 Å²	29	68.5 Å²	68.5	14%	0.136	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127.1	171	-164.9	-179.1	22.9	0	0	110.4	M440 K441 T535 F536 W537	Q423-M440 HydrophobicContact CB-CB 4.35Å; Q423-M440 HydrophobicContact CG-CB 4.35Å; Q423-M440 HydrophobicContact CG-SD 4.11Å; Q423-M440 WeakPolarHBondContact O-CB 3.26Å; Q423-M440 PolarHBondContact O-N 2.87Å; Q423-K441 HydrophobicContact CB-CG 4.02Å; Q423-K441 PolarHBondContact N-O 2.99Å; Q423-K441 PolarHBondContact O-N 3.5Å; Q423-T535 HydrophobicContact CG-CG2 3.98Å; Q423-F536 WeakPolarHBondContact CA-O 3.41Å; Q423-W537 HydrophobicContact CB-CD2 3.8Å; Q423-W537 HydrophobicContact CB-CE3 3.74Å; Q423-W537 HydrophobicContact CB-CH2 3.75Å; Q423-W537 HydrophobicContact CB-CZ2 3.8Å; Q423-W537 HydrophobicContact CB-CZ3 3.72Å; Q423-W537 HydrophobicContact CG-CD2 4.03Å; Q423-W537 HydrophobicContact CG-CE3 4.48Å; Q423-W537 HydrophobicContact CG-CG 4.45Å; Q423-W537 HydrophobicContact CG-CZ2 4.07Å
424	F	98.4	Very high	85.1	Confident	2 Å²	2	65.5 Å²	65.5	1%	0.009	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	163.1	174.2	62.6	-83.6	0	0	0	110.5	I422 K438 I439 L502 L504 V521 I523 F536 K538	I422-F424 HydrophobicContact CG2-CD1 4.33Å; I422-F424 HydrophobicContact CG2-CE1 4.41Å; F424-K438 CarbonylContact C-O 3.58Å; F424-K438 WeakPolarHBondContact CA-O 3.41Å; F424-K438 WeakPolarHBondContact CB-O 3.47Å; F424-I439 HydrophobicContact CB-CD1 3.93Å; F424-L502 HydrophobicContact CD2-CD2 4.27Å; F424-L502 HydrophobicContact CE2-CD2 3.88Å; F424-L504 HydrophobicContact CB-CD1 4.28Å; F424-L504 HydrophobicContact CD1-CD1 3.46Å; F424-L504 VanDerWaalsContact CD1-CD1 3.46Å; F424-L504 HydrophobicContact CD2-CD1 4Å; F424-L504 HydrophobicContact CE1-CD1 3.62Å; F424-L504 HydrophobicContact CE2-CD1 4.13Å; F424-L504 HydrophobicContact CG-CD1 3.65Å; F424-L504 HydrophobicContact CZ-CD1 3.94Å; F424-V521 HydrophobicContact CE1-CG2 4.14Å; F424-I523 HydrophobicContact CE2-CD1 4.18Å; F424-I523 HydrophobicContact CZ-CD1 3.6Å; F424-I523 HydrophobicContact CZ-CG1 4.28Å; F424-F536 HydrophobicContact CE1-CB 4.43Å; F424-F536 HydrophobicContact CE2-CB 4.47Å; F424-F536 HydrophobicContact CE2-CD2 4.29Å; F424-F536 HydrophobicContact CZ-CB 4.26Å; F424-F536 PolarHBondContact N-O 3.41Å; F424-F536 VanDerWaalsContact N-O 3.08Å; F424-F536 PolarHBondContact O-N 2.8Å; F424-K538 HydrophobicContact CE1-CB 4.46Å; F424-K538 HydrophobicContact CE1-CG 4.13Å; F424-K538 HydrophobicContact CZ-CG 4.4Å
425	S	97.8	Very high	88.4	Confident	5 Å²	5	59.8 Å²	59.8	4%	0.035	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	152.8	169.6	50.2	0	0	0	0	112.3	V437 K438 M533 Q534 T535	S425-V437 CarbonylContact O-C 3.49Å; S425-V437 WeakPolarHBondContact O-CA 3.37Å; S425-K438 PolarHBondContact N-O 2.63Å; S425-K438 PolarHBondContact O-N 3.18Å; S425-M533 WeakPolarHBondContact OG-CE 3.44Å; S425-Q534 CarbonylContact C-O 3.58Å; S425-Q534 WeakPolarHBondContact CA-O 3.32Å; S425-Q534 WeakPolarHBondContact CB-O 3.48Å; S425-T535 WeakPolarHBondContact CB-OG1 2.96Å
426	V	97.9	Very high	91.5	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	140.9	-178.9	59.9	0	0	0	0	110.2	L435 T436 V437 L502 L525 V528 L530 Q534 F536	V426-L435 HydrophobicContact CG2-CD1 3.72Å; V426-L435 HydrophobicContact CG2-CG 4.43Å; V426-T436 VanDerWaalsContact CA-O 3.3Å; V426-T436 WeakPolarHBondContact CA-O 3.25Å; V426-V437 HydrophobicContact CB-CG2 4.49Å; V426-V437 HydrophobicContact CG2-CG2 3.97Å; V426-L502 HydrophobicContact CB-CD2 4.35Å; V426-L502 HydrophobicContact CG2-CD2 4.33Å; V426-L525 HydrophobicContact CG2-CD2 4.48Å; V426-V528 HydrophobicContact CG1-CG1 4.32Å; V426-L530 HydrophobicContact CG1-CD2 4.35Å; V426-L530 HydrophobicContact CG2-CD2 3.79Å; V426-Q534 PolarHBondContact N-O 3.39Å; V426-Q534 PolarHBondContact O-N 2.61Å; V426-F536 HydrophobicContact CG1-CD2 4.11Å; V426-F536 HydrophobicContact CG1-CE2 3.77Å
427	G	97.1	Very high	94	Very high	4 Å²	4	44.7 Å²	44.7	4%	0.041	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	162.3	177.5	0	0	0	0	0	110.8	T436	G427-T436 PolarHBondContact N-O 2.58Å; G427-T436 VanDerWaalsContact N-O 3.1Å; G427-T436 PolarHBondContact O-N 3.29Å
428	Y	97.6	Very high	95.7	Very high	16 Å²	16	40.9 Å²	40.9	6%	0.063	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.9	-174	-179	-98.3	0	0	0	111.7	F430 S433 T434 L435 F492 Y494 V497 L530	Y428-F430 AromaticContact CD1-CD1 3.93Å; Y428-F430 HydrophobicContact CD1-CD1 3.93Å; Y428-F430 AromaticContact CD1-CD2 3.92Å; Y428-F430 HydrophobicContact CD1-CD2 3.92Å; Y428-F430 AromaticContact CD1-CE1 3.94Å; Y428-F430 HydrophobicContact CD1-CE1 3.94Å; Y428-F430 AromaticContact CD1-CE2 3.93Å; Y428-F430 HydrophobicContact CD1-CE2 3.93Å; Y428-F430 AromaticContact CD1-CG 3.92Å; Y428-F430 HydrophobicContact CD1-CG 3.92Å; Y428-F430 AromaticContact CD1-CZ 3.94Å; Y428-F430 HydrophobicContact CD1-CZ 3.94Å; Y428-F430 HydrophobicContact CE1-CB 4.36Å; Y428-F430 AromaticContact CE1-CD1 3.62Å; Y428-F430 HydrophobicContact CE1-CD1 3.62Å; Y428-F430 HydrophobicContact CE1-CD2 4.35Å; Y428-F430 AromaticContact CE1-CE1 3.9Å; Y428-F430 HydrophobicContact CE1-CE1 3.9Å; Y428-F430 AromaticContact CE1-CG 3.86Å; Y428-F430 HydrophobicContact CE1-CG 3.86Å; Y428-F430 HydrophobicContact CE1-CZ 4.38Å; Y428-S433 VanDerWaalsContact OH-CA 3.27Å; Y428-S433 WeakPolarHBondContact OH-CA 3.39Å; Y428-S433 WeakPolarHBondContact OH-CB 3.23Å; Y428-T434 WeakPolarHBondContact CA-O 3.3Å; Y428-T434 WeakPolarHBondContact CD2-O 3.43Å; Y428-L435 HydrophobicContact CD2-CB 4.14Å; Y428-F492 VanDerWaalsContact CE2-O 3.3Å; Y428-F492 WeakPolarHBondContact CE2-O 3.03Å; Y428-F492 PolarHBondContact OH-O 2.74Å; Y428-Y494 AromaticContact CD1-CD2 3.55Å; Y428-Y494 HydrophobicContact CD1-CD2 3.55Å; Y428-Y494 HydrophobicContact CD1-CE2 4.29Å; Y428-Y494 HydrophobicContact CD1-CG 4.41Å; Y428-Y494 AromaticContact CE1-CD2 3.78Å; Y428-Y494 HydrophobicContact CE1-CD2 3.78Å; Y428-Y494 HydrophobicContact CE1-CG 4.21Å; Y428-Y494 AromaticContact CG-CD2 3.97Å; Y428-Y494 HydrophobicContact CG-CD2 3.97Å; Y428-Y494 PolarHBondContact OH-N 2.73Å; Y428-Y494 VanDerWaalsContact OH-N 3.15Å; Y428-V497 HydrophobicContact CD2-CG2 3.79Å; Y428-V497 HydrophobicContact CE2-CG2 3.63Å; Y428-L530 PolarHBondContact N-O 3.05Å
429	N	95.9	Very high	96.6	Very high	50 Å²	50	35.7 Å²	35.7	27%	0.267	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	112.9	171.6	-172.6	-4.5	0	0	0	110.1	Q431 E432 S433 T434	N429-Q431 VanDerWaalsContact C-N 3.34Å; N429-Q431 PolarHBondContact O-N 3.4Å; N429-Q431 WeakPolarHBondContact OD1-CB 3.32Å; N429-Q431 PolarHBondContact OD1-N 2.99Å; N429-E432 HydrophobicContact CB-CB 4.38Å; N429-E432 VanDerWaalsContact ND2-CG 3.35Å; N429-E432 WeakPolarHBondContact ND2-CG 3.31Å; N429-E432 PolarHBondContact ND2-OE2 3.1Å; N429-S433 VanDerWaalsContact O-CA 3.26Å; N429-S433 WeakPolarHBondContact O-CA 3.49Å; N429-S433 PolarHBondContact O-N 3.26Å; N429-T434 PolarHBondContact N-O 3.02Å; N429-T434 PolarHBondContact O-N 3.03Å; N429-T434 VanDerWaalsContact O-N 3.09Å
430	F	94.2	Very high	96.9	Very high	106 Å²	106	37.2 Å²	37.2	47%	0.465	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-30.1	176.9	-68.8	-90.6	0	0	0	113.5	Y428 Y494 T531	Y428-F430 AromaticContact CD1-CD1 3.93Å; Y428-F430 HydrophobicContact CD1-CD1 3.93Å; Y428-F430 AromaticContact CD1-CD2 3.92Å; Y428-F430 HydrophobicContact CD1-CD2 3.92Å; Y428-F430 AromaticContact CD1-CE1 3.94Å; Y428-F430 HydrophobicContact CD1-CE1 3.94Å; Y428-F430 AromaticContact CD1-CE2 3.93Å; Y428-F430 HydrophobicContact CD1-CE2 3.93Å; Y428-F430 AromaticContact CD1-CG 3.92Å; Y428-F430 HydrophobicContact CD1-CG 3.92Å; Y428-F430 AromaticContact CD1-CZ 3.94Å; Y428-F430 HydrophobicContact CD1-CZ 3.94Å; Y428-F430 HydrophobicContact CE1-CB 4.36Å; Y428-F430 AromaticContact CE1-CD1 3.62Å; Y428-F430 HydrophobicContact CE1-CD1 3.62Å; Y428-F430 HydrophobicContact CE1-CD2 4.35Å; Y428-F430 AromaticContact CE1-CE1 3.9Å; Y428-F430 HydrophobicContact CE1-CE1 3.9Å; Y428-F430 AromaticContact CE1-CG 3.86Å; Y428-F430 HydrophobicContact CE1-CG 3.86Å; Y428-F430 HydrophobicContact CE1-CZ 4.38Å; F430-Y494 HydrophobicContact CE1-CD1 4.14Å; F430-Y494 AromaticContact CE1-CD2 3.73Å; F430-Y494 HydrophobicContact CE1-CD2 3.73Å; F430-Y494 HydrophobicContact CE1-CE2 4.16Å; F430-Y494 AromaticContact CE1-CG 3.72Å; F430-Y494 HydrophobicContact CE1-CG 3.72Å; F430-Y494 AromaticContact CZ-CD2 3.78Å; F430-Y494 HydrophobicContact CZ-CD2 3.78Å; F430-Y494 AromaticContact CZ-CE2 3.76Å; F430-Y494 HydrophobicContact CZ-CE2 3.76Å; F430-Y494 HydrophobicContact CZ-CG 4.18Å; F430-T531 HydrophobicContact CE2-CG2 4.03Å; F430-T531 HydrophobicContact CZ-CG2 4.29Å
431	Q	94.2	Very high	97	Very high	185 Å²	185	39.3 Å²	39.3	86%	0.864	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-41	-178.2	-61.7	-179.1	-6.3	0	0	111.7	N429	N429-Q431 VanDerWaalsContact C-N 3.34Å; N429-Q431 PolarHBondContact O-N 3.4Å; N429-Q431 WeakPolarHBondContact OD1-CB 3.32Å; N429-Q431 PolarHBondContact OD1-N 2.99Å
432	E	93.3	Very high	97.1	Very high	128 Å²	128	35.8 Å²	35.8	60%	0.598	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-11.7	178.5	-64.9	169.1	158.5	0	0	112.8	N429 T434	N429-E432 HydrophobicContact CB-CB 4.38Å; N429-E432 VanDerWaalsContact ND2-CG 3.35Å; N429-E432 WeakPolarHBondContact ND2-CG 3.31Å; N429-E432 PolarHBondContact ND2-OE2 3.1Å; E432-T434 VanDerWaalsContact C-N 3.32Å; E432-T434 WeakPolarHBondContact CB-OG1 3.46Å; E432-T434 PolarHBondContact O-OG1 2.82Å
433	S	95.3	Very high	97	Very high	42 Å²	42	38 Å²	38	29%	0.294	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	46.8	-166.3	-65.5	0	0	0	0	113.4	Y428 N429 G491 F492	Y428-S433 VanDerWaalsContact OH-CA 3.27Å; Y428-S433 WeakPolarHBondContact OH-CA 3.39Å; Y428-S433 WeakPolarHBondContact OH-CB 3.23Å; N429-S433 VanDerWaalsContact O-CA 3.26Å; N429-S433 WeakPolarHBondContact O-CA 3.49Å; N429-S433 PolarHBondContact O-N 3.26Å; S433-G491 PolarHBondContact O-N 3.07Å; S433-F492 PolarHBondContact O-N 3.1Å
434	T	95.9	Very high	96.8	Very high	6 Å²	6	40.7 Å²	40.7	4%	0.037	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	125.4	-172	-63.4	0	0	0	0	111.3	Y428 N429 E432 L488 F489 E490	Y428-T434 WeakPolarHBondContact CA-O 3.3Å; Y428-T434 WeakPolarHBondContact CD2-O 3.43Å; N429-T434 PolarHBondContact N-O 3.02Å; N429-T434 PolarHBondContact O-N 3.03Å; N429-T434 VanDerWaalsContact O-N 3.09Å; E432-T434 VanDerWaalsContact C-N 3.32Å; E432-T434 WeakPolarHBondContact CB-OG1 3.46Å; E432-T434 PolarHBondContact O-OG1 2.82Å; T434-L488 HydrophobicContact CG2-CB 4.01Å; T434-L488 HydrophobicContact CG2-CD2 4.15Å; T434-F489 WeakPolarHBondContact CA-O 3.37Å; T434-E490 HydrophobicContact CG2-CG 4.07Å
435	L	96.8	Very high	96.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	122.9	165.8	179	74	0	0	0	109.6	V426 Y428 V437 L462 F489 V497 L525 L530	V426-L435 HydrophobicContact CG2-CD1 3.72Å; V426-L435 HydrophobicContact CG2-CG 4.43Å; Y428-L435 HydrophobicContact CD2-CB 4.14Å; L435-V437 HydrophobicContact CD2-CG2 4.34Å; L435-V437 HydrophobicContact CG-CG2 4.35Å; L435-L462 HydrophobicContact CD2-CD1 4Å; L435-L462 HydrophobicContact CD2-CD2 3.89Å; L435-F489 HydrophobicContact CB-CB 4.24Å; L435-F489 HydrophobicContact CB-CD2 4.47Å; L435-F489 HydrophobicContact CD2-CD2 4.17Å; L435-F489 HydrophobicContact CG-CD2 4.46Å; L435-F489 PolarHBondContact N-O 3.16Å; L435-F489 VanDerWaalsContact N-O 3.11Å; L435-F489 PolarHBondContact O-N 3.18Å; L435-V497 HydrophobicContact CD1-CG1 3.91Å; L435-V497 HydrophobicContact CD2-CG1 4.19Å; L435-V497 HydrophobicContact CG-CG1 4.48Å; L435-L525 HydrophobicContact CD2-CD1 3.81Å; L435-L530 HydrophobicContact CD1-CD1 4.48Å; L435-L530 HydrophobicContact CD1-CD2 4.14Å
436	T	97.6	Very high	96.4	Very high	28 Å²	28	42 Å²	42	17%	0.172	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	127.1	176.7	-62.9	0	0	0	0	109.6	V426 G427 T486 L488 M533	V426-T436 VanDerWaalsContact CA-O 3.3Å; V426-T436 WeakPolarHBondContact CA-O 3.25Å; G427-T436 PolarHBondContact N-O 2.58Å; G427-T436 VanDerWaalsContact N-O 3.1Å; G427-T436 PolarHBondContact O-N 3.29Å; T436-T486 HydrophobicContact CG2-CG2 3.7Å; T436-L488 HydrophobicContact CG2-CD2 3.99Å; T436-L488 WeakPolarHBondContact OG1-CD2 3.16Å; T436-M533 HydrophobicContact CG2-CE 3.78Å; T436-M533 HydrophobicContact CG2-SD 4.45Å
437	V	98	Very high	96.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	122.1	172.7	179.2	0	0	0	0	108.8	S425 V426 L435 I439 F487 F489 L502	S425-V437 CarbonylContact O-C 3.49Å; S425-V437 WeakPolarHBondContact O-CA 3.37Å; V426-V437 HydrophobicContact CB-CG2 4.49Å; V426-V437 HydrophobicContact CG2-CG2 3.97Å; L435-V437 HydrophobicContact CD2-CG2 4.34Å; L435-V437 HydrophobicContact CG-CG2 4.35Å; V437-I439 HydrophobicContact CG1-CD1 4.03Å; V437-F487 PolarHBondContact N-O 2.95Å; V437-F487 PolarHBondContact O-N 3.17Å; V437-F489 HydrophobicContact CB-CE2 4.46Å; V437-F489 HydrophobicContact CG2-CD2 4.46Å; V437-F489 HydrophobicContact CG2-CE2 3.99Å; V437-L502 HydrophobicContact CG1-CD1 4.28Å; V437-L502 HydrophobicContact CG1-CD2 4.09Å; V437-L502 HydrophobicContact CG2-CD1 4.1Å; V437-L502 HydrophobicContact CG2-CD2 4.09Å
438	K	98.3	Very high	95.5	Very high	66 Å²	66	47.8 Å²	47.8	29%	0.287	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	115	179.1	-176.9	177.3	-177.8	178	0	110.9	F424 S425 M440 E485 T486 M533	F424-K438 CarbonylContact C-O 3.58Å; F424-K438 WeakPolarHBondContact CA-O 3.41Å; F424-K438 WeakPolarHBondContact CB-O 3.47Å; S425-K438 PolarHBondContact N-O 2.63Å; S425-K438 PolarHBondContact O-N 3.18Å; K438-M440 HydrophobicContact CG-CG 4.3Å; K438-M440 PolarHBondContact O-N 3.19Å; K438-E485 CarbonylContact C-O 3.49Å; K438-E485 WeakPolarHBondContact CA-O 3.46Å; K438-T486 HydrophobicContact CB-CG2 4.46Å; K438-M533 HydrophobicContact CB-CE 3.85Å; K438-M533 HydrophobicContact CD-CE 4.33Å
439	I	98.4	Very high	94.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	111.1	175.4	-52.4	-53.4	0	0	0	108.1	I422 F424 V437 V458 I460 T472 W483 N484 E485 F487 L504	I422-I439 HydrophobicContact CD1-CG2 4.3Å; F424-I439 HydrophobicContact CB-CD1 3.93Å; V437-I439 HydrophobicContact CG1-CD1 4.03Å; I439-V458 HydrophobicContact CG2-CB 4.34Å; I439-V458 HydrophobicContact CG2-CG2 3.92Å; I439-I460 HydrophobicContact CD1-CD1 4.1Å; I439-I460 HydrophobicContact CD1-CG1 4.38Å; I439-I460 HydrophobicContact CG1-CD1 3.62Å; I439-I460 HydrophobicContact CG1-CG1 4.27Å; I439-T472 HydrophobicContact CB-CG2 4.06Å; I439-T472 HydrophobicContact CG1-CG2 4.13Å; I439-T472 HydrophobicContact CG2-CG2 4.08Å; I439-W483 HydrophobicContact CG2-CB 4.44Å; I439-W483 HydrophobicContact CG2-CD2 4.19Å; I439-W483 HydrophobicContact CG2-CE3 3.66Å; I439-W483 HydrophobicContact CG2-CZ3 4.22Å; I439-N484 CarbonylContact O-C 3.56Å; I439-N484 VanDerWaalsContact O-CA 3.25Å; I439-N484 WeakPolarHBondContact O-CA 3.32Å; I439-N484 PolarHBondContact O-N 3.27Å; I439-E485 PolarHBondContact N-O 3.04Å; I439-E485 PolarHBondContact O-N 2.92Å; I439-F487 HydrophobicContact CB-CE2 4.46Å; I439-F487 HydrophobicContact CG1-CD2 4.23Å; I439-F487 HydrophobicContact CG1-CE2 3.96Å; I439-L504 HydrophobicContact CD1-CD1 3.89Å; I439-L504 HydrophobicContact CD1-CD2 3.8Å
440	M	98.4	Very high	93.4	Very high	40 Å²	40	56.7 Å²	56.7	20%	0.197	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-67.7	-171.9	-63.3	176	63.6	0	0	110.9	Q423 K438 W483 N484 T535	Q423-M440 HydrophobicContact CB-CB 4.35Å; Q423-M440 HydrophobicContact CG-CB 4.35Å; Q423-M440 HydrophobicContact CG-SD 4.11Å; Q423-M440 WeakPolarHBondContact O-CB 3.26Å; Q423-M440 PolarHBondContact O-N 2.87Å; K438-M440 HydrophobicContact CG-CG 4.3Å; K438-M440 PolarHBondContact O-N 3.19Å; M440-W483 PolarHBondContact O-N 3.3Å; M440-N484 PolarHBondContact O-N 3.03Å; M440-T535 HydrophobicContact SD-CG2 3.79Å
441	K	98.1	Very high	92.6	Very high	44 Å²	44	54.2 Å²	54.2	19%	0.191	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	168.3	-177.1	59.2	173.9	178.2	164.3	0	111.9	Q423 P481 H482 W537	Q423-K441 HydrophobicContact CB-CG 4.02Å; Q423-K441 PolarHBondContact N-O 2.99Å; Q423-K441 PolarHBondContact O-N 3.5Å; K441-P481 CarbonylContact C-O 3.12Å; K441-P481 WeakPolarHBondContact CA-O 3.1Å; K441-P481 WeakPolarHBondContact CB-O 3.3Å; K441-H482 HydrophobicContact CB-CB 4.45Å; K441-H482 WeakPolarHBondContact CD-NE2 3.34Å; K441-W537 HydrophobicContact CD-CH2 4.28Å; K441-W537 HydrophobicContact CG-CH2 4.17Å
442	A	98.2	Very high	92	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	165.5	160.8	0	0	0	0	0	110.7	R421 I422 L445 N480 P481 W483	R421-A442 CarbonylContact O-C 3.6Å; R421-A442 WeakPolarHBondContact O-CA 3.48Å; R421-A442 WeakPolarHBondContact O-CB 3.31Å; I422-A442 HydrophobicContact CB-CB 4.45Å; A442-L445 HydrophobicContact CB-CD1 4Å; A442-L445 HydrophobicContact CB-CD2 3.92Å; A442-L445 HydrophobicContact CB-CG 4.03Å; A442-N480 CarbonylContact O-C 3.52Å; A442-N480 VanDerWaalsContact O-CA 3.31Å; A442-N480 WeakPolarHBondContact O-CA 3.31Å; A442-P481 HydrophobicContact CB-CG 3.97Å; A442-P481 PolarHBondContact N-O 2.82Å; A442-W483 HydrophobicContact CB-CH2 3.91Å; A442-W483 HydrophobicContact CB-CZ3 3.72Å
443	Q	97.2	Very high	91.8	Very high	47 Å²	47	43.2 Å²	43.2	22%	0.22	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	154.4	177	-74.5	179.9	-47.3	0	0	110.6	G420 R421 L445 N480 W537	G420-Q443 CarbonylContact C-O 3.52Å; G420-Q443 WeakPolarHBondContact CA-O 3.46Å; R421-Q443 HydrophobicContact CG-CB 4.23Å; R421-Q443 PolarHBondContact N-O 2.7Å; R421-Q443 PolarHBondContact O-N 2.77Å; Q443-L445 PolarHBondContact O-N 3.49Å; Q443-N480 VanDerWaalsContact CA-OD1 3.24Å; Q443-N480 WeakPolarHBondContact CA-OD1 3.21Å; Q443-W537 HydrophobicContact CB-CH2 4.49Å; Q443-W537 HydrophobicContact CB-CZ3 4.47Å; Q443-W537 HydrophobicContact CG-CH2 3.9Å; Q443-W537 HydrophobicContact CG-CZ3 4.34Å
444	E	95	Very high	91.7	Very high	84 Å²	84	41.2 Å²	41.2	39%	0.393	22%	0.224	S	C	.	.	S	Bend	trans	56.8	30.6	171.8	-65.6	147.9	-127.9	0	0	113.5	G420 R421 N480	G420-E444 WeakPolarHBondContact CA-O 3.32Å; G420-E444 PolarHBondContact N-O 2.86Å; R421-E444 IonicContact CZ-OE1 3.46Å; R421-E444 IonicContact CZ-OE2 3.77Å; R421-E444 IonicContact NH1-OE1 2.72Å; R421-E444 PolarHBondContact NH1-OE1 3.24Å; R421-E444 IonicContact NH1-OE2 2.76Å; R421-E444 PolarHBondContact NH1-OE2 3.4Å; R421-E444 IonicContact NH2-OE1 2.7Å; R421-E444 PolarHBondContact NH2-OE1 2.83Å; E444-N480 PolarHBondContact N-OD1 3.2Å
445	L	95.6	Very high	91.6	Very high	5 Å²	5	42 Å²	42	3%	0.026	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-66.3	141.4	176.9	-60	-176.7	0	0	0	110.5	A442 Q443 P456 L479 P481 V506 I518 L540	A442-L445 HydrophobicContact CB-CD1 4Å; A442-L445 HydrophobicContact CB-CD2 3.92Å; A442-L445 HydrophobicContact CB-CG 4.03Å; Q443-L445 PolarHBondContact O-N 3.49Å; L445-P456 HydrophobicContact CD1-CB 3.76Å; L445-P456 HydrophobicContact CD1-CG 3.83Å; L445-L479 HydrophobicContact CB-CB 4.5Å; L445-L479 WeakPolarHBondContact CB-O 3.44Å; L445-L479 WeakPolarHBondContact CG-O 3.45Å; L445-L479 PolarHBondContact N-O 3.48Å; L445-L479 VanDerWaalsContact N-O 3.1Å; L445-L479 WeakPolarHBondContact O-CB 3.22Å; L445-L479 WeakPolarHBondContact O-CD2 3.34Å; L445-P481 HydrophobicContact CD1-CG 3.75Å; L445-V506 HydrophobicContact CD1-CG1 4.19Å; L445-V506 HydrophobicContact CD2-CG1 4.45Å; L445-I518 HydrophobicContact CD2-CG2 4.18Å; L445-L540 HydrophobicContact CD2-CD1 3.32Å
446	P	91.9	Very high	91.6	Very high	29 Å²	29	42 Å²	42	19%	0.188	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-69	144.8	174.1	29	-36.1	0	0	0	111.1	L419 S454 I518	L419-P446 HydrophobicContact CD2-CG 4.08Å; L419-P446 WeakPolarHBondContact O-CD 3.45Å; P446-S454 PolarHBondContact O-OG 2.97Å; P446-I518 HydrophobicContact CG-CG2 3.86Å
447	A	90.4	Very high	91.6	Very high	46 Å²	46	41 Å²	41	38%	0.38	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-64.5	129.5	163	0	0	0	0	0	109.8	T453 S454 L479	A447-T453 WeakPolarHBondContact CA-O 3.4Å; A447-S454 WeakPolarHBondContact CA-OG 3.22Å; A447-L479 HydrophobicContact CB-CD1 4.47Å
448	K	84.6	Confident	91.6	Very high	82 Å²	82	41 Å²	41	36%	0.357	22%	0.222	S	C	.	.			trans	-109.6	-31.3	170	-63	-63.9	-171.9	179.9	0	111.5	T453 S454 D508 D516 I518	K448-T453 PolarHBondContact N-O 3.42Å; K448-S454 PolarHBondContact N-OG 2.84Å; K448-S454 VanDerWaalsContact N-OG 3.08Å; K448-D508 HydrophobicContact CB-CB 4.27Å; K448-D508 WeakPolarHBondContact CB-OD2 3.45Å; K448-D508 HydrophobicContact CG-CB 4.45Å; K448-D516 HydrophobicContact CB-CB 4.49Å; K448-I518 HydrophobicContact CG-CG1 3.95Å
449	D	77.3	Confident	91.4	Very high	64 Å²	64	39.4 Å²	39.4	34%	0.342	22%	0.215	S	C	.	.	S	Bend	trans	-73.8	144.5	-179.7	-153.1	27.1	0	0	0	111.7	S451 G452 T453	D449-S451 WeakPolarHBondContact CB-OG 3.25Å; D449-S451 PolarHBondContact O-N 3.32Å; D449-S451 WeakPolarHBondContact OD2-CB 3.4Å; D449-S451 PolarHBondContact OD2-OG 3.07Å; D449-G452 PolarHBondContact O-N 2.99Å; D449-G452 VanDerWaalsContact O-N 3.1Å; D449-T453 WeakPolarHBondContact CB-O 3.31Å; D449-T453 PolarHBondContact N-O 3.31Å
450	F	71.9	Confident	91.3	Very high	188 Å²	188	39.4 Å²	39.4	83%	0.825	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-9.3	172.9	-64.1	-81.9	0	0	0	113.4	G452	F450-G452 PolarHBondContact O-N 3.18Å
451	S	77.5	Confident	91	Very high	54 Å²	54	39.1 Å²	39.1	38%	0.378	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-6.1	174.4	68.4	0	0	0	0	114.2	D449 T453	D449-S451 WeakPolarHBondContact CB-OG 3.25Å; D449-S451 PolarHBondContact O-N 3.32Å; D449-S451 WeakPolarHBondContact OD2-CB 3.4Å; D449-S451 PolarHBondContact OD2-OG 3.07Å; S451-T453 PolarHBondContact O-N 3.5Å; S451-T453 PolarHBondContact OG-N 3.06Å; S451-T453 PolarHBondContact OG-OG1 3.18Å
452	G	82.3	Confident	90.8	Very high	51 Å²	51	37.3 Å²	37.3	53%	0.526	20%	0.204	S	C	.	.	S	Bend	trans	74.3	14.3	-171.5	0	0	0	0	0	113.2	D449 F450	D449-G452 PolarHBondContact O-N 2.99Å; D449-G452 VanDerWaalsContact O-N 3.1Å; F450-G452 PolarHBondContact O-N 3.18Å
453	T	89.6	Confident	90.3	Very high	32 Å²	32	39 Å²	39	20%	0.196	21%	0.213	C	C	.	.	S	Bend	trans	-133.6	-165.8	177.3	66.8	0	0	0	0	110.3	A447 K448 D449 S451 K477	A447-T453 WeakPolarHBondContact CA-O 3.4Å; K448-T453 PolarHBondContact N-O 3.42Å; D449-T453 WeakPolarHBondContact CB-O 3.31Å; D449-T453 PolarHBondContact N-O 3.31Å; S451-T453 PolarHBondContact O-N 3.5Å; S451-T453 PolarHBondContact OG-N 3.06Å; S451-T453 PolarHBondContact OG-OG1 3.18Å; T453-K477 HydrophobicContact CG2-CB 4.33Å; T453-K477 WeakPolarHBondContact OG1-CA 3.11Å; T453-K477 WeakPolarHBondContact OG1-CB 3.32Å; T453-K477 WeakPolarHBondContact OG1-CG 3.15Å
