A0A087X4E1_POEFO Loading...

F-box protein 40

AlphaFold DB , UniProt , Accession A0A087X4E1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 690 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	Q	30.4	Very low	41.6	Very low	252 Å²	252	159.5 Å²	159.5	100%	1.178	82%	0.818	S	S	*	*				0	91.3	0	-84.4	168.6	-24.3	0	0	109
2	A	30.6	Very low	45.2	Very low	102 Å²	102	148.8 Å²	148.8	84%	0.843	76%	0.762	S	S	*	*			trans	-98.1	103.9	170.5	0	0	0	0	0	107.6	R4	A2-R4 PolarHBondContact O-N 3.4Å
3	K	28.6	Very low	48.3	Very low	202 Å²	202	147 Å²	147	88%	0.878	76%	0.755	S	S	*	*			trans	-66.2	100.9	176.8	-86	178.7	174.6	175.6	0	108.5	T5	K3-T5 VanDerWaalsContact C-N 3.33Å; K3-T5 PolarHBondContact O-N 2.99Å
4	R	33.6	Very low	51.3	Low	247 Å²	247	140.9 Å²	140.9	93%	0.932	72%	0.721	S	S	*	*			trans	-60.8	98.3	155.8	-90.2	177.6	162.9	174.6	-5.3	107.4	A2 K6	A2-R4 PolarHBondContact O-N 3.4Å; R4-K6 PolarHBondContact O-N 3.38Å
5	T	32.7	Very low	53.9	Low	125 Å²	125	131.5 Å²	131.5	77%	0.767	67%	0.673	S	S	*	*			trans	-66.7	101.9	169.1	-9.4	0	0	0	0	107.5	K3 M7	K3-T5 VanDerWaalsContact C-N 3.33Å; K3-T5 PolarHBondContact O-N 2.99Å; T5-M7 VanDerWaalsContact C-N 3.3Å; T5-M7 PolarHBondContact O-N 2.83Å
6	K	40	Very low	56.1	Low	208 Å²	208	128.4 Å²	128.4	90%	0.904	66%	0.658	S	S	*	*			trans	-59.8	97.2	159.7	-88.1	-179.7	171.8	177.9	0	106.6	R4	R4-K6 PolarHBondContact O-N 3.38Å
7	M	40.8	Very low	58	Low	141 Å²	141	129.7 Å²	129.7	70%	0.695	66%	0.658	S	S	*	*			trans	-69.2	134.2	165.4	-67	-155.9	100.5	0	0	108.1	T5 L29	T5-M7 VanDerWaalsContact C-N 3.3Å; T5-M7 PolarHBondContact O-N 2.83Å; M7-L29 HydrophobicContact CE-CD2 3.49Å; M7-L29 VanDerWaalsContact CE-CD2 3.49Å
8	A	42	Very low	59.8	Low	95 Å²	95	123.3 Å²	123.3	79%	0.785	63%	0.627	S	S	*	*			trans	-57.2	138.7	-174.4	0	0	0	0	0	111.5	G10	A8-G10 VanDerWaalsContact C-N 3.28Å; A8-G10 PolarHBondContact O-N 3.26Å
9	K	53.3	Low	61.4	Low	220 Å²	220	127.4 Å²	127.4	96%	0.957	64%	0.636	S	S	*	*			trans	-61.4	89.9	163.3	-83	-179.3	169.3	-174.9	0	108.3
10	G	57.1	Low	62.7	Low	44 Å²	44	124.2 Å²	124.2	45%	0.454	63%	0.626	S	S	.	*			trans	-140.6	108.7	173.6	0	0	0	0	0	108.1	A8 H12	A8-G10 VanDerWaalsContact C-N 3.28Å; A8-G10 PolarHBondContact O-N 3.26Å; G10-H12 PolarHBondContact O-N 2.95Å
11	I	68.4	Low	63.9	Low	118 Å²	118	123.1 Å²	123.1	61%	0.605	63%	0.625	S	S	*	*			trans	-58.9	118.5	169.7	-63.6	167.2	0	0	0	106	D16	I11-D16 HydrophobicContact CG2-CB 3.57Å
12	H	84.9	Confident	66.6	Low	32 Å²	32	115.5 Å²	115.5	15%	0.148	60%	0.6	C	S	.	*			trans	-69.9	137.2	177.4	-45.6	104	0	0	0	109.9	G10 H14 C15 D16 I31 C33	G10-H12 PolarHBondContact O-N 2.95Å; H12-H14 VanDerWaalsContact C-N 3.27Å; H12-H14 PolarHBondContact O-N 3.48Å; H12-C15 HydrophobicContact CB-CB 4Å; H12-C15 PolarHBondContact O-N 3.28Å; H12-D16 PolarHBondContact O-N 3.08Å; H12-I31 WeakPolarHBondContact CB-O 3.49Å; H12-C33 WeakPolarHBondContact CE1-CB 3.32Å
13	D	86	Confident	69.4	Low	125 Å²	125	111.8 Å²	111.8	67%	0.668	57%	0.568	S	S	*	*	H	α-helix	trans	-54.1	-39.1	-175.3	-84.4	-12.5	0	0	0	113.7
14	H	89.8	Confident	72.3	Confident	61 Å²	61	111.3 Å²	111.3	28%	0.282	57%	0.568	S	S	.	*	H	α-helix	trans	-72	-47.6	174.8	169.2	82.4	0	0	0	111.2	H12 D16 K17 C18 C23 A25 I31 H47	H12-H14 VanDerWaalsContact C-N 3.27Å; H12-H14 PolarHBondContact O-N 3.48Å; H14-D16 VanDerWaalsContact C-N 3.28Å; H14-D16 PolarHBondContact O-N 2.97Å; H14-K17 CarbonylContact O-C 3.57Å; H14-K17 PolarHBondContact O-N 3.11Å; H14-K17 VanDerWaalsContact O-N 3.16Å; H14-C18 WeakPolarHBondContact NE2-CB 3.42Å; H14-C18 PolarHBondContact NE2-SG 2.96Å; H14-C18 VanDerWaalsContact NE2-SG 3.43Å; H14-C18 VanDerWaalsContact O-CB 3.25Å; H14-C18 WeakPolarHBondContact O-CB 3.47Å; H14-C18 PolarHBondContact O-N 2.89Å; H14-C23 PolarHBondContact NE2-SG 2.87Å; H14-A25 WeakPolarHBondContact NE2-CB 3.5Å; H14-I31 HydrophobicContact CB-CG2 4.24Å; H14-I31 WeakPolarHBondContact CB-O 3.44Å; H14-I31 PolarHBondContact N-O 3.39Å; H14-I31 VanDerWaalsContact N-O 3.15Å; H14-H47 AromaticContact CD2-CE1 3.9Å; H14-H47 AromaticContact CD2-NE2 3.64Å; H14-H47 AromaticContact NE2-CE1 3.9Å; H14-H47 AromaticContact NE2-NE2 3.43Å; H14-H47 PolarHBondContact NE2-NE2 3.39Å
15	C	90.4	Very high	74.8	Confident	0 Å²	0	100.9 Å²	100.9	0%	0	54%	0.535	C	S	.	.	H	α-helix	trans	-59.7	-41.1	-173.5	-66.4	0	0	0	0	111.2	H12 K17 C18 C33 H47 C49 K50	H12-C15 HydrophobicContact CB-CB 4Å; H12-C15 PolarHBondContact O-N 3.28Å; C15-K17 PolarHBondContact O-N 2.82Å; C15-C18 PolarHBondContact O-N 3.39Å; C15-C18 VanDerWaalsContact O-N 3.08Å; C15-C33 PolarHBondContact SG-N 3.36Å; C15-H47 HydrophobicContact CB-CB 4.16Å; C15-H47 PolarHBondContact SG-ND1 3.11Å; C15-C49 WeakPolarHBondContact CB-SG 2.95Å; C15-K50 WeakPolarHBondContact O-CE 3.39Å; C15-K50 PolarHBondContact O-NZ 3.15Å
16	D	88.3	Confident	77.3	Confident	82 Å²	82	100.1 Å²	100.1	44%	0.439	53%	0.532	S	S	.	.	H	α-helix	trans	-49.3	-47.6	177.1	-163.6	39	0	0	0	111.8	I11 H12 H14 K50	I11-D16 HydrophobicContact CG2-CB 3.57Å; H12-D16 PolarHBondContact O-N 3.08Å; H14-D16 VanDerWaalsContact C-N 3.28Å; H14-D16 PolarHBondContact O-N 2.97Å; D16-K50 PolarHBondContact O-NZ 3.48Å
17	K	89.6	Confident	79.4	Confident	151 Å²	151	95.3 Å²	95.3	66%	0.657	52%	0.52	S	S	*	.	H	α-helix	trans	-92.1	-2	-176.2	-60.2	170.1	-173.1	169.8	0	113.8	H14 C15 Y19	H14-K17 CarbonylContact O-C 3.57Å; H14-K17 PolarHBondContact O-N 3.11Å; H14-K17 VanDerWaalsContact O-N 3.16Å; C15-K17 PolarHBondContact O-N 2.82Å; K17-Y19 VanDerWaalsContact O-CD2 3.26Å; K17-Y19 WeakPolarHBondContact O-CD2 3.46Å; K17-Y19 VanDerWaalsContact O-CE2 3.29Å; K17-Y19 WeakPolarHBondContact O-CE2 3.48Å
18	C	89.5	Confident	81.4	Confident	14 Å²	14	92 Å²	92	10%	0.095	51%	0.506	C	S	.	.			trans	-89.8	116.6	-176.1	-176	0	0	0	0	111.7	H14 C15 H47 K50	H14-C18 WeakPolarHBondContact NE2-CB 3.42Å; H14-C18 PolarHBondContact NE2-SG 2.96Å; H14-C18 VanDerWaalsContact NE2-SG 3.43Å; H14-C18 VanDerWaalsContact O-CB 3.25Å; H14-C18 WeakPolarHBondContact O-CB 3.47Å; H14-C18 PolarHBondContact O-N 2.89Å; C15-C18 PolarHBondContact O-N 3.39Å; C15-C18 VanDerWaalsContact O-N 3.08Å; C18-H47 PolarHBondContact SG-NE2 3.35Å; C18-K50 PolarHBondContact O-NZ 3.24Å
19	Y	89.8	Confident	82.9	Confident	202 Å²	202	94.3 Å²	94.3	79%	0.792	50%	0.504	S	S	*	.			trans	-110.6	5	174.1	-50.9	-80.6	0	0	0	112.6	K17	K17-Y19 VanDerWaalsContact O-CD2 3.26Å; K17-Y19 WeakPolarHBondContact O-CD2 3.46Å; K17-Y19 VanDerWaalsContact O-CE2 3.29Å; K17-Y19 WeakPolarHBondContact O-CE2 3.48Å
20	S	89.1	Confident	84	Confident	62 Å²	62	87.8 Å²	87.8	43%	0.434	49%	0.486	S	S	.	.			trans	-82.1	123.9	-177	-177.7	0	0	0	0	112.3	S22	S20-S22 VanDerWaalsContact C-N 3.26Å; S20-S22 PolarHBondContact O-N 3.07Å
21	V	86.2	Confident	85.2	Confident	102 Å²	102	90 Å²	90	62%	0.618	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-29.5	178.4	175.3	0	0	0	0	111.9	T45	V21-T45 WeakPolarHBondContact CG1-OG1 3.5Å; V21-T45 PolarHBondContact O-OG1 3.19Å
22	S	87.6	Confident	86.2	Confident	93 Å²	93	84.4 Å²	84.4	65%	0.65	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.1	41.1	-177.7	61.9	0	0	0	0	111.7	S20 Q24	S20-S22 VanDerWaalsContact C-N 3.26Å; S20-S22 PolarHBondContact O-N 3.07Å; S22-Q24 PolarHBondContact O-N 3.27Å
23	C	90.3	Very high	86.4	Confident	24 Å²	24	83.3 Å²	83.3	16%	0.162	45%	0.453	C	S	.	.			trans	-59.1	130.1	179.3	-175.1	0	0	0	0	111.7	H14 A25 V35	H14-C23 PolarHBondContact NE2-SG 2.87Å; C23-A25 WeakPolarHBondContact SG-CB 3.24Å; C23-A25 PolarHBondContact SG-N 3.43Å; C23-V35 HydrophobicContact CB-CG2 4.04Å
24	Q	88.6	Confident	86.7	Confident	191 Å²	191	80.7 Å²	80.7	89%	0.893	44%	0.442	S	S	*	.			trans	-107.4	16.9	176.1	-60.6	-170	1.5	0	0	112.8	S22	S22-Q24 PolarHBondContact O-N 3.27Å
25	A	86.1	Confident	86.8	Confident	29 Å²	29	80 Å²	80	24%	0.24	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-59.5	137.5	178.3	0	0	0	0	0	110.7	H14 C23 V27	H14-A25 WeakPolarHBondContact NE2-CB 3.5Å; C23-A25 WeakPolarHBondContact SG-CB 3.24Å; C23-A25 PolarHBondContact SG-N 3.43Å; A25-V27 PolarHBondContact O-N 2.92Å
26	P	85	Confident	86.9	Confident	108 Å²	108	81.7 Å²	81.7	70%	0.701	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-67.9	134.3	-178.4	27.1	-33.5	0	0	0	110.7	N28 S32	P26-N28 PolarHBondContact O-N 3.5Å; P26-S32 PolarHBondContact O-OG 3.19Å
27	V	85.2	Confident	87.1	Confident	107 Å²	107	85.6 Å²	85.6	65%	0.648	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-66.1	116.7	178.6	-179.3	0	0	0	0	109.3	A25 S32 V34	A25-V27 PolarHBondContact O-N 2.92Å; V27-S32 WeakPolarHBondContact CA-O 3.26Å; V27-V34 HydrophobicContact CG2-CB 4.3Å
28	N	82.5	Confident	87.4	Confident	73 Å²	73	78.6 Å²	78.6	39%	0.39	43%	0.434	S	S	.	.	B	Isolated β-bridge	trans	-142.8	131.4	178.7	-177.5	-35.3	0	0	0	108.9	P26 S30 I31 S32	P26-N28 PolarHBondContact O-N 3.5Å; N28-S30 PolarHBondContact O-N 2.83Å; N28-S30 PolarHBondContact OD1-N 3.21Å; N28-I31 HydrophobicContact CB-CB 4.12Å; N28-I31 HydrophobicContact CB-CD1 4.46Å; N28-I31 HydrophobicContact CB-CG1 4.41Å; N28-I31 PolarHBondContact O-N 3.08Å; N28-S32 CarbonylContact C-O 3.54Å; N28-S32 PolarHBondContact N-O 2.96Å; N28-S32 PolarHBondContact O-N 3.03Å; N28-S32 VanDerWaalsContact O-N 3.08Å
29	L	73.3	Confident	87.5	Confident	143 Å²	143	84.4 Å²	84.4	75%	0.749	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.5	-25.9	-171.6	-77.6	155.5	0	0	0	115.4	M7	M7-L29 HydrophobicContact CE-CD2 3.49Å; M7-L29 VanDerWaalsContact CE-CD2 3.49Å
30	S	76.9	Confident	87.7	Confident	83 Å²	83	79.6 Å²	79.6	58%	0.58	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.3	-15.3	178.3	47.9	0	0	0	0	114.8	N28	N28-S30 PolarHBondContact O-N 2.83Å; N28-S30 PolarHBondContact OD1-N 3.21Å
31	I	82.9	Confident	87.9	Confident	89 Å²	89	83.3 Å²	83.3	46%	0.456	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-48.7	-171	-53.6	174.6	0	0	0	111.9	H12 H14 N28	H12-I31 WeakPolarHBondContact CB-O 3.49Å; H14-I31 HydrophobicContact CB-CG2 4.24Å; H14-I31 WeakPolarHBondContact CB-O 3.44Å; H14-I31 PolarHBondContact N-O 3.39Å; H14-I31 VanDerWaalsContact N-O 3.15Å; N28-I31 HydrophobicContact CB-CB 4.12Å; N28-I31 HydrophobicContact CB-CD1 4.46Å; N28-I31 HydrophobicContact CB-CG1 4.41Å; N28-I31 PolarHBondContact O-N 3.08Å
32	S	88.4	Confident	88.2	Confident	1 Å²	1	80.2 Å²	80.2	1%	0.007	44%	0.44	C	S	.	.	B	Isolated β-bridge	trans	-155.6	151.3	-179.2	94.4	0	0	0	0	112.8	P26 V27 N28	P26-S32 PolarHBondContact O-OG 3.19Å; V27-S32 WeakPolarHBondContact CA-O 3.26Å; N28-S32 CarbonylContact C-O 3.54Å; N28-S32 PolarHBondContact N-O 2.96Å; N28-S32 PolarHBondContact O-N 3.03Å; N28-S32 VanDerWaalsContact O-N 3.08Å
33	C	90	Very high	88.5	Confident	9 Å²	9	79.2 Å²	79.2	6%	0.061	44%	0.444	C	S	.	.			trans	-114.3	171.8	175.4	63.3	0	0	0	0	113.2	H12 C15 H47 M48 C49	H12-C33 WeakPolarHBondContact CE1-CB 3.32Å; C15-C33 PolarHBondContact SG-N 3.36Å; C33-H47 PolarHBondContact O-CE1 3.43Å; C33-H47 PolarHBondContact O-ND1 3.34Å; C33-M48 PolarHBondContact SG-N 2.83Å; C33-M48 VanDerWaalsContact SG-N 3.43Å; C33-C49 PolarHBondContact SG-N 2.78Å; C33-C49 VanDerWaalsContact SG-N 3.35Å
34	V	91.1	Very high	88.6	Confident	70 Å²	70	79.6 Å²	79.6	42%	0.424	45%	0.449	S	S	.	.			trans	-59.4	139.7	179.6	64.9	0	0	0	0	112.1	V27 I36 M48	V27-V34 HydrophobicContact CG2-CB 4.3Å; V34-I36 HydrophobicContact CG1-CG2 4.06Å; V34-M48 HydrophobicContact CG1-CB 4.13Å; V34-M48 HydrophobicContact CG1-CE 4.36Å; V34-M48 HydrophobicContact CG1-SD 4.18Å; V34-M48 PolarHBondContact O-N 3.46Å
35	V	91.6	Very high	88.9	Confident	47 Å²	47	72 Å²	72	29%	0.285	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	125.4	170.2	-179.9	0	0	0	0	108.7	C23 F46	C23-V35 HydrophobicContact CB-CG2 4.04Å; V35-F46 WeakPolarHBondContact CA-O 3.44Å
36	I	92.5	Very high	89.2	Confident	36 Å²	36	71.7 Å²	71.7	19%	0.185	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	159.5	177.3	62.3	168.4	0	0	0	110.2	V34 T45 F46 M48	V34-I36 HydrophobicContact CG1-CG2 4.06Å; I36-T45 VanDerWaalsContact O-CA 3.3Å; I36-T45 WeakPolarHBondContact O-CA 3.5Å; I36-F46 HydrophobicContact CD1-CE2 3.98Å; I36-F46 HydrophobicContact CG1-CD2 4.18Å; I36-F46 HydrophobicContact CG1-CE2 3.96Å; I36-F46 WeakPolarHBondContact CG1-O 3.4Å; I36-F46 PolarHBondContact N-O 3.17Å; I36-F46 PolarHBondContact O-N 3.43Å; I36-M48 HydrophobicContact CD1-CB 4.19Å; I36-M48 HydrophobicContact CD1-CG 4.17Å; I36-M48 HydrophobicContact CG1-CB 4.37Å; I36-M48 HydrophobicContact CG2-CB 4.21Å
37	K	94	Very high	89.6	Confident	164 Å²	164	66.7 Å²	66.7	71%	0.713	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	149.9	166.1	-73.3	173.4	-179.2	-177.2	0	109.1	H39 T45	K37-H39 PolarHBondContact O-N 3.02Å; K37-T45 HydrophobicContact CG-CG2 3.59Å
38	C	94.5	Very high	89.9	Confident	3 Å²	3	66.2 Å²	66.2	2%	0.02	37%	0.368	C	S	.	.			trans	-56	128.4	172.8	-179.1	0	0	0	0	111.4	K40 N41 C42 A44 F46 H54	C38-K40 PolarHBondContact O-N 3.22Å; C38-K40 VanDerWaalsContact O-N 3.08Å; C38-K40 PolarHBondContact SG-N 3.2Å; C38-K40 VanDerWaalsContact SG-N 3.37Å; C38-N41 PolarHBondContact O-N 3.16Å; C38-N41 PolarHBondContact O-OD1 2.89Å; C38-C42 WeakPolarHBondContact CB-SG 3.44Å; C38-C42 PolarHBondContact SG-SG 3.4Å; C38-A44 PolarHBondContact N-O 3Å; C38-F46 HydrophobicContact CB-CE1 3.91Å; C38-F46 HydrophobicContact CB-CZ 4.12Å; C38-H54 PolarHBondContact SG-NE2 2.74Å
39	H	93	Very high	90.2	Very high	136 Å²	136	65.3 Å²	65.3	63%	0.63	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-17.1	176.6	-59.9	91	0	0	0	114.3	K37 Q51	K37-H39 PolarHBondContact O-N 3.02Å; H39-Q51 PolarHBondContact ND1-OE1 3.25Å
40	K	92.4	Very high	91.1	Very high	102 Å²	102	60 Å²	60	44%	0.443	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	11.6	177	-57.9	-66	-172.6	175.3	0	112.8	C38 C42 N60	C38-K40 PolarHBondContact O-N 3.22Å; C38-K40 VanDerWaalsContact O-N 3.08Å; C38-K40 PolarHBondContact SG-N 3.2Å; C38-K40 VanDerWaalsContact SG-N 3.37Å; K40-C42 PolarHBondContact O-N 2.92Å; K40-C42 VanDerWaalsContact O-N 3.11Å; K40-N60 HydrophobicContact CB-CB 3.8Å; K40-N60 PolarHBondContact O-ND2 3.42Å
41	N	93.2	Very high	91.7	Very high	140 Å²	140	57.4 Å²	57.4	75%	0.749	32%	0.316	S	S	*	.			trans	49.8	38.4	177	-61.9	5.9	0	0	0	113.8	C38 G43	C38-N41 PolarHBondContact O-N 3.16Å; C38-N41 PolarHBondContact O-OD1 2.89Å; N41-G43 PolarHBondContact O-N 3.29Å
42	C	93.7	Very high	92.1	Very high	36 Å²	36	60.1 Å²	60.1	24%	0.243	33%	0.327	C	S	.	.	S	Bend	trans	-75.7	0.1	177.4	70	0	0	0	0	113.9	C38 K40 H54 N60	C38-C42 WeakPolarHBondContact CB-SG 3.44Å; C38-C42 PolarHBondContact SG-SG 3.4Å; K40-C42 PolarHBondContact O-N 2.92Å; K40-C42 VanDerWaalsContact O-N 3.11Å; C42-H54 PolarHBondContact SG-CE1 3.03Å; C42-H54 PolarHBondContact SG-NE2 3.46Å; C42-N60 WeakPolarHBondContact CA-ND2 3.4Å; C42-N60 HydrophobicContact CB-CB 4.3Å
43	G	92.9	Very high	92.3	Very high	73 Å²	73	65.2 Å²	65.2	75%	0.753	35%	0.351	S	S	*	.	S	Bend	trans	90.6	-10.2	-177.8	0	0	0	0	0	115	N41	N41-G43 PolarHBondContact O-N 3.29Å
44	A	93.4	Very high	92.5	Very high	31 Å²	31	66 Å²	66	26%	0.256	35%	0.354	S	S	.	.			trans	-78.1	140.9	178.7	0	0	0	0	0	113	C38 F46 H54	C38-A44 PolarHBondContact N-O 3Å; A44-F46 HydrophobicContact CB-CD1 4.05Å; A44-F46 HydrophobicContact CB-CE1 4.02Å; A44-H54 WeakPolarHBondContact CB-CE1 3.38Å
45	T	94.3	Very high	92.6	Very high	33 Å²	33	66.3 Å²	66.3	20%	0.202	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	141.1	164.7	54.4	0	0	0	0	109.9	V21 I36 K37	V21-T45 WeakPolarHBondContact CG1-OG1 3.5Å; V21-T45 PolarHBondContact O-OG1 3.19Å; I36-T45 VanDerWaalsContact O-CA 3.3Å; I36-T45 WeakPolarHBondContact O-CA 3.5Å; K37-T45 HydrophobicContact CG-CG2 3.59Å
46	F	92.8	Very high	92.7	Very high	21 Å²	21	70 Å²	70	9%	0.092	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	163.2	-177.9	44.2	-94.2	0	0	0	110.1	V35 I36 C38 A44 K50 Q51 H54	V35-F46 WeakPolarHBondContact CA-O 3.44Å; I36-F46 HydrophobicContact CD1-CE2 3.98Å; I36-F46 HydrophobicContact CG1-CD2 4.18Å; I36-F46 HydrophobicContact CG1-CE2 3.96Å; I36-F46 WeakPolarHBondContact CG1-O 3.4Å; I36-F46 PolarHBondContact N-O 3.17Å; I36-F46 PolarHBondContact O-N 3.43Å; C38-F46 HydrophobicContact CB-CE1 3.91Å; C38-F46 HydrophobicContact CB-CZ 4.12Å; A44-F46 HydrophobicContact CB-CD1 4.05Å; A44-F46 HydrophobicContact CB-CE1 4.02Å; F46-K50 HydrophobicContact CB-CB 4.28Å; F46-K50 HydrophobicContact CD2-CB 4.24Å; F46-Q51 HydrophobicContact CE2-CB 4.06Å; F46-Q51 VanDerWaalsContact CE2-OE1 3.24Å; F46-H54 HydrophobicContact CD1-CB 4.09Å; F46-H54 AromaticContact CD1-CG 3.78Å; F46-H54 AromaticContact CD1-ND1 3.92Å; F46-H54 HydrophobicContact CD2-CB 4.42Å; F46-H54 HydrophobicContact CE1-CB 3.75Å; F46-H54 AromaticContact CE1-CD2 3.21Å; F46-H54 WeakPolarHBondContact CE1-CD2 3.48Å; F46-H54 AromaticContact CE1-CE1 3.81Å; F46-H54 AromaticContact CE1-CG 3.18Å; F46-H54 AromaticContact CE1-ND1 3.58Å; F46-H54 AromaticContact CE1-NE2 3.61Å; F46-H54 HydrophobicContact CE2-CB 4.11Å; F46-H54 HydrophobicContact CG-CB 4.42Å; F46-H54 HydrophobicContact CZ-CB 3.76Å; F46-H54 AromaticContact CZ-CD2 3.34Å; F46-H54 WeakPolarHBondContact CZ-CD2 3.5Å; F46-H54 AromaticContact CZ-CG 3.52Å
47	H	92.9	Very high	92.8	Very high	4 Å²	4	74.8 Å²	74.8	2%	0.019	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	138.1	171.3	-76	-74.8	0	0	0	111.1	H14 C15 C18 C33 C49 K50	H14-H47 AromaticContact CD2-CE1 3.9Å; H14-H47 AromaticContact CD2-NE2 3.64Å; H14-H47 AromaticContact NE2-CE1 3.9Å; H14-H47 AromaticContact NE2-NE2 3.43Å; H14-H47 PolarHBondContact NE2-NE2 3.39Å; C15-H47 HydrophobicContact CB-CB 4.16Å; C15-H47 PolarHBondContact SG-ND1 3.11Å; C18-H47 PolarHBondContact SG-NE2 3.35Å; C33-H47 PolarHBondContact O-CE1 3.43Å; C33-H47 PolarHBondContact O-ND1 3.34Å; H47-C49 PolarHBondContact O-N 3.31Å; H47-K50 WeakPolarHBondContact O-CA 3.13Å; H47-K50 WeakPolarHBondContact O-CB 3.24Å; H47-K50 PolarHBondContact O-N 3.4Å
48	M	90.7	Very high	92.8	Very high	97 Å²	97	67 Å²	67	48%	0.478	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-51.4	-33.1	-177.6	-176	175.3	66.6	0	0	113.9	C33 V34 I36 K50 Q51	C33-M48 PolarHBondContact SG-N 2.83Å; C33-M48 VanDerWaalsContact SG-N 3.43Å; V34-M48 HydrophobicContact CG1-CB 4.13Å; V34-M48 HydrophobicContact CG1-CE 4.36Å; V34-M48 HydrophobicContact CG1-SD 4.18Å; V34-M48 PolarHBondContact O-N 3.46Å; I36-M48 HydrophobicContact CD1-CB 4.19Å; I36-M48 HydrophobicContact CD1-CG 4.17Å; I36-M48 HydrophobicContact CG1-CB 4.37Å; I36-M48 HydrophobicContact CG2-CB 4.21Å; M48-K50 PolarHBondContact O-N 3.01Å; M48-Q51 VanDerWaalsContact O-CB 3.28Å; M48-Q51 WeakPolarHBondContact O-CB 3.3Å; M48-Q51 PolarHBondContact O-N 3.24Å
49	C	90.3	Very high	92.9	Very high	53 Å²	53	69.8 Å²	69.8	36%	0.358	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-65.8	-22.1	175.8	65.6	0	0	0	0	114	C15 C33 H47 Q51	C15-C49 WeakPolarHBondContact CB-SG 2.95Å; C33-C49 PolarHBondContact SG-N 2.78Å; C33-C49 VanDerWaalsContact SG-N 3.35Å; H47-C49 PolarHBondContact O-N 3.31Å; C49-Q51 VanDerWaalsContact C-N 3.32Å
50	K	91.3	Very high	93.1	Very high	33 Å²	33	65.8 Å²	65.8	14%	0.143	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-85.8	3.4	176.7	-64.7	-166.9	169.9	-175.9	0	113.6	C15 D16 C18 F46 H47 M48 E52 E53 H54	C15-K50 WeakPolarHBondContact O-CE 3.39Å; C15-K50 PolarHBondContact O-NZ 3.15Å; D16-K50 PolarHBondContact O-NZ 3.48Å; C18-K50 PolarHBondContact O-NZ 3.24Å; F46-K50 HydrophobicContact CB-CB 4.28Å; F46-K50 HydrophobicContact CD2-CB 4.24Å; H47-K50 WeakPolarHBondContact O-CA 3.13Å; H47-K50 WeakPolarHBondContact O-CB 3.24Å; H47-K50 PolarHBondContact O-N 3.4Å; M48-K50 PolarHBondContact O-N 3.01Å; K50-E52 VanDerWaalsContact C-N 3.32Å; K50-E52 PolarHBondContact O-N 3.25Å; K50-E53 PolarHBondContact O-N 3.48Å; K50-H54 WeakPolarHBondContact O-CB 3.47Å; K50-H54 PolarHBondContact O-N 3.43Å
51	Q	90.8	Very high	93.3	Very high	27 Å²	27	62.9 Å²	62.9	13%	0.126	35%	0.349	C	S	.	.	H	α-helix	trans	-59	-41.2	-177.1	174.8	60.8	49.9	0	0	112.7	H39 F46 M48 C49 Q55	H39-Q51 PolarHBondContact ND1-OE1 3.25Å; F46-Q51 HydrophobicContact CE2-CB 4.06Å; F46-Q51 VanDerWaalsContact CE2-OE1 3.24Å; M48-Q51 VanDerWaalsContact O-CB 3.28Å; M48-Q51 WeakPolarHBondContact O-CB 3.3Å; M48-Q51 PolarHBondContact O-N 3.24Å; C49-Q51 VanDerWaalsContact C-N 3.32Å; Q51-Q55 VanDerWaalsContact NE2-NE2 3.2Å; Q51-Q55 VanDerWaalsContact O-CG 3.32Å; Q51-Q55 WeakPolarHBondContact O-CG 3.27Å; Q51-Q55 PolarHBondContact O-N 3.35Å; Q51-Q55 VanDerWaalsContact O-N 3.09Å
52	E	91.3	Very high	93.4	Very high	147 Å²	147	59 Å²	59	69%	0.687	33%	0.331	S	S	*	.	H	α-helix	trans	-68.4	-41.2	178.9	-64.3	-176.1	-178.9	0	0	111.5	K50 Q55	K50-E52 VanDerWaalsContact C-N 3.32Å; K50-E52 PolarHBondContact O-N 3.25Å; E52-Q55 WeakPolarHBondContact O-CB 3.36Å; E52-Q55 PolarHBondContact O-N 3.5Å
53	E	91.9	Very high	93.6	Very high	107 Å²	107	58.3 Å²	58.3	50%	0.5	33%	0.325	S	S	.	.	H	α-helix	trans	-66.1	-43	175.7	-62.3	-171.8	140.8	0	0	111.8	K50 Q55 L56	K50-E53 PolarHBondContact O-N 3.48Å; E53-Q55 VanDerWaalsContact C-N 3.28Å; E53-Q55 PolarHBondContact O-N 3.5Å; E53-L56 WeakPolarHBondContact O-CB 3.48Å; E53-L56 PolarHBondContact O-N 3.37Å; E53-L56 VanDerWaalsContact O-N 3.11Å
54	H	93.2	Very high	93.8	Very high	27 Å²	27	57.2 Å²	57.2	13%	0.125	31%	0.305	C	S	.	.	H	α-helix	trans	-60.8	-37.6	176.6	176.1	70.4	0	0	0	111.8	C38 C42 A44 F46 K50 L56 L57 C58	C38-H54 PolarHBondContact SG-NE2 2.74Å; C42-H54 PolarHBondContact SG-CE1 3.03Å; C42-H54 PolarHBondContact SG-NE2 3.46Å; A44-H54 WeakPolarHBondContact CB-CE1 3.38Å; F46-H54 HydrophobicContact CD1-CB 4.09Å; F46-H54 AromaticContact CD1-CG 3.78Å; F46-H54 AromaticContact CD1-ND1 3.92Å; F46-H54 HydrophobicContact CD2-CB 4.42Å; F46-H54 HydrophobicContact CE1-CB 3.75Å; F46-H54 AromaticContact CE1-CD2 3.21Å; F46-H54 WeakPolarHBondContact CE1-CD2 3.48Å; F46-H54 AromaticContact CE1-CE1 3.81Å; F46-H54 AromaticContact CE1-CG 3.18Å; F46-H54 AromaticContact CE1-ND1 3.58Å; F46-H54 AromaticContact CE1-NE2 3.61Å; F46-H54 HydrophobicContact CE2-CB 4.11Å; F46-H54 HydrophobicContact CG-CB 4.42Å; F46-H54 HydrophobicContact CZ-CB 3.76Å; F46-H54 AromaticContact CZ-CD2 3.34Å; F46-H54 WeakPolarHBondContact CZ-CD2 3.5Å; F46-H54 AromaticContact CZ-CG 3.52Å; K50-H54 WeakPolarHBondContact O-CB 3.47Å; K50-H54 PolarHBondContact O-N 3.43Å; H54-L56 PolarHBondContact O-N 2.8Å; H54-L57 CarbonylContact O-C 3.57Å; H54-L57 PolarHBondContact O-N 2.68Å; H54-C58 WeakPolarHBondContact NE2-CB 3.34Å; H54-C58 VanDerWaalsContact O-CB 3.27Å; H54-C58 WeakPolarHBondContact O-CB 3.45Å; H54-C58 PolarHBondContact O-N 3.08Å
55	Q	94.1	Very high	93.9	Very high	76 Å²	76	55.9 Å²	55.9	36%	0.355	29%	0.293	S	S	.	.	H	α-helix	trans	-57.3	-33.6	176.3	-77.7	168.7	-5.6	0	0	112.5	Q51 E52 E53 L57	Q51-Q55 VanDerWaalsContact NE2-NE2 3.2Å; Q51-Q55 VanDerWaalsContact O-CG 3.32Å; Q51-Q55 WeakPolarHBondContact O-CG 3.27Å; Q51-Q55 PolarHBondContact O-N 3.35Å; Q51-Q55 VanDerWaalsContact O-N 3.09Å; E52-Q55 WeakPolarHBondContact O-CB 3.36Å; E52-Q55 PolarHBondContact O-N 3.5Å; E53-Q55 VanDerWaalsContact C-N 3.28Å; E53-Q55 PolarHBondContact O-N 3.5Å; Q55-L57 PolarHBondContact O-N 2.86Å
56	L	92.9	Very high	93.9	Very high	124 Å²	124	59.8 Å²	59.8	65%	0.649	31%	0.307	S	S	*	.	H	α-helix	trans	-65.6	-27.6	176.4	-57.5	176.4	0	0	0	112.6	E53 H54 R78	E53-L56 WeakPolarHBondContact O-CB 3.48Å; E53-L56 PolarHBondContact O-N 3.37Å; E53-L56 VanDerWaalsContact O-N 3.11Å; H54-L56 PolarHBondContact O-N 2.8Å; L56-R78 PolarHBondContact O-NE 3.37Å; L56-R78 PolarHBondContact O-NH2 2.98Å
57	L	94.3	Very high	94	Very high	136 Å²	136	60 Å²	60	71%	0.712	31%	0.31	S	S	*	.	H	α-helix	trans	-105.6	-20.7	-176.6	-58.6	176.2	0	0	0	113.4	H54 Q55 P59	H54-L57 CarbonylContact O-C 3.57Å; H54-L57 PolarHBondContact O-N 2.68Å; Q55-L57 PolarHBondContact O-N 2.86Å; L57-P59 WeakPolarHBondContact O-CD 3.39Å
58	C	95.8	Very high	94.1	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.007	33%	0.325	C	S	.	.			trans	-58.7	123.1	-170.6	178.3	0	0	0	0	111.4	H54 N60 E61	H54-C58 WeakPolarHBondContact NE2-CB 3.34Å; H54-C58 VanDerWaalsContact O-CB 3.27Å; H54-C58 WeakPolarHBondContact O-CB 3.45Å; H54-C58 PolarHBondContact O-N 3.08Å; C58-N60 PolarHBondContact O-N 3.32Å; C58-N60 PolarHBondContact SG-N 2.9Å; C58-E61 HydrophobicContact CB-CB 4.01Å; C58-E61 WeakPolarHBondContact O-CB 3.21Å; C58-E61 PolarHBondContact O-N 3.2Å
59	P	96	Very high	94.1	Very high	62 Å²	62	64 Å²	64	40%	0.403	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-25.9	178.2	-24.1	33.8	0	0	0	113.7	L57 R78 H79	L57-P59 WeakPolarHBondContact O-CD 3.39Å; P59-R78 PolarHBondContact O-N 2.72Å; P59-R78 VanDerWaalsContact O-N 3.15Å; P59-H79 HydrophobicContact CB-CB 4.18Å; P59-H79 PolarHBondContact O-N 3.24Å; P59-H79 PolarHBondContact O-ND1 3.35Å
60	N	96.5	Very high	94.1	Very high	51 Å²	51	66.5 Å²	66.5	27%	0.273	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	1.6	-178.5	-68.3	-12.4	0	0	0	113.2	K40 C42 C58 H79	K40-N60 HydrophobicContact CB-CB 3.8Å; K40-N60 PolarHBondContact O-ND2 3.42Å; C42-N60 WeakPolarHBondContact CA-ND2 3.4Å; C42-N60 HydrophobicContact CB-CB 4.3Å; C58-N60 PolarHBondContact O-N 3.32Å; C58-N60 PolarHBondContact SG-N 2.9Å; N60-H79 PolarHBondContact OD1-CE1 3.13Å; N60-H79 PolarHBondContact OD1-ND1 3.35Å
61	E	96.5	Very high	94.1	Very high	41 Å²	41	65.5 Å²	65.5	19%	0.192	34%	0.34	C	S	.	.	S	Bend	trans	-71.8	136.8	176	-167.2	54.3	-126.8	0	0	110.6	C58 V63 P77 R78	C58-E61 HydrophobicContact CB-CB 4.01Å; C58-E61 WeakPolarHBondContact O-CB 3.21Å; C58-E61 PolarHBondContact O-N 3.2Å; E61-V63 PolarHBondContact O-N 2.9Å; E61-P77 CarbonylContact O-C 3.5Å; E61-P77 WeakPolarHBondContact O-CA 3.38Å; E61-R78 PolarHBondContact O-N 3.45Å
62	T	96.6	Very high	94.3	Very high	60 Å²	60	64.4 Å²	64.4	37%	0.368	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	102	-178.1	-59.3	0	0	0	0	110	R75 M76	T62-R75 HydrophobicContact CG2-CB 4.05Å; T62-R75 PolarHBondContact O-NH2 3.29Å; T62-M76 CarbonylContact C-O 3.54Å; T62-M76 WeakPolarHBondContact CA-O 3.49Å
63	V	96.4	Very high	94.4	Very high	20 Å²	20	60.8 Å²	60.8	12%	0.121	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	152.3	-178.4	-62.9	0	0	0	0	111.2	E61 R75 M76 R78	E61-V63 PolarHBondContact O-N 2.9Å; V63-R75 WeakPolarHBondContact O-CA 3.5Å; V63-M76 PolarHBondContact N-O 2.87Å; V63-M76 PolarHBondContact O-N 3.49Å; V63-M76 VanDerWaalsContact O-O 3.12Å; V63-R78 HydrophobicContact CG2-CB 4.01Å; V63-R78 HydrophobicContact CG2-CG 4.42Å
64	P	97.3	Very high	94.5	Very high	51 Å²	51	59 Å²	59	33%	0.331	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	156.2	166	30.1	-35.1	0	0	0	110.6	V68	P64-V68 HydrophobicContact CB-CB 4.09Å; P64-V68 HydrophobicContact CB-CG1 4.23Å; P64-V68 HydrophobicContact CB-CG2 4.14Å
65	C	95.9	Very high	94.7	Very high	2 Å²	2	65.5 Å²	65.5	1%	0.014	34%	0.338	C	S	.	.			trans	-55.4	147.2	168.8	175.9	0	0	0	0	111.2	N67 V68 C72 F74 M76 H84 C88	C65-N67 PolarHBondContact O-N 3.08Å; C65-N67 VanDerWaalsContact O-N 3.14Å; C65-N67 PolarHBondContact SG-N 3.21Å; C65-V68 VanDerWaalsContact O-CB 3.3Å; C65-V68 WeakPolarHBondContact O-CB 3.35Å; C65-V68 WeakPolarHBondContact O-CG1 3.41Å; C65-V68 PolarHBondContact O-N 3.24Å; C65-C72 HydrophobicContact CB-CB 3.88Å; C65-C72 WeakPolarHBondContact CB-SG 3.14Å; C65-C72 VanDerWaalsContact SG-SG 3.69Å; C65-F74 PolarHBondContact N-O 2.91Å; C65-M76 HydrophobicContact CB-CE 4.39Å; C65-H84 PolarHBondContact SG-CD2 3.36Å; C65-H84 PolarHBondContact SG-NE2 3.39Å; C65-C88 VanDerWaalsContact SG-SG 3.67Å
66	F	94.6	Very high	94.8	Very high	115 Å²	115	63 Å²	63	50%	0.504	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-31.1	173.6	-63.2	-60.9	0	0	0	112.8	V68 S81 L85	F66-V68 VanDerWaalsContact C-N 3.32Å; F66-V68 PolarHBondContact O-N 2.88Å; F66-S81 WeakPolarHBondContact CE2-OG 3.36Å; F66-L85 HydrophobicContact CB-CD2 4.44Å; F66-L85 HydrophobicContact CD2-CD1 3.83Å; F66-L85 HydrophobicContact CD2-CD2 4.24Å; F66-L85 HydrophobicContact CD2-CG 4.19Å; F66-L85 HydrophobicContact CE2-CD1 4.31Å
67	N	94.7	Very high	94.9	Very high	26 Å²	26	58.7 Å²	58.7	14%	0.139	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	25.4	179.6	-59.6	-32.3	0	0	0	113.2	C65 D69 F70 G71 C72 L85 A90	C65-N67 PolarHBondContact O-N 3.08Å; C65-N67 VanDerWaalsContact O-N 3.14Å; C65-N67 PolarHBondContact SG-N 3.21Å; N67-D69 VanDerWaalsContact C-N 3.25Å; N67-D69 PolarHBondContact O-N 2.97Å; N67-F70 HydrophobicContact CB-CB 4.29Å; N67-F70 HydrophobicContact CB-CD2 4.06Å; N67-F70 PolarHBondContact O-N 2.82Å; N67-F70 VanDerWaalsContact O-N 3.15Å; N67-G71 PolarHBondContact O-N 3.22Å; N67-G71 VanDerWaalsContact O-N 3.12Å; N67-C72 HydrophobicContact CB-CB 4.39Å; N67-C72 WeakPolarHBondContact O-CB 3.35Å; N67-C72 PolarHBondContact O-N 3.16Å; N67-C72 VanDerWaalsContact O-N 3.1Å; N67-L85 WeakPolarHBondContact ND2-CD2 3.4Å; N67-A90 HydrophobicContact CB-CB 3.76Å
68	V	94.8	Very high	95	Very high	55 Å²	55	55.9 Å²	55.9	33%	0.333	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-38.5	177.6	64.3	0	0	0	0	111.9	P64 C65 F66 F70 G71 K630	P64-V68 HydrophobicContact CB-CB 4.09Å; P64-V68 HydrophobicContact CB-CG1 4.23Å; P64-V68 HydrophobicContact CB-CG2 4.14Å; C65-V68 VanDerWaalsContact O-CB 3.3Å; C65-V68 WeakPolarHBondContact O-CB 3.35Å; C65-V68 WeakPolarHBondContact O-CG1 3.41Å; C65-V68 PolarHBondContact O-N 3.24Å; F66-V68 VanDerWaalsContact C-N 3.32Å; F66-V68 PolarHBondContact O-N 2.88Å; V68-F70 VanDerWaalsContact C-N 3.29Å; V68-F70 PolarHBondContact O-N 3.06Å; V68-G71 WeakPolarHBondContact O-CA 3.28Å; V68-G71 PolarHBondContact O-N 3.45Å; V68-K630 PolarHBondContact O-NZ 2.86Å
69	D	91.2	Very high	94.9	Very high	131 Å²	131	60.6 Å²	60.6	70%	0.701	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-29.2	178.8	-65.9	-35.1	0	0	0	112.2	N67 G71 K630	N67-D69 VanDerWaalsContact C-N 3.25Å; N67-D69 PolarHBondContact O-N 2.97Å; D69-G71 VanDerWaalsContact C-N 3.32Å; D69-K630 WeakPolarHBondContact O-CE 3.32Å; D69-K630 PolarHBondContact O-NZ 2.89Å
70	F	90.5	Very high	95	Very high	104 Å²	104	63.1 Å²	63.1	46%	0.456	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-19.4	171.1	-64.7	-76.4	0	0	0	113	N67 V68 A90 V609 L611	N67-F70 HydrophobicContact CB-CB 4.29Å; N67-F70 HydrophobicContact CB-CD2 4.06Å; N67-F70 PolarHBondContact O-N 2.82Å; N67-F70 VanDerWaalsContact O-N 3.15Å; V68-F70 VanDerWaalsContact C-N 3.29Å; V68-F70 PolarHBondContact O-N 3.06Å; F70-A90 HydrophobicContact CB-CB 3.9Å; F70-V609 VanDerWaalsContact O-CG1 3.3Å; F70-V609 WeakPolarHBondContact O-CG1 3.49Å; F70-L611 HydrophobicContact CD1-CD1 3.78Å; F70-L611 HydrophobicContact CE1-CD1 4.18Å
71	G	91.8	Very high	94.9	Very high	13 Å²	13	61.3 Å²	61.3	13%	0.134	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	122.5	13.3	172.7	0	0	0	0	0	116.1	N67 V68 D69 P73	N67-G71 PolarHBondContact O-N 3.22Å; N67-G71 VanDerWaalsContact O-N 3.12Å; V68-G71 WeakPolarHBondContact O-CA 3.28Å; V68-G71 PolarHBondContact O-N 3.45Å; D69-G71 VanDerWaalsContact C-N 3.32Å; G71-P73 WeakPolarHBondContact O-CD 3.48Å
72	C	94	Very high	94.7	Very high	3 Å²	3	62.4 Å²	62.4	2%	0.02	32%	0.32	C	S	.	.			trans	-65.4	125.4	172.4	-174.4	0	0	0	0	110.9	C65 N67 H84 A90	C65-C72 HydrophobicContact CB-CB 3.88Å; C65-C72 WeakPolarHBondContact CB-SG 3.14Å; C65-C72 VanDerWaalsContact SG-SG 3.69Å; N67-C72 HydrophobicContact CB-CB 4.39Å; N67-C72 WeakPolarHBondContact O-CB 3.35Å; N67-C72 PolarHBondContact O-N 3.16Å; N67-C72 VanDerWaalsContact O-N 3.1Å; C72-H84 PolarHBondContact SG-NE2 2.79Å; C72-A90 HydrophobicContact CB-CB 3.81Å
73	P	93.1	Very high	94.6	Very high	72 Å²	72	67.2 Å²	67.2	47%	0.468	34%	0.336	S	S	.	.			trans	-84.1	-9.9	-179	33.5	-34.3	0	0	0	113.4	G71 W632	G71-P73 WeakPolarHBondContact O-CD 3.48Å; P73-W632 HydrophobicContact CG-CH2 4.23Å; P73-W632 HydrophobicContact CG-CZ2 4.16Å
74	F	94.3	Very high	94.5	Very high	68 Å²	68	67.4 Å²	67.4	30%	0.298	34%	0.335	S	S	.	.			trans	-80.4	140.6	-167.4	-65.5	-76.4	0	0	0	113.6	C65 M76 H84 P89	C65-F74 PolarHBondContact N-O 2.91Å; F74-M76 HydrophobicContact CB-CE 3.54Å; F74-H84 AromaticContact CD2-CE1 3.52Å; F74-P89 HydrophobicContact CE2-CG 4.15Å
75	R	96.9	Very high	94.4	Very high	164 Å²	164	67.4 Å²	67.4	62%	0.619	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121	138.3	168.4	-58.8	-177.4	66.9	92.9	4.3	108.9	T62 V63	T62-R75 HydrophobicContact CG2-CB 4.05Å; T62-R75 PolarHBondContact O-NH2 3.29Å; V63-R75 WeakPolarHBondContact O-CA 3.5Å
76	M	95.9	Very high	94.2	Very high	24 Å²	24	73.1 Å²	73.1	12%	0.118	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	164.3	-173.5	65.7	-155.2	67.2	0	0	111.6	T62 V63 C65 F74 R78 K80 H84	T62-M76 CarbonylContact C-O 3.54Å; T62-M76 WeakPolarHBondContact CA-O 3.49Å; V63-M76 PolarHBondContact N-O 2.87Å; V63-M76 PolarHBondContact O-N 3.49Å; V63-M76 VanDerWaalsContact O-O 3.12Å; C65-M76 HydrophobicContact CB-CE 4.39Å; F74-M76 HydrophobicContact CB-CE 3.54Å; M76-R78 PolarHBondContact O-N 2.65Å; M76-K80 HydrophobicContact CB-CB 4.47Å; M76-K80 HydrophobicContact CG-CB 4.38Å; M76-H84 HydrophobicContact CE-CB 3.89Å; M76-H84 VanDerWaalsContact CE-CG 3.46Å; M76-H84 HydrophobicContact SD-CB 3.34Å; M76-H84 WeakPolarHBondContact SD-CB 3.25Å
77	P	96.6	Very high	94.1	Very high	34 Å²	34	71.1 Å²	71.1	22%	0.221	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	137.8	167.8	-24.6	34.9	0	0	0	111.2	E61 H79 K80	E61-P77 CarbonylContact O-C 3.5Å; E61-P77 WeakPolarHBondContact O-CA 3.38Å; P77-H79 WeakPolarHBondContact CB-CE1 3.47Å; P77-H79 PolarHBondContact O-N 3.06Å; P77-H79 VanDerWaalsContact O-N 3.12Å; P77-K80 HydrophobicContact CB-CG 4.41Å; P77-K80 HydrophobicContact CG-CD 4.38Å; P77-K80 WeakPolarHBondContact O-CB 3.38Å; P77-K80 PolarHBondContact O-N 3.44Å