454	S	92.4	Very high	89.7	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.234	C	C	.	.			trans	-148.6	155.2	172.8	-55.6	0	0	0	0	108.2	P446 A447 K448 P456 K477 N478 L479 D508	P446-S454 PolarHBondContact O-OG 2.97Å; A447-S454 WeakPolarHBondContact CA-OG 3.22Å; K448-S454 PolarHBondContact N-OG 2.84Å; K448-S454 VanDerWaalsContact N-OG 3.08Å; S454-P456 WeakPolarHBondContact O-CD 3.43Å; S454-K477 CarbonylContact O-C 3.4Å; S454-K477 WeakPolarHBondContact O-CA 3.31Å; S454-K477 PolarHBondContact O-N 2.97Å; S454-K477 VanDerWaalsContact O-N 3.1Å; S454-N478 PolarHBondContact O-N 2.81Å; S454-L479 WeakPolarHBondContact OG-CD2 3.41Å; S454-D508 VanDerWaalsContact CA-OD2 3.24Å; S454-D508 WeakPolarHBondContact CA-OD2 3.41Å; S454-D508 WeakPolarHBondContact CB-OD2 3.37Å; S454-D508 PolarHBondContact OG-OD2 2.94Å
455	D	94.6	Very high	88.9	Confident	21 Å²	21	39.9 Å²	39.9	11%	0.112	23%	0.228	C	C	.	.			trans	-101.9	60.4	170.8	-86.4	20.6	0	0	0	110.8	V474 R476 K477 D508 Y509	D455-V474 HydrophobicContact CB-CG1 3.9Å; D455-V474 WeakPolarHBondContact O-CG1 3.45Å; D455-R476 WeakPolarHBondContact OD1-CA 3.12Å; D455-R476 WeakPolarHBondContact OD1-CB 3.13Å; D455-R476 WeakPolarHBondContact OD2-CD 3.31Å; D455-R476 WeakPolarHBondContact OD2-CG 3.3Å; D455-R476 IonicContact OD2-NE 2.67Å; D455-K477 PolarHBondContact OD1-N 2.88Å; D455-D508 VanDerWaalsContact CA-OD1 3.29Å; D455-D508 WeakPolarHBondContact CA-OD1 3.43Å; D455-D508 WeakPolarHBondContact CB-OD1 3.29Å; D455-D508 PolarHBondContact N-OD1 3.07Å; D455-Y509 WeakPolarHBondContact O-CB 3.5Å; D455-Y509 PolarHBondContact O-N 3.35Å
456	P	96.7	Very high	87.9	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	149.1	-166.4	28.9	-39.5	0	0	0	115.8	L445 S454 K475 N478 P481 W483 V506 L507 I518	L445-P456 HydrophobicContact CD1-CB 3.76Å; L445-P456 HydrophobicContact CD1-CG 3.83Å; S454-P456 WeakPolarHBondContact O-CD 3.43Å; P456-K475 VanDerWaalsContact CD-O 3.27Å; P456-K475 WeakPolarHBondContact CD-O 3.22Å; P456-K475 PolarHBondContact O-N 2.9Å; P456-N478 WeakPolarHBondContact CD-O 3.18Å; P456-N478 WeakPolarHBondContact CG-O 3.29Å; P456-P481 HydrophobicContact CB-CG 4.35Å; P456-P481 HydrophobicContact CG-CB 3.9Å; P456-P481 HydrophobicContact CG-CG 3.66Å; P456-W483 HydrophobicContact CB-CZ2 4.17Å; P456-V506 HydrophobicContact CB-CG1 4.38Å; P456-L507 VanDerWaalsContact CA-O 3.32Å; P456-L507 WeakPolarHBondContact CA-O 3.42Å; P456-I518 HydrophobicContact CB-CD1 4.22Å
457	F	97.6	Very high	86.9	Confident	8 Å²	8	54.2 Å²	54.2	4%	0.035	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	164.8	167.8	75.4	-68.6	0	0	0	110.7	K459 E471 V474 L507 N515	F457-K459 HydrophobicContact CD2-CG 4.44Å; F457-K459 HydrophobicContact CE2-CD 4.36Å; F457-K459 HydrophobicContact CE2-CG 3.76Å; F457-K459 HydrophobicContact CZ-CG 4.41Å; F457-E471 HydrophobicContact CD2-CB 4.45Å; F457-V474 HydrophobicContact CB-CG2 4.19Å; F457-V474 HydrophobicContact CD1-CG2 4.49Å; F457-V474 HydrophobicContact CG-CG2 4.38Å; F457-L507 HydrophobicContact CD1-CB 4.41Å; F457-L507 VanDerWaalsContact CD1-O 3.31Å; F457-L507 WeakPolarHBondContact CD1-O 3.35Å; F457-L507 HydrophobicContact CE1-CB 3.72Å; F457-L507 HydrophobicContact CE1-CD1 4.44Å; F457-L507 HydrophobicContact CE2-CD1 4.5Å; F457-L507 HydrophobicContact CZ-CB 4.13Å; F457-L507 HydrophobicContact CZ-CD1 4.08Å; F457-L507 PolarHBondContact N-O 3.1Å; F457-L507 PolarHBondContact O-N 3.34Å; F457-N515 HydrophobicContact CE1-CB 4.08Å; F457-N515 WeakPolarHBondContact CE1-ND2 3.08Å; F457-N515 HydrophobicContact CZ-CB 4.24Å; F457-N515 WeakPolarHBondContact CZ-ND2 3.43Å
458	V	97.5	Very high	86.4	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	132.1	-177.3	-165.6	0	0	0	0	110.5	I422 I439 E471 T472 W483 L504 Q505 V506	I422-V458 HydrophobicContact CD1-CG1 4.06Å; I422-V458 HydrophobicContact CD1-CG2 3.98Å; I439-V458 HydrophobicContact CG2-CB 4.34Å; I439-V458 HydrophobicContact CG2-CG2 3.92Å; V458-E471 WeakPolarHBondContact O-CA 3.16Å; V458-T472 HydrophobicContact CB-CG2 3.92Å; V458-T472 HydrophobicContact CG2-CG2 4.32Å; V458-T472 PolarHBondContact N-OG1 3.18Å; V458-T472 PolarHBondContact O-N 2.69Å; V458-W483 HydrophobicContact CG2-CD2 4.17Å; V458-W483 HydrophobicContact CG2-CE3 4.03Å; V458-W483 HydrophobicContact CG2-CH2 3.37Å; V458-W483 HydrophobicContact CG2-CZ2 3.56Å; V458-W483 HydrophobicContact CG2-CZ3 3.62Å; V458-L504 HydrophobicContact CG1-CB 4.09Å; V458-Q505 CarbonylContact C-O 3.57Å; V458-Q505 WeakPolarHBondContact CA-O 3.2Å; V458-V506 HydrophobicContact CG1-CG2 4.41Å; V458-V506 HydrophobicContact CG2-CG2 4.18Å
459	K	94.9	Very high	86.6	Confident	32 Å²	32	57.7 Å²	57.7	14%	0.139	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	140	167.3	-54.7	-177.1	-178.3	145.2	0	110.2	F457 Y461 L470 E471 L504 Q505 L507	F457-K459 HydrophobicContact CD2-CG 4.44Å; F457-K459 HydrophobicContact CE2-CD 4.36Å; F457-K459 HydrophobicContact CE2-CG 3.76Å; F457-K459 HydrophobicContact CZ-CG 4.41Å; K459-Y461 HydrophobicContact CB-CD2 4.36Å; K459-Y461 HydrophobicContact CB-CE2 3.63Å; K459-Y461 HydrophobicContact CD-CE2 4.43Å; K459-L470 CarbonylContact C-O 3.54Å; K459-L470 WeakPolarHBondContact CA-O 3.37Å; K459-E471 HydrophobicContact CB-CG 4.48Å; K459-E471 VanDerWaalsContact CD-OE1 3.3Å; K459-E471 WeakPolarHBondContact CD-OE1 3.22Å; K459-E471 WeakPolarHBondContact CE-OE1 3.36Å; K459-E471 HydrophobicContact CG-CG 4.05Å; K459-E471 WeakPolarHBondContact CG-OE1 3.45Å; K459-L504 WeakPolarHBondContact O-CA 3.14Å; K459-Q505 HydrophobicContact CB-CB 4.46Å; K459-Q505 PolarHBondContact N-O 3.46Å; K459-Q505 PolarHBondContact O-N 3.1Å; K459-L507 HydrophobicContact CB-CD1 4.47Å; K459-L507 HydrophobicContact CD-CD1 3.65Å; K459-L507 HydrophobicContact CG-CD1 3.68Å; K459-L507 VanDerWaalsContact NZ-CD2 3.28Å
460	I	95.9	Very high	87.4	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	129.3	-170.2	-50.2	170.6	0	0	0	108.6	I439 K469 L470 F487 F489 L502 L504	I439-I460 HydrophobicContact CD1-CD1 4.1Å; I439-I460 HydrophobicContact CD1-CG1 4.38Å; I439-I460 HydrophobicContact CG1-CD1 3.62Å; I439-I460 HydrophobicContact CG1-CG1 4.27Å; I460-K469 WeakPolarHBondContact O-CA 3.17Å; I460-L470 HydrophobicContact CB-CB 4.27Å; I460-L470 HydrophobicContact CD1-CB 4.49Å; I460-L470 PolarHBondContact N-O 2.65Å; I460-L470 PolarHBondContact O-N 2.82Å; I460-F487 HydrophobicContact CD1-CB 4.43Å; I460-F487 HydrophobicContact CD1-CD1 4.02Å; I460-F487 HydrophobicContact CD1-CD2 3.27Å; I460-F487 HydrophobicContact CD1-CE1 4.07Å; I460-F487 HydrophobicContact CD1-CE2 3.36Å; I460-F487 HydrophobicContact CD1-CG 3.63Å; I460-F487 HydrophobicContact CD1-CZ 3.77Å; I460-F489 HydrophobicContact CG2-CZ 4.23Å; I460-L502 HydrophobicContact CG2-CD1 3.96Å; I460-L504 HydrophobicContact CB-CD2 4.2Å; I460-L504 HydrophobicContact CG1-CD2 3.96Å; I460-L504 HydrophobicContact CG2-CD2 3.85Å
461	Y	92.3	Very high	88.5	Confident	34 Å²	34	51.8 Å²	51.8	13%	0.133	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	148.4	-178.2	-61.2	-100.1	0	0	0	111.5	K459 K469 Y503	K459-Y461 HydrophobicContact CB-CD2 4.36Å; K459-Y461 HydrophobicContact CB-CE2 3.63Å; K459-Y461 HydrophobicContact CD-CE2 4.43Å; Y461-K469 HydrophobicContact CD1-CB 4.05Å; Y461-K469 HydrophobicContact CE1-CB 3.55Å; Y461-K469 HydrophobicContact CE2-CB 4.4Å; Y461-Y503 AromaticContact CD2-CD1 3.69Å; Y461-Y503 HydrophobicContact CD2-CD1 3.69Å; Y461-Y503 HydrophobicContact CD2-CE1 4.17Å; Y461-Y503 HydrophobicContact CE2-CD1 4.38Å; Y461-Y503 HydrophobicContact CE2-CE1 4.42Å; Y461-Y503 HydrophobicContact CG-CD1 4.25Å; Y461-Y503 PolarHBondContact N-O 3.15Å; Y461-Y503 PolarHBondContact O-N 3.26Å
462	L	92.6	Very high	89.5	Confident	7 Å²	7	49.7 Å²	49.7	4%	0.037	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	77.7	170.1	-67	-177	0	0	0	110.1	L435 D465 F489 R500 L502 L525	L435-L462 HydrophobicContact CD2-CD1 4Å; L435-L462 HydrophobicContact CD2-CD2 3.89Å; L462-D465 WeakPolarHBondContact O-CB 3.5Å; L462-D465 PolarHBondContact O-N 2.88Å; L462-D465 VanDerWaalsContact O-N 3.12Å; L462-F489 HydrophobicContact CD1-CB 4.23Å; L462-F489 HydrophobicContact CD1-CD1 3.51Å; L462-F489 HydrophobicContact CD1-CD2 3.93Å; L462-F489 HydrophobicContact CD1-CE1 3.7Å; L462-F489 HydrophobicContact CD1-CE2 4.11Å; L462-F489 HydrophobicContact CD1-CG 3.63Å; L462-F489 HydrophobicContact CD1-CZ 3.99Å; L462-F489 HydrophobicContact CG-CD1 4.25Å; L462-F489 HydrophobicContact CG-CE1 3.91Å; L462-F489 HydrophobicContact CG-CE2 4.26Å; L462-F489 HydrophobicContact CG-CZ 3.91Å; L462-R500 HydrophobicContact CB-CB 4.35Å; L462-R500 HydrophobicContact CB-CG 4.28Å; L462-R500 PolarHBondContact O-NH1 3.03Å; L462-L502 HydrophobicContact CD2-CB 4.43Å; L462-L502 HydrophobicContact CD2-CD1 4.03Å; L462-L525 HydrophobicContact CD2-CD1 4.23Å
463	L	87.5	Confident	90.2	Very high	34 Å²	34	52.3 Å²	52.3	18%	0.178	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	140	-176.8	-61.8	-178.9	0	0	0	110.7	K466 R500 I501 Y503	L463-K466 HydrophobicContact CD2-CD 4.37Å; L463-K466 HydrophobicContact CD2-CG 3.56Å; L463-R500 WeakPolarHBondContact O-CA 3.22Å; L463-R500 WeakPolarHBondContact O-CD 3.39Å; L463-I501 HydrophobicContact CB-CB 4.23Å; L463-I501 PolarHBondContact N-O 3.2Å; L463-I501 PolarHBondContact O-N 2.9Å; L463-I501 VanDerWaalsContact O-N 3.09Å; L463-Y503 HydrophobicContact CD1-CD2 4.09Å; L463-Y503 HydrophobicContact CD1-CG 3.85Å; L463-Y503 HydrophobicContact CG-CG 4.36Å
464	P	84.8	Confident	90.5	Very high	103 Å²	103	53.2 Å²	53.2	67%	0.669	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	cis	-80.9	-0.9	16.4	31.7	-37.2	0	0	0	116.5	K466	P464-K466 PolarHBondContact O-N 3.45Å
465	D	79.1	Confident	90.8	Very high	48 Å²	48	55.9 Å²	55.9	26%	0.257	27%	0.268	S	S	.	.			trans	-70.9	112.3	176.3	-164.5	-29.5	0	0	0	111.2	L462 K467 H468	L462-D465 WeakPolarHBondContact O-CB 3.5Å; L462-D465 PolarHBondContact O-N 2.88Å; L462-D465 VanDerWaalsContact O-N 3.12Å; D465-K467 WeakPolarHBondContact OD1-CA 3.4Å; D465-K467 WeakPolarHBondContact OD1-CB 3.26Å; D465-K467 PolarHBondContact OD1-N 3.3Å; D465-H468 PolarHBondContact OD1-N 2.88Å; D465-H468 IonicContact OD1-ND1 3.34Å; D465-H468 PolarHBondContact OD1-ND1 1.8Å; D465-H468 IonicContact OD2-CE1 3.89Å; D465-H468 IonicContact OD2-CG 3.1Å; D465-H468 IonicContact OD2-ND1 3.85Å; D465-H468 PolarHBondContact OD2-ND1 2.9Å
466	K	75.4	Confident	90.8	Very high	162 Å²	162	63.9 Å²	63.9	70%	0.704	30%	0.296	S	S	*	.			trans	-103.7	-0.3	175	-66.5	-176.8	178.7	-175.5	0	113	L463 P464	L463-K466 HydrophobicContact CD2-CD 4.37Å; L463-K466 HydrophobicContact CD2-CG 3.56Å; P464-K466 PolarHBondContact O-N 3.45Å
467	K	70.7	Confident	90.6	Very high	172 Å²	172	70.5 Å²	70.5	75%	0.748	33%	0.325	S	S	*	.	S	Bend	trans	-90.9	-45.7	-176.9	-176	-176.4	177.7	-174.8	0	111.2	D465 K469	D465-K467 WeakPolarHBondContact OD1-CA 3.4Å; D465-K467 WeakPolarHBondContact OD1-CB 3.26Å; D465-K467 PolarHBondContact OD1-N 3.3Å; K467-K469 PolarHBondContact O-N 3.35Å
468	H	79.4	Confident	90.4	Very high	102 Å²	102	73 Å²	73	47%	0.472	34%	0.339	S	S	.	.	S	Bend	trans	-87.6	91.7	179.1	-54.9	106.5	0	0	0	109.5	D465	D465-H468 PolarHBondContact OD1-N 2.88Å; D465-H468 IonicContact OD1-ND1 3.34Å; D465-H468 PolarHBondContact OD1-ND1 1.8Å; D465-H468 IonicContact OD2-CE1 3.89Å; D465-H468 IonicContact OD2-CG 3.1Å; D465-H468 IonicContact OD2-ND1 3.85Å; D465-H468 PolarHBondContact OD2-ND1 2.9Å
469	K	88.1	Confident	90.3	Very high	99 Å²	99	75.1 Å²	75.1	43%	0.43	35%	0.35	S	S	.	.			trans	-96.3	146	172.4	66.8	171	-171	154.8	0	110.8	I460 Y461 K467 E471	I460-K469 WeakPolarHBondContact O-CA 3.17Å; Y461-K469 HydrophobicContact CD1-CB 4.05Å; Y461-K469 HydrophobicContact CE1-CB 3.55Å; Y461-K469 HydrophobicContact CE2-CB 4.4Å; K467-K469 PolarHBondContact O-N 3.35Å; K469-E471 HydrophobicContact CD-CG 4.19Å; K469-E471 WeakPolarHBondContact CD-OE1 3.44Å; K469-E471 WeakPolarHBondContact CE-OE2 3.42Å; K469-E471 IonicContact NZ-OE1 3.63Å; K469-E471 PolarHBondContact NZ-OE1 2.85Å; K469-E471 IonicContact NZ-OE2 2.75Å; K469-E471 PolarHBondContact NZ-OE2 2.78Å
470	L	93.8	Very high	90.4	Very high	56 Å²	56	77.1 Å²	77.1	29%	0.293	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	150.1	162.6	-56.5	174.1	0	0	0	108.4	K459 I460 F487 F489	K459-L470 CarbonylContact C-O 3.54Å; K459-L470 WeakPolarHBondContact CA-O 3.37Å; I460-L470 HydrophobicContact CB-CB 4.27Å; I460-L470 HydrophobicContact CD1-CB 4.49Å; I460-L470 PolarHBondContact N-O 2.65Å; I460-L470 PolarHBondContact O-N 2.82Å; L470-F487 HydrophobicContact CB-CD1 3.75Å; L470-F487 HydrophobicContact CB-CE1 4.11Å; L470-F487 HydrophobicContact CD1-CB 3.88Å; L470-F487 HydrophobicContact CD1-CD1 3.9Å; L470-F487 HydrophobicContact CD1-CG 4.28Å; L470-F487 HydrophobicContact CG-CD1 4.37Å; L470-F489 HydrophobicContact CD1-CE1 3.75Å; L470-F489 HydrophobicContact CD1-CE2 4.27Å; L470-F489 HydrophobicContact CD1-CZ 3.61Å; L470-F489 HydrophobicContact CG-CE1 4.46Å; L470-F489 HydrophobicContact CG-CZ 4.47Å
471	E	95.4	Very high	90.4	Very high	73 Å²	73	77.1 Å²	77.1	34%	0.341	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	137.2	-174.4	-55.3	-171.5	130.5	0	0	109.9	F457 V458 K459 K469	F457-E471 HydrophobicContact CD2-CB 4.45Å; V458-E471 WeakPolarHBondContact O-CA 3.16Å; K459-E471 HydrophobicContact CB-CG 4.48Å; K459-E471 VanDerWaalsContact CD-OE1 3.3Å; K459-E471 WeakPolarHBondContact CD-OE1 3.22Å; K459-E471 WeakPolarHBondContact CE-OE1 3.36Å; K459-E471 HydrophobicContact CG-CG 4.05Å; K459-E471 WeakPolarHBondContact CG-OE1 3.45Å; K469-E471 HydrophobicContact CD-CG 4.19Å; K469-E471 WeakPolarHBondContact CD-OE1 3.44Å; K469-E471 WeakPolarHBondContact CE-OE2 3.42Å; K469-E471 IonicContact NZ-OE1 3.63Å; K469-E471 PolarHBondContact NZ-OE1 2.85Å; K469-E471 IonicContact NZ-OE2 2.75Å; K469-E471 PolarHBondContact NZ-OE2 2.78Å
472	T	98.1	Very high	90.7	Very high	10 Å²	10	80.1 Å²	80.1	6%	0.061	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-74.9	167.8	173.4	67.6	0	0	0	0	111.5	I439 V458 W483 E485 F487	I439-T472 HydrophobicContact CB-CG2 4.06Å; I439-T472 HydrophobicContact CG1-CG2 4.13Å; I439-T472 HydrophobicContact CG2-CG2 4.08Å; V458-T472 HydrophobicContact CB-CG2 3.92Å; V458-T472 HydrophobicContact CG2-CG2 4.32Å; V458-T472 PolarHBondContact N-OG1 3.18Å; V458-T472 PolarHBondContact O-N 2.69Å; T472-W483 HydrophobicContact CG2-CB 4.48Å; T472-W483 HydrophobicContact CG2-CG 4.22Å; T472-W483 PolarHBondContact OG1-NE1 2.86Å; T472-E485 VanDerWaalsContact CA-OE2 3.31Å; T472-E485 WeakPolarHBondContact CA-OE2 3.45Å; T472-F487 HydrophobicContact CG2-CE2 3.94Å; T472-F487 HydrophobicContact CG2-CZ 3.83Å
473	K	97.4	Very high	91	Very high	106 Å²	106	80.3 Å²	80.3	46%	0.461	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-60.7	149	163.6	-61.8	173.3	-176.3	178.3	0	111	W483 E485	K473-W483 PolarHBondContact O-NE1 3.07Å; K473-E485 WeakPolarHBondContact CB-OE1 3.31Å; K473-E485 PolarHBondContact N-OE1 2.82Å; K473-E485 VanDerWaalsContact N-OE1 3.17Å; K473-E485 PolarHBondContact N-OE2 3.17Å
474	V	97.3	Very high	91.5	Very high	51 Å²	51	82.8 Å²	82.8	31%	0.309	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-69.3	135.9	167.2	175.6	0	0	0	0	109.7	D455 F457 R476 Y509	D455-V474 HydrophobicContact CB-CG1 3.9Å; D455-V474 WeakPolarHBondContact O-CG1 3.45Å; F457-V474 HydrophobicContact CB-CG2 4.19Å; F457-V474 HydrophobicContact CD1-CG2 4.49Å; F457-V474 HydrophobicContact CG-CG2 4.38Å; V474-R476 HydrophobicContact CG1-CG 4.41Å; V474-Y509 HydrophobicContact CB-CG 4.47Å; V474-Y509 HydrophobicContact CG1-CD1 4.11Å; V474-Y509 HydrophobicContact CG1-CG 4.02Å; V474-Y509 HydrophobicContact CG2-CD1 4.28Å; V474-Y509 HydrophobicContact CG2-CD2 3.79Å; V474-Y509 HydrophobicContact CG2-CG 3.61Å
475	K	96.8	Very high	92.1	Very high	55 Å²	55	79.5 Å²	79.5	24%	0.239	37%	0.367	C	S	.	.			trans	-116	95.5	177.6	-64.8	-72.9	169.3	155.5	0	108.9	P456 P481 H482 W483	P456-K475 VanDerWaalsContact CD-O 3.27Å; P456-K475 WeakPolarHBondContact CD-O 3.22Å; P456-K475 PolarHBondContact O-N 2.9Å; K475-P481 HydrophobicContact CB-CB 3.76Å; K475-P481 HydrophobicContact CG-CB 3.98Å; K475-H482 WeakPolarHBondContact CE-O 3.36Å; K475-H482 PolarHBondContact NZ-O 3.06Å; K475-W483 HydrophobicContact CG-CG 4.37Å
476	R	94.7	Very high	93	Very high	189 Å²	189	80.9 Å²	80.9	71%	0.713	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	140.9	-170.4	-61.3	-152	171.2	126.1	0.9	113.7	D455 V474 N478	D455-R476 WeakPolarHBondContact OD1-CA 3.12Å; D455-R476 WeakPolarHBondContact OD1-CB 3.13Å; D455-R476 WeakPolarHBondContact OD2-CD 3.31Å; D455-R476 WeakPolarHBondContact OD2-CG 3.3Å; D455-R476 IonicContact OD2-NE 2.67Å; V474-R476 HydrophobicContact CG1-CG 4.41Å; R476-N478 VanDerWaalsContact C-N 3.29Å; R476-N478 WeakPolarHBondContact O-CB 3.13Å; R476-N478 PolarHBondContact O-N 2.86Å
477	K	92.9	Very high	94	Very high	139 Å²	139	74.4 Å²	74.4	60%	0.604	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.3	46.1	172.7	-58	-164.9	173.9	-171.4	0	114.3	T453 S454 D455	T453-K477 HydrophobicContact CG2-CB 4.33Å; T453-K477 WeakPolarHBondContact OG1-CA 3.11Å; T453-K477 WeakPolarHBondContact OG1-CB 3.32Å; T453-K477 WeakPolarHBondContact OG1-CG 3.15Å; S454-K477 CarbonylContact O-C 3.4Å; S454-K477 WeakPolarHBondContact O-CA 3.31Å; S454-K477 PolarHBondContact O-N 2.97Å; S454-K477 VanDerWaalsContact O-N 3.1Å; D455-K477 PolarHBondContact OD1-N 2.88Å
478	N	93.8	Very high	95.3	Very high	60 Å²	60	70.2 Å²	70.2	32%	0.321	33%	0.334	S	S	.	.			trans	-141	106.4	-171	-170.7	-13.1	0	0	0	112.6	S454 P456 R476 N480 P481	S454-N478 PolarHBondContact O-N 2.81Å; P456-N478 WeakPolarHBondContact CD-O 3.18Å; P456-N478 WeakPolarHBondContact CG-O 3.29Å; R476-N478 VanDerWaalsContact C-N 3.29Å; R476-N478 WeakPolarHBondContact O-CB 3.13Å; R476-N478 PolarHBondContact O-N 2.86Å; N478-N480 VanDerWaalsContact C-N 3.28Å; N478-N480 PolarHBondContact O-N 3.14Å; N478-N480 WeakPolarHBondContact OD1-CA 2.98Å; N478-N480 PolarHBondContact OD1-N 3.01Å; N478-N480 PolarHBondContact OD1-O 3.13Å; N478-P481 WeakPolarHBondContact O-CD 3.12Å
479	L	95.2	Very high	95.9	Very high	45 Å²	45	66.7 Å²	66.7	24%	0.236	32%	0.317	C	S	.	.	S	Bend	trans	-79.1	-6.6	177.9	-56.7	-176	0	0	0	114.1	L445 A447 S454 P481	L445-L479 HydrophobicContact CB-CB 4.5Å; L445-L479 WeakPolarHBondContact CB-O 3.44Å; L445-L479 WeakPolarHBondContact CG-O 3.45Å; L445-L479 PolarHBondContact N-O 3.48Å; L445-L479 VanDerWaalsContact N-O 3.1Å; L445-L479 WeakPolarHBondContact O-CB 3.22Å; L445-L479 WeakPolarHBondContact O-CD2 3.34Å; A447-L479 HydrophobicContact CB-CD1 4.47Å; S454-L479 WeakPolarHBondContact OG-CD2 3.41Å; L479-P481 VanDerWaalsContact C-CD 3.4Å
480	N	96.9	Very high	96.2	Very high	74 Å²	74	67.1 Å²	67.1	40%	0.396	32%	0.321	S	S	.	.	S	Bend	trans	-127	60.3	174.6	-62.8	-83.4	0	0	0	109.9	A442 Q443 E444 N478 H482	A442-N480 CarbonylContact O-C 3.52Å; A442-N480 VanDerWaalsContact O-CA 3.31Å; A442-N480 WeakPolarHBondContact O-CA 3.31Å; Q443-N480 VanDerWaalsContact CA-OD1 3.24Å; Q443-N480 WeakPolarHBondContact CA-OD1 3.21Å; E444-N480 PolarHBondContact N-OD1 3.2Å; N478-N480 VanDerWaalsContact C-N 3.28Å; N478-N480 PolarHBondContact O-N 3.14Å; N478-N480 WeakPolarHBondContact OD1-CA 2.98Å; N478-N480 PolarHBondContact OD1-N 3.01Å; N478-N480 PolarHBondContact OD1-O 3.13Å; N480-H482 PolarHBondContact O-CD2 2.69Å
481	P	97.4	Very high	96	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	33%	0.331	C	S	.	.			trans	-71.2	134.5	-168.9	31	-38.1	0	0	0	112	K441 A442 L445 P456 K475 N478 L479 W483	K441-P481 CarbonylContact C-O 3.12Å; K441-P481 WeakPolarHBondContact CA-O 3.1Å; K441-P481 WeakPolarHBondContact CB-O 3.3Å; A442-P481 HydrophobicContact CB-CG 3.97Å; A442-P481 PolarHBondContact N-O 2.82Å; L445-P481 HydrophobicContact CD1-CG 3.75Å; P456-P481 HydrophobicContact CB-CG 4.35Å; P456-P481 HydrophobicContact CG-CB 3.9Å; P456-P481 HydrophobicContact CG-CG 3.66Å; K475-P481 HydrophobicContact CB-CB 3.76Å; K475-P481 HydrophobicContact CG-CB 3.98Å; N478-P481 WeakPolarHBondContact O-CD 3.12Å; L479-P481 VanDerWaalsContact C-CD 3.4Å; P481-W483 HydrophobicContact CB-CD2 4.43Å; P481-W483 HydrophobicContact CB-CH2 4.05Å; P481-W483 HydrophobicContact CB-CZ2 3.8Å; P481-W483 HydrophobicContact CB-CZ3 4.44Å; P481-W483 HydrophobicContact CG-CE3 4.4Å; P481-W483 HydrophobicContact CG-CH2 3.3Å; P481-W483 HydrophobicContact CG-CZ2 3.51Å; P481-W483 HydrophobicContact CG-CZ3 3.8Å
482	H	98.2	Very high	95.9	Very high	97 Å²	97	65.6 Å²	65.6	45%	0.449	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	111.9	169	-76.6	-136.8	0	0	0	109.5	K441 K475 N480	K441-H482 HydrophobicContact CB-CB 4.45Å; K441-H482 WeakPolarHBondContact CD-NE2 3.34Å; K475-H482 WeakPolarHBondContact CE-O 3.36Å; K475-H482 PolarHBondContact NZ-O 3.06Å; N480-H482 PolarHBondContact O-CD2 2.69Å
483	W	98.4	Very high	95.7	Very high	11 Å²	11	67.7 Å²	67.7	4%	0.042	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-56.6	176.2	-63.9	-78.9	0	0	0	111.5	I422 I439 M440 A442 P456 V458 T472 K473 K475 P481 E485	I422-W483 HydrophobicContact CD1-CZ3 4.49Å; I439-W483 HydrophobicContact CG2-CB 4.44Å; I439-W483 HydrophobicContact CG2-CD2 4.19Å; I439-W483 HydrophobicContact CG2-CE3 3.66Å; I439-W483 HydrophobicContact CG2-CZ3 4.22Å; M440-W483 PolarHBondContact O-N 3.3Å; A442-W483 HydrophobicContact CB-CH2 3.91Å; A442-W483 HydrophobicContact CB-CZ3 3.72Å; P456-W483 HydrophobicContact CB-CZ2 4.17Å; V458-W483 HydrophobicContact CG2-CD2 4.17Å; V458-W483 HydrophobicContact CG2-CE3 4.03Å; V458-W483 HydrophobicContact CG2-CH2 3.37Å; V458-W483 HydrophobicContact CG2-CZ2 3.56Å; V458-W483 HydrophobicContact CG2-CZ3 3.62Å; T472-W483 HydrophobicContact CG2-CB 4.48Å; T472-W483 HydrophobicContact CG2-CG 4.22Å; T472-W483 PolarHBondContact OG1-NE1 2.86Å; K473-W483 PolarHBondContact O-NE1 3.07Å; K475-W483 HydrophobicContact CG-CG 4.37Å; P481-W483 HydrophobicContact CB-CD2 4.43Å; P481-W483 HydrophobicContact CB-CH2 4.05Å; P481-W483 HydrophobicContact CB-CZ2 3.8Å; P481-W483 HydrophobicContact CB-CZ3 4.44Å; P481-W483 HydrophobicContact CG-CE3 4.4Å; P481-W483 HydrophobicContact CG-CH2 3.3Å; P481-W483 HydrophobicContact CG-CZ2 3.51Å; P481-W483 HydrophobicContact CG-CZ3 3.8Å; W483-E485 HydrophobicContact CB-CB 4.47Å; W483-E485 HydrophobicContact CB-CG 4.28Å; W483-E485 PolarHBondContact O-N 2.78Å