78	R	95.7	Very high	94.1	Very high	77 Å²	77	69.9 Å²	69.9	29%	0.291	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-50	-40.8	-177.4	-174.2	-178	-61.9	-83.2	3.5	113.4	L56 P59 E61 V63 M76 K80 S81	L56-R78 PolarHBondContact O-NE 3.37Å; L56-R78 PolarHBondContact O-NH2 2.98Å; P59-R78 PolarHBondContact O-N 2.72Å; P59-R78 VanDerWaalsContact O-N 3.15Å; E61-R78 PolarHBondContact O-N 3.45Å; V63-R78 HydrophobicContact CG2-CB 4.01Å; V63-R78 HydrophobicContact CG2-CG 4.42Å; M76-R78 PolarHBondContact O-N 2.65Å; R78-K80 PolarHBondContact O-N 2.96Å; R78-S81 VanDerWaalsContact O-CB 3.29Å; R78-S81 WeakPolarHBondContact O-CB 3.29Å; R78-S81 PolarHBondContact O-N 3.24Å; R78-S81 VanDerWaalsContact O-N 3.14Å; R78-S81 PolarHBondContact O-OG 3.18Å
79	H	94.8	Very high	94.2	Very high	100 Å²	100	67.3 Å²	67.3	46%	0.463	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-64.6	-21.1	178.3	67.5	-93.4	0	0	0	114.5	P59 N60 P77	P59-H79 HydrophobicContact CB-CB 4.18Å; P59-H79 PolarHBondContact O-N 3.24Å; P59-H79 PolarHBondContact O-ND1 3.35Å; N60-H79 PolarHBondContact OD1-CE1 3.13Å; N60-H79 PolarHBondContact OD1-ND1 3.35Å; P77-H79 WeakPolarHBondContact CB-CE1 3.47Å; P77-H79 PolarHBondContact O-N 3.06Å; P77-H79 VanDerWaalsContact O-N 3.12Å
80	K	96.1	Very high	94.4	Very high	115 Å²	115	61.5 Å²	61.5	50%	0.5	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-87.6	-8.9	176.9	-61.1	-167	178.9	179.5	0	113.5	M76 P77 R78 A82 K83 H84	M76-K80 HydrophobicContact CB-CB 4.47Å; M76-K80 HydrophobicContact CG-CB 4.38Å; P77-K80 HydrophobicContact CB-CG 4.41Å; P77-K80 HydrophobicContact CG-CD 4.38Å; P77-K80 WeakPolarHBondContact O-CB 3.38Å; P77-K80 PolarHBondContact O-N 3.44Å; R78-K80 PolarHBondContact O-N 2.96Å; K80-A82 PolarHBondContact O-N 3.22Å; K80-K83 PolarHBondContact O-N 3.19Å; K80-H84 PolarHBondContact O-N 2.79Å
81	S	94.7	Very high	94.6	Very high	12 Å²	12	57.4 Å²	57.4	8%	0.084	29%	0.288	C	S	.	.	H	α-helix	trans	-59.1	-43.3	-176.4	61	0	0	0	0	112.9	F66 R78 H84 L85	F66-S81 WeakPolarHBondContact CE2-OG 3.36Å; R78-S81 VanDerWaalsContact O-CB 3.29Å; R78-S81 WeakPolarHBondContact O-CB 3.29Å; R78-S81 PolarHBondContact O-N 3.24Å; R78-S81 VanDerWaalsContact O-N 3.14Å; R78-S81 PolarHBondContact O-OG 3.18Å; S81-H84 WeakPolarHBondContact O-CB 3.45Å; S81-H84 PolarHBondContact O-N 3.32Å; S81-L85 WeakPolarHBondContact O-CG 3.29Å; S81-L85 PolarHBondContact O-N 3.46Å
82	A	93	Very high	94.6	Very high	64 Å²	64	59.2 Å²	59.2	53%	0.529	30%	0.296	S	S	.	.	H	α-helix	trans	-60.8	-49	178.6	0	0	0	0	0	112.1	K80 H84 L85	K80-A82 PolarHBondContact O-N 3.22Å; A82-H84 VanDerWaalsContact C-N 3.27Å; A82-H84 PolarHBondContact O-N 3.1Å; A82-L85 WeakPolarHBondContact O-CB 3.14Å; A82-L85 PolarHBondContact O-N 2.79Å; A82-L85 VanDerWaalsContact O-N 3.1Å
83	K	94.3	Very high	94.6	Very high	162 Å²	162	60.6 Å²	60.6	70%	0.704	30%	0.304	S	S	*	.	H	α-helix	trans	-61.6	-35.5	176.5	-174.3	172.3	-177.7	173.3	0	112.3	K80	K80-K83 PolarHBondContact O-N 3.19Å
84	H	94.9	Very high	94.7	Very high	23 Å²	23	60.6 Å²	60.6	11%	0.106	31%	0.305	C	S	.	.	H	α-helix	trans	-67.5	-34.7	175.2	168	71	0	0	0	112.9	C65 C72 F74 M76 K80 S81 A82 E86 V87 C88	C65-H84 PolarHBondContact SG-CD2 3.36Å; C65-H84 PolarHBondContact SG-NE2 3.39Å; C72-H84 PolarHBondContact SG-NE2 2.79Å; F74-H84 AromaticContact CD2-CE1 3.52Å; M76-H84 HydrophobicContact CE-CB 3.89Å; M76-H84 VanDerWaalsContact CE-CG 3.46Å; M76-H84 HydrophobicContact SD-CB 3.34Å; M76-H84 WeakPolarHBondContact SD-CB 3.25Å; K80-H84 PolarHBondContact O-N 2.79Å; S81-H84 WeakPolarHBondContact O-CB 3.45Å; S81-H84 PolarHBondContact O-N 3.32Å; A82-H84 VanDerWaalsContact C-N 3.27Å; A82-H84 PolarHBondContact O-N 3.1Å; H84-E86 PolarHBondContact O-N 2.96Å; H84-V87 CarbonylContact O-C 3.47Å; H84-V87 PolarHBondContact O-N 3.16Å; H84-V87 VanDerWaalsContact O-N 3.09Å; H84-C88 PolarHBondContact NE2-SG 3.36Å; H84-C88 WeakPolarHBondContact O-CA 3.46Å; H84-C88 WeakPolarHBondContact O-CB 3.35Å; H84-C88 PolarHBondContact O-N 3.07Å
85	L	93.8	Very high	94.7	Very high	52 Å²	52	57.4 Å²	57.4	27%	0.272	29%	0.291	S	S	.	.	H	α-helix	trans	-59	-30.2	-179	-75.4	177.9	0	0	0	113.1	F66 N67 S81 A82 V87 C88	F66-L85 HydrophobicContact CB-CD2 4.44Å; F66-L85 HydrophobicContact CD2-CD1 3.83Å; F66-L85 HydrophobicContact CD2-CD2 4.24Å; F66-L85 HydrophobicContact CD2-CG 4.19Å; F66-L85 HydrophobicContact CE2-CD1 4.31Å; N67-L85 WeakPolarHBondContact ND2-CD2 3.4Å; S81-L85 WeakPolarHBondContact O-CG 3.29Å; S81-L85 PolarHBondContact O-N 3.46Å; A82-L85 WeakPolarHBondContact O-CB 3.14Å; A82-L85 PolarHBondContact O-N 2.79Å; A82-L85 VanDerWaalsContact O-N 3.1Å; L85-V87 VanDerWaalsContact C-N 3.28Å; L85-V87 PolarHBondContact O-N 3.32Å; L85-C88 PolarHBondContact O-N 3.33Å
86	E	92.4	Very high	94.5	Very high	122 Å²	122	54 Å²	54	57%	0.57	29%	0.292	S	S	*	.	H	α-helix	trans	-59.1	-39.8	176.1	-64.8	173.8	-172.8	0	0	111.9	H84 D478	H84-E86 PolarHBondContact O-N 2.96Å; E86-D478 WeakPolarHBondContact O-CB 3.46Å; E86-D478 PolarHBondContact O-N 3.08Å
87	V	93.1	Very high	94.3	Very high	73 Å²	73	55.7 Å²	55.7	44%	0.442	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	13.9	-176.1	-61.5	0	0	0	0	112.7	H84 L85	H84-V87 CarbonylContact O-C 3.47Å; H84-V87 PolarHBondContact O-N 3.16Å; H84-V87 VanDerWaalsContact O-N 3.09Å; L85-V87 VanDerWaalsContact C-N 3.28Å; L85-V87 PolarHBondContact O-N 3.32Å
88	C	95.2	Very high	94.1	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.302	C	S	.	.			trans	-70.4	125.5	-172.6	177.5	0	0	0	0	110.1	C65 H84 L85 A90 S91 R476	C65-C88 VanDerWaalsContact SG-SG 3.67Å; H84-C88 PolarHBondContact NE2-SG 3.36Å; H84-C88 WeakPolarHBondContact O-CA 3.46Å; H84-C88 WeakPolarHBondContact O-CB 3.35Å; H84-C88 PolarHBondContact O-N 3.07Å; L85-C88 PolarHBondContact O-N 3.33Å; C88-A90 PolarHBondContact O-N 3.23Å; C88-A90 VanDerWaalsContact O-N 3.14Å; C88-S91 PolarHBondContact O-N 3.04Å; C88-R476 WeakPolarHBondContact O-CG 3.43Å
89	P	95.1	Very high	93.9	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.006	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-21.3	-179.3	26.1	-35.1	0	0	0	113.1	F74 G607 M608 V609 W632	F74-P89 HydrophobicContact CE2-CG 4.15Å; P89-G607 WeakPolarHBondContact CB-O 3.45Å; P89-M608 CarbonylContact O-C 3.56Å; P89-M608 VanDerWaalsContact O-CA 3.24Å; P89-M608 WeakPolarHBondContact O-CA 3.35Å; P89-V609 HydrophobicContact CB-CG2 4.42Å; P89-V609 PolarHBondContact O-N 3.14Å; P89-W632 HydrophobicContact CB-CH2 3.76Å; P89-W632 HydrophobicContact CB-CZ3 3.5Å; P89-W632 VanDerWaalsContact CB-CZ3 3.5Å; P89-W632 HydrophobicContact CG-CH2 3.64Å; P89-W632 HydrophobicContact CG-CZ3 3.92Å
90	A	95.3	Very high	93.8	Very high	8 Å²	8	49 Å²	49	7%	0.066	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	3	175	0	0	0	0	0	113.3	N67 F70 C72 C88 V92 V609	N67-A90 HydrophobicContact CB-CB 3.76Å; F70-A90 HydrophobicContact CB-CB 3.9Å; C72-A90 HydrophobicContact CB-CB 3.81Å; C88-A90 PolarHBondContact O-N 3.23Å; C88-A90 VanDerWaalsContact O-N 3.14Å; A90-V92 PolarHBondContact O-N 3.4Å; A90-V609 HydrophobicContact CB-CB 4.38Å
91	S	94.6	Very high	93.6	Very high	18 Å²	18	43.6 Å²	43.6	13%	0.126	25%	0.246	C	C	.	.			trans	-91.8	83.1	167.5	-165.1	0	0	0	0	108.8	C88 R477	C88-S91 PolarHBondContact O-N 3.04Å; S91-R477 PolarHBondContact O-N 3.39Å
92	V	93.8	Very high	93.5	Very high	51 Å²	51	44.5 Å²	44.5	31%	0.309	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	136.3	-176.6	-178.2	0	0	0	0	109.8	A90 F475 M608 V609	A90-V92 PolarHBondContact O-N 3.4Å; V92-F475 CarbonylContact C-O 3.56Å; V92-F475 WeakPolarHBondContact CA-O 3.32Å; V92-F475 WeakPolarHBondContact CG1-O 3.31Å; V92-M608 HydrophobicContact CG1-SD 4.01Å; V92-M608 HydrophobicContact CG2-CB 3.85Å; V92-M608 HydrophobicContact CG2-SD 4.39Å; V92-V609 WeakPolarHBondContact CG2-O 3.37Å
93	V	93.8	Very high	93.4	Very high	33 Å²	33	42.4 Å²	42.4	20%	0.2	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	139.3	177.4	-177.7	0	0	0	0	108.6	S474 F475 R477 F480	V93-S474 WeakPolarHBondContact O-CA 2.84Å; V93-F475 PolarHBondContact N-O 3.1Å; V93-F475 PolarHBondContact O-N 3.09Å; V93-R477 HydrophobicContact CG2-CB 4.22Å; V93-R477 HydrophobicContact CG2-CG 4.41Å; V93-F480 HydrophobicContact CG1-CD2 4.12Å; V93-F480 HydrophobicContact CG1-CE2 4.35Å; V93-F480 HydrophobicContact CG1-CG 4.44Å
94	C	93.8	Very high	93.2	Very high	71 Å²	71	35.8 Å²	35.8	48%	0.48	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	134.6	172.6	-169.8	0	0	0	0	109.7	S96 G472	C94-S96 PolarHBondContact O-N 3.23Å; C94-G472 PolarHBondContact SG-O 3.21Å; C94-G472 VanDerWaalsContact SG-O 3.36Å
95	C	94.7	Very high	92.4	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.007	21%	0.212	C	C	.	.			trans	-75.7	116.5	176	-171.7	0	0	0	0	111.1	C471 G472 H473 F475 F480 H483 H488	C95-C471 HydrophobicContact CB-CB 3.95Å; C95-G472 PolarHBondContact O-N 2.89Å; C95-H473 PolarHBondContact N-O 3.33Å; C95-F475 HydrophobicContact CB-CE2 4.29Å; C95-F480 HydrophobicContact CB-CE2 4.06Å; C95-H483 PolarHBondContact SG-NE2 2.86Å; C95-H483 VanDerWaalsContact SG-NE2 3.44Å; C95-H488 PolarHBondContact SG-NE2 3.47Å
96	S	92.6	Very high	91.4	Very high	92 Å²	92	43.1 Å²	43.1	64%	0.643	24%	0.238	S	C	*	.			trans	-98.4	21.7	178.2	67.8	0	0	0	0	112.9	C94 E98	C94-S96 PolarHBondContact O-N 3.23Å; S96-E98 PolarHBondContact O-N 2.64Å
97	Q	92.7	Very high	90.4	Very high	60 Å²	60	43 Å²	43	28%	0.28	25%	0.246	S	C	.	.			trans	-67	131.3	174.5	-178.7	61.1	44.8	0	0	109.1	W99 T470 C471 F484 H488	Q97-W99 HydrophobicContact CG-CE3 4.39Å; Q97-W99 HydrophobicContact CG-CZ3 4.48Å; Q97-W99 WeakPolarHBondContact O-CZ3 3.42Å; Q97-T470 WeakPolarHBondContact O-CA 3.16Å; Q97-C471 HydrophobicContact CB-CB 4.45Å; Q97-C471 PolarHBondContact O-N 3.12Å; Q97-F484 HydrophobicContact CB-CE2 4.2Å; Q97-F484 HydrophobicContact CG-CE2 4.48Å; Q97-H488 HydrophobicContact CG-CB 4Å
98	E	91.8	Very high	89.2	Confident	56 Å²	56	42.7 Å²	42.7	26%	0.262	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	154.3	-177.8	-63.6	169.2	177.8	0	0	111.4	S96 V456 K462 Y469 T470	S96-E98 PolarHBondContact O-N 2.64Å; E98-V456 HydrophobicContact CB-CB 4.35Å; E98-V456 HydrophobicContact CB-CG2 3.72Å; E98-K462 IonicContact OE1-NZ 3.73Å; E98-K462 WeakPolarHBondContact OE2-CE 3.34Å; E98-K462 IonicContact OE2-NZ 2.7Å; E98-K462 PolarHBondContact OE2-NZ 3.48Å; E98-Y469 CarbonylContact C-O 3.52Å; E98-Y469 WeakPolarHBondContact CA-O 3.43Å; E98-T470 HydrophobicContact CG-CG2 4.22Å
99	W	92.4	Very high	88.5	Confident	11 Å²	11	46.4 Å²	46.4	4%	0.042	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	156.5	171.8	58.5	96.6	0	0	0	110.3	Q97 D135 T453 Y469 C471 H488	Q97-W99 HydrophobicContact CG-CE3 4.39Å; Q97-W99 HydrophobicContact CG-CZ3 4.48Å; Q97-W99 WeakPolarHBondContact O-CZ3 3.42Å; W99-D135 PolarHBondContact NE1-OD2 3.41Å; W99-T453 HydrophobicContact CG-CG2 4.38Å; W99-Y469 PolarHBondContact N-O 3.19Å; W99-Y469 AromaticContact NE1-CD2 3.96Å; W99-Y469 AromaticContact NE1-CG 3.96Å; W99-Y469 PolarHBondContact O-N 2.75Å; W99-C471 HydrophobicContact CH2-CB 4.2Å; W99-C471 HydrophobicContact CZ3-CB 4.02Å; W99-H488 AromaticContact CZ3-CE1 3.91Å
100	N	91.8	Very high	88.2	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.016	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	145.4	170.8	-70.6	-28.3	0	0	0	110	W102 T453 E454 F467 S468	N100-W102 HydrophobicContact CB-CZ2 3.93Å; N100-T453 WeakPolarHBondContact O-CA 3.17Å; N100-E454 HydrophobicContact CB-CB 4.26Å; N100-E454 PolarHBondContact N-O 2.83Å; N100-E454 PolarHBondContact O-N 3.24Å; N100-F467 WeakPolarHBondContact CA-O 3.48Å; N100-S468 WeakPolarHBondContact OD1-CA 3.36Å; N100-S468 PolarHBondContact OD1-OG 2.97Å
101	R	92.7	Very high	87.9	Confident	3 Å²	3	49.7 Å²	49.7	1%	0.011	28%	0.279	C	S	.	.			trans	-134.9	119	167.7	-170.4	-177.5	-63.4	-80.4	2	109.9	D135 V449 D450 V451 E452 F467 Y469	R101-D135 IonicContact CZ-OD2 3.08Å; R101-D135 VanDerWaalsContact CZ-OD2 3.26Å; R101-D135 IonicContact NE-OD2 2.98Å; R101-D135 PolarHBondContact NE-OD2 3.09Å; R101-D135 IonicContact NH2-OD2 2.68Å; R101-D135 PolarHBondContact NH2-OD2 3.49Å; R101-V449 VanDerWaalsContact CD-CG2 3.5Å; R101-V449 HydrophobicContact CG-CB 4.06Å; R101-V449 HydrophobicContact CG-CG2 4.25Å; R101-D450 VanDerWaalsContact CD-O 3.25Å; R101-D450 WeakPolarHBondContact CD-O 3.23Å; R101-D450 VanDerWaalsContact CG-O 3.27Å; R101-D450 WeakPolarHBondContact CG-O 3.49Å; R101-D450 PolarHBondContact NH1-O 3.23Å; R101-V451 PolarHBondContact NH1-O 3.35Å; R101-E452 PolarHBondContact NH1-O 3.35Å; R101-F467 PolarHBondContact N-O 3.34Å; R101-F467 WeakPolarHBondContact O-CB 3.37Å; R101-Y469 HydrophobicContact CB-CD2 4.15Å; R101-Y469 HydrophobicContact CB-CE2 3.56Å
102	W	91.6	Very high	87.6	Confident	31 Å²	31	49.7 Å²	49.7	12%	0.117	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-92.9	159	-173.3	-58.1	110.7	0	0	0	112	N100 L396 K401 V449 D450 E454 H460 F467	N100-W102 HydrophobicContact CB-CZ2 3.93Å; W102-L396 HydrophobicContact CE3-CD2 3.88Å; W102-L396 HydrophobicContact CZ3-CD2 4.19Å; W102-K401 HydrophobicContact CD2-CD 4.41Å; W102-K401 HydrophobicContact CE3-CD 4.09Å; W102-K401 HydrophobicContact CH2-CD 3.77Å; W102-K401 HydrophobicContact CZ2-CD 4.14Å; W102-K401 HydrophobicContact CZ3-CD 3.75Å; W102-V449 CarbonylContact O-C 3.33Å; W102-V449 WeakPolarHBondContact O-CA 3.44Å; W102-D450 PolarHBondContact O-N 3.34Å; W102-E454 PolarHBondContact NE1-OE2 3.15Å; W102-H460 AromaticContact CH2-CE1 3.64Å; W102-F467 HydrophobicContact CE3-CB 3.97Å; W102-F467 AromaticContact CE3-CD2 3.94Å; W102-F467 HydrophobicContact CE3-CD2 3.94Å; W102-F467 AromaticContact CE3-CG 3.9Å; W102-F467 HydrophobicContact CE3-CG 3.9Å; W102-F467 HydrophobicContact CZ3-CB 3.88Å; W102-F467 AromaticContact CZ3-CD2 3.61Å; W102-F467 HydrophobicContact CZ3-CD2 3.61Å; W102-F467 HydrophobicContact CZ3-CE2 4.4Å; W102-F467 AromaticContact CZ3-CG 3.92Å; W102-F467 HydrophobicContact CZ3-CG 3.92Å
103	P	92	Very high	87.3	Confident	19 Å²	19	54.3 Å²	54.3	12%	0.123	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-57.9	154.4	165.6	-25.8	38.7	0	0	0	112.1	L392 L396 F448 F467	P103-L392 HydrophobicContact CB-CB 4.34Å; P103-L392 HydrophobicContact CB-CD1 4.08Å; P103-L392 HydrophobicContact CG-CB 4.04Å; P103-L392 HydrophobicContact CG-CD1 4.23Å; P103-L392 HydrophobicContact CG-CD2 4.4Å; P103-L392 HydrophobicContact CG-CG 4.47Å; P103-L396 HydrophobicContact CB-CD1 4.19Å; P103-L396 HydrophobicContact CG-CD1 3.77Å; P103-L396 HydrophobicContact CG-CD2 4.18Å; P103-L396 HydrophobicContact CG-CG 3.92Å; P103-F448 WeakPolarHBondContact CA-O 3.38Å; P103-F467 HydrophobicContact CG-CD1 4.32Å; P103-F467 HydrophobicContact CG-CE1 3.53Å; P103-F467 HydrophobicContact CG-CZ 3.92Å
104	V	89.1	Confident	87.1	Confident	23 Å²	23	54.8 Å²	54.8	14%	0.139	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-63.6	130.1	176.2	174.9	0	0	0	0	110.3	M109 Y112 F448	V104-M109 HydrophobicContact CB-SD 4.27Å; V104-M109 HydrophobicContact CG1-SD 3.51Å; V104-M109 VanDerWaalsContact CG1-SD 3.51Å; V104-Y112 HydrophobicContact CB-CD2 4.21Å; V104-Y112 HydrophobicContact CB-CE2 4.31Å; V104-Y112 HydrophobicContact CB-CG 4.37Å; V104-Y112 HydrophobicContact CG1-CD1 4.43Å; V104-Y112 HydrophobicContact CG1-CD2 3.28Å; V104-Y112 HydrophobicContact CG1-CE2 3.52Å; V104-Y112 HydrophobicContact CG1-CG 3.81Å; V104-Y112 HydrophobicContact CG2-CD1 3.4Å; V104-Y112 HydrophobicContact CG2-CD2 3.8Å; V104-Y112 HydrophobicContact CG2-CE1 3.45Å; V104-Y112 VanDerWaalsContact CG2-CE1 3.45Å; V104-Y112 HydrophobicContact CG2-CE2 3.87Å; V104-Y112 HydrophobicContact CG2-CG 3.59Å; V104-F448 PolarHBondContact N-O 3.45Å
105	P	78.5	Confident	86.8	Confident	52 Å²	52	51.6 Å²	51.6	34%	0.338	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-69.8	145.2	174.2	27.6	-32.3	0	0	0	111.3	T107 D108	P105-T107 PolarHBondContact O-N 3.11Å; P105-D108 HydrophobicContact CG-CB 4.35Å; P105-D108 PolarHBondContact O-N 3.35Å; P105-D108 VanDerWaalsContact O-N 3.12Å
106	E	72.4	Confident	86.5	Confident	177 Å²	177	52.6 Å²	52.6	83%	0.827	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-57	-23.1	-177.5	-67	-179.5	-179.2	0	0	113.9	M109	E106-M109 WeakPolarHBondContact O-CG 3.29Å
107	T	70.6	Confident	86.1	Confident	119 Å²	119	53.9 Å²	53.9	73%	0.73	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-73.5	-26.2	-179.3	50.4	0	0	0	0	114.3	P105	P105-T107 PolarHBondContact O-N 3.11Å
108	D	69.9	Low	85.6	Confident	68 Å²	68	53.4 Å²	53.4	36%	0.364	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-111.5	20.8	-168.2	-70.9	-39.4	0	0	0	114.2	P105 T110 Y112	P105-D108 HydrophobicContact CG-CB 4.35Å; P105-D108 PolarHBondContact O-N 3.35Å; P105-D108 VanDerWaalsContact O-N 3.12Å; D108-T110 VanDerWaalsContact C-N 3.25Å; D108-T110 PolarHBondContact O-N 2.85Å; D108-T110 VanDerWaalsContact O-N 3.11Å; D108-Y112 HydrophobicContact CB-CE2 4.31Å; D108-Y112 VanDerWaalsContact O-CD2 3.26Å; D108-Y112 WeakPolarHBondContact O-CD2 3.39Å
109	M	80.6	Confident	85	Confident	78 Å²	78	51.8 Å²	51.8	38%	0.384	27%	0.267	S	S	.	.	H	α-helix	trans	-64.8	-19.3	-171.2	-65.5	-63.3	-75.6	0	0	115.5	V104 E106 R113	V104-M109 HydrophobicContact CB-SD 4.27Å; V104-M109 HydrophobicContact CG1-SD 3.51Å; V104-M109 VanDerWaalsContact CG1-SD 3.51Å; E106-M109 WeakPolarHBondContact O-CG 3.29Å; M109-R113 VanDerWaalsContact O-CB 3.25Å; M109-R113 WeakPolarHBondContact O-CB 3.34Å; M109-R113 PolarHBondContact O-N 3.17Å