484	N	97.5	Very high	95.6	Very high	87 Å²	87	66.3 Å²	66.3	47%	0.465	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.2	36.4	-171	-68.1	-42.9	0	0	0	113.8	I439 M440	I439-N484 CarbonylContact O-C 3.56Å; I439-N484 VanDerWaalsContact O-CA 3.25Å; I439-N484 WeakPolarHBondContact O-CA 3.32Å; I439-N484 PolarHBondContact O-N 3.27Å; M440-N484 PolarHBondContact O-N 3.03Å
485	E	97.9	Very high	95.4	Very high	34 Å²	34	70.6 Å²	70.6	16%	0.159	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	127	-175.9	-70.3	172.4	-127.6	0	0	110.6	K438 I439 T472 K473 W483 F487	K438-E485 CarbonylContact C-O 3.49Å; K438-E485 WeakPolarHBondContact CA-O 3.46Å; I439-E485 PolarHBondContact N-O 3.04Å; I439-E485 PolarHBondContact O-N 2.92Å; T472-E485 VanDerWaalsContact CA-OE2 3.31Å; T472-E485 WeakPolarHBondContact CA-OE2 3.45Å; K473-E485 WeakPolarHBondContact CB-OE1 3.31Å; K473-E485 PolarHBondContact N-OE1 2.82Å; K473-E485 VanDerWaalsContact N-OE1 3.17Å; K473-E485 PolarHBondContact N-OE2 3.17Å; W483-E485 HydrophobicContact CB-CB 4.47Å; W483-E485 HydrophobicContact CB-CG 4.28Å; W483-E485 PolarHBondContact O-N 2.78Å; E485-F487 HydrophobicContact CB-CE2 3.66Å; E485-F487 HydrophobicContact CB-CZ 3.88Å; E485-F487 WeakPolarHBondContact O-CD2 3.05Å; E485-F487 WeakPolarHBondContact O-CE2 3.18Å
486	T	97.8	Very high	95.2	Very high	76 Å²	76	73.3 Å²	73.3	47%	0.466	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	136.4	179.4	-52.5	0	0	0	0	110.5	T436 K438 L488	T436-T486 HydrophobicContact CG2-CG2 3.7Å; K438-T486 HydrophobicContact CB-CG2 4.46Å; T486-L488 HydrophobicContact CG2-CD2 4.18Å
487	F	97.4	Very high	95.2	Very high	26 Å²	26	64.3 Å²	64.3	11%	0.114	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	134.6	-178.7	-59.1	-90.2	0	0	0	109.2	V437 I439 I460 L470 T472 E485	V437-F487 PolarHBondContact N-O 2.95Å; V437-F487 PolarHBondContact O-N 3.17Å; I439-F487 HydrophobicContact CB-CE2 4.46Å; I439-F487 HydrophobicContact CG1-CD2 4.23Å; I439-F487 HydrophobicContact CG1-CE2 3.96Å; I460-F487 HydrophobicContact CD1-CB 4.43Å; I460-F487 HydrophobicContact CD1-CD1 4.02Å; I460-F487 HydrophobicContact CD1-CD2 3.27Å; I460-F487 HydrophobicContact CD1-CE1 4.07Å; I460-F487 HydrophobicContact CD1-CE2 3.36Å; I460-F487 HydrophobicContact CD1-CG 3.63Å; I460-F487 HydrophobicContact CD1-CZ 3.77Å; L470-F487 HydrophobicContact CB-CD1 3.75Å; L470-F487 HydrophobicContact CB-CE1 4.11Å; L470-F487 HydrophobicContact CD1-CB 3.88Å; L470-F487 HydrophobicContact CD1-CD1 3.9Å; L470-F487 HydrophobicContact CD1-CG 4.28Å; L470-F487 HydrophobicContact CG-CD1 4.37Å; T472-F487 HydrophobicContact CG2-CE2 3.94Å; T472-F487 HydrophobicContact CG2-CZ 3.83Å; E485-F487 HydrophobicContact CB-CE2 3.66Å; E485-F487 HydrophobicContact CB-CZ 3.88Å; E485-F487 WeakPolarHBondContact O-CD2 3.05Å; E485-F487 WeakPolarHBondContact O-CE2 3.18Å
488	L	96.1	Very high	95.3	Very high	84 Å²	84	59.3 Å²	59.3	44%	0.44	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	135.9	-176.8	-54.9	-179.8	0	0	0	110	T434 T436 T486 E490	T434-L488 HydrophobicContact CG2-CB 4.01Å; T434-L488 HydrophobicContact CG2-CD2 4.15Å; T436-L488 HydrophobicContact CG2-CD2 3.99Å; T436-L488 WeakPolarHBondContact OG1-CD2 3.16Å; T486-L488 HydrophobicContact CG2-CD2 4.18Å; L488-E490 HydrophobicContact CB-CG 4.21Å
489	F	93.8	Very high	95.3	Very high	29 Å²	29	63.1 Å²	63.1	13%	0.127	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	81.8	168.7	-55.9	-93.8	0	0	0	107.7	T434 L435 V437 I460 L462 L470	T434-F489 WeakPolarHBondContact CA-O 3.37Å; L435-F489 HydrophobicContact CB-CB 4.24Å; L435-F489 HydrophobicContact CB-CD2 4.47Å; L435-F489 HydrophobicContact CD2-CD2 4.17Å; L435-F489 HydrophobicContact CG-CD2 4.46Å; L435-F489 PolarHBondContact N-O 3.16Å; L435-F489 VanDerWaalsContact N-O 3.11Å; L435-F489 PolarHBondContact O-N 3.18Å; V437-F489 HydrophobicContact CB-CE2 4.46Å; V437-F489 HydrophobicContact CG2-CD2 4.46Å; V437-F489 HydrophobicContact CG2-CE2 3.99Å; I460-F489 HydrophobicContact CG2-CZ 4.23Å; L462-F489 HydrophobicContact CD1-CB 4.23Å; L462-F489 HydrophobicContact CD1-CD1 3.51Å; L462-F489 HydrophobicContact CD1-CD2 3.93Å; L462-F489 HydrophobicContact CD1-CE1 3.7Å; L462-F489 HydrophobicContact CD1-CE2 4.11Å; L462-F489 HydrophobicContact CD1-CG 3.63Å; L462-F489 HydrophobicContact CD1-CZ 3.99Å; L462-F489 HydrophobicContact CG-CD1 4.25Å; L462-F489 HydrophobicContact CG-CE1 3.91Å; L462-F489 HydrophobicContact CG-CE2 4.26Å; L462-F489 HydrophobicContact CG-CZ 3.91Å; L470-F489 HydrophobicContact CD1-CE1 3.75Å; L470-F489 HydrophobicContact CD1-CE2 4.27Å; L470-F489 HydrophobicContact CD1-CZ 3.61Å; L470-F489 HydrophobicContact CG-CE1 4.46Å; L470-F489 HydrophobicContact CG-CZ 4.47Å
490	E	93.6	Very high	95.2	Very high	107 Å²	107	63.6 Å²	63.6	50%	0.5	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	149.4	-177.1	-64.6	163.2	-149.9	0	0	112.4	T434 L488 F492	T434-E490 HydrophobicContact CG2-CG 4.07Å; L488-E490 HydrophobicContact CB-CG 4.21Å; E490-F492 VanDerWaalsContact C-N 3.3Å; E490-F492 PolarHBondContact O-N 3.26Å
491	G	90.1	Very high	95.1	Very high	49 Å²	49	63.1 Å²	63.1	51%	0.505	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	33.5	175.3	0	0	0	0	0	114.1	S433 P493	S433-G491 PolarHBondContact O-N 3.07Å; G491-P493 WeakPolarHBondContact O-CD 2.98Å
492	F	92.5	Very high	95.1	Very high	48 Å²	48	63.2 Å²	63.2	21%	0.211	32%	0.318	C	S	.	.			trans	-115.7	95	-173.5	-155.4	-88.5	0	0	0	110.5	Y428 S433 E490 K496 V497 R500	Y428-F492 VanDerWaalsContact CE2-O 3.3Å; Y428-F492 WeakPolarHBondContact CE2-O 3.03Å; Y428-F492 PolarHBondContact OH-O 2.74Å; S433-F492 PolarHBondContact O-N 3.1Å; E490-F492 VanDerWaalsContact C-N 3.3Å; E490-F492 PolarHBondContact O-N 3.26Å; F492-K496 HydrophobicContact CD1-CB 4.41Å; F492-K496 HydrophobicContact CE1-CB 4.03Å; F492-K496 WeakPolarHBondContact CE1-O 3.47Å; F492-V497 HydrophobicContact CD1-CG2 3.71Å; F492-V497 HydrophobicContact CE1-CG2 4.4Å; F492-V497 WeakPolarHBondContact O-CG2 3.4Å; F492-R500 HydrophobicContact CE1-CG 4.2Å; F492-R500 HydrophobicContact CZ-CG 4.36Å
493	P	94.4	Very high	94.9	Very high	55 Å²	55	60.2 Å²	60.2	36%	0.357	30%	0.303	S	S	.	.			trans	-56.1	141.4	-169.7	-28.3	34.8	0	0	0	114.5	G491 E495 K496 V497	G491-P493 WeakPolarHBondContact O-CD 2.98Å; P493-E495 VanDerWaalsContact C-N 3.32Å; P493-E495 PolarHBondContact O-N 3.41Å; P493-K496 HydrophobicContact CG-CD 4.45Å; P493-K496 CarbonylContact O-C 3.52Å; P493-K496 WeakPolarHBondContact O-CA 3.27Å; P493-K496 WeakPolarHBondContact O-CB 3.37Å; P493-K496 PolarHBondContact O-N 3.46Å; P493-V497 PolarHBondContact O-N 3.21Å
494	Y	94.3	Very high	94.8	Very high	76 Å²	76	59.7 Å²	59.7	30%	0.298	30%	0.302	S	S	.	.	H	α-helix	trans	-50.6	-44.1	-174.1	-173.4	-106.8	0	0	0	114.5	Y428 F430 K496 V497 V498 L530	Y428-Y494 AromaticContact CD1-CD2 3.55Å; Y428-Y494 HydrophobicContact CD1-CD2 3.55Å; Y428-Y494 HydrophobicContact CD1-CE2 4.29Å; Y428-Y494 HydrophobicContact CD1-CG 4.41Å; Y428-Y494 AromaticContact CE1-CD2 3.78Å; Y428-Y494 HydrophobicContact CE1-CD2 3.78Å; Y428-Y494 HydrophobicContact CE1-CG 4.21Å; Y428-Y494 AromaticContact CG-CD2 3.97Å; Y428-Y494 HydrophobicContact CG-CD2 3.97Å; Y428-Y494 PolarHBondContact OH-N 2.73Å; Y428-Y494 VanDerWaalsContact OH-N 3.15Å; F430-Y494 HydrophobicContact CE1-CD1 4.14Å; F430-Y494 AromaticContact CE1-CD2 3.73Å; F430-Y494 HydrophobicContact CE1-CD2 3.73Å; F430-Y494 HydrophobicContact CE1-CE2 4.16Å; F430-Y494 AromaticContact CE1-CG 3.72Å; F430-Y494 HydrophobicContact CE1-CG 3.72Å; F430-Y494 AromaticContact CZ-CD2 3.78Å; F430-Y494 HydrophobicContact CZ-CD2 3.78Å; F430-Y494 AromaticContact CZ-CE2 3.76Å; F430-Y494 HydrophobicContact CZ-CE2 3.76Å; F430-Y494 HydrophobicContact CZ-CG 4.18Å; Y494-K496 PolarHBondContact O-N 3.26Å; Y494-V497 WeakPolarHBondContact O-CA 3.25Å; Y494-V497 VanDerWaalsContact O-CB 3.29Å; Y494-V497 WeakPolarHBondContact O-CB 3.47Å; Y494-V497 PolarHBondContact O-N 3.27Å; Y494-V498 HydrophobicContact CD1-CG1 4.45Å; Y494-V498 HydrophobicContact CE1-CG1 3.92Å; Y494-V498 HydrophobicContact CE2-CG1 4.11Å; Y494-V498 PolarHBondContact O-N 3.34Å; Y494-L530 HydrophobicContact CE2-CB 4.15Å; Y494-L530 HydrophobicContact CE2-CD1 4.23Å
495	E	94.1	Very high	94.7	Very high	142 Å²	142	57.1 Å²	57.1	66%	0.664	29%	0.287	S	S	*	.	H	α-helix	trans	-54	-37.1	174.6	-63.7	167.9	-160.5	0	0	112.9	P493 V498 Q499	P493-E495 VanDerWaalsContact C-N 3.32Å; P493-E495 PolarHBondContact O-N 3.41Å; E495-V498 WeakPolarHBondContact O-CG2 3.5Å; E495-Q499 VanDerWaalsContact O-CD 3.31Å; E495-Q499 VanDerWaalsContact O-CG 3.27Å; E495-Q499 WeakPolarHBondContact O-CG 3.32Å; E495-Q499 PolarHBondContact O-NE2 2.93Å
496	K	93.4	Very high	94.6	Very high	111 Å²	111	55.5 Å²	55.5	48%	0.483	28%	0.279	S	S	.	.	H	α-helix	trans	-83.3	-24	178.2	-62.8	176.2	-176.7	169.6	0	111.9	F492 P493 Y494 R500	F492-K496 HydrophobicContact CD1-CB 4.41Å; F492-K496 HydrophobicContact CE1-CB 4.03Å; F492-K496 WeakPolarHBondContact CE1-O 3.47Å; P493-K496 HydrophobicContact CG-CD 4.45Å; P493-K496 CarbonylContact O-C 3.52Å; P493-K496 WeakPolarHBondContact O-CA 3.27Å; P493-K496 WeakPolarHBondContact O-CB 3.37Å; P493-K496 PolarHBondContact O-N 3.46Å; Y494-K496 PolarHBondContact O-N 3.26Å; K496-R500 WeakPolarHBondContact O-CG 3.23Å
497	V	94.1	Very high	94.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.4	-55	171.5	178.6	0	0	0	0	110.4	Y428 L435 F492 P493 Y494 Q499 R500 L525 L530	Y428-V497 HydrophobicContact CD2-CG2 3.79Å; Y428-V497 HydrophobicContact CE2-CG2 3.63Å; L435-V497 HydrophobicContact CD1-CG1 3.91Å; L435-V497 HydrophobicContact CD2-CG1 4.19Å; L435-V497 HydrophobicContact CG-CG1 4.48Å; F492-V497 HydrophobicContact CD1-CG2 3.71Å; F492-V497 HydrophobicContact CE1-CG2 4.4Å; F492-V497 WeakPolarHBondContact O-CG2 3.4Å; P493-V497 PolarHBondContact O-N 3.21Å; Y494-V497 WeakPolarHBondContact O-CA 3.25Å; Y494-V497 VanDerWaalsContact O-CB 3.29Å; Y494-V497 WeakPolarHBondContact O-CB 3.47Å; Y494-V497 PolarHBondContact O-N 3.27Å; V497-Q499 PolarHBondContact O-N 2.99Å; V497-Q499 VanDerWaalsContact O-N 3.15Å; V497-R500 WeakPolarHBondContact O-CB 3.21Å; V497-R500 PolarHBondContact O-N 3.12Å; V497-L525 HydrophobicContact CG1-CB 4.46Å; V497-L525 HydrophobicContact CG1-CD1 3.7Å; V497-L530 HydrophobicContact CG1-CD1 3.54Å
498	V	94.5	Very high	94	Very high	34 Å²	34	51.4 Å²	51.4	21%	0.206	26%	0.256	C	S	.	.	H	α-helix	trans	-64.2	-23.9	-173.5	-63.3	0	0	0	0	112.9	Y494 E495 R500 N526	Y494-V498 HydrophobicContact CD1-CG1 4.45Å; Y494-V498 HydrophobicContact CE1-CG1 3.92Å; Y494-V498 HydrophobicContact CE2-CG1 4.11Å; Y494-V498 PolarHBondContact O-N 3.34Å; E495-V498 WeakPolarHBondContact O-CG2 3.5Å; V498-R500 PolarHBondContact O-N 3Å; V498-N526 HydrophobicContact CB-CB 4.13Å; V498-N526 VanDerWaalsContact O-CB 3.32Å; V498-N526 WeakPolarHBondContact O-CB 3.16Å; V498-N526 PolarHBondContact O-N 3.36Å; V498-N526 VanDerWaalsContact O-N 3.15Å
499	Q	93.5	Very high	93.7	Very high	141 Å²	141	51.5 Å²	51.5	66%	0.659	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-6.5	172.2	-68.1	170.3	17.2	0	0	114.2	E495 V497	E495-Q499 VanDerWaalsContact O-CD 3.31Å; E495-Q499 VanDerWaalsContact O-CG 3.27Å; E495-Q499 WeakPolarHBondContact O-CG 3.32Å; E495-Q499 PolarHBondContact O-NE2 2.93Å; V497-Q499 PolarHBondContact O-N 2.99Å; V497-Q499 VanDerWaalsContact O-N 3.15Å
500	R	93.6	Very high	93	Very high	54 Å²	54	52.5 Å²	52.5	20%	0.204	26%	0.258	C	S	.	.			trans	-97.7	158.3	-178.7	-57.4	-56.5	177.2	120.5	-7.8	113.3	L462 L463 F492 K496 V497 V498 L525	L462-R500 HydrophobicContact CB-CB 4.35Å; L462-R500 HydrophobicContact CB-CG 4.28Å; L462-R500 PolarHBondContact O-NH1 3.03Å; L463-R500 WeakPolarHBondContact O-CA 3.22Å; L463-R500 WeakPolarHBondContact O-CD 3.39Å; F492-R500 HydrophobicContact CE1-CG 4.2Å; F492-R500 HydrophobicContact CZ-CG 4.36Å; K496-R500 WeakPolarHBondContact O-CG 3.23Å; V497-R500 WeakPolarHBondContact O-CB 3.21Å; V497-R500 PolarHBondContact O-N 3.12Å; V498-R500 PolarHBondContact O-N 3Å; R500-L525 HydrophobicContact CB-CD1 4.25Å; R500-L525 WeakPolarHBondContact O-CB 3.44Å; R500-L525 PolarHBondContact O-N 2.85Å
501	I	94.9	Very high	92.2	Very high	64 Å²	64	55.9 Å²	55.9	33%	0.328	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	118.6	164.7	-57.2	172.3	0	0	0	106.9	L463 Y503 I523 P524	L463-I501 HydrophobicContact CB-CB 4.23Å; L463-I501 PolarHBondContact N-O 3.2Å; L463-I501 PolarHBondContact O-N 2.9Å; L463-I501 VanDerWaalsContact O-N 3.09Å; I501-Y503 PolarHBondContact O-N 3.4Å; I501-I523 WeakPolarHBondContact CA-O 3.15Å; I501-P524 HydrophobicContact CG1-CB 4.26Å; I501-P524 HydrophobicContact CG1-CG 4.27Å
502	L	96.3	Very high	91.2	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	116.6	167.6	175.5	61.2	0	0	0	107.6	F424 V426 V437 I460 L462 L504 S522 I523 L525	F424-L502 HydrophobicContact CD2-CD2 4.27Å; F424-L502 HydrophobicContact CE2-CD2 3.88Å; V426-L502 HydrophobicContact CB-CD2 4.35Å; V426-L502 HydrophobicContact CG2-CD2 4.33Å; V437-L502 HydrophobicContact CG1-CD1 4.28Å; V437-L502 HydrophobicContact CG1-CD2 4.09Å; V437-L502 HydrophobicContact CG2-CD1 4.1Å; V437-L502 HydrophobicContact CG2-CD2 4.09Å; I460-L502 HydrophobicContact CG2-CD1 3.96Å; L462-L502 HydrophobicContact CD2-CB 4.43Å; L462-L502 HydrophobicContact CD2-CD1 4.03Å; L502-L504 HydrophobicContact CD1-CD2 3.96Å; L502-L504 HydrophobicContact CG-CD2 4.25Å; L502-L504 HydrophobicContact CG-CG 4.45Å; L502-S522 WeakPolarHBondContact O-CA 3.48Å; L502-I523 PolarHBondContact N-O 2.85Å; L502-I523 PolarHBondContact O-N 2.85Å; L502-L525 HydrophobicContact CB-CD2 3.84Å; L502-L525 HydrophobicContact CB-CG 4.3Å
503	Y	95.3	Very high	90	Very high	34 Å²	34	59 Å²	59	13%	0.133	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	122.8	179.8	174	-95.9	0	0	0	109.2	Y461 L463 I501 Q505 E520	Y461-Y503 AromaticContact CD2-CD1 3.69Å; Y461-Y503 HydrophobicContact CD2-CD1 3.69Å; Y461-Y503 HydrophobicContact CD2-CE1 4.17Å; Y461-Y503 HydrophobicContact CE2-CD1 4.38Å; Y461-Y503 HydrophobicContact CE2-CE1 4.42Å; Y461-Y503 HydrophobicContact CG-CD1 4.25Å; Y461-Y503 PolarHBondContact N-O 3.15Å; Y461-Y503 PolarHBondContact O-N 3.26Å; L463-Y503 HydrophobicContact CD1-CD2 4.09Å; L463-Y503 HydrophobicContact CD1-CG 3.85Å; L463-Y503 HydrophobicContact CG-CG 4.36Å; I501-Y503 PolarHBondContact O-N 3.4Å; Y503-Q505 HydrophobicContact CE1-CB 3.85Å; Y503-E520 HydrophobicContact CE2-CB 3.82Å; Y503-E520 VanDerWaalsContact CE2-CD 3.5Å; Y503-E520 HydrophobicContact CE2-CG 4.06Å; Y503-E520 PolarHBondContact OH-OE2 3.22Å
504	L	96.5	Very high	88.6	Confident	1 Å²	1	60 Å²	60	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125.6	177.8	-51.8	179	0	0	0	108.3	I422 F424 I439 V458 K459 I460 L502 E520 V521	I422-L504 HydrophobicContact CD1-CD1 4.3Å; F424-L504 HydrophobicContact CB-CD1 4.28Å; F424-L504 HydrophobicContact CD1-CD1 3.46Å; F424-L504 VanDerWaalsContact CD1-CD1 3.46Å; F424-L504 HydrophobicContact CD2-CD1 4Å; F424-L504 HydrophobicContact CE1-CD1 3.62Å; F424-L504 HydrophobicContact CE2-CD1 4.13Å; F424-L504 HydrophobicContact CG-CD1 3.65Å; F424-L504 HydrophobicContact CZ-CD1 3.94Å; I439-L504 HydrophobicContact CD1-CD1 3.89Å; I439-L504 HydrophobicContact CD1-CD2 3.8Å; V458-L504 HydrophobicContact CG1-CB 4.09Å; K459-L504 WeakPolarHBondContact O-CA 3.14Å; I460-L504 HydrophobicContact CB-CD2 4.2Å; I460-L504 HydrophobicContact CG1-CD2 3.96Å; I460-L504 HydrophobicContact CG2-CD2 3.85Å; L502-L504 HydrophobicContact CD1-CD2 3.96Å; L502-L504 HydrophobicContact CG-CD2 4.25Å; L502-L504 HydrophobicContact CG-CG 4.45Å; L504-E520 CarbonylContact O-C 3.54Å; L504-E520 VanDerWaalsContact O-CA 3.32Å; L504-E520 WeakPolarHBondContact O-CA 3.34Å; L504-V521 HydrophobicContact CB-CG2 3.78Å; L504-V521 HydrophobicContact CD1-CG2 3.99Å; L504-V521 HydrophobicContact CG-CG2 4.18Å; L504-V521 PolarHBondContact N-O 2.65Å; L504-V521 PolarHBondContact O-N 2.86Å
505	Q	94.6	Very high	87.9	Confident	33 Å²	33	58.6 Å²	58.6	15%	0.154	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121	174.7	-170.9	179.7	49.9	0	0	109	V458 K459 Y503 L507 C543	V458-Q505 CarbonylContact C-O 3.57Å; V458-Q505 WeakPolarHBondContact CA-O 3.2Å; K459-Q505 HydrophobicContact CB-CB 4.46Å; K459-Q505 PolarHBondContact N-O 3.46Å; K459-Q505 PolarHBondContact O-N 3.1Å; Y503-Q505 HydrophobicContact CE1-CB 3.85Å; Q505-L507 HydrophobicContact CB-CD1 4.19Å; Q505-L507 HydrophobicContact CG-CD1 3.75Å; Q505-L507 HydrophobicContact CG-CG 4.1Å; Q505-C543 PolarHBondContact NE2-SG 3.4Å
506	V	95.9	Very high	87.1	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	128.8	172.6	-173	0	0	0	0	108	I422 L445 P456 V458 I518 G519 L540	I422-V506 HydrophobicContact CD1-CG2 3.95Å; L445-V506 HydrophobicContact CD1-CG1 4.19Å; L445-V506 HydrophobicContact CD2-CG1 4.45Å; P456-V506 HydrophobicContact CB-CG1 4.38Å; V458-V506 HydrophobicContact CG1-CG2 4.41Å; V458-V506 HydrophobicContact CG2-CG2 4.18Å; V506-I518 HydrophobicContact CB-CB 4.4Å; V506-I518 HydrophobicContact CG1-CB 4.2Å; V506-I518 HydrophobicContact CG1-CD1 4.24Å; V506-I518 HydrophobicContact CG1-CG2 4.4Å; V506-I518 PolarHBondContact O-N 2.94Å; V506-G519 PolarHBondContact N-O 3.35Å; V506-G519 PolarHBondContact O-N 3.08Å; V506-L540 HydrophobicContact CB-CD1 4.39Å; V506-L540 HydrophobicContact CB-CD2 4.19Å; V506-L540 HydrophobicContact CG2-CD1 4.05Å; V506-L540 HydrophobicContact CG2-CD2 3.54Å; V506-L540 HydrophobicContact CG2-CG 4.47Å
507	L	91.9	Very high	86.7	Confident	7 Å²	7	53.4 Å²	53.4	4%	0.037	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	153.8	175.1	-51.2	92.6	0	0	0	109.6	P456 F457 K459 Q505 N515 D516	P456-L507 VanDerWaalsContact CA-O 3.32Å; P456-L507 WeakPolarHBondContact CA-O 3.42Å; F457-L507 HydrophobicContact CD1-CB 4.41Å; F457-L507 VanDerWaalsContact CD1-O 3.31Å; F457-L507 WeakPolarHBondContact CD1-O 3.35Å; F457-L507 HydrophobicContact CE1-CB 3.72Å; F457-L507 HydrophobicContact CE1-CD1 4.44Å; F457-L507 HydrophobicContact CE2-CD1 4.5Å; F457-L507 HydrophobicContact CZ-CB 4.13Å; F457-L507 HydrophobicContact CZ-CD1 4.08Å; F457-L507 PolarHBondContact N-O 3.1Å; F457-L507 PolarHBondContact O-N 3.34Å; K459-L507 HydrophobicContact CB-CD1 4.47Å; K459-L507 HydrophobicContact CD-CD1 3.65Å; K459-L507 HydrophobicContact CG-CD1 3.68Å; K459-L507 VanDerWaalsContact NZ-CD2 3.28Å; Q505-L507 HydrophobicContact CB-CD1 4.19Å; Q505-L507 HydrophobicContact CG-CD1 3.75Å; Q505-L507 HydrophobicContact CG-CG 4.1Å; L507-N515 HydrophobicContact CB-CB 4.45Å; L507-N515 HydrophobicContact CD2-CB 4.31Å; L507-D516 CarbonylContact C-O 3.33Å; L507-D516 VanDerWaalsContact CA-O 3.26Å; L507-D516 WeakPolarHBondContact CA-O 3.29Å; L507-D516 WeakPolarHBondContact CB-O 3.41Å
508	D	90.8	Very high	86.5	Confident	9 Å²	9	53.5 Å²	53.5	5%	0.048	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	148.3	160.8	-154.9	-19.3	0	0	0	110.1	K448 S454 D455 N515 D516 I518	K448-D508 HydrophobicContact CB-CB 4.27Å; K448-D508 WeakPolarHBondContact CB-OD2 3.45Å; K448-D508 HydrophobicContact CG-CB 4.45Å; S454-D508 VanDerWaalsContact CA-OD2 3.24Å; S454-D508 WeakPolarHBondContact CA-OD2 3.41Å; S454-D508 WeakPolarHBondContact CB-OD2 3.37Å; S454-D508 PolarHBondContact OG-OD2 2.94Å; D455-D508 VanDerWaalsContact CA-OD1 3.29Å; D455-D508 WeakPolarHBondContact CA-OD1 3.43Å; D455-D508 WeakPolarHBondContact CB-OD1 3.29Å; D455-D508 PolarHBondContact N-OD1 3.07Å; D508-N515 CarbonylContact O-C 3.59Å; D508-N515 WeakPolarHBondContact O-CA 3.47Å; D508-N515 WeakPolarHBondContact O-CB 3.4Å; D508-D516 HydrophobicContact CB-CB 4.24Å; D508-D516 PolarHBondContact N-O 2.84Å; D508-D516 PolarHBondContact O-N 2.96Å; D508-I518 HydrophobicContact CB-CD1 4.21Å
509	Y	88.6	Confident	86.3	Confident	85 Å²	85	51.9 Å²	51.9	33%	0.333	24%	0.239	S	C	.	.			trans	-98.2	115.2	173.2	172.8	-91.7	0	0	0	110.2	D455 V474 R511 N515	D455-Y509 WeakPolarHBondContact O-CB 3.5Å; D455-Y509 PolarHBondContact O-N 3.35Å; V474-Y509 HydrophobicContact CB-CG 4.47Å; V474-Y509 HydrophobicContact CG1-CD1 4.11Å; V474-Y509 HydrophobicContact CG1-CG 4.02Å; V474-Y509 HydrophobicContact CG2-CD1 4.28Å; V474-Y509 HydrophobicContact CG2-CD2 3.79Å; V474-Y509 HydrophobicContact CG2-CG 3.61Å; Y509-R511 HydrophobicContact CE1-CB 4.23Å; Y509-N515 WeakPolarHBondContact CD2-ND2 3.24Å
510	D	79.6	Confident	86.3	Confident	51 Å²	51	46.6 Å²	46.6	27%	0.273	22%	0.215	S	C	.	.			trans	-106.1	136.2	173.8	-162.6	-35.2	0	0	0	110.1	F512 S513	D510-F512 PolarHBondContact OD1-N 3.15Å; D510-S513 VanDerWaalsContact CG-CB 3.5Å; D510-S513 VanDerWaalsContact CG-OG 3.25Å; D510-S513 PolarHBondContact OD1-N 2.92Å; D510-S513 PolarHBondContact OD1-OG 2.89Å; D510-S513 WeakPolarHBondContact OD2-CB 3.37Å; D510-S513 PolarHBondContact OD2-OG 2.84Å
511	R	77.8	Confident	86.4	Confident	178 Å²	178	44.3 Å²	44.3	67%	0.672	21%	0.207	S	C	*	.	S	Bend	trans	-83.5	-27.6	-179	-175.4	175.1	-179.9	-175.5	1.8	112.9	Y509	Y509-R511 HydrophobicContact CE1-CB 4.23Å
512	F	68.9	Low	86.4	Confident	133 Å²	133	44.1 Å²	44.1	58%	0.583	21%	0.211	S	C	*	.	S	Bend	trans	-125.7	-16	-170.5	-57.4	-65.9	0	0	0	113.6	D510 S645	D510-F512 PolarHBondContact OD1-N 3.15Å; F512-S645 WeakPolarHBondContact O-CB 3.13Å; F512-S645 PolarHBondContact O-OG 2.79Å
513	S	66.1	Low	86.3	Confident	29 Å²	29	45 Å²	45	20%	0.203	22%	0.215	C	C	.	.	S	Bend	trans	-111.5	-160.4	171.5	-20.1	0	0	0	0	110	D510	D510-S513 VanDerWaalsContact CG-CB 3.5Å; D510-S513 VanDerWaalsContact CG-OG 3.25Å; D510-S513 PolarHBondContact OD1-N 2.92Å; D510-S513 PolarHBondContact OD1-OG 2.89Å; D510-S513 WeakPolarHBondContact OD2-CB 3.37Å; D510-S513 PolarHBondContact OD2-OG 2.84Å
514	R	65.6	Low	86.3	Confident	77 Å²	77	45.6 Å²	45.6	29%	0.291	22%	0.223	S	C	.	.			trans	-89.2	143.9	167.5	-79.1	-169.8	160.1	-178	8.9	112.6	D516 A578 M579 D580	R514-D516 PolarHBondContact O-N 2.99Å; R514-D516 VanDerWaalsContact O-N 3.13Å; R514-A578 PolarHBondContact NH1-O 3.35Å; R514-A578 VanDerWaalsContact NH2-C 3.3Å; R514-A578 PolarHBondContact NH2-O 3.43Å; R514-M579 WeakPolarHBondContact CD-O 3.49Å; R514-M579 WeakPolarHBondContact CG-O 3.27Å; R514-M579 VanDerWaalsContact CZ-CA 3.41Å; R514-M579 PolarHBondContact NE-O 2.82Å; R514-D580 PolarHBondContact NH2-O 2.9Å
515	N	79.1	Confident	86.2	Confident	45 Å²	45	45.5 Å²	45.5	24%	0.241	22%	0.223	C	C	.	.			trans	-54	111	169.7	-61.6	42.5	0	0	0	111.1	F457 L507 D508 Y509	F457-N515 HydrophobicContact CE1-CB 4.08Å; F457-N515 WeakPolarHBondContact CE1-ND2 3.08Å; F457-N515 HydrophobicContact CZ-CB 4.24Å; F457-N515 WeakPolarHBondContact CZ-ND2 3.43Å; L507-N515 HydrophobicContact CB-CB 4.45Å; L507-N515 HydrophobicContact CD2-CB 4.31Å; D508-N515 CarbonylContact O-C 3.59Å; D508-N515 WeakPolarHBondContact O-CA 3.47Å; D508-N515 WeakPolarHBondContact O-CB 3.4Å; Y509-N515 WeakPolarHBondContact CD2-ND2 3.24Å
516	D	77.9	Confident	86.2	Confident	85 Å²	85	49.1 Å²	49.1	46%	0.455	24%	0.243	S	C	.	.			trans	-80.1	127.5	-168.4	-129.4	3.2	0	0	0	111.1	K448 L507 D508 R514 I518	K448-D516 HydrophobicContact CB-CB 4.49Å; L507-D516 CarbonylContact C-O 3.33Å; L507-D516 VanDerWaalsContact CA-O 3.26Å; L507-D516 WeakPolarHBondContact CA-O 3.29Å; L507-D516 WeakPolarHBondContact CB-O 3.41Å; D508-D516 HydrophobicContact CB-CB 4.24Å; D508-D516 PolarHBondContact N-O 2.84Å; D508-D516 PolarHBondContact O-N 2.96Å; R514-D516 PolarHBondContact O-N 2.99Å; R514-D516 VanDerWaalsContact O-N 3.13Å; D516-I518 PolarHBondContact O-N 3.21Å
517	P	84.8	Confident	86	Confident	59 Å²	59	57.5 Å²	57.5	38%	0.383	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	123.7	-178.7	26.4	-32.4	0	0	0	111.3	C543	P517-C543 HydrophobicContact CB-CB 4.08Å
518	I	90.5	Very high	86.1	Confident	3 Å²	3	57.7 Å²	57.7	2%	0.015	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-52.9	174.3	-68.3	171.5	0	0	0	109.6	L445 P446 K448 P456 V506 D508 D516	L445-I518 HydrophobicContact CD2-CG2 4.18Å; P446-I518 HydrophobicContact CG-CG2 3.86Å; K448-I518 HydrophobicContact CG-CG1 3.95Å; P456-I518 HydrophobicContact CB-CD1 4.22Å; V506-I518 HydrophobicContact CB-CB 4.4Å; V506-I518 HydrophobicContact CG1-CB 4.2Å; V506-I518 HydrophobicContact CG1-CD1 4.24Å; V506-I518 HydrophobicContact CG1-CG2 4.4Å; V506-I518 PolarHBondContact O-N 2.94Å; D508-I518 HydrophobicContact CB-CD1 4.21Å; D516-I518 PolarHBondContact O-N 3.21Å
519	G	91	Very high	86.2	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.2	170.8	-178.1	0	0	0	0	0	113.5	V506 K541	V506-G519 PolarHBondContact N-O 3.35Å; V506-G519 PolarHBondContact O-N 3.08Å; G519-K541 CarbonylContact C-O 3.56Å; G519-K541 WeakPolarHBondContact CA-O 3Å
520	E	93.4	Very high	86.5	Confident	30 Å²	30	56.9 Å²	56.9	14%	0.14	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	154	-179	72.7	-175.8	-138.2	0	0	113	Y503 L504 K541 C543 S544	Y503-E520 HydrophobicContact CE2-CB 3.82Å; Y503-E520 VanDerWaalsContact CE2-CD 3.5Å; Y503-E520 HydrophobicContact CE2-CG 4.06Å; Y503-E520 PolarHBondContact OH-OE2 3.22Å; L504-E520 CarbonylContact O-C 3.54Å; L504-E520 VanDerWaalsContact O-CA 3.32Å; L504-E520 WeakPolarHBondContact O-CA 3.34Å; E520-K541 PolarHBondContact N-O 2.85Å; E520-K541 PolarHBondContact O-N 3.41Å; E520-C543 VanDerWaalsContact OE2-CA 3.31Å; E520-C543 WeakPolarHBondContact OE2-CA 3.27Å; E520-S544 PolarHBondContact OE2-N 2.92Å
521	V	95.3	Very high	87.1	Confident	6 Å²	6	58.1 Å²	58.1	4%	0.036	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	145.5	166.4	-63.3	0	0	0	0	110.4	I422 F424 L504 K538 D539 L540	I422-V521 HydrophobicContact CG2-CG1 4.12Å; I422-V521 HydrophobicContact CG2-CG2 3.73Å; F424-V521 HydrophobicContact CE1-CG2 4.14Å; L504-V521 HydrophobicContact CB-CG2 3.78Å; L504-V521 HydrophobicContact CD1-CG2 3.99Å; L504-V521 HydrophobicContact CG-CG2 4.18Å; L504-V521 PolarHBondContact N-O 2.65Å; L504-V521 PolarHBondContact O-N 2.86Å; V521-K538 HydrophobicContact CB-CB 4.18Å; V521-K538 HydrophobicContact CG1-CB 3.71Å; V521-K538 HydrophobicContact CG2-CB 4.5Å; V521-D539 VanDerWaalsContact CG1-O 3.31Å; V521-D539 WeakPolarHBondContact CG1-O 3.38Å; V521-L540 HydrophobicContact CG1-CD2 4.16Å
522	S	94.2	Very high	87.7	Confident	60 Å²	60	56.1 Å²	56.1	42%	0.42	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	132.4	179.3	50.9	0	0	0	0	110.9	L502	L502-S522 WeakPolarHBondContact O-CA 3.48Å
523	I	94.9	Very high	88.8	Confident	19 Å²	19	54.5 Å²	54.5	10%	0.097	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	115.8	174.7	-60.1	-168.4	0	0	0	109.5	F424 I501 L502 L525 V528 F536 K538	F424-I523 HydrophobicContact CE2-CD1 4.18Å; F424-I523 HydrophobicContact CZ-CD1 3.6Å; F424-I523 HydrophobicContact CZ-CG1 4.28Å; I501-I523 WeakPolarHBondContact CA-O 3.15Å; L502-I523 PolarHBondContact N-O 2.85Å; L502-I523 PolarHBondContact O-N 2.85Å; I523-L525 PolarHBondContact O-N 2.83Å; I523-V528 HydrophobicContact CG2-CG2 3.46Å; I523-V528 VanDerWaalsContact CG2-CG2 3.46Å; I523-F536 HydrophobicContact CD1-CG 4.4Å; I523-K538 HydrophobicContact CD1-CD 4.37Å; I523-K538 HydrophobicContact CD1-CG 4.11Å
524	P	95.1	Very high	90.2	Very high	47 Å²	47	56.4 Å²	56.4	31%	0.305	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	123.5	166.2	-21.9	34.5	0	0	0	110.7	I501 N526 K527	I501-P524 HydrophobicContact CG1-CB 4.26Å; I501-P524 HydrophobicContact CG1-CG 4.27Å; P524-N526 VanDerWaalsContact C-N 3.28Å; P524-N526 WeakPolarHBondContact CB-OD1 3.33Å; P524-N526 PolarHBondContact O-N 3.12Å; P524-K527 PolarHBondContact O-N 2.61Å
525	L	95.1	Very high	91.7	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-72.6	-21.3	-172.4	-67.9	-172.3	0	0	0	113.1	V426 L435 L462 V497 R500 L502 I523 K527 V528 L530	V426-L525 HydrophobicContact CG2-CD2 4.48Å; L435-L525 HydrophobicContact CD2-CD1 3.81Å; L462-L525 HydrophobicContact CD2-CD1 4.23Å; V497-L525 HydrophobicContact CG1-CB 4.46Å; V497-L525 HydrophobicContact CG1-CD1 3.7Å; R500-L525 HydrophobicContact CB-CD1 4.25Å; R500-L525 WeakPolarHBondContact O-CB 3.44Å; R500-L525 PolarHBondContact O-N 2.85Å; L502-L525 HydrophobicContact CB-CD2 3.84Å; L502-L525 HydrophobicContact CB-CG 4.3Å; I523-L525 PolarHBondContact O-N 2.83Å; L525-K527 PolarHBondContact O-N 2.76Å; L525-V528 PolarHBondContact O-N 3.1Å; L525-L530 HydrophobicContact CB-CD1 4.25Å
526	N	93.6	Very high	92.6	Very high	108 Å²	108	55.7 Å²	55.7	58%	0.578	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-66.1	-7.9	167.2	62.5	-5.7	0	0	0	115	V498 P524	V498-N526 HydrophobicContact CB-CB 4.13Å; V498-N526 VanDerWaalsContact O-CB 3.32Å; V498-N526 WeakPolarHBondContact O-CB 3.16Å; V498-N526 PolarHBondContact O-N 3.36Å; V498-N526 VanDerWaalsContact O-N 3.15Å; P524-N526 VanDerWaalsContact C-N 3.28Å; P524-N526 WeakPolarHBondContact CB-OD1 3.33Å; P524-N526 PolarHBondContact O-N 3.12Å
527	K	92.6	Very high	93.5	Very high	176 Å²	176	56 Å²	56	77%	0.765	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-106.4	11.5	174.6	-64.3	-168.5	175.9	-169.2	0	113.3	P524 L525	P524-K527 PolarHBondContact O-N 2.61Å; L525-K527 PolarHBondContact O-N 2.76Å
528	V	93.6	Very high	94.1	Very high	12 Å²	12	57.3 Å²	57.3	7%	0.073	29%	0.289	C	S	.	.	S	Bend	trans	-119.3	129.8	177.5	179.7	0	0	0	0	108.1	V426 I523 L525 L530 F536	V426-V528 HydrophobicContact CG1-CG1 4.32Å; I523-V528 HydrophobicContact CG2-CG2 3.46Å; I523-V528 VanDerWaalsContact CG2-CG2 3.46Å; L525-V528 PolarHBondContact O-N 3.1Å; V528-L530 HydrophobicContact CB-CD2 4.2Å; V528-L530 HydrophobicContact CB-CG 4.25Å; V528-L530 HydrophobicContact CG1-CD2 3.74Å; V528-L530 HydrophobicContact CG1-CG 4.09Å; V528-L530 PolarHBondContact O-N 2.86Å; V528-L530 VanDerWaalsContact O-N 3.1Å; V528-F536 HydrophobicContact CG1-CE2 4.02Å; V528-F536 HydrophobicContact CG1-CZ 3.93Å; V528-F536 HydrophobicContact CG2-CZ 4.37Å
529	D	93.2	Very high	94.3	Very high	77 Å²	77	62.6 Å²	62.6	41%	0.412	32%	0.318	S	S	.	.			trans	-72	102.6	161.9	172.4	17.3	0	0	0	108.2	T531 Q534	D529-T531 VanDerWaalsContact C-N 3.34Å; D529-T531 VanDerWaalsContact CG-OG1 3.32Å; D529-T531 VanDerWaalsContact OD1-CB 3.29Å; D529-T531 WeakPolarHBondContact OD1-CB 2.91Å; D529-T531 VanDerWaalsContact OD1-CG2 3.28Å; D529-T531 WeakPolarHBondContact OD1-CG2 3.44Å; D529-T531 PolarHBondContact OD1-N 2.81Å; D529-T531 PolarHBondContact OD1-OG1 2.85Å; D529-T531 PolarHBondContact OD2-OG1 2.89Å; D529-Q534 PolarHBondContact O-NE2 2.95Å
530	L	93.6	Very high	94.5	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-2.4	-178.4	-69	171.1	0	0	0	113.2	V426 Y428 L435 Y494 V497 L525 V528 Q532	V426-L530 HydrophobicContact CG1-CD2 4.35Å; V426-L530 HydrophobicContact CG2-CD2 3.79Å; Y428-L530 PolarHBondContact N-O 3.05Å; L435-L530 HydrophobicContact CD1-CD1 4.48Å; L435-L530 HydrophobicContact CD1-CD2 4.14Å; Y494-L530 HydrophobicContact CE2-CB 4.15Å; Y494-L530 HydrophobicContact CE2-CD1 4.23Å; V497-L530 HydrophobicContact CG1-CD1 3.54Å; L525-L530 HydrophobicContact CB-CD1 4.25Å; V528-L530 HydrophobicContact CB-CD2 4.2Å; V528-L530 HydrophobicContact CB-CG 4.25Å; V528-L530 HydrophobicContact CG1-CD2 3.74Å; V528-L530 HydrophobicContact CG1-CG 4.09Å; V528-L530 PolarHBondContact O-N 2.86Å; V528-L530 VanDerWaalsContact O-N 3.1Å; L530-Q532 PolarHBondContact O-N 3.08Å
531	T	91.8	Very high	94.4	Very high	77 Å²	77	67.9 Å²	67.9	47%	0.472	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-23.6	178.7	66.4	0	0	0	0	112.2	F430 D529	F430-T531 HydrophobicContact CE2-CG2 4.03Å; F430-T531 HydrophobicContact CZ-CG2 4.29Å; D529-T531 VanDerWaalsContact C-N 3.34Å; D529-T531 VanDerWaalsContact CG-OG1 3.32Å; D529-T531 VanDerWaalsContact OD1-CB 3.29Å; D529-T531 WeakPolarHBondContact OD1-CB 2.91Å; D529-T531 VanDerWaalsContact OD1-CG2 3.28Å; D529-T531 WeakPolarHBondContact OD1-CG2 3.44Å; D529-T531 PolarHBondContact OD1-N 2.81Å; D529-T531 PolarHBondContact OD1-OG1 2.85Å; D529-T531 PolarHBondContact OD2-OG1 2.89Å
532	Q	90.4	Very high	93.8	Very high	136 Å²	136	71.6 Å²	71.6	64%	0.636	37%	0.365	S	S	*	.	S	Bend	trans	-121	154.4	174.8	-55.6	-173.8	21.7	0	0	110.5	L530 Q534	L530-Q532 PolarHBondContact O-N 3.08Å; Q532-Q534 VanDerWaalsContact C-N 3.35Å; Q532-Q534 PolarHBondContact O-N 2.95Å
533	M	93.5	Very high	92.6	Very high	98 Å²	98	69.7 Å²	69.7	48%	0.483	35%	0.351	S	S	.	.			trans	-80.4	80	179.7	-170.4	169.2	-176.3	0	0	111.2	S425 T436 K438	S425-M533 WeakPolarHBondContact OG-CE 3.44Å; T436-M533 HydrophobicContact CG2-CE 3.78Å; T436-M533 HydrophobicContact CG2-SD 4.45Å; K438-M533 HydrophobicContact CB-CE 3.85Å; K438-M533 HydrophobicContact CD-CE 4.33Å
534	Q	94.9	Very high	91	Very high	69 Å²	69	71.5 Å²	71.5	32%	0.322	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	142.5	-177.7	-67.4	-160.7	59.6	0	0	112.7	S425 V426 D529 Q532 F536	S425-Q534 CarbonylContact C-O 3.58Å; S425-Q534 WeakPolarHBondContact CA-O 3.32Å; S425-Q534 WeakPolarHBondContact CB-O 3.48Å; V426-Q534 PolarHBondContact N-O 3.39Å; V426-Q534 PolarHBondContact O-N 2.61Å; D529-Q534 PolarHBondContact O-NE2 2.95Å; Q532-Q534 VanDerWaalsContact C-N 3.35Å; Q532-Q534 PolarHBondContact O-N 2.95Å; Q534-F536 HydrophobicContact CB-CE2 3.62Å; Q534-F536 HydrophobicContact CB-CZ 3.6Å; Q534-F536 HydrophobicContact CG-CZ 4.42Å
535	T	97.3	Very high	88.5	Confident	73 Å²	73	73.7 Å²	73.7	45%	0.448	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	128.4	177.1	-56.4	0	0	0	0	110.5	Q423 S425 M440	Q423-T535 HydrophobicContact CG-CG2 3.98Å; S425-T535 WeakPolarHBondContact CB-OG1 2.96Å; M440-T535 HydrophobicContact SD-CG2 3.79Å
536	F	96.8	Very high	86.2	Confident	35 Å²	35	75.8 Å²	75.8	15%	0.154	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	137.8	-177.8	-60.8	-75	0	0	0	111.4	Q423 F424 V426 I523 V528 Q534	Q423-F536 WeakPolarHBondContact CA-O 3.41Å; F424-F536 HydrophobicContact CE1-CB 4.43Å; F424-F536 HydrophobicContact CE2-CB 4.47Å; F424-F536 HydrophobicContact CE2-CD2 4.29Å; F424-F536 HydrophobicContact CZ-CB 4.26Å; F424-F536 PolarHBondContact N-O 3.41Å; F424-F536 VanDerWaalsContact N-O 3.08Å; F424-F536 PolarHBondContact O-N 2.8Å; V426-F536 HydrophobicContact CG1-CD2 4.11Å; V426-F536 HydrophobicContact CG1-CE2 3.77Å; I523-F536 HydrophobicContact CD1-CG 4.4Å; V528-F536 HydrophobicContact CG1-CE2 4.02Å; V528-F536 HydrophobicContact CG1-CZ 3.93Å; V528-F536 HydrophobicContact CG2-CZ 4.37Å; Q534-F536 HydrophobicContact CB-CE2 3.62Å; Q534-F536 HydrophobicContact CB-CZ 3.6Å; Q534-F536 HydrophobicContact CG-CZ 4.42Å
537	W	97.8	Very high	83.8	Confident	92 Å²	92	74.5 Å²	74.5	35%	0.348	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	139.3	151.7	-77.4	102.9	0	0	0	109.2	R421 I422 Q423 K441 Q443	R421-W537 HydrophobicContact CB-CE3 4.16Å; R421-W537 HydrophobicContact CB-CZ3 4.42Å; R421-W537 HydrophobicContact CG-CE3 3.81Å; R421-W537 HydrophobicContact CG-CZ3 3.76Å; I422-W537 WeakPolarHBondContact O-CA 3.16Å; Q423-W537 HydrophobicContact CB-CD2 3.8Å; Q423-W537 HydrophobicContact CB-CE3 3.74Å; Q423-W537 HydrophobicContact CB-CH2 3.75Å; Q423-W537 HydrophobicContact CB-CZ2 3.8Å; Q423-W537 HydrophobicContact CB-CZ3 3.72Å; Q423-W537 HydrophobicContact CG-CD2 4.03Å; Q423-W537 HydrophobicContact CG-CE3 4.48Å; Q423-W537 HydrophobicContact CG-CG 4.45Å; Q423-W537 HydrophobicContact CG-CZ2 4.07Å; K441-W537 HydrophobicContact CD-CH2 4.28Å; K441-W537 HydrophobicContact CG-CH2 4.17Å; Q443-W537 HydrophobicContact CB-CH2 4.49Å; Q443-W537 HydrophobicContact CB-CZ3 4.47Å; Q443-W537 HydrophobicContact CG-CH2 3.9Å; Q443-W537 HydrophobicContact CG-CZ3 4.34Å
538	K	96.6	Very high	82	Confident	86 Å²	86	68.6 Å²	68.6	37%	0.374	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	132	169	-64.8	-63.2	165.9	-152.7	0	110.4	R421 I422 F424 V521 I523	R421-K538 WeakPolarHBondContact CA-O 3.47Å; I422-K538 PolarHBondContact N-O 3.44Å; I422-K538 PolarHBondContact O-N 3.2Å; F424-K538 HydrophobicContact CE1-CB 4.46Å; F424-K538 HydrophobicContact CE1-CG 4.13Å; F424-K538 HydrophobicContact CZ-CG 4.4Å; V521-K538 HydrophobicContact CB-CB 4.18Å; V521-K538 HydrophobicContact CG1-CB 3.71Å; V521-K538 HydrophobicContact CG2-CB 4.5Å; I523-K538 HydrophobicContact CD1-CD 4.37Å; I523-K538 HydrophobicContact CD1-CG 4.11Å
539	D	96.5	Very high	81.1	Confident	114 Å²	114	70.8 Å²	70.8	61%	0.61	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	135.5	172.4	-41.4	-62.2	0	0	0	109.2	V521 K541	V521-D539 VanDerWaalsContact CG1-O 3.31Å; V521-D539 WeakPolarHBondContact CG1-O 3.38Å; D539-K541 PolarHBondContact O-N 2.99Å
540	L	94.4	Very high	80.8	Confident	10 Å²	10	69.1 Å²	69.1	5%	0.052	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-72.2	120.7	-179.1	-73.6	160.1	0	0	0	108.6	L419 G420 I422 L445 V506 V521	L419-L540 HydrophobicContact CB-CB 4.01Å; L419-L540 VanDerWaalsContact O-CD1 3.3Å; L419-L540 WeakPolarHBondContact O-CD1 3.5Å; G420-L540 WeakPolarHBondContact O-CB 3.15Å; G420-L540 PolarHBondContact O-N 3.26Å; I422-L540 HydrophobicContact CG2-CD2 4.1Å; I422-L540 HydrophobicContact CG2-CG 4.41Å; L445-L540 HydrophobicContact CD2-CD1 3.32Å; V506-L540 HydrophobicContact CB-CD1 4.39Å; V506-L540 HydrophobicContact CB-CD2 4.19Å; V506-L540 HydrophobicContact CG2-CD1 4.05Å; V506-L540 HydrophobicContact CG2-CD2 3.54Å; V506-L540 HydrophobicContact CG2-CG 4.47Å; V521-L540 HydrophobicContact CG1-CD2 4.16Å
541	K	90.4	Very high	80.7	Confident	131 Å²	131	69.1 Å²	69.1	57%	0.57	39%	0.389	S	S	*	.	B	Isolated β-bridge	trans	-78.2	156.7	169.5	-63.1	178.4	-177.5	177.5	0	108.1	G519 E520 D539 C543	G519-K541 CarbonylContact C-O 3.56Å; G519-K541 WeakPolarHBondContact CA-O 3Å; E520-K541 PolarHBondContact N-O 2.85Å; E520-K541 PolarHBondContact O-N 3.41Å; D539-K541 PolarHBondContact O-N 2.99Å; K541-C543 PolarHBondContact O-N 3.44Å
542	P	83.6	Confident	80.9	Confident	84 Å²	84	66.9 Å²	66.9	55%	0.545	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-47.9	132.4	162.2	-25.1	33.7	0	0	0	108.3	L419 S544	L419-P542 HydrophobicContact CD1-CB 4.08Å; L419-P542 HydrophobicContact CD1-CG 3.84Å; L419-P542 VanDerWaalsContact CD1-N 3.26Å; P542-S544 PolarHBondContact O-N 3.39Å
543	C	69.2	Low	81.3	Confident	20 Å²	20	60.4 Å²	60.4	14%	0.135	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-49.3	138.9	165.1	-77	0	0	0	0	107.4	Q505 P517 E520 K541 D545	Q505-C543 PolarHBondContact NE2-SG 3.4Å; P517-C543 HydrophobicContact CB-CB 4.08Å; E520-C543 VanDerWaalsContact OE2-CA 3.31Å; E520-C543 WeakPolarHBondContact OE2-CA 3.27Å; K541-C543 PolarHBondContact O-N 3.44Å; C543-D545 PolarHBondContact O-N 3.03Å
544	S	60	Low	81.5	Confident	57 Å²	57	57 Å²	57	40%	0.399	33%	0.327	S	S	.	.			trans	-71.8	69.5	175.2	177.7	0	0	0	0	109	E520 P542 G546 S547	E520-S544 PolarHBondContact OE2-N 2.92Å; P542-S544 PolarHBondContact O-N 3.39Å; S544-G546 CarbonylContact O-C 3.56Å; S544-G546 VanDerWaalsContact O-CA 3.23Å; S544-G546 WeakPolarHBondContact O-CA 3.32Å; S544-G546 PolarHBondContact O-N 3.34Å; S544-S547 WeakPolarHBondContact O-CB 3.16Å; S544-S547 PolarHBondContact O-N 2.99Å; S544-S547 PolarHBondContact O-OG 2.87Å; S544-S547 WeakPolarHBondContact OG-CB 3.37Å; S544-S547 PolarHBondContact OG-OG 2.81Å
545	D	44.4	Very low	81.7	Confident	92 Å²	92	53.7 Å²	53.7	49%	0.492	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	36.5	8.9	173.5	65.3	-62.8	0	0	0	118.9	C543 S547 K577	C543-D545 PolarHBondContact O-N 3.03Å; D545-S547 VanDerWaalsContact OD1-CB 3.3Å; D545-S547 WeakPolarHBondContact OD1-CB 3.38Å; D545-K577 PolarHBondContact O-NZ 3.46Å
546	G	45.9	Very low	81.7	Confident	45 Å²	45	50.5 Å²	50.5	46%	0.464	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	59.4	-147.2	0	0	0	0	0	111.1	S544 G548 K577	S544-G546 CarbonylContact O-C 3.56Å; S544-G546 VanDerWaalsContact O-CA 3.23Å; S544-G546 WeakPolarHBondContact O-CA 3.32Å; S544-G546 PolarHBondContact O-N 3.34Å; G546-G548 PolarHBondContact O-N 3.39Å; G546-K577 PolarHBondContact O-NZ 2.96Å
547	S	44.2	Very low	81.8	Confident	80 Å²	80	48.9 Å²	48.9	56%	0.559	29%	0.285	S	S	*	.			trans	-56.8	11	-170.7	49.4	0	0	0	0	117.3	S544 D545	S544-S547 WeakPolarHBondContact O-CB 3.16Å; S544-S547 PolarHBondContact O-N 2.99Å; S544-S547 PolarHBondContact O-OG 2.87Å; S544-S547 WeakPolarHBondContact OG-CB 3.37Å; S544-S547 PolarHBondContact OG-OG 2.81Å; D545-S547 VanDerWaalsContact OD1-CB 3.3Å; D545-S547 WeakPolarHBondContact OD1-CB 3.38Å
548	G	54.3	Low	81.8	Confident	53 Å²	53	45.3 Å²	45.3	55%	0.546	27%	0.274	S	S	.	.	S	Bend	trans	-68.7	145.5	151.6	0	0	0	0	0	109.4	G546 R550	G546-G548 PolarHBondContact O-N 3.39Å; G548-R550 PolarHBondContact O-N 2.84Å
549	S	73.7	Confident	81.9	Confident	58 Å²	58	41.8 Å²	41.8	41%	0.406	26%	0.258	S	S	.	.			trans	-42.8	130.2	174.6	176	0	0	0	0	111.5	G551 Q683	S549-G551 PolarHBondContact O-N 3.17Å; S549-G551 VanDerWaalsContact O-N 3.11Å; S549-G551 WeakPolarHBondContact OG-CA 3.47Å; S549-G551 PolarHBondContact OG-N 3.3Å; S549-G551 PolarHBondContact OG-O 3.08Å; S549-Q683 PolarHBondContact OG-OE1 2.79Å
550	R	87.8	Confident	81.9	Confident	41 Å²	41	38.7 Å²	38.7	16%	0.155	24%	0.242	C	C	.	.			trans	-69.6	0.1	170.8	-73.3	168.4	166.8	-103.8	5.2	112.6	G548 K577 I650 L684	G548-R550 PolarHBondContact O-N 2.84Å; R550-K577 HydrophobicContact CB-CB 4.48Å; R550-K577 HydrophobicContact CG-CD 3.98Å; R550-K577 PolarHBondContact O-N 3.23Å; R550-I650 WeakPolarHBondContact CD-O 3.45Å; R550-I650 PolarHBondContact NH1-O 3.09Å; R550-I650 WeakPolarHBondContact O-CG2 3.31Å; R550-L684 HydrophobicContact CB-CB 3.88Å; R550-L684 WeakPolarHBondContact CB-O 3.35Å
551	G	92	Very high	81.9	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	25%	0.252	C	S	.	.			trans	108.1	171	-170.1	0	0	0	0	0	111.6	S549 R574 N575 L684	S549-G551 PolarHBondContact O-N 3.17Å; S549-G551 VanDerWaalsContact O-N 3.11Å; S549-G551 WeakPolarHBondContact OG-CA 3.47Å; S549-G551 PolarHBondContact OG-N 3.3Å; S549-G551 PolarHBondContact OG-O 3.08Å; G551-R574 VanDerWaalsContact CA-O 3.26Å; G551-R574 WeakPolarHBondContact CA-O 3.42Å; G551-N575 WeakPolarHBondContact CA-O 3.44Å; G551-N575 PolarHBondContact N-O 2.67Å; G551-L684 WeakPolarHBondContact O-CB 3.44Å; G551-L684 WeakPolarHBondContact O-CG 3.17Å; G551-L684 PolarHBondContact O-N 3.35Å
552	E	94.9	Very high	82.1	Confident	31 Å²	31	38.1 Å²	38.1	15%	0.145	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	144.9	175	-64	176.4	123.3	0	0	110.1	A573 R574 W681 H682 Q683	E552-A573 CarbonylContact O-C 3.55Å; E552-A573 WeakPolarHBondContact O-CA 3.29Å; E552-A573 WeakPolarHBondContact O-CB 3.32Å; E552-R574 HydrophobicContact CB-CG 4.25Å; E552-R574 PolarHBondContact N-O 3.24Å; E552-R574 PolarHBondContact O-N 2.9Å; E552-R574 IonicContact OE1-NH2 2.65Å; E552-R574 IonicContact OE2-CZ 3.13Å; E552-R574 IonicContact OE2-NE 2.71Å; E552-R574 PolarHBondContact OE2-NE 2.86Å; E552-R574 IonicContact OE2-NH2 2.83Å; E552-R574 PolarHBondContact OE2-NH2 2.82Å; E552-W681 HydrophobicContact CB-CE3 3.64Å; E552-W681 HydrophobicContact CB-CZ3 4.08Å; E552-H682 CarbonylContact C-O 3.39Å; E552-H682 VanDerWaalsContact CA-O 3.22Å; E552-H682 WeakPolarHBondContact CA-O 3.4Å; E552-Q683 VanDerWaalsContact CG-CD 3.46Å; E552-Q683 HydrophobicContact CG-CG 4.08Å; E552-Q683 PolarHBondContact OE1-NE2 3.48Å
553	L	98.3	Very high	82.6	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	126.6	173.4	-171.9	69.5	0	0	0	109.9	L555 I570 A573 V589 F616 I636 V638 I653 W681 H682 L684	L553-L555 HydrophobicContact CD2-CD2 4.03Å; L553-L555 HydrophobicContact CG-CD2 4.34Å; L553-I570 HydrophobicContact CD1-CG2 4.2Å; L553-I570 HydrophobicContact CD2-CD1 4.46Å; L553-A573 HydrophobicContact CD1-CB 3.81Å; L553-V589 HydrophobicContact CD1-CG2 4.38Å; L553-V589 HydrophobicContact CD2-CG1 4.33Å; L553-F616 HydrophobicContact CD1-CE2 4.48Å; L553-I636 HydrophobicContact CD2-CG2 3.63Å; L553-V638 HydrophobicContact CD1-CG2 4.48Å; L553-V638 HydrophobicContact CD2-CG2 4.19Å; L553-I653 HydrophobicContact CB-CD1 3.77Å; L553-I653 HydrophobicContact CD2-CD1 3.9Å; L553-I653 HydrophobicContact CG-CD1 4.44Å; L553-W681 WeakPolarHBondContact O-CA 3.35Å; L553-H682 PolarHBondContact N-O 2.97Å; L553-H682 PolarHBondContact O-N 3.49Å; L553-L684 HydrophobicContact CB-CD2 4.29Å
554	L	98.4	Very high	83.9	Confident	26 Å²	26	38.7 Å²	38.7	14%	0.136	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	120.9	167.3	-179.3	59.4	0	0	0	108.6	I571 K572 A679 W681	L554-I571 HydrophobicContact CD2-CB 4.39Å; L554-I571 HydrophobicContact CD2-CG2 4.09Å; L554-I571 HydrophobicContact CG-CB 4.17Å; L554-I571 HydrophobicContact CG-CD1 4.12Å; L554-I571 HydrophobicContact CG-CG2 4.42Å; L554-I571 WeakPolarHBondContact O-CB 3.49Å; L554-I571 PolarHBondContact O-N 2.9Å; L554-K572 HydrophobicContact CB-CG 4.11Å; L554-K572 WeakPolarHBondContact CB-O 3.34Å; L554-K572 HydrophobicContact CD2-CG 4.16Å; L554-K572 PolarHBondContact N-O 2.76Å; L554-K572 PolarHBondContact O-N 2.96Å; L554-A679 HydrophobicContact CD1-CB 4.5Å; L554-W681 HydrophobicContact CB-CD2 3.75Å; L554-W681 HydrophobicContact CB-CE3 3.65Å; L554-W681 HydrophobicContact CB-CG 4.49Å; L554-W681 HydrophobicContact CB-CH2 3.84Å; L554-W681 HydrophobicContact CB-CZ2 3.92Å; L554-W681 HydrophobicContact CB-CZ3 3.69Å; L554-W681 HydrophobicContact CD1-CD2 4.24Å; L554-W681 HydrophobicContact CD1-CG 4.18Å; L554-W681 HydrophobicContact CD2-CZ2 4.08Å; L554-W681 HydrophobicContact CG-CD2 4.46Å; L554-W681 VanDerWaalsContact N-CE3 3.32Å