110	T	87.4	Confident	83.9	Confident	64 Å²	64	56.5 Å²	56.5	39%	0.393	29%	0.289	S	S	.	.	H	α-helix	trans	-64.4	-45.5	-177.1	50.8	0	0	0	0	111.9	D108 N114 Y507	D108-T110 VanDerWaalsContact C-N 3.25Å; D108-T110 PolarHBondContact O-N 2.85Å; D108-T110 VanDerWaalsContact O-N 3.11Å; T110-N114 VanDerWaalsContact O-CG 3.24Å; T110-N114 PolarHBondContact O-N 3Å; T110-N114 VanDerWaalsContact O-N 3.17Å; T110-N114 PolarHBondContact O-OD1 2.94Å; T110-Y507 PolarHBondContact OG1-O 3.03Å; T110-Y507 VanDerWaalsContact OG1-O 3.09Å
111	F	88.6	Confident	82.5	Confident	14 Å²	14	61.7 Å²	61.7	6%	0.061	32%	0.323	C	S	.	.	H	α-helix	trans	-61.4	-53.2	177.5	171.3	-106.6	0	0	0	111.8	R113 N114 V115 V451 R502 A506	F111-R113 VanDerWaalsContact C-N 3.3Å; F111-R113 PolarHBondContact O-N 3.15Å; F111-N114 PolarHBondContact O-N 2.76Å; F111-V115 HydrophobicContact CD1-CG2 4.47Å; F111-V115 HydrophobicContact CD2-CG2 4.11Å; F111-V115 HydrophobicContact CE1-CG2 3.97Å; F111-V115 HydrophobicContact CE2-CG2 3.56Å; F111-V115 HydrophobicContact CZ-CG2 3.47Å; F111-V115 VanDerWaalsContact CZ-CG2 3.47Å; F111-V115 WeakPolarHBondContact O-CG2 3.39Å; F111-V115 PolarHBondContact O-N 2.85Å; F111-V451 HydrophobicContact CE1-CG2 4.04Å; F111-R502 VanDerWaalsContact CE2-NH1 3.29Å; F111-R502 VanDerWaalsContact CZ-CZ 3.45Å; F111-A506 WeakPolarHBondContact CB-O 3.33Å; F111-A506 HydrophobicContact CD2-CB 4.12Å; F111-A506 WeakPolarHBondContact CD2-O 3.26Å; F111-A506 HydrophobicContact CE2-CB 4.27Å
112	Y	89.4	Confident	81	Confident	18 Å²	18	65.7 Å²	65.7	7%	0.071	35%	0.345	C	S	.	.	H	α-helix	trans	-63.9	-36	-176.2	-67.6	-84.9	0	0	0	112.7	V104 D108 S116 L447 V449 D450 V451	V104-Y112 HydrophobicContact CB-CD2 4.21Å; V104-Y112 HydrophobicContact CB-CE2 4.31Å; V104-Y112 HydrophobicContact CB-CG 4.37Å; V104-Y112 HydrophobicContact CG1-CD1 4.43Å; V104-Y112 HydrophobicContact CG1-CD2 3.28Å; V104-Y112 HydrophobicContact CG1-CE2 3.52Å; V104-Y112 HydrophobicContact CG1-CG 3.81Å; V104-Y112 HydrophobicContact CG2-CD1 3.4Å; V104-Y112 HydrophobicContact CG2-CD2 3.8Å; V104-Y112 HydrophobicContact CG2-CE1 3.45Å; V104-Y112 VanDerWaalsContact CG2-CE1 3.45Å; V104-Y112 HydrophobicContact CG2-CE2 3.87Å; V104-Y112 HydrophobicContact CG2-CG 3.59Å; D108-Y112 HydrophobicContact CB-CE2 4.31Å; D108-Y112 VanDerWaalsContact O-CD2 3.26Å; D108-Y112 WeakPolarHBondContact O-CD2 3.39Å; Y112-S116 WeakPolarHBondContact O-CB 3.35Å; Y112-S116 PolarHBondContact O-N 3.09Å; Y112-S116 PolarHBondContact O-OG 3.35Å; Y112-L447 HydrophobicContact CD1-CB 4.48Å; Y112-L447 HydrophobicContact CD1-CD2 3.57Å; Y112-L447 HydrophobicContact CD1-CG 3.83Å; Y112-L447 HydrophobicContact CE1-CD2 3.9Å; Y112-L447 HydrophobicContact CE1-CG 4.31Å; Y112-V449 WeakPolarHBondContact CE1-O 3.28Å; Y112-D450 WeakPolarHBondContact OH-CA 3.4Å; Y112-D450 PolarHBondContact OH-OD1 3.01Å; Y112-V451 HydrophobicContact CE1-CG2 3.9Å; Y112-V451 PolarHBondContact OH-N 2.97Å
113	R	87.9	Confident	79.6	Confident	148 Å²	148	69.7 Å²	69.7	56%	0.558	38%	0.375	S	S	*	.	H	α-helix	trans	-61.3	-52.1	172.3	-172.7	-169.8	-46.7	-144.7	-0.5	111.5	M109 F111 V115 S116 E117	M109-R113 VanDerWaalsContact O-CB 3.25Å; M109-R113 WeakPolarHBondContact O-CB 3.34Å; M109-R113 PolarHBondContact O-N 3.17Å; F111-R113 VanDerWaalsContact C-N 3.3Å; F111-R113 PolarHBondContact O-N 3.15Å; R113-V115 VanDerWaalsContact C-N 3.3Å; R113-V115 PolarHBondContact O-N 3.25Å; R113-S116 WeakPolarHBondContact O-CB 3.48Å; R113-S116 PolarHBondContact O-N 3.28Å; R113-S116 VanDerWaalsContact O-N 3.08Å; R113-E117 WeakPolarHBondContact O-CG 3.23Å; R113-E117 PolarHBondContact O-N 3.09Å
114	N	88.7	Confident	78.5	Confident	43 Å²	43	74.9 Å²	74.9	23%	0.23	40%	0.397	C	S	.	.	H	α-helix	trans	-64	-36.4	-179.4	-66.2	-4.5	0	0	0	111.9	T110 F111 S118 G509 T511	T110-N114 VanDerWaalsContact O-CG 3.24Å; T110-N114 PolarHBondContact O-N 3Å; T110-N114 VanDerWaalsContact O-N 3.17Å; T110-N114 PolarHBondContact O-OD1 2.94Å; F111-N114 PolarHBondContact O-N 2.76Å; N114-S118 WeakPolarHBondContact O-CB 3.42Å; N114-S118 PolarHBondContact O-N 3.16Å; N114-S118 PolarHBondContact O-OG 3.48Å; N114-G509 VanDerWaalsContact ND2-CA 3.31Å; N114-G509 WeakPolarHBondContact ND2-CA 3.37Å; N114-G509 PolarHBondContact ND2-O 2.72Å; N114-T511 HydrophobicContact CB-CG2 3.72Å
115	V	87.9	Confident	77.9	Confident	4 Å²	4	75.3 Å²	75.3	2%	0.024	40%	0.403	C	S	.	.	H	α-helix	trans	-62	-48.6	171.9	171.3	0	0	0	0	110.2	F111 R113 E117 S118 L119 V129 L447 T511	F111-V115 HydrophobicContact CD1-CG2 4.47Å; F111-V115 HydrophobicContact CD2-CG2 4.11Å; F111-V115 HydrophobicContact CE1-CG2 3.97Å; F111-V115 HydrophobicContact CE2-CG2 3.56Å; F111-V115 HydrophobicContact CZ-CG2 3.47Å; F111-V115 VanDerWaalsContact CZ-CG2 3.47Å; F111-V115 WeakPolarHBondContact O-CG2 3.39Å; F111-V115 PolarHBondContact O-N 2.85Å; R113-V115 VanDerWaalsContact C-N 3.3Å; R113-V115 PolarHBondContact O-N 3.25Å; V115-E117 VanDerWaalsContact C-N 3.31Å; V115-E117 PolarHBondContact O-N 3.36Å; V115-S118 WeakPolarHBondContact CA-OG 3.34Å; V115-S118 PolarHBondContact O-N 3.41Å; V115-S118 PolarHBondContact O-OG 2.88Å; V115-L119 HydrophobicContact CG1-CD1 4.29Å; V115-L119 HydrophobicContact CG1-CG 4.48Å; V115-L119 WeakPolarHBondContact O-CG 3.46Å; V115-L119 PolarHBondContact O-N 3.24Å; V115-V129 HydrophobicContact CG1-CG1 3.89Å; V115-V129 HydrophobicContact CG1-CG2 3.84Å; V115-L447 HydrophobicContact CG1-CD2 4.16Å; V115-T511 HydrophobicContact CG2-CG2 3.8Å
116	S	87.3	Confident	78.4	Confident	22 Å²	22	75.8 Å²	75.8	15%	0.154	40%	0.403	C	S	.	.	H	α-helix	trans	-59.5	-40.8	179	-59.1	0	0	0	0	112.5	Y112 R113 L119 L447	Y112-S116 WeakPolarHBondContact O-CB 3.35Å; Y112-S116 PolarHBondContact O-N 3.09Å; Y112-S116 PolarHBondContact O-OG 3.35Å; R113-S116 WeakPolarHBondContact O-CB 3.48Å; R113-S116 PolarHBondContact O-N 3.28Å; R113-S116 VanDerWaalsContact O-N 3.08Å; S116-L119 PolarHBondContact O-N 2.93Å; S116-L447 PolarHBondContact OG-N 3.19Å
117	E	85.7	Confident	79.2	Confident	119 Å²	119	67.8 Å²	67.8	56%	0.556	37%	0.366	S	S	*	.	H	α-helix	trans	-64.5	-39.9	173.8	-71.1	173.4	-169.6	0	0	111.8	R113 V115 L119 Q120 P121	R113-E117 WeakPolarHBondContact O-CG 3.23Å; R113-E117 PolarHBondContact O-N 3.09Å; V115-E117 VanDerWaalsContact C-N 3.31Å; V115-E117 PolarHBondContact O-N 3.36Å; E117-L119 VanDerWaalsContact C-N 3.29Å; E117-L119 PolarHBondContact O-N 3.05Å; E117-Q120 PolarHBondContact O-N 2.73Å; E117-P121 VanDerWaalsContact O-CD 3.23Å; E117-P121 WeakPolarHBondContact O-CD 3.29Å
118	S	81.2	Confident	80.2	Confident	49 Å²	49	62.3 Å²	62.3	34%	0.343	33%	0.332	S	S	.	.	H	α-helix	trans	-69.6	-22.9	178.6	75.3	0	0	0	0	114.4	N114 V115 Q120 P121	N114-S118 WeakPolarHBondContact O-CB 3.42Å; N114-S118 PolarHBondContact O-N 3.16Å; N114-S118 PolarHBondContact O-OG 3.48Å; V115-S118 WeakPolarHBondContact CA-OG 3.34Å; V115-S118 PolarHBondContact O-N 3.41Å; V115-S118 PolarHBondContact O-OG 2.88Å; S118-Q120 VanDerWaalsContact C-N 3.3Å; S118-Q120 PolarHBondContact O-N 2.97Å; S118-P121 WeakPolarHBondContact O-CD 3.35Å
119	L	79.1	Confident	81.3	Confident	22 Å²	22	59.1 Å²	59.1	12%	0.115	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-19	177.3	-71.1	171.3	0	0	0	113.2	V115 S116 E117 A125 V129 L133	V115-L119 HydrophobicContact CG1-CD1 4.29Å; V115-L119 HydrophobicContact CG1-CG 4.48Å; V115-L119 WeakPolarHBondContact O-CG 3.46Å; V115-L119 PolarHBondContact O-N 3.24Å; S116-L119 PolarHBondContact O-N 2.93Å; E117-L119 VanDerWaalsContact C-N 3.29Å; E117-L119 PolarHBondContact O-N 3.05Å; L119-A125 HydrophobicContact CD2-CB 3.67Å; L119-V129 HydrophobicContact CD1-CG1 4.22Å; L119-V129 HydrophobicContact CD2-CG1 4.33Å; L119-L133 HydrophobicContact CD1-CD1 3.98Å; L119-L133 HydrophobicContact CD2-CD1 4.46Å
120	Q	68.9	Low	81.8	Confident	111 Å²	111	56.1 Å²	56.1	52%	0.519	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-50.4	178.7	-60.3	-62.3	-39.7	0	0	112.6	E117 S118 R445	E117-Q120 PolarHBondContact O-N 2.73Å; S118-Q120 VanDerWaalsContact C-N 3.3Å; S118-Q120 PolarHBondContact O-N 2.97Å; Q120-R445 PolarHBondContact NE2-O 3.31Å
121	P	62.5	Low	82	Confident	111 Å²	111	53.5 Å²	53.5	72%	0.721	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-22.7	177.9	31	-37	0	0	0	114.4	E117 S118	E117-P121 VanDerWaalsContact O-CD 3.23Å; E117-P121 WeakPolarHBondContact O-CD 3.29Å; S118-P121 WeakPolarHBondContact O-CD 3.35Å
122	N	62.7	Low	82.2	Confident	88 Å²	88	52.8 Å²	52.8	47%	0.471	28%	0.283	S	S	.	.			trans	-130.5	110.2	-178.5	-174	6.8	0	0	0	111.4	E124	N122-E124 VanDerWaalsContact C-N 3.26Å; N122-E124 PolarHBondContact O-N 3.45Å; N122-E124 PolarHBondContact OD1-N 2.9Å; N122-E124 VanDerWaalsContact OD1-N 3.07Å
123	P	61.2	Low	82.4	Confident	115 Å²	115	53 Å²	53	75%	0.747	29%	0.285	S	S	*	.			trans	-74.1	-14.7	179.6	29.8	-34.1	0	0	0	113.3	A125	P123-A125 PolarHBondContact O-N 3.19Å; P123-A125 VanDerWaalsContact O-N 3.1Å
124	E	68.4	Low	82.6	Confident	128 Å²	128	47.9 Å²	47.9	60%	0.598	27%	0.266	S	S	*	.			trans	-79.3	93.5	174.7	-69.4	-155.5	167.2	0	0	110.4	N122 K527	N122-E124 VanDerWaalsContact C-N 3.26Å; N122-E124 PolarHBondContact O-N 3.45Å; N122-E124 PolarHBondContact OD1-N 2.9Å; N122-E124 VanDerWaalsContact OD1-N 3.07Å; E124-K527 IonicContact OE1-NZ 3.28Å; E124-K527 PolarHBondContact OE1-NZ 3.22Å; E124-K527 IonicContact OE2-NZ 3.69Å; E124-K527 PolarHBondContact OE2-NZ 3.39Å
125	A	77.4	Confident	82.8	Confident	32 Å²	32	45.9 Å²	45.9	26%	0.264	26%	0.255	S	S	.	.			trans	-71	151.4	172.4	0	0	0	0	0	112.1	L119 P123 V129 A130	L119-A125 HydrophobicContact CD2-CB 3.67Å; P123-A125 PolarHBondContact O-N 3.19Å; P123-A125 VanDerWaalsContact O-N 3.1Å; A125-V129 HydrophobicContact CB-CB 4.14Å; A125-V129 HydrophobicContact CB-CG1 3.89Å; A125-A130 HydrophobicContact CB-CB 4.15Å
126	N	88.1	Confident	83.1	Confident	61 Å²	61	46.3 Å²	46.3	33%	0.326	26%	0.257	S	S	.	.			trans	-57.8	155.3	165.3	-64.7	-49	0	0	0	110.4	D128 V129 A130 S513	N126-D128 VanDerWaalsContact C-N 3.31Å; N126-D128 WeakPolarHBondContact CB-OD1 3.49Å; N126-D128 PolarHBondContact O-N 3.37Å; N126-V129 PolarHBondContact O-N 3.4Å; N126-A130 WeakPolarHBondContact O-CB 3.26Å; N126-A130 PolarHBondContact O-N 3.25Å; N126-S513 PolarHBondContact ND2-OG 2.95Å; N126-S513 PolarHBondContact OD1-OG 3.22Å
127	L	90.5	Very high	83.4	Confident	9 Å²	9	46.9 Å²	46.9	5%	0.047	26%	0.263	C	S	.	.	H	α-helix	trans	-57.7	-43.6	-169.2	179	59.8	0	0	0	112.6	A130 L131 I491 L495 F499 Q500 I526 L535	L127-A130 PolarHBondContact O-N 3.27Å; L127-L131 HydrophobicContact CD1-CD1 4.48Å; L127-L131 HydrophobicContact CG-CD1 4.45Å; L127-L131 WeakPolarHBondContact O-CG 3.31Å; L127-L131 PolarHBondContact O-N 3.24Å; L127-I491 HydrophobicContact CD2-CG2 4.07Å; L127-L495 HydrophobicContact CB-CD1 4.42Å; L127-L495 HydrophobicContact CD2-CD1 3.65Å; L127-L495 HydrophobicContact CG-CD1 3.88Å; L127-F499 HydrophobicContact CD2-CD1 4.41Å; L127-F499 HydrophobicContact CD2-CE1 4.27Å; L127-Q500 VanDerWaalsContact N-OE1 3.11Å; L127-I526 HydrophobicContact CD1-CG2 4.21Å; L127-I526 HydrophobicContact CD2-CG2 3.85Å; L127-L535 HydrophobicContact CD1-CD2 3.8Å
128	D	91.5	Very high	83.7	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-67	-42.1	179.4	65.5	-15.6	0	0	0	113.6	N126 A130 L131 A132 V451 L495 Q500 R502	N126-D128 VanDerWaalsContact C-N 3.31Å; N126-D128 WeakPolarHBondContact CB-OD1 3.49Å; N126-D128 PolarHBondContact O-N 3.37Å; D128-A130 VanDerWaalsContact C-N 3.33Å; D128-A130 PolarHBondContact O-N 2.87Å; D128-L131 PolarHBondContact O-N 3.27Å; D128-A132 WeakPolarHBondContact O-CB 3.17Å; D128-A132 PolarHBondContact O-N 2.77Å; D128-V451 HydrophobicContact CB-CG1 3.31Å; D128-V451 WeakPolarHBondContact OD2-CG1 3.47Å; D128-L495 HydrophobicContact CB-CD1 4.46Å; D128-L495 HydrophobicContact CB-CD2 3.61Å; D128-L495 HydrophobicContact CB-CG 3.87Å; D128-Q500 PolarHBondContact OD1-NE2 2.91Å; D128-Q500 PolarHBondContact OD2-NE2 3.22Å; D128-R502 IonicContact OD1-CZ 3.56Å; D128-R502 IonicContact OD1-NH2 3.41Å; D128-R502 PolarHBondContact OD1-NH2 3.16Å; D128-R502 IonicContact OD2-CZ 3.36Å; D128-R502 IonicContact OD2-NE 2.76Å; D128-R502 PolarHBondContact OD2-NE 3.44Å; D128-R502 IonicContact OD2-NH2 3.67Å; D128-R502 PolarHBondContact OD2-NH2 3.14Å
129	V	91.8	Very high	84.3	Confident	2 Å²	2	43 Å²	43	1%	0.012	24%	0.242	C	C	.	.	H	α-helix	trans	-63.2	-41.2	172.3	175.7	0	0	0	0	110.4	V115 L119 A125 N126 L131 A132 L133 L447 V451	V115-V129 HydrophobicContact CG1-CG1 3.89Å; V115-V129 HydrophobicContact CG1-CG2 3.84Å; L119-V129 HydrophobicContact CD1-CG1 4.22Å; L119-V129 HydrophobicContact CD2-CG1 4.33Å; A125-V129 HydrophobicContact CB-CB 4.14Å; A125-V129 HydrophobicContact CB-CG1 3.89Å; N126-V129 PolarHBondContact O-N 3.4Å; V129-L131 PolarHBondContact O-N 3.11Å; V129-A132 PolarHBondContact O-N 3.35Å; V129-L133 HydrophobicContact CG1-CD1 3.92Å; V129-L133 HydrophobicContact CG1-CG 4.23Å; V129-L133 WeakPolarHBondContact O-CB 3.34Å; V129-L133 VanDerWaalsContact O-CG 3.29Å; V129-L133 WeakPolarHBondContact O-CG 3.42Å; V129-L133 PolarHBondContact O-N 2.86Å; V129-L447 HydrophobicContact CG1-CD2 4.29Å; V129-L447 HydrophobicContact CG2-CD2 4.47Å; V129-V451 HydrophobicContact CG2-CG2 4.28Å
130	A	91.4	Very high	85.1	Confident	15 Å²	15	42.3 Å²	42.3	12%	0.124	24%	0.238	C	C	.	.	H	α-helix	trans	-64.2	-40.1	180	0	0	0	0	0	112.2	A125 N126 L127 D128 R134 Y528	A125-A130 HydrophobicContact CB-CB 4.15Å; N126-A130 WeakPolarHBondContact O-CB 3.26Å; N126-A130 PolarHBondContact O-N 3.25Å; L127-A130 PolarHBondContact O-N 3.27Å; D128-A130 VanDerWaalsContact C-N 3.33Å; D128-A130 PolarHBondContact O-N 2.87Å; A130-R134 PolarHBondContact O-N 2.84Å; A130-R134 VanDerWaalsContact O-N 3.11Å; A130-Y528 HydrophobicContact CB-CD1 3.82Å; A130-Y528 HydrophobicContact CB-CG 4.34Å
131	L	92.4	Very high	86.2	Confident	8 Å²	8	42.7 Å²	42.7	4%	0.042	24%	0.24	C	C	.	.	H	α-helix	trans	-69.6	-37.1	174.2	-64.7	174.1	0	0	0	111.9	L127 D128 V129 R134 D135 L495 Y528 L535	L127-L131 HydrophobicContact CD1-CD1 4.48Å; L127-L131 HydrophobicContact CG-CD1 4.45Å; L127-L131 WeakPolarHBondContact O-CG 3.31Å; L127-L131 PolarHBondContact O-N 3.24Å; D128-L131 PolarHBondContact O-N 3.27Å; V129-L131 PolarHBondContact O-N 3.11Å; L131-R134 WeakPolarHBondContact O-CB 3.39Å; L131-R134 PolarHBondContact O-N 3.46Å; L131-D135 PolarHBondContact O-N 3.1Å; L131-D135 VanDerWaalsContact O-N 3.13Å; L131-L495 HydrophobicContact CD1-CD2 3.59Å; L131-Y528 HydrophobicContact CD2-CD2 3.43Å; L131-Y528 VanDerWaalsContact CD2-CD2 3.43Å; L131-Y528 HydrophobicContact CD2-CE2 3.79Å; L131-Y528 HydrophobicContact CD2-CG 3.86Å; L131-L535 HydrophobicContact CD2-CD2 4.27Å
132	A	93.3	Very high	87.6	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.8	-42.4	174.6	0	0	0	0	0	112.2	D128 V129 R134 D135 Q136 L447 V449	D128-A132 WeakPolarHBondContact O-CB 3.17Å; D128-A132 PolarHBondContact O-N 2.77Å; V129-A132 PolarHBondContact O-N 3.35Å; A132-R134 VanDerWaalsContact C-N 3.34Å; A132-R134 PolarHBondContact O-N 2.86Å; A132-D135 PolarHBondContact O-N 3.34Å; A132-Q136 WeakPolarHBondContact O-CB 3.2Å; A132-Q136 PolarHBondContact O-N 3.28Å; A132-L447 HydrophobicContact CB-CD1 3.81Å; A132-V449 HydrophobicContact CB-CG2 4.17Å; A132-V449 WeakPolarHBondContact O-CG2 3.38Å
133	L	92.2	Very high	89.1	Confident	23 Å²	23	36.8 Å²	36.8	12%	0.12	21%	0.207	C	C	.	.	H	α-helix	trans	-65.5	-34.1	175.7	-72.5	172.4	0	0	0	112.8	L119 V129 A137 L447	L119-L133 HydrophobicContact CD1-CD1 3.98Å; L119-L133 HydrophobicContact CD2-CD1 4.46Å; V129-L133 HydrophobicContact CG1-CD1 3.92Å; V129-L133 HydrophobicContact CG1-CG 4.23Å; V129-L133 WeakPolarHBondContact O-CB 3.34Å; V129-L133 VanDerWaalsContact O-CG 3.29Å; V129-L133 WeakPolarHBondContact O-CG 3.42Å; V129-L133 PolarHBondContact O-N 2.86Å; L133-A137 WeakPolarHBondContact O-CB 3.47Å; L133-A137 PolarHBondContact O-N 3.45Å; L133-L447 HydrophobicContact CD2-CD1 4.03Å; L133-L447 HydrophobicContact CG-CD1 4.29Å
134	R	91.6	Very high	90.6	Very high	39 Å²	39	37.6 Å²	37.6	15%	0.147	20%	0.199	C	C	.	.	H	α-helix	trans	-59.9	-53.5	170.2	174.7	-153.3	55.2	-140.2	-4.2	110.1	A130 L131 A132 Q136 A137 L138 Y528	A130-R134 PolarHBondContact O-N 2.84Å; A130-R134 VanDerWaalsContact O-N 3.11Å; L131-R134 WeakPolarHBondContact O-CB 3.39Å; L131-R134 PolarHBondContact O-N 3.46Å; A132-R134 VanDerWaalsContact C-N 3.34Å; A132-R134 PolarHBondContact O-N 2.86Å; R134-Q136 VanDerWaalsContact C-N 3.32Å; R134-Q136 PolarHBondContact O-N 3.45Å; R134-A137 WeakPolarHBondContact O-CB 3.35Å; R134-A137 PolarHBondContact O-N 2.82Å; R134-A137 VanDerWaalsContact O-N 3.16Å; R134-L138 HydrophobicContact CG-CD1 4.42Å; R134-L138 PolarHBondContact O-N 3.24Å; R134-L138 VanDerWaalsContact O-N 3.1Å; R134-Y528 HydrophobicContact CB-CE1 4.02Å; R134-Y528 WeakPolarHBondContact CB-OH 3.45Å; R134-Y528 WeakPolarHBondContact CD-OH 3.38Å; R134-Y528 WeakPolarHBondContact CG-OH 3.5Å
135	D	94.1	Very high	91.7	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-62.6	-42.1	-176.6	-68.8	-10.1	0	0	0	110.4	W99 R101 L131 A132 A137 L138 L139 Y469	W99-D135 PolarHBondContact NE1-OD2 3.41Å; R101-D135 IonicContact CZ-OD2 3.08Å; R101-D135 VanDerWaalsContact CZ-OD2 3.26Å; R101-D135 IonicContact NE-OD2 2.98Å; R101-D135 PolarHBondContact NE-OD2 3.09Å; R101-D135 IonicContact NH2-OD2 2.68Å; R101-D135 PolarHBondContact NH2-OD2 3.49Å; L131-D135 PolarHBondContact O-N 3.1Å; L131-D135 VanDerWaalsContact O-N 3.13Å; A132-D135 PolarHBondContact O-N 3.34Å; D135-A137 PolarHBondContact O-N 3.4Å; D135-L138 PolarHBondContact O-N 2.91Å; D135-L139 WeakPolarHBondContact O-CB 3.49Å; D135-L139 PolarHBondContact O-N 2.84Å; D135-Y469 HydrophobicContact CB-CD1 4.08Å; D135-Y469 HydrophobicContact CB-CD2 4.39Å; D135-Y469 HydrophobicContact CB-CE1 3.69Å; D135-Y469 HydrophobicContact CB-CE2 4.06Å; D135-Y469 HydrophobicContact CB-CG 4.41Å; D135-Y469 WeakPolarHBondContact O-CE1 3.23Å; D135-Y469 PolarHBondContact O-OH 3.27Å
136	Q	94.1	Very high	92.3	Very high	14 Å²	14	33 Å²	33	7%	0.065	17%	0.171	C	C	.	.	H	α-helix	trans	-57.8	-43.7	172.4	-171.3	178.8	-69.6	0	0	112.9	A132 R134 L138 L139 F140 G446 V449	A132-Q136 WeakPolarHBondContact O-CB 3.2Å; A132-Q136 PolarHBondContact O-N 3.28Å; R134-Q136 VanDerWaalsContact C-N 3.32Å; R134-Q136 PolarHBondContact O-N 3.45Å; Q136-L138 VanDerWaalsContact C-N 3.31Å; Q136-L138 PolarHBondContact O-N 3.1Å; Q136-L139 WeakPolarHBondContact O-CB 3.42Å; Q136-L139 PolarHBondContact O-N 3.18Å; Q136-F140 HydrophobicContact CG-CD1 4.11Å; Q136-F140 HydrophobicContact CG-CD2 3.95Å; Q136-F140 HydrophobicContact CG-CE1 3.68Å; Q136-F140 HydrophobicContact CG-CE2 3.52Å; Q136-F140 HydrophobicContact CG-CG 4.26Å; Q136-F140 HydrophobicContact CG-CZ 3.38Å; Q136-F140 WeakPolarHBondContact O-CB 3.43Å; Q136-F140 WeakPolarHBondContact O-CD1 3.47Å; Q136-F140 VanDerWaalsContact O-CG 3.26Å; Q136-F140 WeakPolarHBondContact O-CG 3.25Å; Q136-F140 PolarHBondContact O-N 3.21Å; Q136-G446 PolarHBondContact NE2-O 3.15Å; Q136-V449 HydrophobicContact CB-CG1 4.26Å; Q136-V449 HydrophobicContact CB-CG2 3.78Å; Q136-V449 HydrophobicContact CG-CG1 4.26Å; Q136-V449 HydrophobicContact CG-CG2 4.38Å
137	A	92.6	Very high	92.3	Very high	33 Å²	33	33.5 Å²	33.5	27%	0.273	18%	0.179	S	C	.	.	H	α-helix	trans	-63	-40.2	178.9	0	0	0	0	0	111.5	L133 R134 D135 Q141	L133-A137 WeakPolarHBondContact O-CB 3.47Å; L133-A137 PolarHBondContact O-N 3.45Å; R134-A137 WeakPolarHBondContact O-CB 3.35Å; R134-A137 PolarHBondContact O-N 2.82Å; R134-A137 VanDerWaalsContact O-N 3.16Å; D135-A137 PolarHBondContact O-N 3.4Å; A137-Q141 WeakPolarHBondContact O-CB 3.29Å; A137-Q141 WeakPolarHBondContact O-CG 3.18Å; A137-Q141 PolarHBondContact O-N 2.81Å; A137-Q141 VanDerWaalsContact O-N 3.1Å
138	L	92.8	Very high	92.1	Very high	87 Å²	87	34.3 Å²	34.3	46%	0.455	18%	0.183	S	C	.	.	H	α-helix	trans	-65.7	-43.7	175	-66.6	173.9	0	0	0	111.6	R134 D135 Q136 Q141 S142 Y469	R134-L138 HydrophobicContact CG-CD1 4.42Å; R134-L138 PolarHBondContact O-N 3.24Å; R134-L138 VanDerWaalsContact O-N 3.1Å; D135-L138 PolarHBondContact O-N 2.91Å; Q136-L138 VanDerWaalsContact C-N 3.31Å; Q136-L138 PolarHBondContact O-N 3.1Å; L138-Q141 PolarHBondContact O-N 2.68Å; L138-S142 WeakPolarHBondContact O-CB 3.39Å; L138-S142 PolarHBondContact O-N 3.03Å; L138-S142 PolarHBondContact O-OG 2.81Å; L138-Y469 HydrophobicContact CB-CE1 4.2Å; L138-Y469 HydrophobicContact CD1-CD1 4.34Å
139	L	94.2	Very high	92	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-57.3	-51.6	175.7	179.6	62.9	0	0	0	111.3	D135 Q136 Q141 S142 I143 L392 V449 S466 F467 Y469	D135-L139 WeakPolarHBondContact O-CB 3.49Å; D135-L139 PolarHBondContact O-N 2.84Å; Q136-L139 WeakPolarHBondContact O-CB 3.42Å; Q136-L139 PolarHBondContact O-N 3.18Å; L139-Q141 VanDerWaalsContact C-N 3.29Å; L139-Q141 PolarHBondContact O-N 3.19Å; L139-S142 PolarHBondContact O-N 2.71Å; L139-S142 PolarHBondContact O-OG 2.93Å; L139-I143 HydrophobicContact CD1-CD1 3.77Å; L139-I143 HydrophobicContact CD1-CG1 4.28Å; L139-I143 HydrophobicContact CG-CD1 3.87Å; L139-I143 WeakPolarHBondContact O-CG1 3.45Å; L139-I143 PolarHBondContact O-N 3.14Å; L139-I143 VanDerWaalsContact O-N 3.07Å; L139-L392 HydrophobicContact CD2-CD2 3.62Å; L139-L392 HydrophobicContact CG-CD2 4.35Å; L139-V449 HydrophobicContact CD2-CG1 3.96Å; L139-S466 WeakPolarHBondContact CD1-O 3.33Å; L139-F467 HydrophobicContact CD1-CD1 4.08Å; L139-F467 HydrophobicContact CD1-CE1 4.16Å; L139-F467 HydrophobicContact CD2-CD1 4.05Å; L139-F467 HydrophobicContact CD2-CE1 3.96Å; L139-Y469 WeakPolarHBondContact CB-OH 3.06Å
140	F	94.8	Very high	91.7	Very high	7 Å²	7	37.1 Å²	37.1	3%	0.031	20%	0.202	C	C	.	.	H	α-helix	trans	-67.4	-30.7	-176.1	-68.4	1	0	0	0	112.7	Q136 V388 L392 L436 A437 I440 F448	Q136-F140 HydrophobicContact CG-CD1 4.11Å; Q136-F140 HydrophobicContact CG-CD2 3.95Å; Q136-F140 HydrophobicContact CG-CE1 3.68Å; Q136-F140 HydrophobicContact CG-CE2 3.52Å; Q136-F140 HydrophobicContact CG-CG 4.26Å; Q136-F140 HydrophobicContact CG-CZ 3.38Å; Q136-F140 WeakPolarHBondContact O-CB 3.43Å; Q136-F140 WeakPolarHBondContact O-CD1 3.47Å; Q136-F140 VanDerWaalsContact O-CG 3.26Å; Q136-F140 WeakPolarHBondContact O-CG 3.25Å; Q136-F140 PolarHBondContact O-N 3.21Å; F140-V388 HydrophobicContact CE1-CG1 4.06Å; F140-V388 HydrophobicContact CE2-CG1 4.42Å; F140-V388 HydrophobicContact CZ-CG1 3.55Å; F140-V388 HydrophobicContact CZ-CG2 4.47Å; F140-L392 HydrophobicContact CE1-CD1 4.44Å; F140-L392 HydrophobicContact CE1-CD2 4.18Å; F140-L436 HydrophobicContact CB-CB 4.36Å; F140-L436 HydrophobicContact CB-CD2 4.43Å; F140-L436 HydrophobicContact CB-CG 4.36Å; F140-L436 HydrophobicContact CD1-CD2 3.45Å; F140-L436 VanDerWaalsContact CD1-CD2 3.45Å; F140-L436 HydrophobicContact CD1-CG 4.2Å; F140-L436 HydrophobicContact CE1-CD2 3.73Å; F140-L436 HydrophobicContact CG-CD2 3.93Å; F140-L436 HydrophobicContact CG-CG 4.16Å; F140-L436 HydrophobicContact CZ-CD2 4.39Å; F140-L436 PolarHBondContact O-N 2.8Å; F140-A437 HydrophobicContact CB-CB 3.95Å; F140-A437 PolarHBondContact O-N 3.06Å; F140-I440 HydrophobicContact CD2-CD1 3.32Å; F140-I440 HydrophobicContact CD2-CG1 4.42Å; F140-I440 HydrophobicContact CE2-CD1 3.26Å; F140-I440 HydrophobicContact CG-CD1 4.44Å; F140-I440 HydrophobicContact CZ-CD1 4.37Å; F140-F448 HydrophobicContact CE2-CD2 4.23Å; F140-F448 HydrophobicContact CZ-CB 4.22Å; F140-F448 AromaticContact CZ-CD2 3.95Å; F140-F448 HydrophobicContact CZ-CD2 3.95Å; F140-F448 HydrophobicContact CZ-CG 4.36Å
141	Q	93.5	Very high	91.3	Very high	119 Å²	119	40.2 Å²	40.2	56%	0.556	21%	0.214	S	C	*	.	H	α-helix	trans	-73	-30.2	172.1	-72.7	170.6	15.5	0	0	112.6	A137 L138 L139 T435 A437	A137-Q141 WeakPolarHBondContact O-CB 3.29Å; A137-Q141 WeakPolarHBondContact O-CG 3.18Å; A137-Q141 PolarHBondContact O-N 2.81Å; A137-Q141 VanDerWaalsContact O-N 3.1Å; L138-Q141 PolarHBondContact O-N 2.68Å; L139-Q141 VanDerWaalsContact C-N 3.29Å; L139-Q141 PolarHBondContact O-N 3.19Å; Q141-T435 WeakPolarHBondContact O-CG2 3.48Å; Q141-A437 HydrophobicContact CG-CB 4.02Å
142	S	92.1	Very high	91	Very high	69 Å²	69	41 Å²	41	48%	0.483	22%	0.217	S	C	.	.	H	α-helix	trans	-77.9	-30	-179.3	74.6	0	0	0	0	113.2	L138 L139 K144	L138-S142 WeakPolarHBondContact O-CB 3.39Å; L138-S142 PolarHBondContact O-N 3.03Å; L138-S142 PolarHBondContact O-OG 2.81Å; L139-S142 PolarHBondContact O-N 2.71Å; L139-S142 PolarHBondContact O-OG 2.93Å; S142-K144 PolarHBondContact O-N 2.7Å
143	I	92.4	Very high	90.8	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.031	22%	0.224	C	C	.	.			trans	-80.4	114.4	-178.3	-64.6	167	0	0	0	110.1	L139 I148 T391 L392 T435 L436	L139-I143 HydrophobicContact CD1-CD1 3.77Å; L139-I143 HydrophobicContact CD1-CG1 4.28Å; L139-I143 HydrophobicContact CG-CD1 3.87Å; L139-I143 WeakPolarHBondContact O-CG1 3.45Å; L139-I143 PolarHBondContact O-N 3.14Å; L139-I143 VanDerWaalsContact O-N 3.07Å; I143-I148 HydrophobicContact CG2-CD1 3.36Å; I143-I148 HydrophobicContact CG2-CG1 4.44Å; I143-T391 HydrophobicContact CD1-CG2 4.37Å; I143-T391 HydrophobicContact CG2-CG2 3.55Å; I143-L392 HydrophobicContact CD1-CD2 4.3Å; I143-T435 CarbonylContact O-C 3.46Å; I143-T435 WeakPolarHBondContact O-CA 3.39Å; I143-T435 WeakPolarHBondContact O-CB 3.49Å; I143-L436 HydrophobicContact CB-CB 4.21Å; I143-L436 HydrophobicContact CD1-CD2 4.22Å; I143-L436 HydrophobicContact CG2-CB 4.31Å; I143-L436 PolarHBondContact O-N 3.32Å
144	K	92.8	Very high	90.5	Very high	132 Å²	132	45.8 Å²	45.8	57%	0.574	24%	0.24	S	C	*	.	B	Isolated β-bridge	trans	-88.9	127.7	172.4	-63.1	-175.3	178.4	-175.6	0	110.2	S142 K146 S147	S142-K144 PolarHBondContact O-N 2.7Å; K144-K146 VanDerWaalsContact C-N 3.26Å; K144-K146 PolarHBondContact O-N 3.48Å; K144-S147 PolarHBondContact O-N 2.89Å; K144-S147 PolarHBondContact O-OG 3.28Å
145	M	92.3	Very high	89.7	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-61.5	-37.1	-179.6	-63.6	-55.5	-72.5	0	0	111.8	S147 I148 F149 M153 T391 F430 A434 L436 V439	M145-S147 PolarHBondContact O-N 3.22Å; M145-I148 PolarHBondContact O-N 3.39Å; M145-I148 VanDerWaalsContact O-N 3.13Å; M145-F149 HydrophobicContact CE-CD2 3.67Å; M145-F149 HydrophobicContact CE-CE2 3.96Å; M145-F149 PolarHBondContact O-N 3.31Å; M145-M153 HydrophobicContact CB-CE 3.93Å; M145-T391 HydrophobicContact SD-CG2 4.42Å; M145-F430 HydrophobicContact CB-CB 4.4Å; M145-F430 HydrophobicContact CB-CD2 4.25Å; M145-F430 HydrophobicContact CB-CG 4.27Å; M145-F430 HydrophobicContact CE-CD2 4.22Å; M145-F430 HydrophobicContact CE-CE1 3.99Å; M145-F430 HydrophobicContact CE-CE2 3.67Å; M145-F430 HydrophobicContact CE-CZ 3.54Å; M145-F430 HydrophobicContact CG-CG 4.48Å; M145-A434 HydrophobicContact CG-CB 4.46Å; M145-A434 PolarHBondContact N-O 3.45Å; M145-L436 HydrophobicContact SD-CB 4.21Å; M145-L436 HydrophobicContact SD-CD1 4.22Å; M145-V439 HydrophobicContact CE-CG2 4.38Å; M145-V439 HydrophobicContact CG-CG2 3.69Å; M145-V439 HydrophobicContact SD-CG2 4.23Å
146	K	90.1	Very high	88.3	Confident	63 Å²	63	60.2 Å²	60.2	27%	0.274	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-58	-27.5	175.2	-176.8	174.4	177.3	173.3	0	114.3	K144 M153 E171	K144-K146 VanDerWaalsContact C-N 3.26Å; K144-K146 PolarHBondContact O-N 3.48Å; K146-M153 HydrophobicContact CB-CE 4.49Å; K146-M153 HydrophobicContact CB-CG 4.43Å; K146-M153 HydrophobicContact CB-SD 3.86Å; K146-M153 HydrophobicContact CG-CG 4.4Å; K146-M153 HydrophobicContact CG-SD 4.43Å; K146-E171 IonicContact NZ-OE2 2.74Å; K146-E171 PolarHBondContact NZ-OE2 3.3Å
147	S	87.2	Confident	86.1	Confident	71 Å²	71	65.3 Å²	65.3	50%	0.497	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-86	-8.9	-178.9	73.5	0	0	0	0	113.9	K144 M145 K398	K144-S147 PolarHBondContact O-N 2.89Å; K144-S147 PolarHBondContact O-OG 3.28Å; M145-S147 PolarHBondContact O-N 3.22Å; S147-K398 PolarHBondContact O-NZ 3.01Å
148	I	86.8	Confident	83.8	Confident	26 Å²	26	68.6 Å²	68.6	13%	0.133	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-42	179	-59.6	177.8	0	0	0	110.5	I143 M145 T391 C394	I143-I148 HydrophobicContact CG2-CD1 3.36Å; I143-I148 HydrophobicContact CG2-CG1 4.44Å; M145-I148 PolarHBondContact O-N 3.39Å; M145-I148 VanDerWaalsContact O-N 3.13Å; I148-T391 HydrophobicContact CD1-CG2 3.56Å; I148-C394 HydrophobicContact CG2-CB 3.55Å
149	F	89.1	Confident	80.9	Confident	2 Å²	2	69.1 Å²	69.1	1%	0.009	38%	0.381	C	S	.	.			trans	-129.6	62.9	-174.8	-54.5	-67.1	0	0	0	112.7	M145 E151 M152 M153 A390 Y423 F425	M145-F149 HydrophobicContact CE-CD2 3.67Å; M145-F149 HydrophobicContact CE-CE2 3.96Å; M145-F149 PolarHBondContact O-N 3.31Å; F149-E151 PolarHBondContact O-N 2.86Å; F149-M152 HydrophobicContact CB-CB 4.46Å; F149-M152 HydrophobicContact CB-CE 3.45Å; F149-M152 VanDerWaalsContact CB-CE 3.45Å; F149-M152 HydrophobicContact CD1-CE 3.47Å; F149-M152 VanDerWaalsContact CD1-CE 3.47Å; F149-M152 HydrophobicContact CD2-CE 4.37Å; F149-M152 HydrophobicContact CE1-CE 4.3Å; F149-M152 HydrophobicContact CG-CE 3.5Å; F149-M152 PolarHBondContact O-N 2.57Å; F149-M153 WeakPolarHBondContact O-CE 3.48Å; F149-A390 HydrophobicContact CZ-CB 4.46Å; F149-Y423 HydrophobicContact CD1-CD2 4.02Å; F149-Y423 HydrophobicContact CD1-CE2 4.49Å; F149-Y423 HydrophobicContact CE1-CD1 4.45Å; F149-Y423 AromaticContact CE1-CD2 3.51Å; F149-Y423 HydrophobicContact CE1-CD2 3.51Å; F149-Y423 AromaticContact CE1-CE2 3.7Å; F149-Y423 HydrophobicContact CE1-CE2 3.7Å; F149-Y423 AromaticContact CE1-CG 3.91Å; F149-Y423 HydrophobicContact CE1-CG 3.91Å; F149-F425 HydrophobicContact CD1-CE2 4.12Å; F149-F425 AromaticContact CD2-CE2 3.96Å; F149-F425 HydrophobicContact CD2-CE2 3.96Å; F149-F425 AromaticContact CE1-CE2 3.97Å; F149-F425 HydrophobicContact CE1-CE2 3.97Å; F149-F425 HydrophobicContact CE1-CZ 4.12Å; F149-F425 AromaticContact CE2-CE2 3.8Å; F149-F425 HydrophobicContact CE2-CE2 3.8Å; F149-F425 AromaticContact CE2-CZ 3.95Å; F149-F425 HydrophobicContact CE2-CZ 3.95Å; F149-F425 HydrophobicContact CG-CE2 4.11Å; F149-F425 AromaticContact CZ-CE2 3.81Å; F149-F425 HydrophobicContact CZ-CE2 3.81Å; F149-F425 AromaticContact CZ-CZ 3.7Å; F149-F425 HydrophobicContact CZ-CZ 3.7Å
150	P	85.7	Confident	78.1	Confident	63 Å²	63	74.6 Å²	74.6	41%	0.409	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-59	-29.3	-177.6	25.2	-35	0	0	0	113.9	M152 M153	P150-M152 VanDerWaalsContact C-N 3.27Å; P150-M152 PolarHBondContact O-N 3Å; P150-M153 WeakPolarHBondContact O-CG 2.99Å
151	E	83.1	Confident	75.4	Confident	81 Å²	81	82.3 Å²	82.3	38%	0.379	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-71.2	-16.6	-179.3	67.5	-70	161.6	0	0	114.3	F149	F149-E151 PolarHBondContact O-N 2.86Å
152	M	85.9	Confident	72.3	Confident	24 Å²	24	83.9 Å²	83.9	12%	0.118	47%	0.469	C	S	.	.	G	3₁₀ helix	trans	-103.7	19.1	-178.8	-71.2	-173.4	-75.9	0	0	113.3	F149 P150 F425 A428 P429 F430	F149-M152 HydrophobicContact CB-CB 4.46Å; F149-M152 HydrophobicContact CB-CE 3.45Å; F149-M152 VanDerWaalsContact CB-CE 3.45Å; F149-M152 HydrophobicContact CD1-CE 3.47Å; F149-M152 VanDerWaalsContact CD1-CE 3.47Å; F149-M152 HydrophobicContact CD2-CE 4.37Å; F149-M152 HydrophobicContact CE1-CE 4.3Å; F149-M152 HydrophobicContact CG-CE 3.5Å; F149-M152 PolarHBondContact O-N 2.57Å; P150-M152 VanDerWaalsContact C-N 3.27Å; P150-M152 PolarHBondContact O-N 3Å; M152-F425 HydrophobicContact CE-CD2 3.37Å; M152-F425 HydrophobicContact CE-CE2 3.26Å; M152-F425 HydrophobicContact CE-CZ 4.49Å; M152-F425 HydrophobicContact SD-CD2 3.52Å; M152-F425 VanDerWaalsContact SD-CD2 3.52Å; M152-F425 HydrophobicContact SD-CE2 4.06Å; M152-A428 HydrophobicContact CB-CB 4.23Å; M152-A428 HydrophobicContact SD-CB 4.23Å; M152-P429 CarbonylContact O-C 3.53Å; M152-P429 VanDerWaalsContact O-CA 3.29Å; M152-P429 WeakPolarHBondContact O-CA 3.4Å; M152-F430 HydrophobicContact CB-CD2 3.95Å; M152-F430 HydrophobicContact CB-CE2 3.98Å; M152-F430 HydrophobicContact CE-CE2 4.45Å; M152-F430 PolarHBondContact O-N 2.98Å
153	M	88.6	Confident	69.9	Low	30 Å²	30	85.4 Å²	85.4	15%	0.148	48%	0.48	C	S	.	.	B	Isolated β-bridge	trans	-80.6	150.6	175.6	-61.8	-61.4	110.7	0	0	111.3	M145 K146 F149 P150 E155 F430	M145-M153 HydrophobicContact CB-CE 3.93Å; K146-M153 HydrophobicContact CB-CE 4.49Å; K146-M153 HydrophobicContact CB-CG 4.43Å; K146-M153 HydrophobicContact CB-SD 3.86Å; K146-M153 HydrophobicContact CG-CG 4.4Å; K146-M153 HydrophobicContact CG-SD 4.43Å; F149-M153 WeakPolarHBondContact O-CE 3.48Å; P150-M153 WeakPolarHBondContact O-CG 2.99Å; M153-E155 PolarHBondContact O-N 2.83Å; M153-F430 CarbonylContact C-O 3.38Å; M153-F430 WeakPolarHBondContact CA-O 3.5Å; M153-F430 HydrophobicContact CE-CB 3.63Å; M153-F430 HydrophobicContact CE-CD2 3.61Å; M153-F430 HydrophobicContact CE-CG 4.07Å; M153-F430 HydrophobicContact SD-CB 4.08Å
154	Q	86.1	Confident	66.8	Low	94 Å²	94	92.4 Å²	92.4	44%	0.439	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-61.3	133.4	169.9	-72.9	173	18.2	0	0	110	E156 P429 F430	Q154-E156 PolarHBondContact O-N 3.17Å; Q154-P429 HydrophobicContact CG-CB 3.7Å; Q154-P429 HydrophobicContact CG-CG 3.72Å; Q154-P429 PolarHBondContact NE2-O 3.46Å; Q154-F430 WeakPolarHBondContact CG-O 3.31Å; Q154-F430 PolarHBondContact N-O 2.84Å
155	E	75.5	Confident	64.2	Low	188 Å²	188	90 Å²	90	88%	0.879	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-66	122.2	171	-65.2	-170.5	168	0	0	109.2	M153	M153-E155 PolarHBondContact O-N 2.83Å
156	E	65.8	Low	61.1	Low	155 Å²	155	95.3 Å²	95.3	72%	0.724	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-67.3	130.2	175.1	-67.6	-140.4	149.9	0	0	109.9	Q154 A158	Q154-E156 PolarHBondContact O-N 3.17Å; E156-A158 PolarHBondContact O-N 3.3Å; E156-A158 VanDerWaalsContact O-N 3.15Å
157	P	47.2	Very low	58.1	Low	121 Å²	121	97.1 Å²	97.1	79%	0.786	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-62.9	122.3	175.6	24.1	-30.8	0	0	0	109.2	S159	P157-S159 PolarHBondContact O-N 3.43Å