555	L	98.5	Very high	85.6	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	156.6	175.9	67.2	106.9	0	0	0	110.5	L553 L557 N569 I570 I636 I653 L655 H666 A679 Q680	L553-L555 HydrophobicContact CD2-CD2 4.03Å; L553-L555 HydrophobicContact CG-CD2 4.34Å; L555-L557 HydrophobicContact CD1-CD2 3.91Å; L555-L557 HydrophobicContact CD1-CG 4.01Å; L555-N569 CarbonylContact C-O 3.45Å; L555-N569 WeakPolarHBondContact CA-O 3.45Å; L555-N569 VanDerWaalsContact CB-O 3.32Å; L555-N569 WeakPolarHBondContact CB-O 3.39Å; L555-I570 HydrophobicContact CB-CD1 4.29Å; L555-I636 HydrophobicContact CD1-CD1 4.08Å; L555-I636 HydrophobicContact CD2-CD1 3.77Å; L555-I636 HydrophobicContact CG-CD1 4.46Å; L555-I653 HydrophobicContact CD2-CD1 4.13Å; L555-L655 HydrophobicContact CD1-CD1 3.88Å; L555-H666 WeakPolarHBondContact CD1-CE1 3.48Å; L555-H666 VanDerWaalsContact CG-CE1 3.44Å; L555-H666 WeakPolarHBondContact CG-CE1 3.47Å; L555-H666 PolarHBondContact O-CE1 3.1Å; L555-A679 WeakPolarHBondContact O-CA 3.43Å; L555-Q680 PolarHBondContact N-O 2.96Å; L555-Q680 PolarHBondContact O-N 3.23Å
556	S	98.6	Very high	88.1	Confident	6 Å²	6	32.3 Å²	32.3	4%	0.042	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	146	170.6	77.1	0	0	0	0	112.2	V568 N569 V678	S556-V568 WeakPolarHBondContact O-CA 3.13Å; S556-N569 PolarHBondContact N-O 3.21Å; S556-N569 PolarHBondContact O-N 3.48Å; S556-N569 WeakPolarHBondContact OG-CB 3.37Å; S556-N569 PolarHBondContact OG-ND2 3.34Å; S556-V678 CarbonylContact C-O 3.51Å; S556-V678 WeakPolarHBondContact CA-O 3.37Å; S556-V678 WeakPolarHBondContact CB-O 3.34Å
557	L	98.4	Very high	90.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	137	175	-58.8	176.3	0	0	0	109.2	L555 I567 V568 L655 H666 W667 M670 P677 V678	L555-L557 HydrophobicContact CD1-CD2 3.91Å; L555-L557 HydrophobicContact CD1-CG 4.01Å; L557-I567 WeakPolarHBondContact CA-O 3.4Å; L557-V568 HydrophobicContact CD2-CB 4.35Å; L557-V568 HydrophobicContact CD2-CG1 4.14Å; L557-V568 HydrophobicContact CD2-CG2 3.84Å; L557-L655 HydrophobicContact CD1-CD1 4.22Å; L557-L655 HydrophobicContact CD1-CD2 4.44Å; L557-L655 HydrophobicContact CD2-CD1 4.22Å; L557-H666 PolarHBondContact N-NE2 2.76Å; L557-W667 HydrophobicContact CD1-CE3 4.27Å; L557-M670 HydrophobicContact CB-CB 4.03Å; L557-M670 HydrophobicContact CB-CG 3.78Å; L557-M670 HydrophobicContact CB-SD 3.59Å; L557-M670 VanDerWaalsContact CB-SD 3.59Å; L557-M670 HydrophobicContact CD1-CB 4.42Å; L557-M670 HydrophobicContact CD1-SD 3.97Å; L557-M670 HydrophobicContact CG-SD 4.28Å; L557-P677 WeakPolarHBondContact O-CA 3.45Å; L557-V678 PolarHBondContact N-O 2.79Å; L557-V678 PolarHBondContact O-N 2.96Å
558	C	98.1	Very high	93.2	Very high	18 Å²	18	29.4 Å²	29.4	12%	0.122	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	117.9	171.3	-173.4	0	0	0	0	108.9	I566 I567 P677	C558-I566 CarbonylContact O-C 3.47Å; C558-I566 WeakPolarHBondContact O-CA 3.48Å; C558-I567 HydrophobicContact CB-CB 4.44Å; C558-I567 PolarHBondContact N-O 3.38Å; C558-I567 PolarHBondContact O-N 3.41Å; C558-P677 HydrophobicContact CB-CB 4.12Å
559	Y	97.6	Very high	95.3	Very high	11 Å²	11	29 Å²	29	4%	0.043	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	125.9	176.6	170.2	-125.2	0	0	0	110.5	P561 S565 I566 T626 L629 P674 R675	Y559-P561 HydrophobicContact CE1-CB 3.83Å; Y559-P561 HydrophobicContact CE1-CG 4.25Å; Y559-P561 WeakPolarHBondContact OH-CB 3.14Å; Y559-S565 WeakPolarHBondContact CD2-O 3.22Å; Y559-I566 HydrophobicContact CD2-CG1 3.74Å; Y559-I566 HydrophobicContact CG-CG1 4.32Å; Y559-T626 PolarHBondContact OH-OG1 3.38Å; Y559-L629 HydrophobicContact CD1-CD2 4.3Å; Y559-L629 HydrophobicContact CE1-CD2 3.69Å; Y559-L629 HydrophobicContact CE2-CD2 4.21Å; Y559-P674 CarbonylContact O-C 3.52Å; Y559-P674 WeakPolarHBondContact O-CA 3.32Å; Y559-R675 PolarHBondContact O-N 2.71Å
560	N	96.5	Very high	96.5	Very high	49 Å²	49	26.2 Å²	26.2	26%	0.262	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	100.1	172.5	-175.1	8.2	0	0	0	110	S562 A563 N564 S565 R675	N560-S562 VanDerWaalsContact C-N 3.28Å; N560-S562 PolarHBondContact O-N 3.24Å; N560-S562 PolarHBondContact OD1-N 3.41Å; N560-A563 HydrophobicContact CB-CB 4.26Å; N560-A563 WeakPolarHBondContact ND2-CB 3.35Å; N560-A563 CarbonylContact O-C 3.57Å; N560-A563 PolarHBondContact O-N 2.88Å; N560-N564 PolarHBondContact O-N 2.82Å; N560-N564 VanDerWaalsContact O-N 3.09Å; N560-S565 PolarHBondContact N-O 3.47Å; N560-S565 PolarHBondContact O-N 3.4Å; N560-R675 HydrophobicContact CB-CG 4.33Å; N560-R675 PolarHBondContact OD1-NE 3.2Å
561	P	94.2	Very high	97	Very high	42 Å²	42	26.1 Å²	26.1	27%	0.273	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-60.9	-36.2	-178.4	22.3	-32.5	0	0	0	112.6	Y559 A563 N564 P674	Y559-P561 HydrophobicContact CE1-CB 3.83Å; Y559-P561 HydrophobicContact CE1-CG 4.25Å; Y559-P561 WeakPolarHBondContact OH-CB 3.14Å; P561-A563 PolarHBondContact O-N 3.38Å; P561-N564 PolarHBondContact O-N 3.49Å; P561-P674 HydrophobicContact CG-CB 4.05Å
562	S	94.5	Very high	97.3	Very high	87 Å²	87	30.1 Å²	30.1	61%	0.608	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-69.9	-18.8	-179	-52.1	0	0	0	0	114	N560 R675	N560-S562 VanDerWaalsContact C-N 3.28Å; N560-S562 PolarHBondContact O-N 3.24Å; N560-S562 PolarHBondContact OD1-N 3.41Å; S562-R675 PolarHBondContact OG-NH2 3.31Å
563	A	94.4	Very high	97.5	Very high	52 Å²	52	28.7 Å²	28.7	43%	0.43	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-106	4	171.8	0	0	0	0	0	112.2	N560 P561 S565	N560-A563 HydrophobicContact CB-CB 4.26Å; N560-A563 WeakPolarHBondContact ND2-CB 3.35Å; N560-A563 CarbonylContact O-C 3.57Å; N560-A563 PolarHBondContact O-N 2.88Å; P561-A563 PolarHBondContact O-N 3.38Å; A563-S565 VanDerWaalsContact C-N 3.26Å; A563-S565 PolarHBondContact O-N 3.43Å
564	N	96.1	Very high	97.3	Very high	65 Å²	65	33.5 Å²	33.5	35%	0.348	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	42.2	49.6	-171	-71.9	-77	0	0	0	113	N560 P561 D623 I624 T626	N560-N564 PolarHBondContact O-N 2.82Å; N560-N564 VanDerWaalsContact O-N 3.09Å; P561-N564 PolarHBondContact O-N 3.49Å; N564-D623 CarbonylContact O-C 3.35Å; N564-I624 CarbonylContact C-O 3.59Å; N564-I624 CarbonylContact O-C 3.55Å; N564-I624 PolarHBondContact O-N 3.18Å; N564-I624 VanDerWaalsContact O-O 3.1Å; N564-T626 PolarHBondContact OD1-N 2.9Å; N564-T626 PolarHBondContact OD1-OG1 2.97Å
565	S	96.3	Very high	97	Very high	15 Å²	15	37.5 Å²	37.5	11%	0.105	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	149.4	-175.3	56.4	0	0	0	0	114.6	Y559 N560 A563 F622	Y559-S565 WeakPolarHBondContact CD2-O 3.22Å; N560-S565 PolarHBondContact N-O 3.47Å; N560-S565 PolarHBondContact O-N 3.4Å; A563-S565 VanDerWaalsContact C-N 3.26Å; A563-S565 PolarHBondContact O-N 3.43Å; S565-F622 CarbonylContact C-O 3.34Å; S565-F622 WeakPolarHBondContact CA-O 3.01Å; S565-F622 WeakPolarHBondContact CB-O 3.38Å
566	I	97.9	Very high	96.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	128.8	170.5	-60.8	179	0	0	0	109.1	C558 Y559 V568 A621 F622 I624 L629 I634 W667 M670	C558-I566 CarbonylContact O-C 3.47Å; C558-I566 WeakPolarHBondContact O-CA 3.48Å; Y559-I566 HydrophobicContact CD2-CG1 3.74Å; Y559-I566 HydrophobicContact CG-CG1 4.32Å; I566-V568 HydrophobicContact CG2-CG2 4.14Å; I566-A621 CarbonylContact O-C 3.52Å; I566-A621 WeakPolarHBondContact O-CA 3.22Å; I566-F622 PolarHBondContact N-O 3.26Å; I566-F622 PolarHBondContact O-N 3.07Å; I566-I624 HydrophobicContact CB-CD1 3.91Å; I566-I624 HydrophobicContact CD1-CD1 3.58Å; I566-I624 HydrophobicContact CG1-CD1 3.75Å; I566-L629 HydrophobicContact CD1-CD1 3.87Å; I566-I634 HydrophobicContact CD1-CD1 4.43Å; I566-I634 HydrophobicContact CG2-CD1 4.21Å; I566-W667 HydrophobicContact CD1-CH2 3.69Å; I566-W667 HydrophobicContact CD1-CZ3 4.07Å; I566-M670 HydrophobicContact CD1-CE 3.69Å; I566-M670 HydrophobicContact CD1-SD 3.88Å; I566-M670 HydrophobicContact CG1-CE 4.5Å; I566-M670 HydrophobicContact CG1-SD 4.24Å; I566-M670 HydrophobicContact CG2-SD 3.81Å
567	I	98.3	Very high	96.4	Very high	64 Å²	64	40.1 Å²	40.1	33%	0.328	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	121	169.8	-58.6	174.6	0	0	0	108.7	L557 C558 N569 S619 A621	L557-I567 WeakPolarHBondContact CA-O 3.4Å; C558-I567 HydrophobicContact CB-CB 4.44Å; C558-I567 PolarHBondContact N-O 3.38Å; C558-I567 PolarHBondContact O-N 3.41Å; I567-N569 WeakPolarHBondContact CG2-OD1 3.11Å; I567-S619 VanDerWaalsContact CG2-OG 3.29Å; I567-S619 WeakPolarHBondContact CG2-OG 3.19Å; I567-A621 HydrophobicContact CG1-CB 4.21Å
568	V	98.6	Very high	95.9	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	111.8	174.2	-174.8	0	0	0	0	108.6	S556 L557 I566 I570 V591 F620 F622 I634 I636	S556-V568 WeakPolarHBondContact O-CA 3.13Å; L557-V568 HydrophobicContact CD2-CB 4.35Å; L557-V568 HydrophobicContact CD2-CG1 4.14Å; L557-V568 HydrophobicContact CD2-CG2 3.84Å; I566-V568 HydrophobicContact CG2-CG2 4.14Å; V568-I570 HydrophobicContact CG1-CD1 3.94Å; V568-V591 HydrophobicContact CG1-CG1 4.48Å; V568-F620 PolarHBondContact N-O 3.34Å; V568-F620 PolarHBondContact O-N 3.49Å; V568-F622 HydrophobicContact CB-CE2 4.31Å; V568-F622 HydrophobicContact CG2-CD2 3.95Å; V568-F622 HydrophobicContact CG2-CE2 3.96Å; V568-I634 HydrophobicContact CG2-CD1 3.77Å; V568-I634 HydrophobicContact CG2-CG2 4.44Å; V568-I636 HydrophobicContact CG1-CD1 4.14Å
569	N	98.6	Very high	95.4	Very high	43 Å²	43	41.5 Å²	41.5	23%	0.23	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	120.9	172.8	-56.4	-37.6	0	0	0	109.6	L555 S556 I567 I571 E618 S619	L555-N569 CarbonylContact C-O 3.45Å; L555-N569 WeakPolarHBondContact CA-O 3.45Å; L555-N569 VanDerWaalsContact CB-O 3.32Å; L555-N569 WeakPolarHBondContact CB-O 3.39Å; S556-N569 PolarHBondContact N-O 3.21Å; S556-N569 PolarHBondContact O-N 3.48Å; S556-N569 WeakPolarHBondContact OG-CB 3.37Å; S556-N569 PolarHBondContact OG-ND2 3.34Å; I567-N569 WeakPolarHBondContact CG2-OD1 3.11Å; N569-I571 HydrophobicContact CB-CG1 4.24Å; N569-E618 CarbonylContact C-O 3.55Å; N569-E618 WeakPolarHBondContact CA-O 3.15Å; N569-S619 VanDerWaalsContact OD1-CB 3.24Å; N569-S619 WeakPolarHBondContact OD1-CB 3.5Å; N569-S619 PolarHBondContact OD1-OG 3.13Å
570	I	98.7	Very high	94.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	103.1	171.2	-55.2	-55.4	0	0	0	107.1	L553 L555 V568 V589 V591 T605 F616 N617 E618 F620 I636	L553-I570 HydrophobicContact CD1-CG2 4.2Å; L553-I570 HydrophobicContact CD2-CD1 4.46Å; L555-I570 HydrophobicContact CB-CD1 4.29Å; V568-I570 HydrophobicContact CG1-CD1 3.94Å; I570-V589 HydrophobicContact CD1-CG1 4.37Å; I570-V589 HydrophobicContact CG1-CG1 4.49Å; I570-V589 HydrophobicContact CG2-CB 4.16Å; I570-V589 HydrophobicContact CG2-CG1 4.34Å; I570-V589 HydrophobicContact CG2-CG2 3.87Å; I570-V591 HydrophobicContact CD1-CG2 3.88Å; I570-V591 HydrophobicContact CG1-CG2 3.99Å; I570-T605 HydrophobicContact CB-CG2 4.25Å; I570-T605 HydrophobicContact CG1-CG2 4.49Å; I570-T605 HydrophobicContact CG2-CG2 4.06Å; I570-F616 HydrophobicContact CG2-CB 4.15Å; I570-F616 HydrophobicContact CG2-CD2 3.78Å; I570-F616 HydrophobicContact CG2-CE2 4.47Å; I570-F616 HydrophobicContact CG2-CG 4.13Å; I570-F616 WeakPolarHBondContact O-CB 3.42Å; I570-N617 WeakPolarHBondContact O-CA 3.49Å; I570-N617 PolarHBondContact O-N 2.91Å; I570-E618 PolarHBondContact N-O 3.49Å; I570-E618 PolarHBondContact O-N 3.39Å; I570-F620 HydrophobicContact CG1-CD2 4.01Å; I570-F620 HydrophobicContact CG1-CE2 3.8Å; I570-I636 HydrophobicContact CD1-CD1 4.11Å; I570-I636 HydrophobicContact CD1-CG2 4.28Å
571	I	98.5	Very high	93.5	Very high	40 Å²	40	46.8 Å²	46.8	21%	0.205	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-66.4	-168	-58.6	167.9	0	0	0	109.6	L554 N569 F616 N617	L554-I571 HydrophobicContact CD2-CB 4.39Å; L554-I571 HydrophobicContact CD2-CG2 4.09Å; L554-I571 HydrophobicContact CG-CB 4.17Å; L554-I571 HydrophobicContact CG-CD1 4.12Å; L554-I571 HydrophobicContact CG-CG2 4.42Å; L554-I571 WeakPolarHBondContact O-CB 3.49Å; L554-I571 PolarHBondContact O-N 2.9Å; N569-I571 HydrophobicContact CB-CG1 4.24Å; I571-F616 PolarHBondContact O-N 3.28Å; I571-N617 PolarHBondContact O-N 3.09Å; I571-N617 PolarHBondContact O-OD1 3.47Å
572	K	98.1	Very high	92.5	Very high	83 Å²	83	48.1 Å²	48.1	36%	0.361	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	157.2	180	62.7	-175.3	177.5	-176.1	0	111.7	L554 P614 I615 W681	L554-K572 HydrophobicContact CB-CG 4.11Å; L554-K572 WeakPolarHBondContact CB-O 3.34Å; L554-K572 HydrophobicContact CD2-CG 4.16Å; L554-K572 PolarHBondContact N-O 2.76Å; L554-K572 PolarHBondContact O-N 2.96Å; K572-P614 CarbonylContact C-O 3.57Å; K572-P614 WeakPolarHBondContact CA-O 3.36Å; K572-P614 VanDerWaalsContact CB-O 3.29Å; K572-P614 WeakPolarHBondContact CB-O 3.11Å; K572-I615 HydrophobicContact CB-CB 4.29Å; K572-I615 HydrophobicContact CB-CG1 3.98Å; K572-I615 HydrophobicContact CB-CG2 4.45Å; K572-I615 HydrophobicContact CD-CG1 4.39Å; K572-W681 HydrophobicContact CG-CH2 4.07Å
573	A	98.4	Very high	91.7	Very high	2 Å²	2	46 Å²	46	2%	0.017	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	163.1	165.9	0	0	0	0	0	111.3	E552 L553 L576 N613 P614	E552-A573 CarbonylContact O-C 3.55Å; E552-A573 WeakPolarHBondContact O-CA 3.29Å; E552-A573 WeakPolarHBondContact O-CB 3.32Å; L553-A573 HydrophobicContact CD1-CB 3.81Å; A573-L576 HydrophobicContact CB-CD1 4.02Å; A573-L576 HydrophobicContact CB-CD2 3.71Å; A573-L576 HydrophobicContact CB-CG 3.9Å; A573-N613 CarbonylContact O-C 3.43Å; A573-N613 WeakPolarHBondContact O-CA 3.18Å; A573-P614 HydrophobicContact CB-CG 3.88Å; A573-P614 PolarHBondContact N-O 3.33Å
574	R	95.1	Very high	91.4	Very high	101 Å²	101	45.4 Å²	45.4	38%	0.381	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	156.7	170.1	71.1	-177.8	177.3	-173.8	-1.8	111.7	G551 E552 L576 N613 W681	G551-R574 VanDerWaalsContact CA-O 3.26Å; G551-R574 WeakPolarHBondContact CA-O 3.42Å; E552-R574 HydrophobicContact CB-CG 4.25Å; E552-R574 PolarHBondContact N-O 3.24Å; E552-R574 PolarHBondContact O-N 2.9Å; E552-R574 IonicContact OE1-NH2 2.65Å; E552-R574 IonicContact OE2-CZ 3.13Å; E552-R574 IonicContact OE2-NE 2.71Å; E552-R574 PolarHBondContact OE2-NE 2.86Å; E552-R574 IonicContact OE2-NH2 2.83Å; E552-R574 PolarHBondContact OE2-NH2 2.82Å; R574-L576 PolarHBondContact O-N 3.44Å; R574-L576 VanDerWaalsContact O-N 3.14Å; R574-N613 WeakPolarHBondContact CA-OD1 3.33Å; R574-N613 WeakPolarHBondContact CB-OD1 3.38Å; R574-W681 HydrophobicContact CB-CH2 4.09Å; R574-W681 HydrophobicContact CB-CZ3 4.25Å; R574-W681 HydrophobicContact CG-CE3 4.44Å; R574-W681 HydrophobicContact CG-CH2 3.72Å; R574-W681 HydrophobicContact CG-CZ3 3.65Å
575	N	91.7	Very high	91.3	Very high	109 Å²	109	42.3 Å²	42.3	58%	0.583	24%	0.241	S	C	*	.	S	Bend	trans	52.3	32.6	175.5	-58	11.1	0	0	0	113.3	G551 K577 L612 N613	G551-N575 WeakPolarHBondContact CA-O 3.44Å; G551-N575 PolarHBondContact N-O 2.67Å; N575-K577 PolarHBondContact O-N 3.12Å; N575-L612 PolarHBondContact N-O 3.44Å; N575-N613 PolarHBondContact N-OD1 3.34Å
576	L	94.9	Very high	91.3	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.026	24%	0.241	C	C	.	.			trans	-57.5	139.9	-179.4	-66.9	-177.3	0	0	0	110.8	A573 R574 A578 P587 L612 P614 V638 I650 L684	A573-L576 HydrophobicContact CB-CD1 4.02Å; A573-L576 HydrophobicContact CB-CD2 3.71Å; A573-L576 HydrophobicContact CB-CG 3.9Å; R574-L576 PolarHBondContact O-N 3.44Å; R574-L576 VanDerWaalsContact O-N 3.14Å; L576-A578 PolarHBondContact O-N 2.8Å; L576-A578 VanDerWaalsContact O-N 3.07Å; L576-P587 HydrophobicContact CD1-CB 3.71Å; L576-P587 HydrophobicContact CD1-CG 3.83Å; L576-L612 HydrophobicContact CB-CB 4.32Å; L576-L612 HydrophobicContact CB-CD2 4.41Å; L576-L612 WeakPolarHBondContact CB-O 3.48Å; L576-L612 WeakPolarHBondContact CG-O 3.26Å; L576-L612 PolarHBondContact N-O 2.95Å; L576-P614 HydrophobicContact CD1-CG 3.76Å; L576-V638 HydrophobicContact CD1-CG1 4.21Å; L576-V638 HydrophobicContact CD2-CG1 4.16Å; L576-I650 HydrophobicContact CB-CG2 4.47Å; L576-I650 HydrophobicContact CD1-CD1 4.44Å; L576-I650 HydrophobicContact CD2-CG2 4.22Å; L576-L684 HydrophobicContact CD2-CD1 3.43Å; L576-L684 VanDerWaalsContact CD2-CD1 3.43Å
577	K	89.7	Confident	91.3	Very high	56 Å²	56	42.5 Å²	42.5	24%	0.243	24%	0.241	C	C	.	.			trans	-64.2	110.2	168.7	-171.8	168.5	-167.6	153.9	0	108.1	D545 G546 R550 N575 M579 S585 I650	D545-K577 PolarHBondContact O-NZ 3.46Å; G546-K577 PolarHBondContact O-NZ 2.96Å; R550-K577 HydrophobicContact CB-CB 4.48Å; R550-K577 HydrophobicContact CG-CD 3.98Å; R550-K577 PolarHBondContact O-N 3.23Å; N575-K577 PolarHBondContact O-N 3.12Å; K577-M579 HydrophobicContact CD-SD 4.33Å; K577-M579 HydrophobicContact CG-SD 4.07Å; K577-M579 PolarHBondContact O-N 2.96Å; K577-S585 PolarHBondContact O-OG 2.96Å; K577-I650 HydrophobicContact CB-CG2 4.32Å
578	A	88.8	Confident	91.3	Very high	18 Å²	18	40.5 Å²	40.5	15%	0.149	23%	0.229	C	C	.	.			trans	-49.8	133	166.4	0	0	0	0	0	109.5	R514 L576 G583 T584 S585 L612	R514-A578 PolarHBondContact NH1-O 3.35Å; R514-A578 VanDerWaalsContact NH2-C 3.3Å; R514-A578 PolarHBondContact NH2-O 3.43Å; L576-A578 PolarHBondContact O-N 2.8Å; L576-A578 VanDerWaalsContact O-N 3.07Å; A578-G583 VanDerWaalsContact CB-C 3.47Å; A578-G583 WeakPolarHBondContact CB-O 3.12Å; A578-T584 CarbonylContact C-O 3.59Å; A578-T584 WeakPolarHBondContact CA-O 3.45Å; A578-T584 VanDerWaalsContact CB-O 3.25Å; A578-T584 WeakPolarHBondContact CB-O 3.46Å; A578-S585 WeakPolarHBondContact CA-OG 3.43Å; A578-L612 HydrophobicContact CB-CD1 4.1Å; A578-L612 HydrophobicContact CB-CD2 3.91Å
579	M	86.3	Confident	91.3	Very high	29 Å²	29	40.5 Å²	40.5	14%	0.143	23%	0.229	C	C	.	.			trans	-117.4	-13.4	172.5	-56	-66.4	-70.4	0	0	113.2	R514 K577 T584 S585 D640 D648 I650	R514-M579 WeakPolarHBondContact CD-O 3.49Å; R514-M579 WeakPolarHBondContact CG-O 3.27Å; R514-M579 VanDerWaalsContact CZ-CA 3.41Å; R514-M579 PolarHBondContact NE-O 2.82Å; K577-M579 HydrophobicContact CD-SD 4.33Å; K577-M579 HydrophobicContact CG-SD 4.07Å; K577-M579 PolarHBondContact O-N 2.96Å; M579-T584 PolarHBondContact N-O 3.06Å; M579-S585 PolarHBondContact N-OG 2.98Å; M579-D640 HydrophobicContact CB-CB 4.06Å; M579-D640 VanDerWaalsContact CB-OD2 3.32Å; M579-D640 WeakPolarHBondContact CB-OD2 3.46Å; M579-D648 HydrophobicContact CB-CB 3.97Å; M579-D648 HydrophobicContact CE-CB 4.09Å; M579-D648 VanDerWaalsContact CE-OD2 3.31Å; M579-D648 WeakPolarHBondContact CE-OD2 3.48Å; M579-D648 HydrophobicContact CG-CB 4.29Å; M579-I650 HydrophobicContact CG-CG1 3.86Å
580	D	82.8	Confident	91.3	Very high	40 Å²	40	40.1 Å²	40.1	21%	0.214	23%	0.226	C	C	.	.	S	Bend	trans	-61.1	146.5	164.9	-69.7	-61.8	0	0	0	111.4	R514 G582 G583 T584 S585	R514-D580 PolarHBondContact NH2-O 2.9Å; D580-G582 PolarHBondContact O-N 3.43Å; D580-G583 PolarHBondContact O-N 3.48Å; D580-T584 VanDerWaalsContact CB-O 3.27Å; D580-T584 WeakPolarHBondContact CB-O 3.42Å; D580-T584 PolarHBondContact N-O 3.03Å; D580-T584 WeakPolarHBondContact OD2-CB 3.35Å; D580-T584 PolarHBondContact OD2-OG1 3.03Å; D580-S585 VanDerWaalsContact OD2-CA 3.32Å; D580-S585 WeakPolarHBondContact OD2-CA 3.5Å; D580-S585 PolarHBondContact OD2-N 3.28Å
581	I	72	Confident	91.2	Very high	132 Å²	132	40.1 Å²	40.1	68%	0.677	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-29.4	162.9	-62.7	175.4	0	0	0	110.8	G583	I581-G583 PolarHBondContact O-N 3.18Å; I581-G583 VanDerWaalsContact O-N 3.14Å
582	G	73.6	Confident	91.2	Very high	69 Å²	69	40.7 Å²	40.7	71%	0.711	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	3.2	176.7	0	0	0	0	0	116.1	D580	D580-G582 PolarHBondContact O-N 3.43Å
583	G	77.7	Confident	91.2	Very high	44 Å²	44	37.1 Å²	37.1	45%	0.454	21%	0.21	S	C	.	.	S	Bend	trans	79.3	16.5	178.9	0	0	0	0	0	114.7	A578 D580 I581	A578-G583 VanDerWaalsContact CB-C 3.47Å; A578-G583 WeakPolarHBondContact CB-O 3.12Å; D580-G583 PolarHBondContact O-N 3.48Å; I581-G583 PolarHBondContact O-N 3.18Å; I581-G583 VanDerWaalsContact O-N 3.14Å
584	T	88.3	Confident	91.1	Very high	38 Å²	38	37.9 Å²	37.9	23%	0.233	21%	0.213	C	C	.	.			trans	-123.9	-171.7	179	52.9	0	0	0	0	111.8	A578 M579 D580 R610	A578-T584 CarbonylContact C-O 3.59Å; A578-T584 WeakPolarHBondContact CA-O 3.45Å; A578-T584 VanDerWaalsContact CB-O 3.25Å; A578-T584 WeakPolarHBondContact CB-O 3.46Å; M579-T584 PolarHBondContact N-O 3.06Å; D580-T584 VanDerWaalsContact CB-O 3.27Å; D580-T584 WeakPolarHBondContact CB-O 3.42Å; D580-T584 PolarHBondContact N-O 3.03Å; D580-T584 WeakPolarHBondContact OD2-CB 3.35Å; D580-T584 PolarHBondContact OD2-OG1 3.03Å; T584-R610 HydrophobicContact CG2-CB 4.16Å
585	S	92.9	Very high	91.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.209	C	C	.	.			trans	-145.4	153	163	-78.5	0	0	0	0	109.8	K577 A578 M579 D580 P587 R610 N611 D640	K577-S585 PolarHBondContact O-OG 2.96Å; A578-S585 WeakPolarHBondContact CA-OG 3.43Å; M579-S585 PolarHBondContact N-OG 2.98Å; D580-S585 VanDerWaalsContact OD2-CA 3.32Å; D580-S585 WeakPolarHBondContact OD2-CA 3.5Å; D580-S585 PolarHBondContact OD2-N 3.28Å; S585-P587 WeakPolarHBondContact O-CD 3.34Å; S585-R610 CarbonylContact O-C 3.58Å; S585-R610 WeakPolarHBondContact O-CA 3.24Å; S585-R610 PolarHBondContact O-N 3.48Å; S585-N611 PolarHBondContact O-N 3.37Å; S585-D640 WeakPolarHBondContact CA-OD2 3.49Å; S585-D640 WeakPolarHBondContact CB-OD2 3.46Å; S585-D640 PolarHBondContact OG-OD2 3.42Å
586	D	95.8	Very high	91.2	Very high	19 Å²	19	36.4 Å²	36.4	10%	0.102	20%	0.203	C	C	.	.			trans	-97.5	66.4	163.6	-89.9	18.2	0	0	0	110	T607 M608 K609 R610 D640 K641	D586-T607 HydrophobicContact CB-CG2 4Å; D586-T607 WeakPolarHBondContact O-CG2 3.14Å; D586-M608 CarbonylContact C-O 3.41Å; D586-M608 WeakPolarHBondContact CA-O 3.11Å; D586-K609 WeakPolarHBondContact OD1-CA 3.21Å; D586-K609 WeakPolarHBondContact OD1-CB 3.21Å; D586-K609 WeakPolarHBondContact OD2-CG 3.3Å; D586-R610 PolarHBondContact OD1-N 3.32Å; D586-D640 WeakPolarHBondContact CA-OD1 3.48Å; D586-D640 PolarHBondContact N-OD1 3.37Å; D586-K641 HydrophobicContact CB-CB 4.11Å; D586-K641 WeakPolarHBondContact O-CB 3.29Å; D586-K641 PolarHBondContact O-N 3.24Å