158	A	44.9	Very low	55.2	Low	102 Å²	102	100.5 Å²	100.5	84%	0.843	60%	0.595	S	S	*	*			trans	-57.6	103.1	172.7	0	0	0	0	0	109.5	E156	E156-A158 PolarHBondContact O-N 3.3Å; E156-A158 VanDerWaalsContact O-N 3.15Å
159	S	31.2	Very low	52.3	Low	98 Å²	98	104.6 Å²	104.6	69%	0.685	63%	0.626	S	S	*	*			trans	-60.6	136.2	175	57.6	0	0	0	0	109.9	P157 N161	P157-S159 PolarHBondContact O-N 3.43Å; S159-N161 PolarHBondContact O-N 3.05Å
160	P	35.8	Very low	49.4	Very low	115 Å²	115	110.3 Å²	110.3	75%	0.747	66%	0.661	S	S	*	*			trans	-64.2	129.6	179	25	-31.3	0	0	0	110.4	I162	P160-I162 PolarHBondContact O-N 2.88Å
161	N	36.5	Very low	46.6	Very low	169 Å²	169	113.2 Å²	113.2	90%	0.904	67%	0.669	S	S	*	*			trans	-46.4	107.6	177.4	-71.7	-49.2	0	0	0	112.1	S159	S159-N161 PolarHBondContact O-N 3.05Å
162	I	29.5	Very low	43.9	Very low	152 Å²	152	116.4 Å²	116.4	78%	0.779	69%	0.688	S	S	*	*			trans	-110.1	107.7	153.7	-60.1	179.8	0	0	0	106.2	P160 N164	P160-I162 PolarHBondContact O-N 2.88Å; I162-N164 PolarHBondContact O-N 2.84Å
163	S	41.2	Very low	41.2	Very low	102 Å²	102	120.2 Å²	120.2	71%	0.713	71%	0.713	S	S	*	*			trans	-56.8	103.3	167.9	52.5	0	0	0	0	109.8
164	N	28.6	Very low	38.2	Very low	153 Å²	153	123.6 Å²	123.6	82%	0.818	74%	0.74	S	S	*	*	S	Bend	trans	174.8	120.5	135.4	-90.8	-8.4	0	0	0	110.9	I162	I162-N164 PolarHBondContact O-N 2.84Å
165	G	37.2	Very low	35.2	Very low	82 Å²	82	123.4 Å²	123.4	85%	0.845	75%	0.748	S	S	*	*			trans	72.9	69.7	157.3	0	0	0	0	0	116.1
166	V	26.3	Very low	32.9	Very low	110 Å²	110	120.2 Å²	120.2	67%	0.667	75%	0.746	S	S	*	*			trans	-93.1	110.8	175.3	174.8	0	0	0	0	110.4	N168	V166-N168 VanDerWaalsContact CG1-CG 3.46Å; V166-N168 WeakPolarHBondContact CG1-OD1 3.4Å
167	S	27.9	Very low	31.2	Very low	102 Å²	102	118.3 Å²	118.3	71%	0.713	75%	0.75	S	S	*	*			trans	-79.5	111	157.7	51.8	0	0	0	0	108.7
168	N	25.9	Very low	30.3	Very low	141 Å²	141	118.7 Å²	118.7	75%	0.754	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-98.5	123.4	175.1	-80.9	-23	0	0	0	110.9	V166	V166-N168 VanDerWaalsContact CG1-CG 3.46Å; V166-N168 WeakPolarHBondContact CG1-OD1 3.4Å
169	S	25.9	Very low	29.4	Very low	113 Å²	113	119.8 Å²	119.8	79%	0.79	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-73.4	126.6	166.1	45.8	0	0	0	0	110.2
170	V	27.9	Very low	29.2	Very low	121 Å²	121	116.8 Å²	116.8	73%	0.733	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-80.7	116.1	174.1	-128.9	0	0	0	0	108.6
171	E	27.4	Very low	28.6	Very low	124 Å²	124	119.7 Å²	119.7	58%	0.579	73%	0.734	S	S	*	*			trans	-95.3	114.8	159.9	-73.1	-169.6	156.1	0	0	108.2	K146 T173	K146-E171 IonicContact NZ-OE2 2.74Å; K146-E171 PolarHBondContact NZ-OE2 3.3Å; E171-T173 PolarHBondContact O-N 2.9Å
172	D	27	Very low	28.1	Very low	148 Å²	148	120.1 Å²	120.1	79%	0.791	73%	0.728	S	S	*	*			trans	-71.6	105.6	170.7	-84.4	-32.8	0	0	0	109.9
173	T	29.3	Very low	27.9	Very low	104 Å²	104	118.9 Å²	118.9	64%	0.638	73%	0.728	S	S	*	*			trans	-99.4	94	152	-55.1	0	0	0	0	106.5	E171	E171-T173 PolarHBondContact O-N 2.9Å
174	S	25.3	Very low	27.2	Very low	102 Å²	102	121.9 Å²	121.9	71%	0.713	73%	0.73	S	S	*	*			trans	-104.9	125.5	169.8	61.6	0	0	0	0	109.8
175	C	23.5	Very low	27	Very low	89 Å²	89	119.7 Å²	119.7	60%	0.601	72%	0.719	S	S	*	*			trans	-74.5	126.7	163.8	-85	0	0	0	0	109.1
176	S	27.4	Very low	26.7	Very low	121 Å²	121	123.8 Å²	123.8	85%	0.846	72%	0.716	S	S	*	*	S	Bend	trans	0.8	108.5	166.2	-166.5	0	0	0	0	118.6
177	S	30.2	Very low	26.6	Very low	115 Å²	115	124.2 Å²	124.2	80%	0.804	71%	0.705	S	S	*	*			trans	-166.4	87.3	132.6	171	0	0	0	0	106.6
178	D	27.4	Very low	26.5	Very low	130 Å²	130	123.3 Å²	123.3	70%	0.695	70%	0.704	S	S	*	*			trans	-126.1	107.3	-176.1	-141.5	0.7	0	0	0	112.3
179	C	25.4	Very low	26.5	Very low	124 Å²	124	125.1 Å²	125.1	84%	0.838	71%	0.708	S	S	*	*			trans	-92.1	92.2	157.9	53.9	0	0	0	0	108.1
180	G	27.2	Very low	26.5	Very low	35 Å²	35	127 Å²	127	36%	0.361	71%	0.706	S	S	.	*			trans	42.9	117.1	152.1	0	0	0	0	0	121.3
181	E	24.3	Very low	26.6	Very low	176 Å²	176	130.5 Å²	130.5	82%	0.822	71%	0.714	S	S	*	*				-166	119.7	113.8	-136.9	174.3	179.9	0	0	109.8
182	F	25.8	Very low	26.6	Very low	179 Å²	179	127.3 Å²	127.3	79%	0.785	71%	0.714	S	S	*	*			trans	-127.3	110.9	161.5	-94.4	-77.4	0	0	0	110.2
183	T	25.5	Very low	26.7	Very low	126 Å²	126	130.1 Å²	130.1	77%	0.773	72%	0.719	S	S	*	*			trans	-95	131	143.9	46.3	0	0	0	0	109
184	E	25.4	Very low	26.7	Very low	165 Å²	165	134.4 Å²	134.4	77%	0.771	73%	0.732	S	S	*	*	S	Bend	trans	3.7	128.5	157.1	-71	179.3	142.4	0	0	119.4
185	N	25.6	Very low	27.1	Very low	107 Å²	107	135.5 Å²	135.5	57%	0.572	73%	0.73	S	S	*	*	S	Bend	trans	76.5	110.2	147.5	-62.3	-35.5	0	0	0	118.9	W625	N185-W625 HydrophobicContact CB-CH2 4.19Å; N185-W625 HydrophobicContact CB-CZ2 4.07Å; N185-W625 VanDerWaalsContact O-CZ2 3.29Å; N185-W625 WeakPolarHBondContact O-CZ2 3.49Å
186	H	29.3	Very low	28.1	Very low	168 Å²	168	134.2 Å²	134.2	78%	0.778	72%	0.721	S	S	*	*			trans	27.5	104.8	149.8	-71.7	-69.4	0	0	0	118.5	W625	H186-W625 WeakPolarHBondContact O-CZ2 3.49Å
187	R	25.8	Very low	28.7	Very low	119 Å²	119	135.3 Å²	135.3	45%	0.449	71%	0.713	S	S	.	*			trans	-143.6	106	159.4	-118.5	173.8	-155.9	-144.8	8.3	112.8	K615 S623 S624 W625	R187-K615 HydrophobicContact CG-CD 3.92Å; R187-K615 VanDerWaalsContact CG-NZ 3.26Å; R187-S623 PolarHBondContact NH1-O 2.95Å; R187-S623 PolarHBondContact NH2-O 3.03Å; R187-S624 VanDerWaalsContact NH2-C 3.27Å; R187-W625 VanDerWaalsContact NH2-N 3.14Å
188	A	25.6	Very low	29.3	Very low	82 Å²	82	137.4 Å²	137.4	68%	0.678	71%	0.71	S	S	*	*			trans	-61.7	129.1	150.8	0	0	0	0	0	109.7	K615	A188-K615 PolarHBondContact O-NZ 3.25Å
189	E	25.5	Very low	30	Very low	180 Å²	180	135.8 Å²	135.8	84%	0.841	70%	0.699	S	S	*	*			trans	-89.3	134.8	165.6	-71.7	-170	149.7	0	0	109.5
190	M	26.7	Very low	30.9	Very low	152 Å²	152	133.2 Å²	133.2	75%	0.749	68%	0.679	S	S	*	*			trans	-131.1	135.9	164.9	-171.8	-177.9	-174.9	0	0	107	G192	M190-G192 PolarHBondContact O-N 3.14Å
191	E	29.3	Very low	31.5	Very low	194 Å²	194	135.8 Å²	135.8	91%	0.907	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-50.4	125.5	-175.9	-65.3	175.9	142	0	0	113.3
192	G	26.5	Very low	32.4	Very low	57 Å²	57	132.2 Å²	132.2	59%	0.588	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-102.2	125.6	167.1	0	0	0	0	0	110.1	M190	M190-G192 PolarHBondContact O-N 3.14Å
193	K	29.9	Very low	33	Very low	207 Å²	207	130.1 Å²	130.1	90%	0.9	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-57	128.5	173.5	-144.6	173.7	-175	180	0	110.2	L195	K193-L195 PolarHBondContact O-N 3.22Å
194	E	29.5	Very low	33.6	Very low	194 Å²	194	128 Å²	128	91%	0.907	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-58.2	129.5	177	-74	177.3	152.9	0	0	111.3
195	L	33	Very low	34.3	Very low	126 Å²	126	128.5 Å²	128.5	66%	0.66	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-73.8	147.2	170.8	-73.6	151.7	0	0	0	109.5	K193 E199	K193-L195 PolarHBondContact O-N 3.22Å; L195-E199 WeakPolarHBondContact CD2-OE2 3.21Å
196	S	44.9	Very low	34.9	Very low	61 Å²	61	130.2 Å²	130.2	43%	0.427	68%	0.675	S	S	.	*	P	Polyproline II helix	trans	-75.1	155.2	-177.4	72.5	0	0	0	0	111.8	E198 E199	S196-E198 PolarHBondContact O-N 3.43Å; S196-E199 PolarHBondContact N-OE2 3.12Å; S196-E199 PolarHBondContact O-N 3.13Å
197	Q	41.2	Very low	35.7	Very low	145 Å²	145	126 Å²	126	68%	0.678	68%	0.677	S	S	*	*	H	α-helix	trans	-53.7	-24.8	-178.1	-165.6	68.8	40.6	0	0	113.5	T200	Q197-T200 VanDerWaalsContact C-OG1 3.23Å; Q197-T200 WeakPolarHBondContact CA-OG1 3.47Å; Q197-T200 PolarHBondContact O-OG1 3.02Å
198	E	41	Very low	36.4	Very low	158 Å²	158	125.5 Å²	125.5	74%	0.738	69%	0.692	S	S	*	*	H	α-helix	trans	-76.2	-28.4	179.2	-64.6	179.2	171.1	0	0	112.8	S196	S196-E198 PolarHBondContact O-N 3.43Å
199	E	43.6	Very low	36.8	Very low	97 Å²	97	128.4 Å²	128.4	45%	0.453	70%	0.701	S	S	.	*	H	α-helix	trans	-78.7	-30.5	178.5	-66.1	176.5	126.6	0	0	111.7	L195 S196 L203	L195-E199 WeakPolarHBondContact CD2-OE2 3.21Å; S196-E199 PolarHBondContact N-OE2 3.12Å; S196-E199 PolarHBondContact O-N 3.13Å; E199-L203 PolarHBondContact O-N 3.45Å
200	T	44.3	Very low	37.5	Very low	69 Å²	69	123.9 Å²	123.9	42%	0.423	69%	0.694	S	S	.	*	H	α-helix	trans	-66.3	-35.5	172	30.3	0	0	0	0	113.2	Q197 V202 L203 A204	Q197-T200 VanDerWaalsContact C-OG1 3.23Å; Q197-T200 WeakPolarHBondContact CA-OG1 3.47Å; Q197-T200 PolarHBondContact O-OG1 3.02Å; T200-V202 VanDerWaalsContact C-N 3.33Å; T200-V202 PolarHBondContact O-N 3.44Å; T200-L203 PolarHBondContact O-N 2.81Å; T200-A204 PolarHBondContact O-N 3Å; T200-A204 VanDerWaalsContact O-N 3.11Å
201	D	39.7	Very low	38	Very low	90 Å²	90	119.6 Å²	119.6	48%	0.481	68%	0.679	S	S	.	*	H	α-helix	trans	-76.3	-20.7	-178.5	-76.3	-6.9	0	0	0	113.2
202	V	41.9	Very low	38.6	Very low	100 Å²	100	115.9 Å²	115.9	61%	0.606	67%	0.67	S	S	*	*	H	α-helix	trans	-80	-36.1	172.9	176.7	0	0	0	0	111.2	T200 K205	T200-V202 VanDerWaalsContact C-N 3.33Å; T200-V202 PolarHBondContact O-N 3.44Å; V202-K205 PolarHBondContact O-N 3.26Å
203	L	39.8	Very low	39.2	Very low	135 Å²	135	120.1 Å²	120.1	71%	0.707	67%	0.674	S	S	*	*	H	α-helix	trans	-70.3	-35.3	175.6	-97.4	133.2	0	0	0	112.8	E199 T200 K205 N206	E199-L203 PolarHBondContact O-N 3.45Å; T200-L203 PolarHBondContact O-N 2.81Å; L203-K205 PolarHBondContact O-N 3.26Å; L203-N206 PolarHBondContact O-N 2.74Å
204	A	37.6	Very low	39.9	Very low	83 Å²	83	114.7 Å²	114.7	69%	0.686	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-20.3	176	0	0	0	0	0	113.8	T200	T200-A204 PolarHBondContact O-N 3Å; T200-A204 VanDerWaalsContact O-N 3.11Å
205	K	39.3	Very low	40.5	Very low	174 Å²	174	113.5 Å²	113.5	76%	0.757	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-13.5	179.2	-73.1	175	-178.3	170.9	0	114.2	V202 L203 G207	V202-K205 PolarHBondContact O-N 3.26Å; L203-K205 PolarHBondContact O-N 3.26Å; K205-G207 PolarHBondContact O-N 3.32Å
206	N	37.7	Very low	41.1	Very low	143 Å²	143	111.8 Å²	111.8	77%	0.765	64%	0.635	S	S	*	*			trans	-91.1	77.8	175.8	-86.9	-14.4	0	0	0	111.3	L203 S208	L203-N206 PolarHBondContact O-N 2.74Å; N206-S208 PolarHBondContact O-N 3.46Å; N206-S208 VanDerWaalsContact O-N 3.13Å
207	G	46.9	Very low	41.3	Very low	79 Å²	79	112.6 Å²	112.6	81%	0.814	64%	0.638	S	S	*	*			trans	-72.2	95.5	175.1	0	0	0	0	0	112.7	K205	K205-G207 PolarHBondContact O-N 3.32Å
208	S	39.6	Very low	41.2	Very low	109 Å²	109	113.2 Å²	113.2	76%	0.762	63%	0.634	S	S	*	*			trans	-158.3	53.6	168.4	170.7	0	0	0	0	112.6	N206	N206-S208 PolarHBondContact O-N 3.46Å; N206-S208 VanDerWaalsContact O-N 3.13Å
209	V	35.8	Very low	41.5	Very low	143 Å²	143	109.4 Å²	109.4	87%	0.867	62%	0.616	S	S	*	*	S	Bend	trans	-153.2	122.8	152.5	172.7	0	0	0	0	109.2
210	A	38.4	Very low	42.1	Very low	86 Å²	86	111.8 Å²	111.8	71%	0.711	63%	0.625	S	S	*	*			trans	45.7	88.5	159.8	0	0	0	0	0	118.6	T212	A210-T212 PolarHBondContact O-N 3.35Å
211	S	39.1	Very low	42.3	Very low	62 Å²	62	112.7 Å²	112.7	43%	0.434	63%	0.626	S	S	.	*			trans	-58.6	123.3	164.9	175	0	0	0	0	111.6	Q213 N214	S211-Q213 PolarHBondContact O-N 3.48Å; S211-Q213 VanDerWaalsContact OG-CB 3.31Å; S211-Q213 WeakPolarHBondContact OG-CB 3.33Å; S211-Q213 WeakPolarHBondContact OG-CG 3.42Å; S211-Q213 PolarHBondContact OG-N 3.07Å; S211-Q213 PolarHBondContact OG-OE1 3.34Å; S211-N214 PolarHBondContact O-N 2.89Å; S211-N214 VanDerWaalsContact O-N 3.08Å
212	T	40.9	Very low	42.3	Very low	115 Å²	115	114.6 Å²	114.6	71%	0.706	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	-11	171.5	-21.7	0	0	0	0	113	A210 N214	A210-T212 PolarHBondContact O-N 3.35Å; T212-N214 VanDerWaalsContact C-N 3.26Å; T212-N214 PolarHBondContact O-N 3.24Å
213	Q	38.5	Very low	42.8	Very low	146 Å²	146	115.3 Å²	115.3	68%	0.682	63%	0.625	S	S	*	*	H	α-helix	trans	-69.3	-24.2	173.3	-65.2	174.2	-30	0	0	112.5	S211 T217	S211-Q213 PolarHBondContact O-N 3.48Å; S211-Q213 VanDerWaalsContact OG-CB 3.31Å; S211-Q213 WeakPolarHBondContact OG-CB 3.33Å; S211-Q213 WeakPolarHBondContact OG-CG 3.42Å; S211-Q213 PolarHBondContact OG-N 3.07Å; S211-Q213 PolarHBondContact OG-OE1 3.34Å; Q213-T217 PolarHBondContact O-N 3.47Å; Q213-T217 PolarHBondContact O-OG1 2.89Å
214	N	45.1	Very low	43.3	Very low	94 Å²	94	116.2 Å²	116.2	50%	0.503	62%	0.624	S	S	.	*	H	α-helix	trans	-68.5	-42.9	177.2	-70.5	-14.1	0	0	0	110.6	S211 T212 N216 T217 W218	S211-N214 PolarHBondContact O-N 2.89Å; S211-N214 VanDerWaalsContact O-N 3.08Å; T212-N214 VanDerWaalsContact C-N 3.26Å; T212-N214 PolarHBondContact O-N 3.24Å; N214-N216 PolarHBondContact O-N 2.85Å; N214-T217 WeakPolarHBondContact O-CA 3.29Å; N214-T217 WeakPolarHBondContact O-CB 3.39Å; N214-T217 PolarHBondContact O-N 2.82Å; N214-W218 PolarHBondContact O-N 2.91Å
215	Y	42.2	Very low	43.5	Very low	169 Å²	169	117.7 Å²	117.7	66%	0.663	62%	0.62	S	S	*	*	H	α-helix	trans	-56.8	-47.4	-178	-172.4	-94.2	0	0	0	113.2	T217 W218 E219	Y215-T217 PolarHBondContact O-N 2.93Å; Y215-W218 PolarHBondContact O-N 3.04Å; Y215-E219 PolarHBondContact O-N 3.42Å
216	N	44.7	Very low	43.7	Very low	89 Å²	89	115.6 Å²	115.6	48%	0.476	61%	0.613	S	S	.	*	H	α-helix	trans	-66.9	-24.5	177.1	-74.4	-23.6	0	0	0	113.5	N214 K220	N214-N216 PolarHBondContact O-N 2.85Å; N216-K220 WeakPolarHBondContact O-CB 3.09Å; N216-K220 WeakPolarHBondContact O-CD 3.45Å; N216-K220 VanDerWaalsContact O-CG 3.24Å; N216-K220 WeakPolarHBondContact O-CG 3.49Å; N216-K220 PolarHBondContact O-N 2.91Å
217	T	50.1	Low	44.2	Very low	78 Å²	78	114.9 Å²	114.9	48%	0.479	61%	0.605	S	S	.	*	H	α-helix	trans	-76.2	-38.6	175.8	-52.2	0	0	0	0	110.3	Q213 N214 Y215 I221	Q213-T217 PolarHBondContact O-N 3.47Å; Q213-T217 PolarHBondContact O-OG1 2.89Å; N214-T217 WeakPolarHBondContact O-CA 3.29Å; N214-T217 WeakPolarHBondContact O-CB 3.39Å; N214-T217 PolarHBondContact O-N 2.82Å; Y215-T217 PolarHBondContact O-N 2.93Å; T217-I221 HydrophobicContact CG2-CD1 4.44Å; T217-I221 WeakPolarHBondContact O-CD1 3.41Å; T217-I221 VanDerWaalsContact O-CG1 3.27Å; T217-I221 WeakPolarHBondContact O-CG1 3.3Å; T217-I221 PolarHBondContact O-N 3.04Å
218	W	39.4	Very low	43.9	Very low	158 Å²	158	113 Å²	113	60%	0.598	59%	0.586	S	S	*	*	H	α-helix	trans	-73.5	-40.3	178.9	-69.5	54.4	0	0	0	111.5	N214 Y215 K220 I221 F222	N214-W218 PolarHBondContact O-N 2.91Å; Y215-W218 PolarHBondContact O-N 3.04Å; W218-K220 VanDerWaalsContact C-N 3.28Å; W218-K220 PolarHBondContact O-N 3.47Å; W218-I221 WeakPolarHBondContact O-CB 3.44Å; W218-I221 PolarHBondContact O-N 3.34Å; W218-F222 HydrophobicContact CB-CE2 4.37Å; W218-F222 HydrophobicContact CE3-CE2 4.26Å; W218-F222 WeakPolarHBondContact O-CD2 3.21Å; W218-F222 PolarHBondContact O-N 2.78Å
219	E	46.3	Very low	44.1	Very low	78 Å²	78	111.9 Å²	111.9	36%	0.364	58%	0.577	S	S	.	*	H	α-helix	trans	-61.7	-36.7	174.6	-159.3	-157.6	162.1	0	0	112.1	Y215 I221 F222 K223	Y215-E219 PolarHBondContact O-N 3.42Å; E219-I221 VanDerWaalsContact C-N 3.33Å; E219-F222 PolarHBondContact O-N 3.33Å; E219-K223 WeakPolarHBondContact O-CB 3.43Å; E219-K223 PolarHBondContact O-N 3.34Å; E219-K223 IonicContact OE1-NZ 3.21Å; E219-K223 PolarHBondContact OE1-NZ 3.18Å
220	K	56.3	Low	44.5	Very low	148 Å²	148	109.6 Å²	109.6	64%	0.643	56%	0.56	S	S	*	*	H	α-helix	trans	-68.4	-29.4	173.5	-77.5	177	-177.1	-178.6	0	113.3	N216 W218 K224	N216-K220 WeakPolarHBondContact O-CB 3.09Å; N216-K220 WeakPolarHBondContact O-CD 3.45Å; N216-K220 VanDerWaalsContact O-CG 3.24Å; N216-K220 WeakPolarHBondContact O-CG 3.49Å; N216-K220 PolarHBondContact O-N 2.91Å; W218-K220 VanDerWaalsContact C-N 3.28Å; W218-K220 PolarHBondContact O-N 3.47Å; K220-K224 WeakPolarHBondContact O-CB 3.47Å; K220-K224 WeakPolarHBondContact O-CG 3.42Å; K220-K224 PolarHBondContact O-N 3Å
221	I	49	Very low	44.7	Very low	88 Å²	88	111.7 Å²	111.7	45%	0.451	56%	0.555	S	S	.	*	H	α-helix	trans	-72	-45.3	174.6	-67.9	162.7	0	0	0	109.4	T217 W218 E219 K224 D225	T217-I221 HydrophobicContact CG2-CD1 4.44Å; T217-I221 WeakPolarHBondContact O-CD1 3.41Å; T217-I221 VanDerWaalsContact O-CG1 3.27Å; T217-I221 WeakPolarHBondContact O-CG1 3.3Å; T217-I221 PolarHBondContact O-N 3.04Å; W218-I221 WeakPolarHBondContact O-CB 3.44Å; W218-I221 PolarHBondContact O-N 3.34Å; E219-I221 VanDerWaalsContact C-N 3.33Å; I221-K224 PolarHBondContact O-N 3.22Å; I221-D225 PolarHBondContact O-N 2.82Å
222	F	39.6	Very low	44.9	Very low	130 Å²	130	111.1 Å²	111.1	57%	0.57	55%	0.554	S	S	*	*	H	α-helix	trans	-67.5	-38.3	178.8	-70.4	-65.4	0	0	0	113.5	W218 E219 K224 D225 E226	W218-F222 HydrophobicContact CB-CE2 4.37Å; W218-F222 HydrophobicContact CE3-CE2 4.26Å; W218-F222 WeakPolarHBondContact O-CD2 3.21Å; W218-F222 PolarHBondContact O-N 2.78Å; E219-F222 PolarHBondContact O-N 3.33Å; F222-K224 VanDerWaalsContact C-N 3.33Å; F222-K224 PolarHBondContact O-N 2.92Å; F222-D225 PolarHBondContact O-N 3.47Å; F222-E226 PolarHBondContact O-N 3.25Å
223	K	52.6	Low	45.2	Very low	114 Å²	114	109.5 Å²	109.5	50%	0.496	54%	0.544	S	S	.	.	H	α-helix	trans	-65	-34.5	173.2	-86.2	174.6	170.6	155.7	0	113	E219 E227	E219-K223 WeakPolarHBondContact O-CB 3.43Å; E219-K223 PolarHBondContact O-N 3.34Å; E219-K223 IonicContact OE1-NZ 3.21Å; E219-K223 PolarHBondContact OE1-NZ 3.18Å; K223-E227 PolarHBondContact O-N 2.72Å; K223-E227 VanDerWaalsContact O-N 3.13Å
224	K	50.5	Low	45.3	Very low	155 Å²	155	109.3 Å²	109.3	67%	0.674	54%	0.541	S	S	*	.	H	α-helix	trans	-72.1	-34.9	174.9	-84.1	-175.1	171.4	-174.1	0	113	K220 I221 F222 G228	K220-K224 WeakPolarHBondContact O-CB 3.47Å; K220-K224 WeakPolarHBondContact O-CG 3.42Å; K220-K224 PolarHBondContact O-N 3Å; I221-K224 PolarHBondContact O-N 3.22Å; F222-K224 VanDerWaalsContact C-N 3.33Å; F222-K224 PolarHBondContact O-N 2.92Å; K224-G228 PolarHBondContact O-N 2.85Å
225	D	41.8	Very low	45.1	Very low	113 Å²	113	109 Å²	109	60%	0.604	55%	0.545	S	S	*	.	H	α-helix	trans	-69.9	-35.4	174.8	-91.1	3.1	0	0	0	112	I221 F222 G228 C229	I221-D225 PolarHBondContact O-N 2.82Å; F222-D225 PolarHBondContact O-N 3.47Å; D225-G228 PolarHBondContact O-N 2.96Å; D225-C229 PolarHBondContact O-N 3.4Å
226	E	42.4	Very low	45.2	Very low	130 Å²	130	107.9 Å²	107.9	61%	0.607	55%	0.55	S	S	*	.	H	α-helix	trans	-65.3	-42.6	173.2	-168.3	178.5	-177.2	0	0	111.8	F222 C229 N230	F222-E226 PolarHBondContact O-N 3.25Å; E226-C229 PolarHBondContact O-N 2.79Å; E226-N230 PolarHBondContact O-N 3.35Å; E226-N230 PolarHBondContact O-ND2 3.45Å; E226-N230 VanDerWaalsContact O-ND2 3.12Å
227	E	48.8	Very low	45.1	Very low	128 Å²	128	109.7 Å²	109.7	60%	0.598	56%	0.56	S	S	*	*	H	α-helix	trans	-66.3	-38.4	172.8	-76	177.7	170.9	0	0	112.5	K223 C229 N230 Q231	K223-E227 PolarHBondContact O-N 2.72Å; K223-E227 VanDerWaalsContact O-N 3.13Å; E227-C229 PolarHBondContact O-N 3.21Å; E227-N230 PolarHBondContact O-N 2.82Å; E227-Q231 PolarHBondContact O-N 3.15Å
228	G	41.2	Very low	44.3	Very low	41 Å²	41	112.8 Å²	112.8	42%	0.423	57%	0.573	S	S	.	*	H	α-helix	trans	-64	-37.5	176.4	0	0	0	0	0	113.4	K224 D225 Q231 A232	K224-G228 PolarHBondContact O-N 2.85Å; D225-G228 PolarHBondContact O-N 2.96Å; G228-Q231 PolarHBondContact O-N 3.36Å; G228-A232 PolarHBondContact O-N 3.1Å
229	C	42.5	Very low	43.9	Very low	84 Å²	84	108.1 Å²	108.1	57%	0.568	57%	0.574	S	S	*	*	H	α-helix	trans	-68.7	-38.9	176.1	-143.8	0	0	0	0	111.5	D225 E226 E227 Q231 A232 V233	D225-C229 PolarHBondContact O-N 3.4Å; E226-C229 PolarHBondContact O-N 2.79Å; E227-C229 PolarHBondContact O-N 3.21Å; C229-Q231 VanDerWaalsContact C-N 3.32Å; C229-Q231 PolarHBondContact O-N 3.12Å; C229-A232 PolarHBondContact O-N 2.98Å; C229-V233 WeakPolarHBondContact O-CG2 3.41Å; C229-V233 PolarHBondContact O-N 2.83Å; C229-V233 VanDerWaalsContact O-N 3.1Å
230	N	44.9	Very low	43.2	Very low	95 Å²	95	111 Å²	111	51%	0.508	60%	0.597	S	S	.	*	H	α-helix	trans	-67.5	-31.1	173.4	-72.4	-35.8	0	0	0	112.9	E226 E227 K234	E226-N230 PolarHBondContact O-N 3.35Å; E226-N230 PolarHBondContact O-ND2 3.45Å; E226-N230 VanDerWaalsContact O-ND2 3.12Å; E227-N230 PolarHBondContact O-N 2.82Å; N230-K234 PolarHBondContact O-N 3.16Å; N230-K234 VanDerWaalsContact O-N 3.1Å
231	Q	43.8	Very low	41.7	Very low	130 Å²	130	113.8 Å²	113.8	61%	0.607	61%	0.609	S	S	*	*	H	α-helix	trans	-71.2	-37.6	173.5	-147.6	104.1	10.8	0	0	111.7	E227 G228 C229 K234 C235	E227-Q231 PolarHBondContact O-N 3.15Å; G228-Q231 PolarHBondContact O-N 3.36Å; C229-Q231 VanDerWaalsContact C-N 3.32Å; C229-Q231 PolarHBondContact O-N 3.12Å; Q231-K234 PolarHBondContact O-N 3.01Å; Q231-C235 WeakPolarHBondContact O-CB 3.5Å; Q231-C235 PolarHBondContact O-N 2.79Å; Q231-C235 PolarHBondContact O-SG 3.4Å; Q231-C235 VanDerWaalsContact O-SG 3.34Å
232	A	42.7	Very low	40.6	Very low	51 Å²	51	118.2 Å²	118.2	42%	0.421	63%	0.628	S	S	.	*	H	α-helix	trans	-65.6	-38.8	175.1	0	0	0	0	0	112.2	G228 C229 K234 C235 L236	G228-A232 PolarHBondContact O-N 3.1Å; C229-A232 PolarHBondContact O-N 2.98Å; A232-K234 VanDerWaalsContact C-N 3.35Å; A232-C235 PolarHBondContact O-N 3.22Å; A232-L236 WeakPolarHBondContact O-CG 3.31Å; A232-L236 PolarHBondContact O-N 3.25Å; A232-L236 VanDerWaalsContact O-N 3.07Å
233	V	47.3	Very low	39.9	Very low	80 Å²	80	120.8 Å²	120.8	49%	0.485	64%	0.642	S	S	.	*	H	α-helix	trans	-66.6	-35	172.7	175.8	0	0	0	0	111.6	C229 N237	C229-V233 WeakPolarHBondContact O-CG2 3.41Å; C229-V233 PolarHBondContact O-N 2.83Å; C229-V233 VanDerWaalsContact O-N 3.1Å; V233-N237 PolarHBondContact O-N 3.33Å; V233-N237 PolarHBondContact O-ND2 3.1Å
234	K	40.8	Very low	38.6	Very low	142 Å²	142	124.9 Å²	124.9	62%	0.617	66%	0.662	S	S	*	*	H	α-helix	trans	-72.6	-33.3	172.9	-80.4	178.3	177.6	175	0	113.5	N230 Q231 A232 N237 N238	N230-K234 PolarHBondContact O-N 3.16Å; N230-K234 VanDerWaalsContact O-N 3.1Å; Q231-K234 PolarHBondContact O-N 3.01Å; A232-K234 VanDerWaalsContact C-N 3.35Å; K234-N237 PolarHBondContact O-N 2.85Å; K234-N238 PolarHBondContact O-N 3.25Å
235	C	41	Very low	37.4	Very low	89 Å²	89	126.2 Å²	126.2	60%	0.601	67%	0.668	S	S	*	*	H	α-helix	trans	-72.3	-30.8	176	-73.8	0	0	0	0	112.7	Q231 A232 N237	Q231-C235 WeakPolarHBondContact O-CB 3.5Å; Q231-C235 PolarHBondContact O-N 2.79Å; Q231-C235 PolarHBondContact O-SG 3.4Å; Q231-C235 VanDerWaalsContact O-SG 3.34Å; A232-C235 PolarHBondContact O-N 3.22Å; C235-N237 VanDerWaalsContact C-N 3.28Å; C235-N237 PolarHBondContact O-N 3.35Å
236	L	44.2	Very low	36.7	Very low	144 Å²	144	129.8 Å²	129.8	75%	0.754	68%	0.681	S	S	*	*	H	α-helix	trans	-68.8	-26.4	172	-73.9	164.7	0	0	0	112.7	A232	A232-L236 WeakPolarHBondContact O-CG 3.31Å; A232-L236 PolarHBondContact O-N 3.25Å; A232-L236 VanDerWaalsContact O-N 3.07Å
237	N	41.5	Very low	35.9	Very low	127 Å²	127	127.2 Å²	127.2	68%	0.679	69%	0.69	S	S	*	*	H	α-helix	trans	-90.1	-11.8	-179.8	-72.2	-20.5	0	0	0	114.6	V233 K234 C235	V233-N237 PolarHBondContact O-N 3.33Å; V233-N237 PolarHBondContact O-ND2 3.1Å; K234-N237 PolarHBondContact O-N 2.85Å; C235-N237 VanDerWaalsContact C-N 3.28Å; C235-N237 PolarHBondContact O-N 3.35Å
238	N	34.2	Very low	34.9	Very low	144 Å²	144	130.7 Å²	130.7	77%	0.77	71%	0.706	S	S	*	*	S	Bend	trans	-105.1	7	-177.8	-78.5	-9.1	0	0	0	114.1	K234	K234-N238 PolarHBondContact O-N 3.25Å
239	G	31.4	Very low	34.2	Very low	60 Å²	60	138.4 Å²	138.4	62%	0.619	73%	0.728	S	S	*	*	S	Bend	trans	-105.6	26.4	-171.1	0	0	0	0	0	116.4
240	V	29.9	Very low	33.4	Very low	137 Å²	137	140 Å²	140	83%	0.83	74%	0.74	S	S	*	*			trans	-150.2	105.1	166.3	-171.4	0	0	0	0	110.2
241	K	26.5	Very low	32.5	Very low	208 Å²	208	143.6 Å²	143.6	90%	0.904	76%	0.758	S	S	*	*			trans	-141.9	109.8	158	-86.5	-167	177.4	-177	0	109.5
242	E	25.7	Very low	31.5	Very low	180 Å²	180	144.4 Å²	144.4	84%	0.841	77%	0.767	S	S	*	*			trans	-172.3	95.4	139.5	-101.1	175.3	-165.9	0	0	104.9
243	E	24.9	Very low	30.6	Very low	185 Å²	185	146.8 Å²	146.8	86%	0.864	78%	0.779	S	S	*	*				84.9	101.6	93.5	-81.3	-160.9	178.6	0	0	113.4
244	E	24.8	Very low	29.4	Very low	199 Å²	199	150.6 Å²	150.6	93%	0.93	79%	0.792	S	S	*	*				-164.8	160.4	124.7	-106	179.3	-172.2	0	0	111.5
245	K	26.2	Very low	28.7	Very low	184 Å²	184	151.1 Å²	151.1	80%	0.8	81%	0.807	S	S	*	*			trans	-94.5	162.2	-139.1	-75.7	171.6	172.6	173	0	117.2
246	E	26	Very low	27.9	Very low	187 Å²	187	154.3 Å²	154.3	87%	0.874	81%	0.813	S	S	*	*			trans	78.7	127.2	142.3	-84.1	169.3	-164.6	0	0	121.1
247	G	26.4	Very low	26.9	Very low	77 Å²	77	157.5 Å²	157.5	79%	0.794	82%	0.82	S	S	*	*			trans	122.9	63.1	152.3	0	0	0	0	0	117.4	K249	G247-K249 PolarHBondContact O-N 3.1Å
248	Q	28.1	Very low	26.1	Very low	200 Å²	200	157.7 Å²	157.7	94%	0.935	83%	0.826	S	S	*	*			trans	-71.5	108.3	161.9	-95.1	176.1	-25	0	0	110.6
249	K	24.7	Very low	25.6	Very low	203 Å²	203	154.1 Å²	154.1	88%	0.883	82%	0.823	S	S	*	*			trans	-138.8	94.4	151.9	-87.3	-173.5	178.2	177.6	0	108.6	G247	G247-K249 PolarHBondContact O-N 3.1Å
250	S	26.7	Very low	25.3	Very low	118 Å²	118	158.3 Å²	158.3	83%	0.825	83%	0.832	S	S	*	*			trans	-73.7	118.7	161.6	50.9	0	0	0	0	108.7	N252	S250-N252 PolarHBondContact O-N 3.01Å
251	L	25.2	Very low	25.1	Very low	170 Å²	170	161.9 Å²	161.9	89%	0.89	83%	0.83	S	S	*	*			trans	-72.2	113.8	171.6	-82.9	149.1	0	0	0	110.1
252	N	23.9	Very low	25.1	Very low	147 Å²	147	158.8 Å²	158.8	79%	0.786	82%	0.823	S	S	*	*			trans	-76.9	142.7	145.7	-83.5	-19.2	0	0	0	108.5	S250	S250-N252 PolarHBondContact O-N 3.01Å
253	C	22.3	Very low	25.1	Very low	101 Å²	101	155 Å²	155	68%	0.682	82%	0.817	S	S	*	*			trans	-173.8	110.6	136.3	-98	0	0	0	0	107.4
254	E	22.9	Very low	25.2	Very low	160 Å²	160	154 Å²	154	75%	0.748	81%	0.812	S	S	*	*				98.4	114	82.9	-87.3	178	178.7	0	0	109.7
255	V	26.4	Very low	25.2	Very low	153 Å²	153	153.1 Å²	153.1	93%	0.927	81%	0.808	S	S	*	*			trans	-110.6	110.7	153.1	174.5	0	0	0	0	105.7
256	E	23.3	Very low	25.1	Very low	156 Å²	156	148.9 Å²	148.9	73%	0.729	81%	0.807	S	S	*	*			trans	-64.1	141	-178.3	-66.8	-173.8	138.4	0	0	112.6
257	K	24.2	Very low	25.1	Very low	211 Å²	211	148.4 Å²	148.4	92%	0.917	80%	0.804	S	S	*	*			trans	-90.5	130.2	156.8	-80	-179.6	175.3	177.1	0	108.7
258	V	25.1	Very low	25.1	Very low	132 Å²	132	151.4 Å²	151.4	80%	0.8	81%	0.807	S	S	*	*			trans	-123.6	109.9	164.9	176.5	0	0	0	0	110.7
259	G	23.9	Very low	25.1	Very low	69 Å²	69	148.9 Å²	148.9	71%	0.711	80%	0.8	S	S	*	*				61.5	89.8	124.3	0	0	0	0	0	123.3
260	N	24.7	Very low	25.2	Very low	148 Å²	148	148.2 Å²	148.2	79%	0.791	80%	0.8	S	S	*	*				40.3	122.2	118.7	-143.5	14.1	0	0	0	122.4
261	R	25.6	Very low	25.5	Very low	212 Å²	212	147.8 Å²	147.8	80%	0.8	80%	0.797	S	S	*	*				168.5	132.4	108.2	-94.9	-178.5	171.8	177.1	-1.3	116.2
262	N	25.4	Very low	25.9	Very low	143 Å²	143	151.4 Å²	151.4	77%	0.765	80%	0.799	S	S	*	*			trans	65.4	137.1	152.4	-55.9	-4.7	0	0	0	118.3
263	S	26.3	Very low	26.4	Very low	101 Å²	101	152 Å²	152	71%	0.706	80%	0.802	S	S	*	*			cis	-162.5	145.3	37	50.3	0	0	0	0	115.5
264	H	27.1	Very low	27.2	Very low	162 Å²	162	155 Å²	155	75%	0.75	81%	0.808	S	S	*	*			trans	60.1	116.2	143.8	-69.1	-68.3	0	0	0	123.7
265	Q	24.9	Very low	28.2	Very low	182 Å²	182	154.2 Å²	154.2	85%	0.85	81%	0.809	S	S	*	*			trans	58.2	138	134.4	-73.1	170.7	-16	0	0	118.8
266	A	25	Very low	29.2	Very low	94 Å²	94	150.9 Å²	150.9	78%	0.777	81%	0.806	S	S	*	*			cis	-141.8	144.3	35.4	0	0	0	0	0	113.4
267	E	25.3	Very low	30.6	Very low	177 Å²	177	144.9 Å²	144.9	83%	0.827	78%	0.783	S	S	*	*			trans	-68.7	130.9	164	-66.7	173.6	151.3	0	0	109.9
268	V	26.8	Very low	32.1	Very low	141 Å²	141	140.8 Å²	140.8	86%	0.855	78%	0.776	S	S	*	*			trans	-125.5	115	140.9	-179.1	0	0	0	0	106.3	E270	V268-E270 PolarHBondContact O-N 3.3Å
269	N	28.1	Very low	33.7	Very low	146 Å²	146	134.6 Å²	134.6	78%	0.781	74%	0.739	S	S	*	*			trans	-55.8	120.7	174.2	-83.5	-39.8	0	0	0	110.7
270	E	27	Very low	35.6	Very low	190 Å²	190	138.5 Å²	138.5	89%	0.888	74%	0.743	S	S	*	*			trans	-116.3	123.8	145.7	-85.5	-172.1	163.9	0	0	109.7	V268 R272	V268-E270 PolarHBondContact O-N 3.3Å; E270-R272 PolarHBondContact O-N 3.33Å
271	S	31.7	Very low	37.9	Very low	109 Å²	109	132.3 Å²	132.3	76%	0.762	71%	0.712	S	S	*	*			trans	-47.1	129.5	178.1	43.6	0	0	0	0	112.4	N273	S271-N273 PolarHBondContact O-N 2.95Å
272	R	34.4	Very low	40.1	Very low	246 Å²	246	123 Å²	123	93%	0.928	68%	0.679	S	S	*	*			trans	-38.9	111.7	157.4	-77.7	172.1	160.3	167.4	-6	110.5	E270	E270-R272 PolarHBondContact O-N 3.33Å
273	N	33.1	Very low	42.4	Very low	159 Å²	159	123 Å²	123	85%	0.85	67%	0.668	S	S	*	*			trans	-99.6	120.8	155.9	-129.7	-10.2	0	0	0	107.9	S271 N275	S271-N273 PolarHBondContact O-N 2.95Å; N273-N275 PolarHBondContact O-N 3.46Å; N273-N275 VanDerWaalsContact O-N 3.09Å
274	M	40.1	Very low	44.9	Very low	163 Å²	163	121.9 Å²	121.9	80%	0.803	65%	0.652	S	S	*	*	S	Bend	trans	-61.4	106.6	176	-73.4	-77	-171.8	0	0	108.4
275	N	43.5	Very low	47.1	Very low	144 Å²	144	120 Å²	120	77%	0.77	65%	0.647	S	S	*	*	S	Bend	trans	162.9	107.2	150	-77.8	-17.8	0	0	0	107.1	N273 A277	N273-N275 PolarHBondContact O-N 3.46Å; N273-N275 VanDerWaalsContact O-N 3.09Å; N275-A277 VanDerWaalsContact C-N 3.27Å; N275-A277 PolarHBondContact O-N 3.22Å
276	G	47.4	Very low	49.6	Very low	84 Å²	84	111.8 Å²	111.8	87%	0.866	61%	0.612	S	S	*	*			trans	-69.7	61.2	-166.9	0	0	0	0	0	116.7
277	A	52.1	Low	52.3	Low	30 Å²	30	107.3 Å²	107.3	25%	0.248	58%	0.575	C	S	.	*			trans	-108.8	82.7	174.2	0	0	0	0	0	110.6	N275	N275-A277 VanDerWaalsContact C-N 3.27Å; N275-A277 PolarHBondContact O-N 3.22Å
278	T	56	Low	55	Low	125 Å²	125	99.9 Å²	99.9	77%	0.767	54%	0.54	S	S	*	.			trans	-103.8	12.1	-176.8	26.4	0	0	0	0	113.8	L280	T278-L280 PolarHBondContact O-N 3.32Å
279	G	59.7	Low	57.6	Low	2 Å²	2	99.7 Å²	99.7	2%	0.021	53%	0.53	C	S	.	.			trans	-75.5	108.9	-172.7	0	0	0	0	0	114.7	A281 V287 R290	G279-A281 VanDerWaalsContact C-N 3.35Å; G279-V287 WeakPolarHBondContact O-CG2 3.5Å; G279-R290 VanDerWaalsContact C-NH1 3.33Å; G279-R290 PolarHBondContact O-NH1 3Å; G279-R290 PolarHBondContact O-NH2 3.31Å
280	L	64.2	Low	60.2	Low	151 Å²	151	94.8 Å²	94.8	79%	0.791	50%	0.501	S	S	*	.			trans	-75.7	-24	170.8	-66.7	174.5	0	0	0	112.8	T278	T278-L280 PolarHBondContact O-N 3.32Å
281	A	71.4	Confident	62.8	Low	18 Å²	18	86.7 Å²	86.7	15%	0.149	46%	0.463	C	S	.	.	S	Bend	trans	-110.3	150.2	-173.2	0	0	0	0	0	113.1	G279 W283 Q284 V287	G279-A281 VanDerWaalsContact C-N 3.35Å; A281-W283 HydrophobicContact CB-CD2 3.82Å; A281-W283 VanDerWaalsContact CB-CE2 3.47Å; A281-W283 HydrophobicContact CB-CE3 3.94Å; A281-W283 HydrophobicContact CB-CH2 3.46Å; A281-W283 VanDerWaalsContact CB-CH2 3.46Å; A281-W283 HydrophobicContact CB-CZ2 3.3Å; A281-W283 HydrophobicContact CB-CZ3 3.77Å; A281-W283 PolarHBondContact O-N 3.48Å; A281-Q284 HydrophobicContact CB-CG 4.37Å; A281-Q284 WeakPolarHBondContact O-CB 3.25Å; A281-Q284 PolarHBondContact O-N 3.01Å; A281-V287 WeakPolarHBondContact O-CG2 3.3Å
282	P	72.6	Confident	65	Low	15 Å²	15	83.8 Å²	83.8	10%	0.097	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-20.5	-171.6	-25.2	30.7	0	0	0	117.1	Y303 N307 M310 L311	P282-Y303 WeakPolarHBondContact CG-OH 3.36Å; P282-N307 HydrophobicContact CB-CB 4.36Å; P282-N307 HydrophobicContact CG-CB 4.23Å; P282-M310 HydrophobicContact CB-CB 4.39Å; P282-L311 HydrophobicContact CB-CD2 4.33Å; P282-L311 WeakPolarHBondContact O-CD2 3.33Å
283	W	72.9	Confident	67.2	Low	145 Å²	145	80.4 Å²	80.4	55%	0.549	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-3.5	-179.5	57.4	85.2	0	0	0	113.8	A281 F314	A281-W283 HydrophobicContact CB-CD2 3.82Å; A281-W283 VanDerWaalsContact CB-CE2 3.47Å; A281-W283 HydrophobicContact CB-CE3 3.94Å; A281-W283 HydrophobicContact CB-CH2 3.46Å; A281-W283 VanDerWaalsContact CB-CH2 3.46Å; A281-W283 HydrophobicContact CB-CZ2 3.3Å; A281-W283 HydrophobicContact CB-CZ3 3.77Å; A281-W283 PolarHBondContact O-N 3.48Å; W283-F314 HydrophobicContact CB-CB 4.11Å; W283-F314 HydrophobicContact CB-CD1 4Å; W283-F314 HydrophobicContact CB-CD2 3.7Å; W283-F314 HydrophobicContact CB-CE1 4.36Å; W283-F314 HydrophobicContact CB-CE2 4.1Å; W283-F314 HydrophobicContact CB-CG 3.66Å; W283-F314 HydrophobicContact CB-CZ 4.41Å
284	Q	78.8	Confident	69.4	Low	76 Å²	76	79.2 Å²	79.2	36%	0.355	43%	0.432	S	S	.	.	S	Bend	trans	-88.8	147.2	-179.3	-65.1	-179.3	-62	0	0	110.9	A281 V287	A281-Q284 HydrophobicContact CB-CG 4.37Å; A281-Q284 WeakPolarHBondContact O-CB 3.25Å; A281-Q284 PolarHBondContact O-N 3.01Å; Q284-V287 HydrophobicContact CB-CG2 4.02Å; Q284-V287 WeakPolarHBondContact O-CG2 3.43Å
285	D	74.8	Confident	71.3	Confident	123 Å²	123	73.6 Å²	73.6	66%	0.658	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	138	-177.5	-64.2	-34.4	0	0	0	112	Q316	D285-Q316 PolarHBondContact OD1-NE2 3.43Å
286	G	76.6	Confident	73.2	Confident	10 Å²	10	70.5 Å²	70.5	10%	0.103	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	8	175.3	0	0	0	0	0	115.8	L288 E289 R290	G286-L288 PolarHBondContact O-N 3.5Å; G286-E289 PolarHBondContact O-N 3.39Å; G286-R290 PolarHBondContact O-N 2.91Å; G286-R290 VanDerWaalsContact O-N 3.11Å
287	V	82.3	Confident	74.3	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-59.7	-45.9	178.4	174.3	0	0	0	0	112	G279 A281 Q284 R290 L291 Y303	G279-V287 WeakPolarHBondContact O-CG2 3.5Å; A281-V287 WeakPolarHBondContact O-CG2 3.3Å; Q284-V287 HydrophobicContact CB-CG2 4.02Å; Q284-V287 WeakPolarHBondContact O-CG2 3.43Å; V287-R290 PolarHBondContact O-N 3.02Å; V287-L291 HydrophobicContact CG1-CD1 3.75Å; V287-L291 HydrophobicContact CG1-CG 4.41Å; V287-L291 WeakPolarHBondContact O-CB 3.43Å; V287-L291 WeakPolarHBondContact O-CG 3.32Å; V287-L291 PolarHBondContact O-N 3.34Å; V287-Y303 HydrophobicContact CG1-CE1 4.17Å; V287-Y303 WeakPolarHBondContact CG1-OH 3.44Å
288	L	80.9	Confident	74.9	Confident	20 Å²	20	74.7 Å²	74.7	11%	0.105	40%	0.396	C	S	.	.	H	α-helix	trans	-68.4	-36.9	-179	-69.1	-179.6	0	0	0	112.5	G286 R290 G292 Y300 L304 L311 Q316 L317	G286-L288 PolarHBondContact O-N 3.5Å; L288-R290 VanDerWaalsContact C-N 3.31Å; L288-R290 PolarHBondContact O-N 2.76Å; L288-G292 PolarHBondContact O-N 3.02Å; L288-Y300 HydrophobicContact CD2-CE2 4.44Å; L288-L304 HydrophobicContact CD1-CD2 4.47Å; L288-L304 HydrophobicContact CD2-CD2 3.64Å; L288-L311 HydrophobicContact CD1-CD1 4.43Å; L288-L311 HydrophobicContact CD1-CD2 4.15Å; L288-L311 HydrophobicContact CD2-CD1 3.83Å; L288-L311 HydrophobicContact CD2-CD2 4.03Å; L288-L311 HydrophobicContact CG-CD2 3.99Å; L288-Q316 WeakPolarHBondContact CD1-O 3.46Å; L288-L317 HydrophobicContact CD1-CB 4.43Å; L288-L317 HydrophobicContact CD1-CD1 4.02Å