587	P	97.8	Very high	90.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.241	C	C	.	.			trans	-69.1	145.2	-168.6	29.2	-39.3	0	0	0	115.5	L576 S585 M608 N611 P614 V638 M639 I650	L576-P587 HydrophobicContact CD1-CB 3.71Å; L576-P587 HydrophobicContact CD1-CG 3.83Å; S585-P587 WeakPolarHBondContact O-CD 3.34Å; P587-M608 WeakPolarHBondContact CD-O 3.36Å; P587-M608 HydrophobicContact CG-CB 4.41Å; P587-M608 VanDerWaalsContact N-O 3.09Å; P587-M608 PolarHBondContact O-N 3.28Å; P587-N611 VanDerWaalsContact CD-O 3.31Å; P587-N611 WeakPolarHBondContact CD-O 3.39Å; P587-N611 WeakPolarHBondContact CG-O 3.37Å; P587-P614 HydrophobicContact CB-CG 4.35Å; P587-P614 HydrophobicContact CG-CB 4.04Å; P587-P614 HydrophobicContact CG-CG 3.71Å; P587-V638 HydrophobicContact CB-CG1 4.42Å; P587-M639 CarbonylContact C-O 3.54Å; P587-M639 WeakPolarHBondContact CA-O 3.48Å; P587-I650 HydrophobicContact CB-CD1 4.21Å
588	Y	98.4	Very high	91.1	Very high	22 Å²	22	48.7 Å²	48.7	9%	0.086	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	152.8	163.8	69.9	-71.5	0	0	0	110.8	K590 V606 T607 M639 D640 K641 N647	Y588-K590 HydrophobicContact CD2-CG 4.48Å; Y588-K590 HydrophobicContact CE2-CD 4.36Å; Y588-K590 HydrophobicContact CE2-CG 4.09Å; Y588-K590 VanDerWaalsContact OH-CE 3.26Å; Y588-K590 WeakPolarHBondContact OH-CE 3.41Å; Y588-K590 PolarHBondContact OH-NZ 2.74Å; Y588-V606 WeakPolarHBondContact CB-O 3.43Å; Y588-T607 HydrophobicContact CD1-CG2 4.47Å; Y588-M639 HydrophobicContact CD1-CB 3.85Å; Y588-M639 HydrophobicContact CE1-CB 3.5Å; Y588-M639 VanDerWaalsContact CE1-CB 3.5Å; Y588-M639 HydrophobicContact CE1-CG 4.34Å; Y588-M639 HydrophobicContact CE2-CB 4.31Å; Y588-M639 HydrophobicContact CE2-CG 4.35Å; Y588-M639 HydrophobicContact CG-CB 4.4Å; Y588-M639 PolarHBondContact N-O 3.25Å; Y588-M639 PolarHBondContact O-N 2.87Å; Y588-D640 VanDerWaalsContact CE1-O 3.3Å; Y588-D640 WeakPolarHBondContact CE1-O 3.24Å; Y588-K641 HydrophobicContact CD1-CB 3.75Å; Y588-K641 HydrophobicContact CD1-CG 4.25Å; Y588-K641 HydrophobicContact CE1-CB 3.63Å; Y588-K641 HydrophobicContact CE1-CG 3.84Å; Y588-N647 PolarHBondContact OH-OD1 2.87Å
589	V	98.7	Very high	91.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	133.5	-177.4	-169.8	0	0	0	0	109.8	L553 I570 V591 K604 T605 F616 I636 T637 V638	L553-V589 HydrophobicContact CD1-CG2 4.38Å; L553-V589 HydrophobicContact CD2-CG1 4.33Å; I570-V589 HydrophobicContact CD1-CG1 4.37Å; I570-V589 HydrophobicContact CG1-CG1 4.49Å; I570-V589 HydrophobicContact CG2-CB 4.16Å; I570-V589 HydrophobicContact CG2-CG1 4.34Å; I570-V589 HydrophobicContact CG2-CG2 3.87Å; V589-V591 HydrophobicContact CG1-CG2 4.38Å; V589-K604 CarbonylContact O-C 3.34Å; V589-K604 WeakPolarHBondContact O-CA 3.37Å; V589-T605 HydrophobicContact CB-CG2 3.85Å; V589-T605 HydrophobicContact CG2-CG2 4.33Å; V589-T605 PolarHBondContact N-OG1 3.25Å; V589-T605 PolarHBondContact O-N 3.15Å; V589-F616 HydrophobicContact CG2-CD2 4.28Å; V589-F616 HydrophobicContact CG2-CE1 4.33Å; V589-F616 HydrophobicContact CG2-CE2 3.7Å; V589-F616 HydrophobicContact CG2-CZ 3.74Å; V589-I636 HydrophobicContact CG1-CG2 3.38Å; V589-T637 CarbonylContact C-O 3.47Å; V589-T637 WeakPolarHBondContact CA-O 3.5Å; V589-V638 HydrophobicContact CG2-CG2 4.17Å
590	K	98.4	Very high	91.9	Very high	35 Å²	35	59.3 Å²	59.3	15%	0.152	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	134.5	167.2	-64.7	166.7	-174.6	156.2	0	108.1	Y588 I636 T637 M639	Y588-K590 HydrophobicContact CD2-CG 4.48Å; Y588-K590 HydrophobicContact CE2-CD 4.36Å; Y588-K590 HydrophobicContact CE2-CG 4.09Å; Y588-K590 VanDerWaalsContact OH-CE 3.26Å; Y588-K590 WeakPolarHBondContact OH-CE 3.41Å; Y588-K590 PolarHBondContact OH-NZ 2.74Å; K590-I636 CarbonylContact O-C 3.51Å; K590-I636 WeakPolarHBondContact O-CA 3.43Å; K590-T637 PolarHBondContact N-O 3.49Å; K590-T637 PolarHBondContact O-N 3.38Å; K590-M639 HydrophobicContact CD-CG 3.69Å; K590-M639 HydrophobicContact CD-SD 3.9Å; K590-M639 HydrophobicContact CG-CG 4.15Å; K590-M639 VanDerWaalsContact NZ-CE 3.28Å; K590-M639 PolarHBondContact NZ-SD 3.48Å
591	V	98.6	Very high	92.5	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	118.8	173.9	-175.3	0	0	0	0	107.7	V568 I570 V589 K602 K603 F620 F622 I634 I636	V568-V591 HydrophobicContact CG1-CG1 4.48Å; I570-V591 HydrophobicContact CD1-CG2 3.88Å; I570-V591 HydrophobicContact CG1-CG2 3.99Å; V589-V591 HydrophobicContact CG1-CG2 4.38Å; V591-K602 WeakPolarHBondContact O-CA 3.15Å; V591-K603 PolarHBondContact N-O 2.95Å; V591-K603 PolarHBondContact O-N 3.5Å; V591-F620 HydrophobicContact CB-CD2 4.37Å; V591-F620 HydrophobicContact CG2-CD2 3.85Å; V591-F620 HydrophobicContact CG2-CE2 4.07Å; V591-F622 HydrophobicContact CB-CZ 4.16Å; V591-F622 HydrophobicContact CG1-CE2 3.68Å; V591-F622 HydrophobicContact CG1-CZ 3.57Å; V591-I634 HydrophobicContact CG1-CG2 3.73Å; V591-I636 HydrophobicContact CG1-CG1 4.25Å; V591-I636 HydrophobicContact CG2-CG1 4.36Å; V591-I636 HydrophobicContact CG2-CG2 4.48Å
592	W	97.9	Very high	93.8	Very high	52 Å²	52	60 Å²	60	20%	0.197	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	132.9	178.4	-59.5	87.4	0	0	0	110.3	R599 E601 K602 I634 I635	W592-R599 HydrophobicContact CE3-CB 4.38Å; W592-R599 HydrophobicContact CE3-CG 4.1Å; W592-R599 HydrophobicContact CZ3-CB 4.49Å; W592-R599 HydrophobicContact CZ3-CG 4.29Å; W592-E601 WeakPolarHBondContact CA-O 3.32Å; W592-K602 HydrophobicContact CD2-CB 4.18Å; W592-K602 HydrophobicContact CD2-CD 4.31Å; W592-K602 HydrophobicContact CD2-CG 3.83Å; W592-K602 HydrophobicContact CE3-CB 3.64Å; W592-K602 HydrophobicContact CE3-CD 4.02Å; W592-K602 HydrophobicContact CE3-CG 3.71Å; W592-K602 HydrophobicContact CH2-CD 3.55Å; W592-K602 HydrophobicContact CH2-CG 4.15Å; W592-K602 HydrophobicContact CZ2-CD 3.83Å; W592-K602 VanDerWaalsContact CZ2-CE 3.41Å; W592-K602 HydrophobicContact CZ2-CG 4.22Å; W592-K602 HydrophobicContact CZ3-CB 3.88Å; W592-K602 HydrophobicContact CZ3-CD 3.63Å; W592-K602 HydrophobicContact CZ3-CG 3.87Å; W592-I634 WeakPolarHBondContact O-CA 3.08Å; W592-I635 HydrophobicContact CB-CB 4.37Å; W592-I635 PolarHBondContact N-O 2.97Å; W592-I635 PolarHBondContact O-N 3.47Å
593	L	97.8	Very high	94.9	Very high	8 Å²	8	59.3 Å²	59.3	4%	0.042	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	124.1	165.4	-178.4	64.8	0	0	0	108.9	V600 E601 F622 I624 T632 I634	L593-V600 HydrophobicContact CB-CB 4.42Å; L593-V600 HydrophobicContact CD2-CB 4.12Å; L593-V600 HydrophobicContact CD2-CG1 4.03Å; L593-V600 HydrophobicContact CG-CB 4.14Å; L593-V600 PolarHBondContact O-N 3.25Å; L593-E601 HydrophobicContact CB-CB 4.04Å; L593-E601 HydrophobicContact CD2-CB 4.45Å; L593-E601 PolarHBondContact N-O 2.82Å; L593-E601 PolarHBondContact O-N 3.22Å; L593-F622 HydrophobicContact CB-CD1 3.79Å; L593-F622 HydrophobicContact CB-CE1 4Å; L593-F622 HydrophobicContact CD2-CB 4.33Å; L593-F622 HydrophobicContact CD2-CD1 4.09Å; L593-F622 HydrophobicContact CG-CD1 4.41Å; L593-I624 HydrophobicContact CD1-CD1 3.68Å; L593-I624 HydrophobicContact CD1-CG1 3.91Å; L593-I624 HydrophobicContact CD2-CG1 4.1Å; L593-T632 HydrophobicContact CD1-CG2 3.57Å; L593-I634 HydrophobicContact CD1-CG1 4.21Å
594	M	96.8	Very high	95.9	Very high	18 Å²	18	64 Å²	64	9%	0.089	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	144.6	172.3	-51.2	-67.4	-61.8	0	0	109.9	D597 K598 R599 T632 T633 I635	M594-D597 WeakPolarHBondContact CE-O 3.45Å; M594-K598 WeakPolarHBondContact CA-O 3.45Å; M594-R599 HydrophobicContact CE-CG 3.83Å; M594-R599 HydrophobicContact SD-CB 4.24Å; M594-R599 HydrophobicContact SD-CG 3.43Å; M594-R599 WeakPolarHBondContact SD-CG 3.42Å; M594-T632 WeakPolarHBondContact O-CA 3.44Å; M594-T633 WeakPolarHBondContact CA-O 3.39Å; M594-T633 VanDerWaalsContact CB-O 3.22Å; M594-T633 WeakPolarHBondContact CB-O 3.38Å; M594-T633 WeakPolarHBondContact CG-O 3.41Å; M594-T633 PolarHBondContact N-O 3.45Å; M594-T633 PolarHBondContact O-N 3.5Å; M594-T633 VanDerWaalsContact O-N 3.08Å; M594-I635 HydrophobicContact CG-CD1 3.61Å; M594-I635 HydrophobicContact CG-CG1 3.83Å; M594-I635 HydrophobicContact SD-CD1 3.96Å
595	Y	95.4	Very high	96.4	Very high	74 Å²	74	62.5 Å²	62.5	29%	0.29	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	115.2	165.8	173	-113.5	0	0	0	108.2	D597 K598 K628 E631	Y595-D597 PolarHBondContact O-N 3.45Å; Y595-K598 PolarHBondContact N-O 3.23Å; Y595-K598 PolarHBondContact O-N 2.72Å; Y595-K628 HydrophobicContact CD2-CB 3.76Å; Y595-K628 HydrophobicContact CD2-CD 4.22Å; Y595-K628 HydrophobicContact CD2-CG 4.15Å; Y595-K628 HydrophobicContact CE1-CD 4.42Å; Y595-K628 HydrophobicContact CE2-CB 3.53Å; Y595-K628 HydrophobicContact CE2-CD 3.95Å; Y595-K628 HydrophobicContact CE2-CG 3.61Å; Y595-E631 HydrophobicContact CD2-CB 4.1Å; Y595-E631 HydrophobicContact CE2-CB 3.88Å; Y595-E631 PolarHBondContact OH-OE2 3.38Å
596	K	92.2	Very high	96.6	Very high	105 Å²	105	66.5 Å²	66.5	46%	0.457	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	-135.3	-155.4	-47.4	-175.5	-164.7	-108.1	0	108	K598 E631	K596-K598 VanDerWaalsContact C-N 3.32Å; K596-K598 PolarHBondContact O-N 2.74Å; K596-E631 WeakPolarHBondContact CE-OE2 3.22Å; K596-E631 HydrophobicContact CG-CB 4.23Å; K596-E631 PolarHBondContact N-O 3.38Å; K596-E631 IonicContact NZ-OE1 2.74Å; K596-E631 PolarHBondContact NZ-OE1 2.94Å; K596-E631 IonicContact NZ-OE2 2.72Å; K596-E631 PolarHBondContact NZ-OE2 3.09Å
597	D	89.2	Confident	96.7	Very high	154 Å²	154	67.6 Å²	67.6	82%	0.824	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-2.2	-177.5	-44.5	-76.6	0	0	0	113.5	M594 Y595	M594-D597 WeakPolarHBondContact CE-O 3.45Å; Y595-D597 PolarHBondContact O-N 3.45Å
598	K	93.8	Very high	96.7	Very high	166 Å²	166	70 Å²	70	72%	0.722	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	130.8	-177.8	-64.9	-173.1	179.1	-177.4	0	111.5	M594 Y595 K596 V600	M594-K598 WeakPolarHBondContact CA-O 3.45Å; Y595-K598 PolarHBondContact N-O 3.23Å; Y595-K598 PolarHBondContact O-N 2.72Å; K596-K598 VanDerWaalsContact C-N 3.32Å; K596-K598 PolarHBondContact O-N 2.74Å; K598-V600 PolarHBondContact O-N 3.48Å
599	R	95.3	Very high	96.5	Very high	181 Å²	181	76 Å²	76	68%	0.683	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	117.2	170.7	-72.1	168	-179.3	165.3	5.9	109.1	W592 M594	W592-R599 HydrophobicContact CE3-CB 4.38Å; W592-R599 HydrophobicContact CE3-CG 4.1Å; W592-R599 HydrophobicContact CZ3-CB 4.49Å; W592-R599 HydrophobicContact CZ3-CG 4.29Å; M594-R599 HydrophobicContact CE-CG 3.83Å; M594-R599 HydrophobicContact SD-CB 4.24Å; M594-R599 HydrophobicContact SD-CG 3.43Å; M594-R599 WeakPolarHBondContact SD-CG 3.42Å
600	V	95.6	Very high	96.2	Very high	89 Å²	89	85 Å²	85	54%	0.539	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-52.6	-178.7	-178.1	0	0	0	0	110.7	L593 K598	L593-V600 HydrophobicContact CB-CB 4.42Å; L593-V600 HydrophobicContact CD2-CB 4.12Å; L593-V600 HydrophobicContact CD2-CG1 4.03Å; L593-V600 HydrophobicContact CG-CB 4.14Å; L593-V600 PolarHBondContact O-N 3.25Å; K598-V600 PolarHBondContact O-N 3.48Å
601	E	97	Very high	95.9	Very high	74 Å²	74	86 Å²	86	35%	0.346	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	160.1	-176.5	-146.4	-162.2	168.8	0	0	111.7	W592 L593 K603 F622	W592-E601 WeakPolarHBondContact CA-O 3.32Å; L593-E601 HydrophobicContact CB-CB 4.04Å; L593-E601 HydrophobicContact CD2-CB 4.45Å; L593-E601 PolarHBondContact N-O 2.82Å; L593-E601 PolarHBondContact O-N 3.22Å; E601-K603 WeakPolarHBondContact OE1-CE 3.18Å; E601-K603 IonicContact OE1-NZ 2.68Å; E601-K603 PolarHBondContact OE1-NZ 3.44Å; E601-K603 IonicContact OE2-NZ 3.11Å; E601-K603 PolarHBondContact OE2-NZ 3.28Å; E601-F622 HydrophobicContact CB-CD1 4.3Å; E601-F622 HydrophobicContact CB-CE1 4.22Å; E601-F622 WeakPolarHBondContact OE2-CD1 3.36Å; E601-F622 WeakPolarHBondContact OE2-CE1 3.49Å
602	K	97.8	Very high	95.7	Very high	112 Å²	112	88.3 Å²	88.3	49%	0.487	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	119.1	-179.3	-176.4	-165.6	-170.5	171.2	0	111.2	V591 W592	V591-K602 WeakPolarHBondContact O-CA 3.15Å; W592-K602 HydrophobicContact CD2-CB 4.18Å; W592-K602 HydrophobicContact CD2-CD 4.31Å; W592-K602 HydrophobicContact CD2-CG 3.83Å; W592-K602 HydrophobicContact CE3-CB 3.64Å; W592-K602 HydrophobicContact CE3-CD 4.02Å; W592-K602 HydrophobicContact CE3-CG 3.71Å; W592-K602 HydrophobicContact CH2-CD 3.55Å; W592-K602 HydrophobicContact CH2-CG 4.15Å; W592-K602 HydrophobicContact CZ2-CD 3.83Å; W592-K602 VanDerWaalsContact CZ2-CE 3.41Å; W592-K602 HydrophobicContact CZ2-CG 4.22Å; W592-K602 HydrophobicContact CZ3-CB 3.88Å; W592-K602 HydrophobicContact CZ3-CD 3.63Å; W592-K602 HydrophobicContact CZ3-CG 3.87Å
603	K	98.3	Very high	95.7	Very high	54 Å²	54	89.7 Å²	89.7	24%	0.235	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	162.9	171.5	-69.7	171.5	173.2	134.1	0	109.9	V591 E601 F620 A621 F622	V591-K603 PolarHBondContact N-O 2.95Å; V591-K603 PolarHBondContact O-N 3.5Å; E601-K603 WeakPolarHBondContact OE1-CE 3.18Å; E601-K603 IonicContact OE1-NZ 2.68Å; E601-K603 PolarHBondContact OE1-NZ 3.44Å; E601-K603 IonicContact OE2-NZ 3.11Å; E601-K603 PolarHBondContact OE2-NZ 3.28Å; K603-F620 HydrophobicContact CB-CB 4.35Å; K603-F620 HydrophobicContact CB-CD1 3.71Å; K603-F620 HydrophobicContact CB-CD2 4.4Å; K603-F620 HydrophobicContact CB-CE1 4.09Å; K603-F620 HydrophobicContact CB-CG 3.89Å; K603-F620 HydrophobicContact CD-CB 3.86Å; K603-F620 HydrophobicContact CD-CD1 3.96Å; K603-F620 HydrophobicContact CD-CG 4.18Å; K603-F620 HydrophobicContact CG-CD1 4.24Å; K603-A621 PolarHBondContact NZ-O 3.08Å; K603-F622 HydrophobicContact CB-CZ 4.13Å; K603-F622 HydrophobicContact CD-CE1 3.86Å; K603-F622 HydrophobicContact CD-CE2 4.39Å; K603-F622 HydrophobicContact CD-CZ 3.77Å; K603-F622 HydrophobicContact CG-CE1 4.26Å; K603-F622 HydrophobicContact CG-CZ 4.18Å
604	K	98	Very high	95.7	Very high	142 Å²	142	89.3 Å²	89.3	62%	0.617	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150.2	150.1	-178.8	62.6	168.7	-173.6	173.2	0	110.6	V589 F620	V589-K604 CarbonylContact O-C 3.34Å; V589-K604 WeakPolarHBondContact O-CA 3.37Å; K604-F620 WeakPolarHBondContact O-CZ 3.43Å
605	T	98.6	Very high	95.7	Very high	7 Å²	7	93.2 Å²	93.2	4%	0.043	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-78.9	172.2	169.9	66.7	0	0	0	0	111.9	I570 V589 F616 E618 F620	I570-T605 HydrophobicContact CB-CG2 4.25Å; I570-T605 HydrophobicContact CG1-CG2 4.49Å; I570-T605 HydrophobicContact CG2-CG2 4.06Å; V589-T605 HydrophobicContact CB-CG2 3.85Å; V589-T605 HydrophobicContact CG2-CG2 4.33Å; V589-T605 PolarHBondContact N-OG1 3.25Å; V589-T605 PolarHBondContact O-N 3.15Å; T605-F616 HydrophobicContact CG2-CB 4.31Å; T605-F616 HydrophobicContact CG2-CD1 3.99Å; T605-F616 HydrophobicContact CG2-CG 4.2Å; T605-E618 WeakPolarHBondContact CA-OE1 3.48Å; T605-E618 WeakPolarHBondContact CA-OE2 3.45Å; T605-E618 WeakPolarHBondContact CB-OE1 3.38Å; T605-E618 HydrophobicContact CG2-CB 4.33Å; T605-F620 HydrophobicContact CG2-CE2 4.04Å; T605-F620 HydrophobicContact CG2-CZ 4.07Å
606	V	97.9	Very high	95.9	Very high	84 Å²	84	90.4 Å²	90.4	51%	0.509	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-64.8	167	157.2	-52.8	0	0	0	0	111.1	Y588 M608 E618	Y588-V606 WeakPolarHBondContact CB-O 3.43Å; V606-M608 HydrophobicContact CG2-CE 3.69Å; V606-E618 PolarHBondContact N-OE1 3.34Å
607	T	97.8	Very high	96.2	Very high	43 Å²	43	90.9 Å²	90.9	26%	0.264	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-97.6	117.6	176.9	-48	0	0	0	0	110.5	D586 Y588 K641	D586-T607 HydrophobicContact CB-CG2 4Å; D586-T607 WeakPolarHBondContact O-CG2 3.14Å; Y588-T607 HydrophobicContact CD1-CG2 4.47Å; T607-K641 HydrophobicContact CG2-CB 3.69Å; T607-K641 HydrophobicContact CG2-CD 3.7Å; T607-K641 HydrophobicContact CG2-CG 4.3Å
608	M	96.4	Very high	96.6	Very high	50 Å²	50	85.7 Å²	85.7	25%	0.246	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-86.5	126.7	172.6	-63.1	-64	174.1	0	0	108.2	D586 P587 V606 P614 I615 F616	D586-M608 CarbonylContact C-O 3.41Å; D586-M608 WeakPolarHBondContact CA-O 3.11Å; P587-M608 WeakPolarHBondContact CD-O 3.36Å; P587-M608 HydrophobicContact CG-CB 4.41Å; P587-M608 VanDerWaalsContact N-O 3.09Å; P587-M608 PolarHBondContact O-N 3.28Å; V606-M608 HydrophobicContact CG2-CE 3.69Å; M608-P614 HydrophobicContact CB-CB 3.81Å; M608-P614 HydrophobicContact CG-CB 3.8Å; M608-I615 WeakPolarHBondContact CE-O 3.19Å; M608-F616 HydrophobicContact CE-CD1 4.2Å; M608-F616 HydrophobicContact CG-CD1 4.01Å; M608-F616 HydrophobicContact CG-CE1 3.76Å
609	K	94.6	Very high	96.8	Very high	147 Å²	147	81.2 Å²	81.2	64%	0.639	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-91.2	139.4	-172.7	-60.7	-177.3	-175.1	157.6	0	113.2	D586 N611	D586-K609 WeakPolarHBondContact OD1-CA 3.21Å; D586-K609 WeakPolarHBondContact OD1-CB 3.21Å; D586-K609 WeakPolarHBondContact OD2-CG 3.3Å; K609-N611 VanDerWaalsContact C-N 3.28Å; K609-N611 PolarHBondContact O-N 2.83Å
610	R	92.6	Very high	96.9	Very high	191 Å²	191	73.6 Å²	73.6	72%	0.721	36%	0.363	S	S	*	.	S	Bend	trans	44.2	48.4	174.2	-60.3	-178	-59.6	177.5	4.1	113.5	T584 S585 D586	T584-R610 HydrophobicContact CG2-CB 4.16Å; S585-R610 CarbonylContact O-C 3.58Å; S585-R610 WeakPolarHBondContact O-CA 3.24Å; S585-R610 PolarHBondContact O-N 3.48Å; D586-R610 PolarHBondContact OD1-N 3.32Å
611	N	92.9	Very high	97.1	Very high	56 Å²	56	71.7 Å²	71.7	30%	0.299	36%	0.357	S	S	.	.			trans	-137.8	118.2	-171.3	-173.1	-4.7	0	0	0	111.6	S585 P587 K609 N613	S585-N611 PolarHBondContact O-N 3.37Å; P587-N611 VanDerWaalsContact CD-O 3.31Å; P587-N611 WeakPolarHBondContact CD-O 3.39Å; P587-N611 WeakPolarHBondContact CG-O 3.37Å; K609-N611 VanDerWaalsContact C-N 3.28Å; K609-N611 PolarHBondContact O-N 2.83Å; N611-N613 WeakPolarHBondContact OD1-CA 3.17Å; N611-N613 PolarHBondContact OD1-N 3.42Å; N611-N613 PolarHBondContact OD1-O 3.31Å
612	L	94.4	Very high	97.1	Very high	47 Å²	47	68.2 Å²	68.2	25%	0.246	34%	0.34	C	S	.	.	S	Bend	trans	-90.3	-1.9	177.8	-53.7	-177.5	0	0	0	113.8	N575 L576 A578 P614	N575-L612 PolarHBondContact N-O 3.44Å; L576-L612 HydrophobicContact CB-CB 4.32Å; L576-L612 HydrophobicContact CB-CD2 4.41Å; L576-L612 WeakPolarHBondContact CB-O 3.48Å; L576-L612 WeakPolarHBondContact CG-O 3.26Å; L576-L612 PolarHBondContact N-O 2.95Å; A578-L612 HydrophobicContact CB-CD1 4.1Å; A578-L612 HydrophobicContact CB-CD2 3.91Å; L612-P614 VanDerWaalsContact C-CD 3.44Å
613	N	96.8	Very high	97	Very high	82 Å²	82	68.9 Å²	68.9	44%	0.439	35%	0.35	S	S	.	.	S	Bend	trans	-132.6	56	177.2	-56.9	-77.6	0	0	0	111.1	A573 R574 N575 N611	A573-N613 CarbonylContact O-C 3.43Å; A573-N613 WeakPolarHBondContact O-CA 3.18Å; R574-N613 WeakPolarHBondContact CA-OD1 3.33Å; R574-N613 WeakPolarHBondContact CB-OD1 3.38Å; N575-N613 PolarHBondContact N-OD1 3.34Å; N611-N613 WeakPolarHBondContact OD1-CA 3.17Å; N611-N613 PolarHBondContact OD1-N 3.42Å; N611-N613 PolarHBondContact OD1-O 3.31Å
614	P	97.9	Very high	96.9	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.339	C	S	.	.			trans	-67.7	140.4	-175.6	30.8	-38.5	0	0	0	112.5	K572 A573 L576 P587 M608 L612 F616	K572-P614 CarbonylContact C-O 3.57Å; K572-P614 WeakPolarHBondContact CA-O 3.36Å; K572-P614 VanDerWaalsContact CB-O 3.29Å; K572-P614 WeakPolarHBondContact CB-O 3.11Å; A573-P614 HydrophobicContact CB-CG 3.88Å; A573-P614 PolarHBondContact N-O 3.33Å; L576-P614 HydrophobicContact CD1-CG 3.76Å; P587-P614 HydrophobicContact CB-CG 4.35Å; P587-P614 HydrophobicContact CG-CB 4.04Å; P587-P614 HydrophobicContact CG-CG 3.71Å; M608-P614 HydrophobicContact CB-CB 3.81Å; M608-P614 HydrophobicContact CG-CB 3.8Å; L612-P614 VanDerWaalsContact C-CD 3.44Å; P614-F616 HydrophobicContact CB-CD2 4.46Å; P614-F616 HydrophobicContact CB-CE1 4.15Å; P614-F616 HydrophobicContact CB-CE2 3.81Å; P614-F616 HydrophobicContact CB-CZ 3.62Å; P614-F616 HydrophobicContact CG-CE2 3.53Å; P614-F616 HydrophobicContact CG-CZ 3.53Å
615	I	98.4	Very high	96.6	Very high	100 Å²	100	62 Å²	62	51%	0.513	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.7	168	-58.6	173.3	0	0	0	106.8	K572 M608	K572-I615 HydrophobicContact CB-CB 4.29Å; K572-I615 HydrophobicContact CB-CG1 3.98Å; K572-I615 HydrophobicContact CB-CG2 4.45Å; K572-I615 HydrophobicContact CD-CG1 4.39Å; M608-I615 WeakPolarHBondContact CE-O 3.19Å
616	F	98.3	Very high	96.1	Very high	15 Å²	15	65.1 Å²	65.1	7%	0.066	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-50.2	-177.4	-58.7	-80.3	0	0	0	111.4	L553 I570 I571 V589 T605 M608 P614 E618	L553-F616 HydrophobicContact CD1-CE2 4.48Å; I570-F616 HydrophobicContact CG2-CB 4.15Å; I570-F616 HydrophobicContact CG2-CD2 3.78Å; I570-F616 HydrophobicContact CG2-CE2 4.47Å; I570-F616 HydrophobicContact CG2-CG 4.13Å; I570-F616 WeakPolarHBondContact O-CB 3.42Å; I571-F616 PolarHBondContact O-N 3.28Å; V589-F616 HydrophobicContact CG2-CD2 4.28Å; V589-F616 HydrophobicContact CG2-CE1 4.33Å; V589-F616 HydrophobicContact CG2-CE2 3.7Å; V589-F616 HydrophobicContact CG2-CZ 3.74Å; T605-F616 HydrophobicContact CG2-CB 4.31Å; T605-F616 HydrophobicContact CG2-CD1 3.99Å; T605-F616 HydrophobicContact CG2-CG 4.2Å; M608-F616 HydrophobicContact CE-CD1 4.2Å; M608-F616 HydrophobicContact CG-CD1 4.01Å; M608-F616 HydrophobicContact CG-CE1 3.76Å; P614-F616 HydrophobicContact CB-CD2 4.46Å; P614-F616 HydrophobicContact CB-CE1 4.15Å; P614-F616 HydrophobicContact CB-CE2 3.81Å; P614-F616 HydrophobicContact CB-CZ 3.62Å; P614-F616 HydrophobicContact CG-CE2 3.53Å; P614-F616 HydrophobicContact CG-CZ 3.53Å; F616-E618 PolarHBondContact O-N 3.32Å
617	N	97.9	Very high	95.8	Very high	115 Å²	115	68.2 Å²	68.2	62%	0.615	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	50.9	34.7	-173.6	-62.7	-21.7	0	0	0	114.1	I570 I571	I570-N617 WeakPolarHBondContact O-CA 3.49Å; I570-N617 PolarHBondContact O-N 2.91Å; I571-N617 PolarHBondContact O-N 3.09Å; I571-N617 PolarHBondContact O-OD1 3.47Å
618	E	98.4	Very high	95.5	Very high	44 Å²	44	69.4 Å²	69.4	21%	0.206	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	144	179.7	-70.4	-173.6	-120.9	0	0	111.6	N569 I570 T605 V606 F616 F620	N569-E618 CarbonylContact C-O 3.55Å; N569-E618 WeakPolarHBondContact CA-O 3.15Å; I570-E618 PolarHBondContact N-O 3.49Å; I570-E618 PolarHBondContact O-N 3.39Å; T605-E618 WeakPolarHBondContact CA-OE1 3.48Å; T605-E618 WeakPolarHBondContact CA-OE2 3.45Å; T605-E618 WeakPolarHBondContact CB-OE1 3.38Å; T605-E618 HydrophobicContact CG2-CB 4.33Å; V606-E618 PolarHBondContact N-OE1 3.34Å; F616-E618 PolarHBondContact O-N 3.32Å; E618-F620 HydrophobicContact CB-CE2 4.34Å; E618-F620 HydrophobicContact CB-CZ 3.94Å
619	S	98.1	Very high	95.3	Very high	72 Å²	72	67.8 Å²	67.8	50%	0.503	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.1	-175.7	-169.1	0	0	0	0	111.6	I567 N569	I567-S619 VanDerWaalsContact CG2-OG 3.29Å; I567-S619 WeakPolarHBondContact CG2-OG 3.19Å; N569-S619 VanDerWaalsContact OD1-CB 3.24Å; N569-S619 WeakPolarHBondContact OD1-CB 3.5Å; N569-S619 PolarHBondContact OD1-OG 3.13Å
620	F	98.3	Very high	95.2	Very high	22 Å²	22	71 Å²	71	10%	0.096	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	103.1	-178.3	-56.8	-53.1	0	0	0	110.3	V568 I570 V591 K603 K604 T605 E618 F622	V568-F620 PolarHBondContact N-O 3.34Å; V568-F620 PolarHBondContact O-N 3.49Å; I570-F620 HydrophobicContact CG1-CD2 4.01Å; I570-F620 HydrophobicContact CG1-CE2 3.8Å; V591-F620 HydrophobicContact CB-CD2 4.37Å; V591-F620 HydrophobicContact CG2-CD2 3.85Å; V591-F620 HydrophobicContact CG2-CE2 4.07Å; K603-F620 HydrophobicContact CB-CB 4.35Å; K603-F620 HydrophobicContact CB-CD1 3.71Å; K603-F620 HydrophobicContact CB-CD2 4.4Å; K603-F620 HydrophobicContact CB-CE1 4.09Å; K603-F620 HydrophobicContact CB-CG 3.89Å; K603-F620 HydrophobicContact CD-CB 3.86Å; K603-F620 HydrophobicContact CD-CD1 3.96Å; K603-F620 HydrophobicContact CD-CG 4.18Å; K603-F620 HydrophobicContact CG-CD1 4.24Å; K604-F620 WeakPolarHBondContact O-CZ 3.43Å; T605-F620 HydrophobicContact CG2-CE2 4.04Å; T605-F620 HydrophobicContact CG2-CZ 4.07Å; E618-F620 HydrophobicContact CB-CE2 4.34Å; E618-F620 HydrophobicContact CB-CZ 3.94Å; F620-F622 HydrophobicContact CB-CD2 4.41Å; F620-F622 HydrophobicContact CB-CE2 3.64Å; F620-F622 HydrophobicContact CB-CZ 4.15Å; F620-F622 WeakPolarHBondContact O-CD2 3.42Å
621	A	97.8	Very high	95.3	Very high	49 Å²	49	65.6 Å²	65.6	41%	0.405	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	142.8	168	0	0	0	0	0	110.7	I566 I567 K603	I566-A621 CarbonylContact O-C 3.52Å; I566-A621 WeakPolarHBondContact O-CA 3.22Å; I567-A621 HydrophobicContact CG1-CB 4.21Å; K603-A621 PolarHBondContact NZ-O 3.08Å
622	F	97.7	Very high	95.5	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	128.7	176.7	-68.9	-85.1	0	0	0	109.9	S565 I566 V568 V591 L593 E601 K603 F620 I624	S565-F622 CarbonylContact C-O 3.34Å; S565-F622 WeakPolarHBondContact CA-O 3.01Å; S565-F622 WeakPolarHBondContact CB-O 3.38Å; I566-F622 PolarHBondContact N-O 3.26Å; I566-F622 PolarHBondContact O-N 3.07Å; V568-F622 HydrophobicContact CB-CE2 4.31Å; V568-F622 HydrophobicContact CG2-CD2 3.95Å; V568-F622 HydrophobicContact CG2-CE2 3.96Å; V591-F622 HydrophobicContact CB-CZ 4.16Å; V591-F622 HydrophobicContact CG1-CE2 3.68Å; V591-F622 HydrophobicContact CG1-CZ 3.57Å; L593-F622 HydrophobicContact CB-CD1 3.79Å; L593-F622 HydrophobicContact CB-CE1 4Å; L593-F622 HydrophobicContact CD2-CB 4.33Å; L593-F622 HydrophobicContact CD2-CD1 4.09Å; L593-F622 HydrophobicContact CG-CD1 4.41Å; E601-F622 HydrophobicContact CB-CD1 4.3Å; E601-F622 HydrophobicContact CB-CE1 4.22Å; E601-F622 WeakPolarHBondContact OE2-CD1 3.36Å; E601-F622 WeakPolarHBondContact OE2-CE1 3.49Å; K603-F622 HydrophobicContact CB-CZ 4.13Å; K603-F622 HydrophobicContact CD-CE1 3.86Å; K603-F622 HydrophobicContact CD-CE2 4.39Å; K603-F622 HydrophobicContact CD-CZ 3.77Å; K603-F622 HydrophobicContact CG-CE1 4.26Å; K603-F622 HydrophobicContact CG-CZ 4.18Å; F620-F622 HydrophobicContact CB-CD2 4.41Å; F620-F622 HydrophobicContact CB-CE2 3.64Å; F620-F622 HydrophobicContact CB-CZ 4.15Å; F620-F622 WeakPolarHBondContact O-CD2 3.42Å; F622-I624 HydrophobicContact CB-CD1 3.93Å; F622-I624 HydrophobicContact CB-CG1 4.3Å; F622-I624 PolarHBondContact O-N 2.98Å
623	D	96.4	Very high	95.6	Very high	127 Å²	127	62.3 Å²	62.3	68%	0.679	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	113.8	-179.6	-56.4	-38.3	0	0	0	110	N564	N564-D623 CarbonylContact O-C 3.35Å
624	I	94.9	Very high	95.7	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.015	30%	0.3	C	S	.	.			trans	-134.1	97	-169.8	-62.6	160.4	0	0	0	107.5	N564 I566 L593 F622 T626 L629 T632	N564-I624 CarbonylContact C-O 3.59Å; N564-I624 CarbonylContact O-C 3.55Å; N564-I624 PolarHBondContact O-N 3.18Å; N564-I624 VanDerWaalsContact O-O 3.1Å; I566-I624 HydrophobicContact CB-CD1 3.91Å; I566-I624 HydrophobicContact CD1-CD1 3.58Å; I566-I624 HydrophobicContact CG1-CD1 3.75Å; L593-I624 HydrophobicContact CD1-CD1 3.68Å; L593-I624 HydrophobicContact CD1-CG1 3.91Å; L593-I624 HydrophobicContact CD2-CG1 4.1Å; F622-I624 HydrophobicContact CB-CD1 3.93Å; F622-I624 HydrophobicContact CB-CG1 4.3Å; F622-I624 PolarHBondContact O-N 2.98Å; I624-T626 PolarHBondContact O-N 3.47Å; I624-L629 HydrophobicContact CG2-CB 4.48Å; I624-L629 HydrophobicContact CG2-CD1 4.33Å; I624-T632 HydrophobicContact CD1-CG2 4.14Å; I624-T632 HydrophobicContact CG2-CG2 4.45Å; I624-T632 WeakPolarHBondContact CG2-OG1 3.22Å
625	P	93.3	Very high	95.7	Very high	48 Å²	48	59.9 Å²	59.9	31%	0.312	31%	0.308	S	S	.	.			trans	-51.8	138.3	172.2	-28.2	36.2	0	0	0	111.6	E627 K628 L629	P625-E627 HydrophobicContact CB-CG 4.11Å; P625-E627 PolarHBondContact O-N 3.33Å; P625-E627 VanDerWaalsContact O-N 3.12Å; P625-K628 HydrophobicContact CB-CD 4.43Å; P625-K628 HydrophobicContact CB-CG 4.29Å; P625-K628 HydrophobicContact CG-CD 4.28Å; P625-K628 WeakPolarHBondContact O-CB 3.45Å; P625-K628 PolarHBondContact O-N 3.49Å; P625-L629 PolarHBondContact O-N 2.68Å
626	T	87.9	Confident	95.7	Very high	72 Å²	72	55.1 Å²	55.1	44%	0.442	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-32.2	-173.2	-61.4	0	0	0	0	113.1	Y559 N564 I624 K628 L629	Y559-T626 PolarHBondContact OH-OG1 3.38Å; N564-T626 PolarHBondContact OD1-N 2.9Å; N564-T626 PolarHBondContact OD1-OG1 2.97Å; I624-T626 PolarHBondContact O-N 3.47Å; T626-K628 VanDerWaalsContact C-N 3.28Å; T626-K628 PolarHBondContact O-N 3.19Å; T626-L629 WeakPolarHBondContact O-CB 3.42Å; T626-L629 PolarHBondContact O-N 3.02Å
627	E	90.5	Very high	95.7	Very high	149 Å²	149	55 Å²	55	70%	0.696	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-34.8	171.9	73.3	-167.3	178.6	0	0	113.3	P625	P625-E627 HydrophobicContact CB-CG 4.11Å; P625-E627 PolarHBondContact O-N 3.33Å; P625-E627 VanDerWaalsContact O-N 3.12Å
628	K	92.4	Very high	95.7	Very high	69 Å²	69	49.6 Å²	49.6	30%	0.3	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-19.7	-173.1	-57.2	-170.4	-170.9	171	0	112.6	Y595 P625 T626 R630 E631 T632	Y595-K628 HydrophobicContact CD2-CB 3.76Å; Y595-K628 HydrophobicContact CD2-CD 4.22Å; Y595-K628 HydrophobicContact CD2-CG 4.15Å; Y595-K628 HydrophobicContact CE1-CD 4.42Å; Y595-K628 HydrophobicContact CE2-CB 3.53Å; Y595-K628 HydrophobicContact CE2-CD 3.95Å; Y595-K628 HydrophobicContact CE2-CG 3.61Å; P625-K628 HydrophobicContact CB-CD 4.43Å; P625-K628 HydrophobicContact CB-CG 4.29Å; P625-K628 HydrophobicContact CG-CD 4.28Å; P625-K628 WeakPolarHBondContact O-CB 3.45Å; P625-K628 PolarHBondContact O-N 3.49Å; T626-K628 VanDerWaalsContact C-N 3.28Å; T626-K628 PolarHBondContact O-N 3.19Å; K628-R630 PolarHBondContact O-N 3.01Å; K628-E631 CarbonylContact O-C 3.54Å; K628-E631 PolarHBondContact O-N 2.61Å; K628-T632 PolarHBondContact O-N 3.41Å; K628-T632 PolarHBondContact O-OG1 3.41Å; K628-T632 VanDerWaalsContact O-OG1 3.06Å
629	L	91.7	Very high	95.7	Very high	15 Å²	15	48 Å²	48	8%	0.079	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-28.4	-175.3	-175.9	65.6	0	0	0	114.2	Y559 I566 I624 P625 T626 W667 I671	Y559-L629 HydrophobicContact CD1-CD2 4.3Å; Y559-L629 HydrophobicContact CE1-CD2 3.69Å; Y559-L629 HydrophobicContact CE2-CD2 4.21Å; I566-L629 HydrophobicContact CD1-CD1 3.87Å; I624-L629 HydrophobicContact CG2-CB 4.48Å; I624-L629 HydrophobicContact CG2-CD1 4.33Å; P625-L629 PolarHBondContact O-N 2.68Å; T626-L629 WeakPolarHBondContact O-CB 3.42Å; T626-L629 PolarHBondContact O-N 3.02Å; L629-W667 HydrophobicContact CD1-CH2 4.4Å; L629-W667 HydrophobicContact CD1-CZ2 3.95Å; L629-I671 HydrophobicContact CD1-CD1 4.17Å; L629-I671 HydrophobicContact CD2-CD1 3.95Å; L629-I671 HydrophobicContact CD2-CG1 4.21Å; L629-I671 HydrophobicContact CG-CD1 4Å
630	R	92.4	Very high	95.6	Very high	214 Å²	214	44.6 Å²	44.6	81%	0.808	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-29.3	176.5	-166.7	178.6	-176.6	-164.6	0.7	113.1	K628	K628-R630 PolarHBondContact O-N 3.01Å
631	E	94.6	Very high	95.4	Very high	78 Å²	78	48.1 Å²	48.1	36%	0.364	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	0.7	-177.7	-59.2	-170.6	127	0	0	113.1	Y595 K596 K628	Y595-E631 HydrophobicContact CD2-CB 4.1Å; Y595-E631 HydrophobicContact CE2-CB 3.88Å; Y595-E631 PolarHBondContact OH-OE2 3.38Å; K596-E631 WeakPolarHBondContact CE-OE2 3.22Å; K596-E631 HydrophobicContact CG-CB 4.23Å; K596-E631 PolarHBondContact N-O 3.38Å; K596-E631 IonicContact NZ-OE1 2.74Å; K596-E631 PolarHBondContact NZ-OE1 2.94Å; K596-E631 IonicContact NZ-OE2 2.72Å; K596-E631 PolarHBondContact NZ-OE2 3.09Å; K628-E631 CarbonylContact O-C 3.54Å; K628-E631 PolarHBondContact O-N 2.61Å
632	T	96.8	Very high	94.9	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	139.3	171.9	-63.8	0	0	0	0	111.3	L593 M594 I624 K628 I634 S656 W667	L593-T632 HydrophobicContact CD1-CG2 3.57Å; M594-T632 WeakPolarHBondContact O-CA 3.44Å; I624-T632 HydrophobicContact CD1-CG2 4.14Å; I624-T632 HydrophobicContact CG2-CG2 4.45Å; I624-T632 WeakPolarHBondContact CG2-OG1 3.22Å; K628-T632 PolarHBondContact O-N 3.41Å; K628-T632 PolarHBondContact O-OG1 3.41Å; K628-T632 VanDerWaalsContact O-OG1 3.06Å; T632-I634 HydrophobicContact CG2-CG1 4.4Å; T632-S656 WeakPolarHBondContact O-CB 3.32Å; T632-W667 HydrophobicContact CG2-CH2 4.02Å; T632-W667 HydrophobicContact CG2-CZ2 4.43Å
633	T	97.6	Very high	93.8	Very high	31 Å²	31	57.5 Å²	57.5	19%	0.19	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	133.5	163.6	-61.8	0	0	0	0	109.3	M594 I635 L655 S656	M594-T633 WeakPolarHBondContact CA-O 3.39Å; M594-T633 VanDerWaalsContact CB-O 3.22Å; M594-T633 WeakPolarHBondContact CB-O 3.38Å; M594-T633 WeakPolarHBondContact CG-O 3.41Å; M594-T633 PolarHBondContact N-O 3.45Å; M594-T633 PolarHBondContact O-N 3.5Å; M594-T633 VanDerWaalsContact O-N 3.08Å; T633-I635 HydrophobicContact CG2-CG1 3.96Å; T633-L655 WeakPolarHBondContact CA-O 3.35Å; T633-S656 WeakPolarHBondContact OG1-CB 3.45Å; T633-S656 PolarHBondContact OG1-OG 3.29Å
634	I	98.1	Very high	92.6	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	116.6	170.6	-59.6	-177	0	0	0	108	I566 V568 V591 W592 L593 T632 I636 L655 W667	I566-I634 HydrophobicContact CD1-CD1 4.43Å; I566-I634 HydrophobicContact CG2-CD1 4.21Å; V568-I634 HydrophobicContact CG2-CD1 3.77Å; V568-I634 HydrophobicContact CG2-CG2 4.44Å; V591-I634 HydrophobicContact CG1-CG2 3.73Å; W592-I634 WeakPolarHBondContact O-CA 3.08Å; L593-I634 HydrophobicContact CD1-CG1 4.21Å; T632-I634 HydrophobicContact CG2-CG1 4.4Å; I634-I636 HydrophobicContact CG2-CD1 4.46Å; I634-I636 HydrophobicContact CG2-CG1 4.07Å; I634-L655 HydrophobicContact CB-CB 4.28Å; I634-L655 PolarHBondContact N-O 3.45Å; I634-L655 PolarHBondContact O-N 3.44Å; I634-W667 HydrophobicContact CD1-CH2 4.38Å; I634-W667 HydrophobicContact CD1-CZ3 4.03Å; I634-W667 HydrophobicContact CG1-CH2 4.35Å; I634-W667 HydrophobicContact CG1-CZ3 4.16Å
635	I	97.9	Very high	91.8	Very high	32 Å²	32	60.5 Å²	60.5	16%	0.164	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	117.4	177.7	-55.1	179.2	0	0	0	108.5	W592 M594 T633 Y654	W592-I635 HydrophobicContact CB-CB 4.37Å; W592-I635 PolarHBondContact N-O 2.97Å; W592-I635 PolarHBondContact O-N 3.47Å; M594-I635 HydrophobicContact CG-CD1 3.61Å; M594-I635 HydrophobicContact CG-CG1 3.83Å; M594-I635 HydrophobicContact SD-CD1 3.96Å; T633-I635 HydrophobicContact CG2-CG1 3.96Å; I635-Y654 HydrophobicContact CD1-CD1 4.05Å; I635-Y654 HydrophobicContact CD1-CE1 3.86Å; I635-Y654 HydrophobicContact CG1-CD1 3.85Å; I635-Y654 HydrophobicContact CG1-CE1 4.1Å; I635-Y654 HydrophobicContact CG2-CD1 4.32Å; I635-Y654 HydrophobicContact CG2-CE1 4.13Å
636	I	98.6	Very high	91.3	Very high	0 Å²	0	67 Å²	67	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.7	177.7	-56.8	179.2	0	0	0	107.8	L553 L555 V568 I570 V589 K590 V591 I634 K652 I653 L655	L553-I636 HydrophobicContact CD2-CG2 3.63Å; L555-I636 HydrophobicContact CD1-CD1 4.08Å; L555-I636 HydrophobicContact CD2-CD1 3.77Å; L555-I636 HydrophobicContact CG-CD1 4.46Å; V568-I636 HydrophobicContact CG1-CD1 4.14Å; I570-I636 HydrophobicContact CD1-CD1 4.11Å; I570-I636 HydrophobicContact CD1-CG2 4.28Å; V589-I636 HydrophobicContact CG1-CG2 3.38Å; K590-I636 CarbonylContact O-C 3.51Å; K590-I636 WeakPolarHBondContact O-CA 3.43Å; V591-I636 HydrophobicContact CG1-CG1 4.25Å; V591-I636 HydrophobicContact CG2-CG1 4.36Å; V591-I636 HydrophobicContact CG2-CG2 4.48Å; I634-I636 HydrophobicContact CG2-CD1 4.46Å; I634-I636 HydrophobicContact CG2-CG1 4.07Å; I636-K652 CarbonylContact O-C 3.52Å; I636-K652 VanDerWaalsContact O-CA 3.32Å; I636-K652 WeakPolarHBondContact O-CA 3.48Å; I636-I653 HydrophobicContact CB-CB 4.37Å; I636-I653 PolarHBondContact N-O 2.97Å; I636-I653 PolarHBondContact O-N 3.46Å; I636-L655 HydrophobicContact CD1-CD1 3.62Å; I636-L655 HydrophobicContact CG1-CD1 4.38Å
637	T	98.2	Very high	91.3	Very high	13 Å²	13	66.3 Å²	66.3	8%	0.08	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	117.3	-179.3	-50.8	0	0	0	0	110	V589 K590 M639 V649 G651 K652	V589-T637 CarbonylContact C-O 3.47Å; V589-T637 WeakPolarHBondContact CA-O 3.5Å; K590-T637 PolarHBondContact N-O 3.49Å; K590-T637 PolarHBondContact O-N 3.38Å; T637-M639 HydrophobicContact CG2-CG 4.15Å; T637-M639 HydrophobicContact CG2-SD 3.54Å; T637-M639 VanDerWaalsContact CG2-SD 3.54Å; T637-V649 HydrophobicContact CG2-CG1 3.96Å; T637-G651 CarbonylContact C-O 3.48Å; T637-G651 WeakPolarHBondContact CA-O 3.48Å; T637-K652 HydrophobicContact CG2-CG 4.16Å
638	V	98.2	Very high	91.2	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	124.1	169.4	-171.5	0	0	0	0	107.9	L553 L576 P587 V589 I650 G651 L684	L553-V638 HydrophobicContact CD1-CG2 4.48Å; L553-V638 HydrophobicContact CD2-CG2 4.19Å; L576-V638 HydrophobicContact CD1-CG1 4.21Å; L576-V638 HydrophobicContact CD2-CG1 4.16Å; P587-V638 HydrophobicContact CB-CG1 4.42Å; V589-V638 HydrophobicContact CG2-CG2 4.17Å; V638-I650 HydrophobicContact CB-CB 4.38Å; V638-I650 HydrophobicContact CG1-CB 4.19Å; V638-I650 HydrophobicContact CG1-CD1 4.18Å; V638-I650 HydrophobicContact CG1-CG2 4.48Å; V638-I650 PolarHBondContact O-N 3.31Å; V638-G651 PolarHBondContact N-O 3.34Å; V638-G651 PolarHBondContact O-N 3.45Å; V638-G651 VanDerWaalsContact O-N 3.14Å; V638-L684 HydrophobicContact CB-CD1 4.05Å; V638-L684 HydrophobicContact CB-CD2 4.32Å; V638-L684 HydrophobicContact CG1-CD1 4.44Å; V638-L684 HydrophobicContact CG2-CD1 3.87Å; V638-L684 HydrophobicContact CG2-CD2 3.58Å; V638-L684 HydrophobicContact CG2-CG 4.41Å
639	M	97.5	Very high	91.3	Very high	12 Å²	12	60 Å²	60	6%	0.059	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	145.6	-175.5	-56.8	-79.3	-32.6	0	0	109	P587 Y588 K590 T637 N647 D648 V649	P587-M639 CarbonylContact C-O 3.54Å; P587-M639 WeakPolarHBondContact CA-O 3.48Å; Y588-M639 HydrophobicContact CD1-CB 3.85Å; Y588-M639 HydrophobicContact CE1-CB 3.5Å; Y588-M639 VanDerWaalsContact CE1-CB 3.5Å; Y588-M639 HydrophobicContact CE1-CG 4.34Å; Y588-M639 HydrophobicContact CE2-CB 4.31Å; Y588-M639 HydrophobicContact CE2-CG 4.35Å; Y588-M639 HydrophobicContact CG-CB 4.4Å; Y588-M639 PolarHBondContact N-O 3.25Å; Y588-M639 PolarHBondContact O-N 2.87Å; K590-M639 HydrophobicContact CD-CG 3.69Å; K590-M639 HydrophobicContact CD-SD 3.9Å; K590-M639 HydrophobicContact CG-CG 4.15Å; K590-M639 VanDerWaalsContact NZ-CE 3.28Å; K590-M639 PolarHBondContact NZ-SD 3.48Å; T637-M639 HydrophobicContact CG2-CG 4.15Å; T637-M639 HydrophobicContact CG2-SD 3.54Å; T637-M639 VanDerWaalsContact CG2-SD 3.54Å; M639-N647 HydrophobicContact CE-CB 4.02Å; M639-N647 WeakPolarHBondContact CE-O 3.39Å; M639-D648 CarbonylContact C-O 3.49Å; M639-D648 WeakPolarHBondContact CA-O 3Å; M639-D648 WeakPolarHBondContact CE-O 2.99Å; M639-V649 HydrophobicContact CE-CG2 3.79Å; M639-V649 HydrophobicContact SD-CG2 3.93Å
640	D	96	Very high	91.4	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	27%	0.269	C	S	.	.			trans	-80.5	161.4	156.1	-148	-28.5	0	0	0	110.1	M579 S585 D586 Y588 N647 D648 I650	M579-D640 HydrophobicContact CB-CB 4.06Å; M579-D640 VanDerWaalsContact CB-OD2 3.32Å; M579-D640 WeakPolarHBondContact CB-OD2 3.46Å; S585-D640 WeakPolarHBondContact CA-OD2 3.49Å; S585-D640 WeakPolarHBondContact CB-OD2 3.46Å; S585-D640 PolarHBondContact OG-OD2 3.42Å; D586-D640 WeakPolarHBondContact CA-OD1 3.48Å; D586-D640 PolarHBondContact N-OD1 3.37Å; Y588-D640 VanDerWaalsContact CE1-O 3.3Å; Y588-D640 WeakPolarHBondContact CE1-O 3.24Å; D640-N647 WeakPolarHBondContact O-CB 3.22Å; D640-D648 HydrophobicContact CB-CB 4.04Å; D640-D648 PolarHBondContact N-O 3.33Å; D640-I650 HydrophobicContact CB-CD1 4.18Å; D640-I650 HydrophobicContact CB-CG1 4.22Å
641	K	94.3	Very high	91.5	Very high	96 Å²	96	49.1 Å²	49.1	42%	0.417	23%	0.23	S	C	.	.			trans	-126.7	73	-178.6	-160.7	-151.7	173.1	175.7	0	113.2	D586 Y588 T607 N647	D586-K641 HydrophobicContact CB-CB 4.11Å; D586-K641 WeakPolarHBondContact O-CB 3.29Å; D586-K641 PolarHBondContact O-N 3.24Å; Y588-K641 HydrophobicContact CD1-CB 3.75Å; Y588-K641 HydrophobicContact CD1-CG 4.25Å; Y588-K641 HydrophobicContact CE1-CB 3.63Å; Y588-K641 HydrophobicContact CE1-CG 3.84Å; T607-K641 HydrophobicContact CG2-CB 3.69Å; T607-K641 HydrophobicContact CG2-CD 3.7Å; T607-K641 HydrophobicContact CG2-CG 4.3Å; K641-N647 WeakPolarHBondContact CG-OD1 3.43Å
642	D	88.3	Confident	91.6	Very high	27 Å²	27	47.9 Å²	47.9	14%	0.144	22%	0.223	C	C	.	.			trans	-52.8	146.4	171.9	-54.3	-89	0	0	0	113.7	S645 N647 D648	D642-S645 WeakPolarHBondContact CB-OG 3.37Å; D642-S645 PolarHBondContact OD1-OG 2.85Å; D642-N647 WeakPolarHBondContact OD2-CA 3.43Å; D642-D648 PolarHBondContact OD2-N 3.44Å
643	R	75.1	Confident	91.6	Very high	219 Å²	219	47.8 Å²	47.8	83%	0.826	22%	0.223	S	C	*	.	S	Bend	trans	-94.4	-26.1	-179.6	-77.6	179.3	149.3	-144.2	-11	114.4
644	L	71.3	Confident	91.6	Very high	161 Å²	161	50.7 Å²	50.7	84%	0.843	23%	0.231	S	C	*	.	S	Bend	trans	-130.1	-8.6	-169.3	-62.1	176.1	0	0	0	113.4
645	S	77.9	Confident	91.5	Very high	32 Å²	32	50.7 Å²	50.7	22%	0.224	23%	0.231	C	C	.	.	S	Bend	trans	-128.3	-170.6	179.8	60.2	0	0	0	0	110.3	F512 D642	F512-S645 WeakPolarHBondContact O-CB 3.13Å; F512-S645 PolarHBondContact O-OG 2.79Å; D642-S645 WeakPolarHBondContact CB-OG 3.37Å; D642-S645 PolarHBondContact OD1-OG 2.85Å
646	R	81.3	Confident	91.4	Very high	184 Å²	184	49.5 Å²	49.5	69%	0.694	23%	0.226	S	C	*	.			trans	-83.6	114.7	178.5	-179.9	-170.4	-172.9	-171.7	5.4	110.4	D648	R646-D648 PolarHBondContact O-N 3.45Å; R646-D648 VanDerWaalsContact O-N 3.08Å
647	N	89.3	Confident	91.1	Very high	57 Å²	57	54.6 Å²	54.6	31%	0.305	25%	0.245	S	C	.	.			trans	-25.6	105.7	168.1	-63	-114.6	0	0	0	114.6	Y588 M639 D640 K641 D642	Y588-N647 PolarHBondContact OH-OD1 2.87Å; M639-N647 HydrophobicContact CE-CB 4.02Å; M639-N647 WeakPolarHBondContact CE-O 3.39Å; D640-N647 WeakPolarHBondContact O-CB 3.22Å; K641-N647 WeakPolarHBondContact CG-OD1 3.43Å; D642-N647 WeakPolarHBondContact OD2-CA 3.43Å
648	D	88.4	Confident	90.7	Very high	36 Å²	36	63.6 Å²	63.6	19%	0.193	28%	0.283	C	S	.	.			trans	-70.8	148.6	-177.1	-97.3	-10.5	0	0	0	114.3	M579 M639 D640 D642 R646	M579-D648 HydrophobicContact CB-CB 3.97Å; M579-D648 HydrophobicContact CE-CB 4.09Å; M579-D648 VanDerWaalsContact CE-OD2 3.31Å; M579-D648 WeakPolarHBondContact CE-OD2 3.48Å; M579-D648 HydrophobicContact CG-CB 4.29Å; M639-D648 CarbonylContact C-O 3.49Å; M639-D648 WeakPolarHBondContact CA-O 3Å; M639-D648 WeakPolarHBondContact CE-O 2.99Å; D640-D648 HydrophobicContact CB-CB 4.04Å; D640-D648 PolarHBondContact N-O 3.33Å; D642-D648 PolarHBondContact OD2-N 3.44Å; R646-D648 PolarHBondContact O-N 3.45Å; R646-D648 VanDerWaalsContact O-N 3.08Å
649	V	93.9	Very high	90.3	Very high	51 Å²	51	64.9 Å²	64.9	31%	0.309	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	109.4	174.5	-179.4	0	0	0	0	110.1	T637 M639 K652	T637-V649 HydrophobicContact CG2-CG1 3.96Å; M639-V649 HydrophobicContact CE-CG2 3.79Å; M639-V649 HydrophobicContact SD-CG2 3.93Å; V649-K652 HydrophobicContact CG1-CG 4.36Å
650	I	93.6	Very high	89.4	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	-47.5	173.3	-60.4	175.9	0	0	0	109.2	R550 L576 K577 M579 P587 V638 D640 L684	R550-I650 WeakPolarHBondContact CD-O 3.45Å; R550-I650 PolarHBondContact NH1-O 3.09Å; R550-I650 WeakPolarHBondContact O-CG2 3.31Å; L576-I650 HydrophobicContact CB-CG2 4.47Å; L576-I650 HydrophobicContact CD1-CD1 4.44Å; L576-I650 HydrophobicContact CD2-CG2 4.22Å; K577-I650 HydrophobicContact CB-CG2 4.32Å; M579-I650 HydrophobicContact CG-CG1 3.86Å; P587-I650 HydrophobicContact CB-CD1 4.21Å; V638-I650 HydrophobicContact CB-CB 4.38Å; V638-I650 HydrophobicContact CG1-CB 4.19Å; V638-I650 HydrophobicContact CG1-CD1 4.18Å; V638-I650 HydrophobicContact CG1-CG2 4.48Å; V638-I650 PolarHBondContact O-N 3.31Å; D640-I650 HydrophobicContact CB-CD1 4.18Å; D640-I650 HydrophobicContact CB-CG1 4.22Å; I650-L684 HydrophobicContact CG2-CD1 4.19Å
651	G	94.6	Very high	88.7	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.7	179.6	169	0	0	0	0	0	115.8	T637 V638 K685	T637-G651 CarbonylContact C-O 3.48Å; T637-G651 WeakPolarHBondContact CA-O 3.48Å; V638-G651 PolarHBondContact N-O 3.34Å; V638-G651 PolarHBondContact O-N 3.45Å; V638-G651 VanDerWaalsContact O-N 3.14Å; G651-K685 CarbonylContact C-O 3.6Å; G651-K685 WeakPolarHBondContact CA-O 3.26Å
652	K	96.4	Very high	88	Confident	52 Å²	52	67.9 Å²	67.9	23%	0.226	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	155.4	-171.5	-50.5	-176.7	-162.7	77	0	112.7	I636 T637 V649 Y654 K685 A686	I636-K652 CarbonylContact O-C 3.52Å; I636-K652 VanDerWaalsContact O-CA 3.32Å; I636-K652 WeakPolarHBondContact O-CA 3.48Å; T637-K652 HydrophobicContact CG2-CG 4.16Å; V649-K652 HydrophobicContact CG1-CG 4.36Å; K652-Y654 HydrophobicContact CB-CD2 4.44Å; K652-Y654 HydrophobicContact CB-CE2 3.77Å; K652-Y654 HydrophobicContact CD-CE2 4.05Å; K652-Y654 VanDerWaalsContact CD-OH 3.27Å; K652-Y654 WeakPolarHBondContact CD-OH 3.36Å; K652-K685 PolarHBondContact N-O 2.87Å; K652-K685 PolarHBondContact O-N 3.15Å; K652-A686 PolarHBondContact NZ-O 2.67Å; K652-A686 PolarHBondContact NZ-OXT 3.16Å
653	I	97	Very high	88.3	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	138.9	168.4	-59.2	154.1	0	0	0	107.1	L553 L555 I636 L655 E663 H682 L684	L553-I653 HydrophobicContact CB-CD1 3.77Å; L553-I653 HydrophobicContact CD2-CD1 3.9Å; L553-I653 HydrophobicContact CG-CD1 4.44Å; L555-I653 HydrophobicContact CD2-CD1 4.13Å; I636-I653 HydrophobicContact CB-CB 4.37Å; I636-I653 PolarHBondContact N-O 2.97Å; I636-I653 PolarHBondContact O-N 3.46Å; I653-L655 HydrophobicContact CG2-CD2 4.25Å; I653-L655 HydrophobicContact CG2-CG 4.12Å; I653-E663 HydrophobicContact CG2-CG 4.01Å; I653-H682 HydrophobicContact CD1-CB 3.59Å; I653-H682 HydrophobicContact CG1-CB 3.88Å; I653-H682 HydrophobicContact CG2-CB 4.04Å; I653-L684 HydrophobicContact CD1-CD2 3.71Å; I653-L684 HydrophobicContact CG1-CD2 3.92Å
654	Y	96.8	Very high	89.2	Confident	92 Å²	92	58.6 Å²	58.6	36%	0.361	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125	179.1	-64.5	-103.4	0	0	0	108.1	I635 K652 S659 E663	I635-Y654 HydrophobicContact CD1-CD1 4.05Å; I635-Y654 HydrophobicContact CD1-CE1 3.86Å; I635-Y654 HydrophobicContact CG1-CD1 3.85Å; I635-Y654 HydrophobicContact CG1-CE1 4.1Å; I635-Y654 HydrophobicContact CG2-CD1 4.32Å; I635-Y654 HydrophobicContact CG2-CE1 4.13Å; K652-Y654 HydrophobicContact CB-CD2 4.44Å; K652-Y654 HydrophobicContact CB-CE2 3.77Å; K652-Y654 HydrophobicContact CD-CE2 4.05Å; K652-Y654 VanDerWaalsContact CD-OH 3.27Å; K652-Y654 WeakPolarHBondContact CD-OH 3.36Å; Y654-S659 WeakPolarHBondContact O-CB 3.43Å; Y654-S659 PolarHBondContact O-OG 3.31Å; Y654-S659 VanDerWaalsContact O-OG 3.07Å; Y654-E663 WeakPolarHBondContact O-CB 3.31Å; Y654-E663 VanDerWaalsContact O-CG 3.29Å; Y654-E663 WeakPolarHBondContact O-CG 3.33Å
655	L	97.4	Very high	90.2	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	101.8	-176.7	-65.6	163.6	0	0	0	109.3	L555 L557 T633 I634 I636 I653 E663 W667	L555-L655 HydrophobicContact CD1-CD1 3.88Å; L557-L655 HydrophobicContact CD1-CD1 4.22Å; L557-L655 HydrophobicContact CD1-CD2 4.44Å; L557-L655 HydrophobicContact CD2-CD1 4.22Å; T633-L655 WeakPolarHBondContact CA-O 3.35Å; I634-L655 HydrophobicContact CB-CB 4.28Å; I634-L655 PolarHBondContact N-O 3.45Å; I634-L655 PolarHBondContact O-N 3.44Å; I636-L655 HydrophobicContact CD1-CD1 3.62Å; I636-L655 HydrophobicContact CG1-CD1 4.38Å; I653-L655 HydrophobicContact CG2-CD2 4.25Å; I653-L655 HydrophobicContact CG2-CG 4.12Å; L655-E663 HydrophobicContact CD2-CB 4.12Å; L655-E663 HydrophobicContact CD2-CG 4.38Å; L655-W667 HydrophobicContact CB-CE3 4.05Å; L655-W667 HydrophobicContact CB-CZ3 4.41Å
656	S	95.6	Very high	91.1	Very high	8 Å²	8	55.3 Å²	55.3	6%	0.056	27%	0.274	C	S	.	.	S	Bend	trans	-166.4	175.7	176.3	72.3	0	0	0	0	111.3	T632 T633 K658 S659 V664	T632-S656 WeakPolarHBondContact O-CB 3.32Å; T633-S656 WeakPolarHBondContact OG1-CB 3.45Å; T633-S656 PolarHBondContact OG1-OG 3.29Å; S656-K658 PolarHBondContact O-N 3.47Å; S656-K658 PolarHBondContact OG-N 2.94Å; S656-S659 PolarHBondContact N-OG 2.9Å; S656-S659 VanDerWaalsContact N-OG 3.1Å; S656-S659 WeakPolarHBondContact O-CB 3.41Å; S656-S659 PolarHBondContact O-N 3.26Å; S656-S659 PolarHBondContact O-OG 2.98Å; S656-S659 PolarHBondContact OG-OG 2.75Å; S656-V664 WeakPolarHBondContact O-CG2 3.35Å
657	W	92	Very high	91.9	Very high	106 Å²	106	46.5 Å²	46.5	40%	0.402	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-16.8	172.9	-64.4	110.1	0	0	0	115.4	W667 K668 I671	W657-W667 AromaticContact CD1-CD1 3.97Å; W657-W667 AromaticContact CD1-NE1 3.41Å; W657-W667 AromaticContact CD2-CD1 3.69Å; W657-W667 AromaticContact CD2-NE1 3.89Å; W657-W667 AromaticContact CE2-CD1 3.72Å; W657-W667 AromaticContact CE2-NE1 3.62Å; W657-W667 AromaticContact CG-CD1 3.9Å; W657-W667 AromaticContact CG-NE1 3.8Å; W657-W667 AromaticContact NE1-CD1 3.85Å; W657-W667 AromaticContact NE1-NE1 3.26Å; W657-K668 HydrophobicContact CZ3-CB 4.25Å; W657-K668 HydrophobicContact CZ3-CG 4.36Å; W657-I671 HydrophobicContact CH2-CD1 4.23Å; W657-I671 HydrophobicContact CZ2-CD1 3.41Å; W657-I671 VanDerWaalsContact CZ2-CD1 3.41Å; W657-I671 HydrophobicContact CZ2-CG2 4.41Å
658	K	89.1	Confident	92.2	Very high	202 Å²	202	50.1 Å²	50.1	88%	0.878	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	20.5	-179	-62.2	-173.4	177.8	-175.6	0	113.2	S656	S656-K658 PolarHBondContact O-N 3.47Å; S656-K658 PolarHBondContact OG-N 2.94Å
659	S	90.3	Very high	92.6	Very high	28 Å²	28	49.9 Å²	49.9	20%	0.196	25%	0.252	C	S	.	.	S	Bend	trans	-93.8	-174	-176.6	-61.7	0	0	0	0	112.6	Y654 S656 V664	Y654-S659 WeakPolarHBondContact O-CB 3.43Å; Y654-S659 PolarHBondContact O-OG 3.31Å; Y654-S659 VanDerWaalsContact O-OG 3.07Å; S656-S659 PolarHBondContact N-OG 2.9Å; S656-S659 VanDerWaalsContact N-OG 3.1Å; S656-S659 WeakPolarHBondContact O-CB 3.41Å; S656-S659 PolarHBondContact O-N 3.26Å; S656-S659 PolarHBondContact O-OG 2.98Å; S656-S659 PolarHBondContact OG-OG 2.75Å; S659-V664 WeakPolarHBondContact O-CG2 3.46Å
660	G	79.8	Confident	92.8	Very high	18 Å²	18	47.4 Å²	47.4	19%	0.186	24%	0.238	C	C	.	.			trans	-68.7	166.4	176.3	0	0	0	0	0	113.6	G662 E663 V664	G660-G662 PolarHBondContact O-N 3.01Å; G660-E663 WeakPolarHBondContact CA-OE2 3.25Å; G660-E663 WeakPolarHBondContact O-CB 3.35Å; G660-E663 PolarHBondContact O-N 3.37Å; G660-V664 PolarHBondContact O-N 2.93Å
661	P	80.2	Confident	92.9	Very high	120 Å²	120	49.3 Å²	49.3	78%	0.779	25%	0.247	S	C	*	.	H	α-helix	trans	-59.1	-40	-170	-27.4	35.5	0	0	0	114.9	E663 K665	P661-E663 VanDerWaalsContact C-N 3.34Å; P661-K665 VanDerWaalsContact O-CB 3.31Å; P661-K665 WeakPolarHBondContact O-CB 3.36Å; P661-K665 PolarHBondContact O-N 3.25Å
662	G	79.9	Confident	92.9	Very high	33 Å²	33	52.8 Å²	52.8	34%	0.34	28%	0.276	S	S	.	.	H	α-helix	trans	-69.5	-32.2	176.8	0	0	0	0	0	112.9	G660 H666 Q680	G660-G662 PolarHBondContact O-N 3.01Å; G662-H666 PolarHBondContact O-N 3.45Å; G662-Q680 PolarHBondContact O-NE2 2.9Å
663	E	93.4	Very high	92.9	Very high	12 Å²	12	55.8 Å²	55.8	6%	0.056	29%	0.286	C	S	.	.	H	α-helix	trans	-77.5	-45.5	178.7	-62.5	118	118.6	0	0	112.4	I653 Y654 L655 G660 P661 K665 H666 W667 K685	I653-E663 HydrophobicContact CG2-CG 4.01Å; Y654-E663 WeakPolarHBondContact O-CB 3.31Å; Y654-E663 VanDerWaalsContact O-CG 3.29Å; Y654-E663 WeakPolarHBondContact O-CG 3.33Å; L655-E663 HydrophobicContact CD2-CB 4.12Å; L655-E663 HydrophobicContact CD2-CG 4.38Å; G660-E663 WeakPolarHBondContact CA-OE2 3.25Å; G660-E663 WeakPolarHBondContact O-CB 3.35Å; G660-E663 PolarHBondContact O-N 3.37Å; P661-E663 VanDerWaalsContact C-N 3.34Å; E663-K665 VanDerWaalsContact C-N 3.28Å; E663-K665 PolarHBondContact O-N 2.84Å; E663-H666 PolarHBondContact O-N 2.9Å; E663-W667 WeakPolarHBondContact O-CB 3.35Å; E663-W667 PolarHBondContact O-N 3.43Å; E663-K685 WeakPolarHBondContact OE1-CE 3.46Å; E663-K685 IonicContact OE1-NZ 2.68Å; E663-K685 PolarHBondContact OE1-NZ 3.33Å; E663-K685 IonicContact OE2-NZ 3.57Å; E663-K685 PolarHBondContact OE2-NZ 3.04Å
664	V	94.6	Very high	92.8	Very high	39 Å²	39	59.1 Å²	59.1	24%	0.236	31%	0.307	C	S	.	.	H	α-helix	trans	-60.8	-38.5	172.8	171.1	0	0	0	0	110.6	S656 S659 G660 W667 K668	S656-V664 WeakPolarHBondContact O-CG2 3.35Å; S659-V664 WeakPolarHBondContact O-CG2 3.46Å; G660-V664 PolarHBondContact O-N 2.93Å; V664-W667 PolarHBondContact O-N 3.47Å; V664-K668 VanDerWaalsContact O-CB 3.25Å; V664-K668 WeakPolarHBondContact O-CB 3.49Å; V664-K668 PolarHBondContact O-N 3.27Å
665	K	92.9	Very high	92.8	Very high	123 Å²	123	62.4 Å²	62.4	54%	0.535	32%	0.319	S	S	.	.	H	α-helix	trans	-58.8	-51.5	172.6	-175.9	-172.8	174.4	-172	0	111.2	P661 E663 W667 K668 D669	P661-K665 VanDerWaalsContact O-CB 3.31Å; P661-K665 WeakPolarHBondContact O-CB 3.36Å; P661-K665 PolarHBondContact O-N 3.25Å; E663-K665 VanDerWaalsContact C-N 3.28Å; E663-K665 PolarHBondContact O-N 2.84Å; K665-W667 VanDerWaalsContact C-N 3.31Å; K665-W667 PolarHBondContact O-N 2.88Å; K665-K668 PolarHBondContact O-N 3.43Å; K665-D669 WeakPolarHBondContact CE-OD2 3.38Å; K665-D669 WeakPolarHBondContact O-CB 3.36Å; K665-D669 PolarHBondContact O-N 3.27Å
666	H	97.5	Very high	92.7	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-62.6	-39.8	-178.3	-167.5	-164.7	0	0	0	112.2	L555 L557 G662 E663 D669 M670 V678 A679 Q680 H682	L555-H666 WeakPolarHBondContact CD1-CE1 3.48Å; L555-H666 VanDerWaalsContact CG-CE1 3.44Å; L555-H666 WeakPolarHBondContact CG-CE1 3.47Å; L555-H666 PolarHBondContact O-CE1 3.1Å; L557-H666 PolarHBondContact N-NE2 2.76Å; G662-H666 PolarHBondContact O-N 3.45Å; E663-H666 PolarHBondContact O-N 2.9Å; H666-D669 PolarHBondContact O-N 3.37Å; H666-M670 WeakPolarHBondContact O-CB 3.4Å; H666-M670 PolarHBondContact O-N 3.43Å; H666-V678 VanDerWaalsContact NE2-CB 3.34Å; H666-V678 WeakPolarHBondContact NE2-CB 3.37Å; H666-V678 WeakPolarHBondContact NE2-CG1 3.4Å; H666-V678 CovalentContact NE2-O 1.8Å; H666-V678 PolarHBondContact NE2-O 2.9Å; H666-A679 PolarHBondContact NE2-N 2.76Å; H666-Q680 HydrophobicContact CB-CB 4.42Å; H666-H682 AromaticContact CG-NE2 3.67Å; H666-H682 AromaticContact ND1-CD2 3.96Å; H666-H682 AromaticContact ND1-CE1 3.64Å; H666-H682 AromaticContact ND1-NE2 2.86Å; H666-H682 PolarHBondContact ND1-NE2 3.31Å
667	W	97.3	Very high	92.8	Very high	0 Å²	0	71 Å²	71	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-63.6	-43.3	174.5	-168.3	-105.3	0	0	0	112.2	L557 I566 L629 T632 I634 L655 W657 E663 V664 K665 M670 I671	L557-W667 HydrophobicContact CD1-CE3 4.27Å; I566-W667 HydrophobicContact CD1-CH2 3.69Å; I566-W667 HydrophobicContact CD1-CZ3 4.07Å; L629-W667 HydrophobicContact CD1-CH2 4.4Å; L629-W667 HydrophobicContact CD1-CZ2 3.95Å; T632-W667 HydrophobicContact CG2-CH2 4.02Å; T632-W667 HydrophobicContact CG2-CZ2 4.43Å; I634-W667 HydrophobicContact CD1-CH2 4.38Å; I634-W667 HydrophobicContact CD1-CZ3 4.03Å; I634-W667 HydrophobicContact CG1-CH2 4.35Å; I634-W667 HydrophobicContact CG1-CZ3 4.16Å; L655-W667 HydrophobicContact CB-CE3 4.05Å; L655-W667 HydrophobicContact CB-CZ3 4.41Å; W657-W667 AromaticContact CD1-CD1 3.97Å; W657-W667 AromaticContact CD1-NE1 3.41Å; W657-W667 AromaticContact CD2-CD1 3.69Å; W657-W667 AromaticContact CD2-NE1 3.89Å; W657-W667 AromaticContact CE2-CD1 3.72Å; W657-W667 AromaticContact CE2-NE1 3.62Å; W657-W667 AromaticContact CG-CD1 3.9Å; W657-W667 AromaticContact CG-NE1 3.8Å; W657-W667 AromaticContact NE1-CD1 3.85Å; W657-W667 AromaticContact NE1-NE1 3.26Å; E663-W667 WeakPolarHBondContact O-CB 3.35Å; E663-W667 PolarHBondContact O-N 3.43Å; V664-W667 PolarHBondContact O-N 3.47Å; K665-W667 VanDerWaalsContact C-N 3.31Å; K665-W667 PolarHBondContact O-N 2.88Å; W667-M670 HydrophobicContact CD2-CE 3.79Å; W667-M670 HydrophobicContact CE3-CE 3.58Å; W667-M670 HydrophobicContact CE3-SD 4.35Å; W667-M670 HydrophobicContact CH2-CE 3.95Å; W667-M670 HydrophobicContact CZ2-CE 4.14Å; W667-M670 HydrophobicContact CZ3-CE 3.67Å; W667-M670 HydrophobicContact CZ3-SD 4.32Å; W667-M670 PolarHBondContact O-N 2.94Å; W667-I671 HydrophobicContact CG-CD1 4.47Å; W667-I671 WeakPolarHBondContact O-CG1 3.32Å; W667-I671 PolarHBondContact O-N 3.43Å; W667-I671 VanDerWaalsContact O-N 3.15Å
668	K	96	Very high	93.1	Very high	132 Å²	132	67 Å²	67	57%	0.574	35%	0.353	S	S	*	.	H	α-helix	trans	-66.2	-43.7	175.8	-174.9	176.7	179.8	178.1	0	112.1	W657 V664 K665 M670 I671 A672	W657-K668 HydrophobicContact CZ3-CB 4.25Å; W657-K668 HydrophobicContact CZ3-CG 4.36Å; V664-K668 VanDerWaalsContact O-CB 3.25Å; V664-K668 WeakPolarHBondContact O-CB 3.49Å; V664-K668 PolarHBondContact O-N 3.27Å; K665-K668 PolarHBondContact O-N 3.43Å; K668-M670 VanDerWaalsContact C-N 3.35Å; K668-M670 PolarHBondContact O-N 3.45Å; K668-I671 PolarHBondContact O-N 3.46Å; K668-A672 VanDerWaalsContact O-CB 3.23Å; K668-A672 WeakPolarHBondContact O-CB 3.42Å; K668-A672 PolarHBondContact O-N 2.86Å
669	D	96.4	Very high	93.5	Very high	31 Å²	31	60.4 Å²	60.4	17%	0.166	34%	0.336	C	S	.	.	H	α-helix	trans	-63.3	-38.3	176.4	-91.1	-51.5	0	0	0	111.8	K665 H666 R673 V678	K665-D669 WeakPolarHBondContact CE-OD2 3.38Å; K665-D669 WeakPolarHBondContact O-CB 3.36Å; K665-D669 PolarHBondContact O-N 3.27Å; H666-D669 PolarHBondContact O-N 3.37Å; D669-R673 WeakPolarHBondContact O-CB 3.47Å; D669-R673 VanDerWaalsContact O-CG 3.29Å; D669-R673 WeakPolarHBondContact O-CG 3.33Å; D669-R673 PolarHBondContact O-N 3.34Å; D669-R673 IonicContact OD1-CZ 3.17Å; D669-R673 IonicContact OD1-NE 3.19Å; D669-R673 PolarHBondContact OD1-NE 2.92Å; D669-R673 VanDerWaalsContact OD1-NE 3.13Å; D669-R673 IonicContact OD1-NH2 2.63Å; D669-R673 PolarHBondContact OD1-NH2 3.47Å; D669-V678 HydrophobicContact CB-CG1 4.06Å; D669-V678 HydrophobicContact CB-CG2 4.37Å
670	M	97.6	Very high	93.7	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-60.4	-45.5	173	175.1	-162.6	69.7	0	0	112.1	L557 I566 H666 W667 K668 R673	L557-M670 HydrophobicContact CB-CB 4.03Å; L557-M670 HydrophobicContact CB-CG 3.78Å; L557-M670 HydrophobicContact CB-SD 3.59Å; L557-M670 VanDerWaalsContact CB-SD 3.59Å; L557-M670 HydrophobicContact CD1-CB 4.42Å; L557-M670 HydrophobicContact CD1-SD 3.97Å; L557-M670 HydrophobicContact CG-SD 4.28Å; I566-M670 HydrophobicContact CD1-CE 3.69Å; I566-M670 HydrophobicContact CD1-SD 3.88Å; I566-M670 HydrophobicContact CG1-CE 4.5Å; I566-M670 HydrophobicContact CG1-SD 4.24Å; I566-M670 HydrophobicContact CG2-SD 3.81Å; H666-M670 WeakPolarHBondContact O-CB 3.4Å; H666-M670 PolarHBondContact O-N 3.43Å; W667-M670 HydrophobicContact CD2-CE 3.79Å; W667-M670 HydrophobicContact CE3-CE 3.58Å; W667-M670 HydrophobicContact CE3-SD 4.35Å; W667-M670 HydrophobicContact CH2-CE 3.95Å; W667-M670 HydrophobicContact CZ2-CE 4.14Å; W667-M670 HydrophobicContact CZ3-CE 3.67Å; W667-M670 HydrophobicContact CZ3-SD 4.32Å; W667-M670 PolarHBondContact O-N 2.94Å; K668-M670 VanDerWaalsContact C-N 3.35Å; K668-M670 PolarHBondContact O-N 3.45Å; M670-R673 CarbonylContact O-C 3.43Å
671	I	95.3	Very high	94.6	Very high	40 Å²	40	63.5 Å²	63.5	21%	0.205	34%	0.339	C	S	.	.	H	α-helix	trans	-76.6	-35.5	-176.1	-66.1	173.4	0	0	0	111.3	L629 W657 W667 K668 R673	L629-I671 HydrophobicContact CD1-CD1 4.17Å; L629-I671 HydrophobicContact CD2-CD1 3.95Å; L629-I671 HydrophobicContact CD2-CG1 4.21Å; L629-I671 HydrophobicContact CG-CD1 4Å; W657-I671 HydrophobicContact CH2-CD1 4.23Å; W657-I671 HydrophobicContact CZ2-CD1 3.41Å; W657-I671 VanDerWaalsContact CZ2-CD1 3.41Å; W657-I671 HydrophobicContact CZ2-CG2 4.41Å; W667-I671 HydrophobicContact CG-CD1 4.47Å; W667-I671 WeakPolarHBondContact O-CG1 3.32Å; W667-I671 PolarHBondContact O-N 3.43Å; W667-I671 VanDerWaalsContact O-N 3.15Å; K668-I671 PolarHBondContact O-N 3.46Å; I671-R673 PolarHBondContact O-N 2.97Å
672	A	96.4	Very high	95.2	Very high	73 Å²	73	58.2 Å²	58.2	60%	0.603	30%	0.304	S	S	*	.	H	α-helix	trans	-71.8	-16.3	176.1	0	0	0	0	0	113.7	K668 P674	K668-A672 VanDerWaalsContact O-CB 3.23Å; K668-A672 WeakPolarHBondContact O-CB 3.42Å; K668-A672 PolarHBondContact O-N 2.86Å; A672-P674 VanDerWaalsContact C-CD 3.45Å; A672-P674 WeakPolarHBondContact O-CD 3.34Å
673	R	95.8	Very high	95.7	Very high	115 Å²	115	60.9 Å²	60.9	43%	0.434	31%	0.308	S	S	.	.	S	Bend	trans	-125.5	62.7	-178.3	-52.1	178.8	-155.4	-136.2	5	110.9	D669 M670 I671 R675 Q676 V678	D669-R673 WeakPolarHBondContact O-CB 3.47Å; D669-R673 VanDerWaalsContact O-CG 3.29Å; D669-R673 WeakPolarHBondContact O-CG 3.33Å; D669-R673 PolarHBondContact O-N 3.34Å; D669-R673 IonicContact OD1-CZ 3.17Å; D669-R673 IonicContact OD1-NE 3.19Å; D669-R673 PolarHBondContact OD1-NE 2.92Å; D669-R673 VanDerWaalsContact OD1-NE 3.13Å; D669-R673 IonicContact OD1-NH2 2.63Å; D669-R673 PolarHBondContact OD1-NH2 3.47Å; M670-R673 CarbonylContact O-C 3.43Å; I671-R673 PolarHBondContact O-N 2.97Å; R673-R675 PolarHBondContact O-N 2.94Å; R673-Q676 HydrophobicContact CB-CB 4.04Å; R673-Q676 WeakPolarHBondContact O-CB 3.36Å; R673-Q676 PolarHBondContact O-N 3.25Å; R673-V678 HydrophobicContact CB-CG2 4.5Å
674	P	94.6	Very high	95.8	Very high	69 Å²	69	60.8 Å²	60.8	45%	0.448	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	141.8	-176.4	26.1	-35.2	0	0	0	111.4	Y559 P561 A672 Q676	Y559-P674 CarbonylContact O-C 3.52Å; Y559-P674 WeakPolarHBondContact O-CA 3.32Å; P561-P674 HydrophobicContact CG-CB 4.05Å; A672-P674 VanDerWaalsContact C-CD 3.45Å; A672-P674 WeakPolarHBondContact O-CD 3.34Å; P674-Q676 PolarHBondContact O-N 3.13Å; P674-Q676 VanDerWaalsContact O-N 3.15Å
675	R	95.8	Very high	95.4	Very high	162 Å²	162	63.1 Å²	63.1	61%	0.611	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	0.1	-173.6	-48.2	179.3	-172.2	151.8	2.1	115.6	Y559 N560 S562 R673	Y559-R675 PolarHBondContact O-N 2.71Å; N560-R675 HydrophobicContact CB-CG 4.33Å; N560-R675 PolarHBondContact OD1-NE 3.2Å; S562-R675 PolarHBondContact OG-NH2 3.31Å; R673-R675 PolarHBondContact O-N 2.94Å
676	Q	96.9	Very high	94.5	Very high	105 Å²	105	60.6 Å²	60.6	49%	0.491	32%	0.317	S	S	.	.	S	Bend	trans	-97.5	124.9	172.4	-167.7	176.1	31.5	0	0	110.4	R673 P674 V678	R673-Q676 HydrophobicContact CB-CB 4.04Å; R673-Q676 WeakPolarHBondContact O-CB 3.36Å; R673-Q676 PolarHBondContact O-N 3.25Å; P674-Q676 PolarHBondContact O-N 3.13Å; P674-Q676 VanDerWaalsContact O-N 3.15Å; Q676-V678 PolarHBondContact O-N 3.03Å
677	P	96.7	Very high	94.4	Very high	83 Å²	83	63.7 Å²	63.7	54%	0.539	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-72.8	117.3	174.1	28.5	-32.7	0	0	0	110.7	L557 C558	L557-P677 WeakPolarHBondContact O-CA 3.45Å; C558-P677 HydrophobicContact CB-CB 4.12Å
678	V	97.8	Very high	94.2	Very high	22 Å²	22	67 Å²	67	13%	0.133	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	122.3	173.2	-176.6	0	0	0	0	108.6	S556 L557 H666 D669 R673 Q676	S556-V678 CarbonylContact C-O 3.51Å; S556-V678 WeakPolarHBondContact CA-O 3.37Å; S556-V678 WeakPolarHBondContact CB-O 3.34Å; L557-V678 PolarHBondContact N-O 2.79Å; L557-V678 PolarHBondContact O-N 2.96Å; H666-V678 VanDerWaalsContact NE2-CB 3.34Å; H666-V678 WeakPolarHBondContact NE2-CB 3.37Å; H666-V678 WeakPolarHBondContact NE2-CG1 3.4Å; H666-V678 CovalentContact NE2-O 1.8Å; H666-V678 PolarHBondContact NE2-O 2.9Å; D669-V678 HydrophobicContact CB-CG1 4.06Å; D669-V678 HydrophobicContact CB-CG2 4.37Å; R673-V678 HydrophobicContact CB-CG2 4.5Å; Q676-V678 PolarHBondContact O-N 3.03Å
679	A	97.6	Very high	94.1	Very high	63 Å²	63	63.4 Å²	63.4	52%	0.521	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	135	177.1	0	0	0	0	0	111.5	L554 L555 H666	L554-A679 HydrophobicContact CD1-CB 4.5Å; L555-A679 WeakPolarHBondContact O-CA 3.43Å; H666-A679 PolarHBondContact NE2-N 2.76Å
680	Q	96.2	Very high	94	Very high	38 Å²	38	65.3 Å²	65.3	18%	0.178	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	146.2	178.8	-154.6	-174.7	-89.5	0	0	111.6	L555 G662 H666 H682	L555-Q680 PolarHBondContact N-O 2.96Å; L555-Q680 PolarHBondContact O-N 3.23Å; G662-Q680 PolarHBondContact O-NE2 2.9Å; H666-Q680 HydrophobicContact CB-CB 4.42Å; Q680-H682 PolarHBondContact NE2-CE1 3.41Å
681	W	96.7	Very high	93.8	Very high	73 Å²	73	69.4 Å²	69.4	28%	0.277	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	143.7	164.9	-73	100.8	0	0	0	110.5	E552 L553 L554 K572 R574	E552-W681 HydrophobicContact CB-CE3 3.64Å; E552-W681 HydrophobicContact CB-CZ3 4.08Å; L553-W681 WeakPolarHBondContact O-CA 3.35Å; L554-W681 HydrophobicContact CB-CD2 3.75Å; L554-W681 HydrophobicContact CB-CE3 3.65Å; L554-W681 HydrophobicContact CB-CG 4.49Å; L554-W681 HydrophobicContact CB-CH2 3.84Å; L554-W681 HydrophobicContact CB-CZ2 3.92Å; L554-W681 HydrophobicContact CB-CZ3 3.69Å; L554-W681 HydrophobicContact CD1-CD2 4.24Å; L554-W681 HydrophobicContact CD1-CG 4.18Å; L554-W681 HydrophobicContact CD2-CZ2 4.08Å; L554-W681 HydrophobicContact CG-CD2 4.46Å; L554-W681 VanDerWaalsContact N-CE3 3.32Å; K572-W681 HydrophobicContact CG-CH2 4.07Å; R574-W681 HydrophobicContact CB-CH2 4.09Å; R574-W681 HydrophobicContact CB-CZ3 4.25Å; R574-W681 HydrophobicContact CG-CE3 4.44Å; R574-W681 HydrophobicContact CG-CH2 3.72Å; R574-W681 HydrophobicContact CG-CZ3 3.65Å
682	H	94.8	Very high	93.7	Very high	9 Å²	9	71.3 Å²	71.3	4%	0.042	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	134.4	173.5	-66.6	-85.4	0	0	0	110.4	E552 L553 I653 H666 Q680	E552-H682 CarbonylContact C-O 3.39Å; E552-H682 VanDerWaalsContact CA-O 3.22Å; E552-H682 WeakPolarHBondContact CA-O 3.4Å; L553-H682 PolarHBondContact N-O 2.97Å; L553-H682 PolarHBondContact O-N 3.49Å; I653-H682 HydrophobicContact CD1-CB 3.59Å; I653-H682 HydrophobicContact CG1-CB 3.88Å; I653-H682 HydrophobicContact CG2-CB 4.04Å; H666-H682 AromaticContact CG-NE2 3.67Å; H666-H682 AromaticContact ND1-CD2 3.96Å; H666-H682 AromaticContact ND1-CE1 3.64Å; H666-H682 AromaticContact ND1-NE2 2.86Å; H666-H682 PolarHBondContact ND1-NE2 3.31Å; Q680-H682 PolarHBondContact NE2-CE1 3.41Å
683	Q	90.4	Very high	93.5	Very high	90 Å²	90	71.2 Å²	71.2	42%	0.421	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	134.2	172.4	-74.3	-80.3	-16.7	0	0	110.2	S549 E552	S549-Q683 PolarHBondContact OG-OE1 2.79Å; E552-Q683 VanDerWaalsContact CG-CD 3.46Å; E552-Q683 HydrophobicContact CG-CG 4.08Å; E552-Q683 PolarHBondContact OE1-NE2 3.48Å
684	L	93.7	Very high	93.3	Very high	9 Å²	9	67.8 Å²	67.8	5%	0.047	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-77.1	123.5	179.1	-65	176.4	0	0	0	110.8	R550 G551 L553 L576 V638 I650 I653	R550-L684 HydrophobicContact CB-CB 3.88Å; R550-L684 WeakPolarHBondContact CB-O 3.35Å; G551-L684 WeakPolarHBondContact O-CB 3.44Å; G551-L684 WeakPolarHBondContact O-CG 3.17Å; G551-L684 PolarHBondContact O-N 3.35Å; L553-L684 HydrophobicContact CB-CD2 4.29Å; L576-L684 HydrophobicContact CD2-CD1 3.43Å; L576-L684 VanDerWaalsContact CD2-CD1 3.43Å; V638-L684 HydrophobicContact CB-CD1 4.05Å; V638-L684 HydrophobicContact CB-CD2 4.32Å; V638-L684 HydrophobicContact CG1-CD1 4.44Å; V638-L684 HydrophobicContact CG2-CD1 3.87Å; V638-L684 HydrophobicContact CG2-CD2 3.58Å; V638-L684 HydrophobicContact CG2-CG 4.41Å; I650-L684 HydrophobicContact CG2-CD1 4.19Å; I653-L684 HydrophobicContact CD1-CD2 3.71Å; I653-L684 HydrophobicContact CG1-CD2 3.92Å
685	K	86.1	Confident	93.2	Very high	88 Å²	88	67.8 Å²	67.8	38%	0.383	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-94.1	166.1	175.9	-63.2	171.3	-174.4	169.7	0	110.3	G651 K652 E663	G651-K685 CarbonylContact C-O 3.6Å; G651-K685 WeakPolarHBondContact CA-O 3.26Å; K652-K685 PolarHBondContact N-O 2.87Å; K652-K685 PolarHBondContact O-N 3.15Å; E663-K685 WeakPolarHBondContact OE1-CE 3.46Å; E663-K685 IonicContact OE1-NZ 2.68Å; E663-K685 PolarHBondContact OE1-NZ 3.33Å; E663-K685 IonicContact OE2-NZ 3.57Å; E663-K685 PolarHBondContact OE2-NZ 3.04Å
686	A	75.8	Confident	93	Very high	71 Å²	71	59.2 Å²	59.2	59%	0.587	33%	0.329	S	S	*	.			trans	-61.5	0	-177.9	0	0	0	0	0	113.2	K652	K652-A686 PolarHBondContact NZ-O 2.67Å; K652-A686 PolarHBondContact NZ-OXT 3.16Å

Retrieved 686 of 686 residues in 136.1 ms (Link to these results)

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