289	E	81.4	Confident	75.4	Confident	137 Å²	137	73.6 Å²	73.6	64%	0.64	38%	0.383	S	S	*	.	H	α-helix	trans	-69.8	-30.9	178.9	-66.2	167.5	159.2	0	0	112.2	G286 K293	G286-E289 PolarHBondContact O-N 3.39Å; E289-K293 WeakPolarHBondContact O-CG 3.19Å
290	R	84	Confident	76.1	Confident	43 Å²	43	76.2 Å²	76.2	16%	0.162	39%	0.392	C	S	.	.	H	α-helix	trans	-75.3	-51.4	172.8	-170.5	-173	68.1	-117.8	-9.5	111.2	G279 G286 V287 L288 G292 K293 E294	G279-R290 VanDerWaalsContact C-NH1 3.33Å; G279-R290 PolarHBondContact O-NH1 3Å; G279-R290 PolarHBondContact O-NH2 3.31Å; G286-R290 PolarHBondContact O-N 2.91Å; G286-R290 VanDerWaalsContact O-N 3.11Å; V287-R290 PolarHBondContact O-N 3.02Å; L288-R290 VanDerWaalsContact C-N 3.31Å; L288-R290 PolarHBondContact O-N 2.76Å; R290-G292 VanDerWaalsContact C-N 3.26Å; R290-G292 PolarHBondContact O-N 2.71Å; R290-K293 WeakPolarHBondContact O-CA 3.39Å; R290-K293 WeakPolarHBondContact O-CB 3.43Å; R290-K293 PolarHBondContact O-N 3.22Å; R290-E294 VanDerWaalsContact CD-CD 3.46Å; R290-E294 WeakPolarHBondContact CD-OE1 3.34Å; R290-E294 VanDerWaalsContact CD-OE2 3.23Å; R290-E294 WeakPolarHBondContact CD-OE2 3.3Å; R290-E294 HydrophobicContact CG-CG 4.02Å; R290-E294 WeakPolarHBondContact CG-OE1 3.33Å; R290-E294 VanDerWaalsContact CG-OE2 3.28Å; R290-E294 WeakPolarHBondContact CG-OE2 3.24Å; R290-E294 IonicContact NE-OE2 3.64Å; R290-E294 PolarHBondContact NE-OE2 3.3Å; R290-E294 PolarHBondContact O-N 3.4Å
291	L	80.3	Confident	76.6	Confident	20 Å²	20	72.9 Å²	72.9	11%	0.105	38%	0.375	C	S	.	.	H	α-helix	trans	-59	-40.1	179.3	-73.2	171.5	0	0	0	111.4	V287 K293 E294 V295 Y300 Y303	V287-L291 HydrophobicContact CG1-CD1 3.75Å; V287-L291 HydrophobicContact CG1-CG 4.41Å; V287-L291 WeakPolarHBondContact O-CB 3.43Å; V287-L291 WeakPolarHBondContact O-CG 3.32Å; V287-L291 PolarHBondContact O-N 3.34Å; L291-K293 PolarHBondContact O-N 3.24Å; L291-E294 PolarHBondContact O-N 3.45Å; L291-V295 HydrophobicContact CB-CG2 3.97Å; L291-V295 HydrophobicContact CD2-CG1 4.16Å; L291-V295 HydrophobicContact CD2-CG2 4.03Å; L291-V295 WeakPolarHBondContact O-CG2 3.4Å; L291-V295 PolarHBondContact O-N 3.25Å; L291-Y300 HydrophobicContact CB-CD2 3.9Å; L291-Y300 HydrophobicContact CB-CE2 4.1Å; L291-Y303 HydrophobicContact CD1-CD1 3.4Å; L291-Y303 VanDerWaalsContact CD1-CD1 3.4Å; L291-Y303 HydrophobicContact CD1-CD2 3.82Å; L291-Y303 HydrophobicContact CD1-CE1 3.29Å; L291-Y303 HydrophobicContact CD1-CE2 3.71Å; L291-Y303 HydrophobicContact CD1-CG 3.67Å; L291-Y303 VanDerWaalsContact CD1-CZ 3.44Å
292	G	78.4	Confident	76.4	Confident	48 Å²	48	77.3 Å²	77.3	50%	0.495	39%	0.394	S	S	.	.	H	α-helix	trans	-61.5	-13.8	175.4	0	0	0	0	0	114.6	L288 R290	L288-G292 PolarHBondContact O-N 3.02Å; R290-G292 VanDerWaalsContact C-N 3.26Å; R290-G292 PolarHBondContact O-N 2.71Å
293	K	80.6	Confident	76.7	Confident	175 Å²	175	78.8 Å²	78.8	76%	0.761	40%	0.398	S	S	*	.	H	α-helix	trans	-106	-30.3	175.9	-67	175.8	-176.6	174.7	0	113.5	E289 R290 L291	E289-K293 WeakPolarHBondContact O-CG 3.19Å; R290-K293 WeakPolarHBondContact O-CA 3.39Å; R290-K293 WeakPolarHBondContact O-CB 3.43Å; R290-K293 PolarHBondContact O-N 3.22Å; L291-K293 PolarHBondContact O-N 3.24Å
294	E	80.1	Confident	76.9	Confident	135 Å²	135	73.9 Å²	73.9	63%	0.631	38%	0.382	S	S	*	.	H	α-helix	trans	-96.6	-30.5	-171.7	-72.2	178.1	-179.5	0	0	113.9	R290 L291	R290-E294 VanDerWaalsContact CD-CD 3.46Å; R290-E294 WeakPolarHBondContact CD-OE1 3.34Å; R290-E294 VanDerWaalsContact CD-OE2 3.23Å; R290-E294 WeakPolarHBondContact CD-OE2 3.3Å; R290-E294 HydrophobicContact CG-CG 4.02Å; R290-E294 WeakPolarHBondContact CG-OE1 3.33Å; R290-E294 VanDerWaalsContact CG-OE2 3.28Å; R290-E294 WeakPolarHBondContact CG-OE2 3.24Å; R290-E294 IonicContact NE-OE2 3.64Å; R290-E294 PolarHBondContact NE-OE2 3.3Å; R290-E294 PolarHBondContact O-N 3.4Å; L291-E294 PolarHBondContact O-N 3.45Å
295	V	79.7	Confident	76.7	Confident	44 Å²	44	75.8 Å²	75.8	27%	0.267	40%	0.399	S	S	.	.	S	Bend	trans	-109.9	154.1	-178	-67.3	0	0	0	0	111.8	L291 E299 Y300	L291-V295 HydrophobicContact CB-CG2 3.97Å; L291-V295 HydrophobicContact CD2-CG1 4.16Å; L291-V295 HydrophobicContact CD2-CG2 4.03Å; L291-V295 WeakPolarHBondContact O-CG2 3.4Å; L291-V295 PolarHBondContact O-N 3.25Å; V295-E299 HydrophobicContact CB-CB 3.91Å; V295-E299 HydrophobicContact CG1-CB 4.49Å; V295-E299 HydrophobicContact CG2-CB 4.37Å; V295-Y300 HydrophobicContact CG2-CD2 4.35Å
296	N	83.2	Confident	76.4	Confident	80 Å²	80	75.2 Å²	75.2	43%	0.428	39%	0.392	S	S	.	.			trans	-68.4	163.9	176.5	67.2	49.4	0	0	0	111	A298 E299 Y300	N296-A298 PolarHBondContact O-N 2.89Å; N296-A298 WeakPolarHBondContact OD1-CB 3.3Å; N296-A298 PolarHBondContact OD1-N 3.39Å; N296-A298 VanDerWaalsContact OD1-N 3.13Å; N296-E299 PolarHBondContact ND2-OE1 2.84Å; N296-E299 PolarHBondContact ND2-OE2 3.23Å; N296-E299 PolarHBondContact O-N 2.91Å; N296-E299 WeakPolarHBondContact OD1-CB 2.95Å; N296-E299 WeakPolarHBondContact OD1-CG 3.4Å; N296-E299 PolarHBondContact OD1-N 2.79Å; N296-Y300 WeakPolarHBondContact O-CB 3.46Å; N296-Y300 PolarHBondContact O-N 3.12Å
297	I	70.5	Confident	76.5	Confident	134 Å²	134	76.5 Å²	76.5	69%	0.687	40%	0.397	S	S	*	.	H	α-helix	trans	-58.8	-34.4	-175.5	-64.6	167.1	0	0	0	111.7	N301	I297-N301 VanDerWaalsContact O-CB 3.29Å; I297-N301 WeakPolarHBondContact O-CB 3.46Å; I297-N301 PolarHBondContact O-N 3.11Å; I297-N301 PolarHBondContact O-ND2 2.98Å; I297-N301 VanDerWaalsContact O-ND2 3.16Å
298	A	64.2	Low	76.1	Confident	67 Å²	67	77 Å²	77	55%	0.554	40%	0.402	S	S	*	.	H	α-helix	trans	-69.1	-46.2	179.7	0	0	0	0	0	111.8	N296 N301 M302	N296-A298 PolarHBondContact O-N 2.89Å; N296-A298 WeakPolarHBondContact OD1-CB 3.3Å; N296-A298 PolarHBondContact OD1-N 3.39Å; N296-A298 VanDerWaalsContact OD1-N 3.13Å; A298-N301 PolarHBondContact O-N 3.42Å; A298-M302 WeakPolarHBondContact O-CB 3.19Å; A298-M302 PolarHBondContact O-N 2.99Å
299	E	66.3	Low	75.7	Confident	102 Å²	102	79.6 Å²	79.6	48%	0.477	43%	0.426	S	S	.	.	H	α-helix	trans	-66.3	-39.3	176.1	-74.7	163.8	-164.6	0	0	112.1	V295 N296 M302 Y303	V295-E299 HydrophobicContact CB-CB 3.91Å; V295-E299 HydrophobicContact CG1-CB 4.49Å; V295-E299 HydrophobicContact CG2-CB 4.37Å; N296-E299 PolarHBondContact ND2-OE1 2.84Å; N296-E299 PolarHBondContact ND2-OE2 3.23Å; N296-E299 PolarHBondContact O-N 2.91Å; N296-E299 WeakPolarHBondContact OD1-CB 2.95Å; N296-E299 WeakPolarHBondContact OD1-CG 3.4Å; N296-E299 PolarHBondContact OD1-N 2.79Å; E299-M302 PolarHBondContact O-N 3.14Å; E299-Y303 WeakPolarHBondContact O-CB 3.45Å; E299-Y303 PolarHBondContact O-N 2.9Å
300	Y	75.6	Confident	75.4	Confident	58 Å²	58	77.3 Å²	77.3	23%	0.227	42%	0.417	C	S	.	.	H	α-helix	trans	-60.9	-46.7	173.5	-176.1	-99.6	0	0	0	111.5	L288 L291 V295 N296 Y303 L304	L288-Y300 HydrophobicContact CD2-CE2 4.44Å; L291-Y300 HydrophobicContact CB-CD2 3.9Å; L291-Y300 HydrophobicContact CB-CE2 4.1Å; V295-Y300 HydrophobicContact CG2-CD2 4.35Å; N296-Y300 WeakPolarHBondContact O-CB 3.46Å; N296-Y300 PolarHBondContact O-N 3.12Å; Y300-Y303 WeakPolarHBondContact O-CB 3.41Å; Y300-Y303 PolarHBondContact O-N 3.38Å; Y300-L304 HydrophobicContact CD1-CD1 3.89Å; Y300-L304 HydrophobicContact CD1-CG 4.44Å; Y300-L304 HydrophobicContact CE1-CD1 3.41Å; Y300-L304 VanDerWaalsContact CE1-CD1 3.41Å; Y300-L304 HydrophobicContact CE1-CG 4.1Å; Y300-L304 WeakPolarHBondContact O-CG 3.44Å; Y300-L304 PolarHBondContact O-N 2.85Å
301	N	73.8	Confident	75.1	Confident	81 Å²	81	75.2 Å²	75.2	43%	0.433	41%	0.409	S	S	.	.	H	α-helix	trans	-64.4	-40.9	176.7	-72.2	-19.4	0	0	0	111.5	I297 A298 Y303 L304 V305	I297-N301 VanDerWaalsContact O-CB 3.29Å; I297-N301 WeakPolarHBondContact O-CB 3.46Å; I297-N301 PolarHBondContact O-N 3.11Å; I297-N301 PolarHBondContact O-ND2 2.98Å; I297-N301 VanDerWaalsContact O-ND2 3.16Å; A298-N301 PolarHBondContact O-N 3.42Å; N301-Y303 VanDerWaalsContact C-N 3.31Å; N301-Y303 PolarHBondContact O-N 2.87Å; N301-L304 PolarHBondContact O-N 2.95Å; N301-V305 VanDerWaalsContact O-CG2 3.31Å; N301-V305 WeakPolarHBondContact O-CG2 3.19Å; N301-V305 PolarHBondContact O-N 3.27Å
302	M	68.6	Low	75.1	Confident	110 Å²	110	77.3 Å²	77.3	54%	0.542	42%	0.42	S	S	.	.	H	α-helix	trans	-61.3	-41.7	175.7	-158.1	64.5	71	0	0	111.3	A298 E299 V305 H306	A298-M302 WeakPolarHBondContact O-CB 3.19Å; A298-M302 PolarHBondContact O-N 2.99Å; E299-M302 PolarHBondContact O-N 3.14Å; M302-V305 PolarHBondContact O-N 3.25Å; M302-H306 PolarHBondContact O-CD2 2.85Å; M302-H306 PolarHBondContact O-N 3.46Å
303	Y	78.2	Confident	75	Confident	47 Å²	47	81.7 Å²	81.7	18%	0.184	43%	0.431	C	S	.	.	H	α-helix	trans	-63.2	-42.3	176.2	-170.4	-86.9	0	0	0	112.4	P282 V287 L291 E299 Y300 N301 H306 N307 L311	P282-Y303 WeakPolarHBondContact CG-OH 3.36Å; V287-Y303 HydrophobicContact CG1-CE1 4.17Å; V287-Y303 WeakPolarHBondContact CG1-OH 3.44Å; L291-Y303 HydrophobicContact CD1-CD1 3.4Å; L291-Y303 VanDerWaalsContact CD1-CD1 3.4Å; L291-Y303 HydrophobicContact CD1-CD2 3.82Å; L291-Y303 HydrophobicContact CD1-CE1 3.29Å; L291-Y303 HydrophobicContact CD1-CE2 3.71Å; L291-Y303 HydrophobicContact CD1-CG 3.67Å; L291-Y303 VanDerWaalsContact CD1-CZ 3.44Å; E299-Y303 WeakPolarHBondContact O-CB 3.45Å; E299-Y303 PolarHBondContact O-N 2.9Å; Y300-Y303 WeakPolarHBondContact O-CB 3.41Å; Y300-Y303 PolarHBondContact O-N 3.38Å; N301-Y303 VanDerWaalsContact C-N 3.31Å; N301-Y303 PolarHBondContact O-N 2.87Å; Y303-H306 PolarHBondContact O-N 3.07Å; Y303-N307 HydrophobicContact CD1-CB 4.44Å; Y303-N307 HydrophobicContact CE1-CB 4.18Å; Y303-N307 WeakPolarHBondContact O-CB 3.31Å; Y303-N307 PolarHBondContact O-N 3.13Å; Y303-N307 PolarHBondContact O-ND2 3.16Å; Y303-L311 HydrophobicContact CE1-CD1 4.45Å
304	L	76.4	Confident	74.9	Confident	41 Å²	41	78.9 Å²	78.9	22%	0.215	42%	0.419	C	S	.	.	H	α-helix	trans	-63.7	-40.6	174.9	-73.9	177.4	0	0	0	112.2	L288 Y300 N301 G308 L311 L317	L288-L304 HydrophobicContact CD1-CD2 4.47Å; L288-L304 HydrophobicContact CD2-CD2 3.64Å; Y300-L304 HydrophobicContact CD1-CD1 3.89Å; Y300-L304 HydrophobicContact CD1-CG 4.44Å; Y300-L304 HydrophobicContact CE1-CD1 3.41Å; Y300-L304 VanDerWaalsContact CE1-CD1 3.41Å; Y300-L304 HydrophobicContact CE1-CG 4.1Å; Y300-L304 WeakPolarHBondContact O-CG 3.44Å; Y300-L304 PolarHBondContact O-N 2.85Å; N301-L304 PolarHBondContact O-N 2.95Å; L304-G308 WeakPolarHBondContact O-CA 3.45Å; L304-G308 PolarHBondContact O-N 3.5Å; L304-L311 HydrophobicContact CD2-CD1 3.88Å; L304-L317 HydrophobicContact CD2-CD1 4.5Å
305	V	74.9	Confident	74.6	Confident	117 Å²	117	75.5 Å²	75.5	71%	0.709	42%	0.421	S	S	*	.	H	α-helix	trans	-65.6	-43.9	177.4	171.3	0	0	0	0	111	N301 M302	N301-V305 VanDerWaalsContact O-CG2 3.31Å; N301-V305 WeakPolarHBondContact O-CG2 3.19Å; N301-V305 PolarHBondContact O-N 3.27Å; M302-V305 PolarHBondContact O-N 3.25Å
306	H	68.9	Low	74.5	Confident	111 Å²	111	75.6 Å²	75.6	51%	0.514	42%	0.419	S	S	.	.	H	α-helix	trans	-75.5	-34.5	-178.3	-74.5	-59.3	0	0	0	114.2	M302 Y303	M302-H306 PolarHBondContact O-CD2 2.85Å; M302-H306 PolarHBondContact O-N 3.46Å; Y303-H306 PolarHBondContact O-N 3.07Å
307	N	78	Confident	74.1	Confident	36 Å²	36	74.8 Å²	74.8	19%	0.193	41%	0.414	C	S	.	.	H	α-helix	trans	-111.4	-0.1	-172.9	-58.7	-77.4	0	0	0	113.8	P282 Y303 A309 M310 L311	P282-N307 HydrophobicContact CB-CB 4.36Å; P282-N307 HydrophobicContact CG-CB 4.23Å; Y303-N307 HydrophobicContact CD1-CB 4.44Å; Y303-N307 HydrophobicContact CE1-CB 4.18Å; Y303-N307 WeakPolarHBondContact O-CB 3.31Å; Y303-N307 PolarHBondContact O-N 3.13Å; Y303-N307 PolarHBondContact O-ND2 3.16Å; N307-A309 VanDerWaalsContact C-N 3.3Å; N307-A309 PolarHBondContact O-N 3.18Å; N307-M310 WeakPolarHBondContact O-CA 3.32Å; N307-M310 WeakPolarHBondContact O-CB 3.36Å; N307-M310 PolarHBondContact O-N 2.94Å; N307-L311 HydrophobicContact CB-CD1 4.18Å; N307-L311 HydrophobicContact CB-CG 4.37Å; N307-L311 WeakPolarHBondContact O-CG 3.45Å; N307-L311 PolarHBondContact O-N 2.81Å
308	G	74.2	Confident	74.1	Confident	11 Å²	11	71.7 Å²	71.7	11%	0.113	41%	0.409	C	S	.	.	H	α-helix	trans	-53.4	-41.5	-173.5	0	0	0	0	0	114.2	L304 M310 L311 I312	L304-G308 WeakPolarHBondContact O-CA 3.45Å; L304-G308 PolarHBondContact O-N 3.5Å; G308-M310 PolarHBondContact O-N 3.37Å; G308-L311 PolarHBondContact O-N 2.9Å; G308-I312 WeakPolarHBondContact O-CB 3.24Å; G308-I312 WeakPolarHBondContact O-CD1 3.47Å; G308-I312 VanDerWaalsContact O-CG1 3.22Å; G308-I312 WeakPolarHBondContact O-CG1 3.14Å; G308-I312 PolarHBondContact O-N 2.88Å
309	A	73.5	Confident	74	Confident	75 Å²	75	72.1 Å²	72.1	62%	0.62	41%	0.412	S	S	*	.	H	α-helix	trans	-65	-37.4	176.6	0	0	0	0	0	113	N307 N313	N307-A309 VanDerWaalsContact C-N 3.3Å; N307-A309 PolarHBondContact O-N 3.18Å; A309-N313 WeakPolarHBondContact O-CB 3.4Å; A309-N313 PolarHBondContact O-N 2.68Å
310	M	73.7	Confident	73.8	Confident	88 Å²	88	72 Å²	72	43%	0.433	42%	0.421	S	S	.	.	H	α-helix	trans	-70.3	-44.7	174.4	-71.9	-165.4	-169.6	0	0	110.7	P282 N307 G308 I312 N313 F314	P282-M310 HydrophobicContact CB-CB 4.39Å; N307-M310 WeakPolarHBondContact O-CA 3.32Å; N307-M310 WeakPolarHBondContact O-CB 3.36Å; N307-M310 PolarHBondContact O-N 2.94Å; G308-M310 PolarHBondContact O-N 3.37Å; M310-I312 PolarHBondContact O-N 2.89Å; M310-N313 PolarHBondContact O-N 3.44Å; M310-N313 VanDerWaalsContact O-N 3.17Å; M310-F314 HydrophobicContact CB-CD2 4.23Å; M310-F314 HydrophobicContact CB-CE2 4.38Å; M310-F314 WeakPolarHBondContact O-CB 3.3Å; M310-F314 WeakPolarHBondContact O-CD2 3.18Å; M310-F314 PolarHBondContact O-N 3.12Å
311	L	79.2	Confident	72.9	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	44%	0.439	C	S	.	.	H	α-helix	trans	-58	-38.3	178.1	-67.6	163.3	0	0	0	111.5	P282 L288 Y303 L304 N307 G308 G315 Q316 L317	P282-L311 HydrophobicContact CB-CD2 4.33Å; P282-L311 WeakPolarHBondContact O-CD2 3.33Å; L288-L311 HydrophobicContact CD1-CD1 4.43Å; L288-L311 HydrophobicContact CD1-CD2 4.15Å; L288-L311 HydrophobicContact CD2-CD1 3.83Å; L288-L311 HydrophobicContact CD2-CD2 4.03Å; L288-L311 HydrophobicContact CG-CD2 3.99Å; Y303-L311 HydrophobicContact CE1-CD1 4.45Å; L304-L311 HydrophobicContact CD2-CD1 3.88Å; N307-L311 HydrophobicContact CB-CD1 4.18Å; N307-L311 HydrophobicContact CB-CG 4.37Å; N307-L311 WeakPolarHBondContact O-CG 3.45Å; N307-L311 PolarHBondContact O-N 2.81Å; G308-L311 PolarHBondContact O-N 2.9Å; L311-G315 PolarHBondContact O-N 3.27Å; L311-Q316 HydrophobicContact CB-CB 4.35Å; L311-Q316 HydrophobicContact CD2-CB 3.78Å; L311-Q316 HydrophobicContact CD2-CG 4.44Å; L311-Q316 WeakPolarHBondContact O-CA 3.41Å; L311-Q316 PolarHBondContact O-N 2.95Å; L311-L317 HydrophobicContact CB-CB 3.73Å; L311-L317 PolarHBondContact O-N 3.17Å
312	I	78.7	Confident	71.9	Confident	64 Å²	64	72.8 Å²	72.8	33%	0.328	44%	0.436	S	S	.	.	H	α-helix	trans	-69	-48.9	174.6	-67.7	164.9	0	0	0	111.6	G308 M310 F314 G315 L317 A319	G308-I312 WeakPolarHBondContact O-CB 3.24Å; G308-I312 WeakPolarHBondContact O-CD1 3.47Å; G308-I312 VanDerWaalsContact O-CG1 3.22Å; G308-I312 WeakPolarHBondContact O-CG1 3.14Å; G308-I312 PolarHBondContact O-N 2.88Å; M310-I312 PolarHBondContact O-N 2.89Å; I312-F314 VanDerWaalsContact C-N 3.25Å; I312-F314 PolarHBondContact O-N 3.13Å; I312-G315 PolarHBondContact O-N 3.28Å; I312-G315 VanDerWaalsContact O-N 3.12Å; I312-L317 WeakPolarHBondContact CA-O 3.27Å; I312-L317 HydrophobicContact CD1-CD2 4.43Å; I312-L317 HydrophobicContact CG1-CB 4.15Å; I312-L317 HydrophobicContact CG1-CD2 4.08Å; I312-L317 HydrophobicContact CG1-CG 4.43Å; I312-A319 HydrophobicContact CG2-CB 3.61Å
313	N	76.8	Confident	70.9	Confident	139 Å²	139	78.6 Å²	78.6	74%	0.743	45%	0.452	S	S	*	.	H	α-helix	trans	-62.3	-32.7	-178.8	-84.6	14.3	0	0	0	113.2	A309 M310	A309-N313 WeakPolarHBondContact O-CB 3.4Å; A309-N313 PolarHBondContact O-N 2.68Å; M310-N313 PolarHBondContact O-N 3.44Å; M310-N313 VanDerWaalsContact O-N 3.17Å
314	F	78.9	Confident	69.9	Low	116 Å²	116	84.7 Å²	84.7	51%	0.509	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	8.7	178.8	-66.3	-67.9	0	0	0	113.4	W283 M310 I312 Q316	W283-F314 HydrophobicContact CB-CB 4.11Å; W283-F314 HydrophobicContact CB-CD1 4Å; W283-F314 HydrophobicContact CB-CD2 3.7Å; W283-F314 HydrophobicContact CB-CE1 4.36Å; W283-F314 HydrophobicContact CB-CE2 4.1Å; W283-F314 HydrophobicContact CB-CG 3.66Å; W283-F314 HydrophobicContact CB-CZ 4.41Å; M310-F314 HydrophobicContact CB-CD2 4.23Å; M310-F314 HydrophobicContact CB-CE2 4.38Å; M310-F314 WeakPolarHBondContact O-CB 3.3Å; M310-F314 WeakPolarHBondContact O-CD2 3.18Å; M310-F314 PolarHBondContact O-N 3.12Å; I312-F314 VanDerWaalsContact C-N 3.25Å; I312-F314 PolarHBondContact O-N 3.13Å; F314-Q316 PolarHBondContact O-N 3.47Å
315	G	73.6	Confident	68.9	Low	65 Å²	65	90.6 Å²	90.6	67%	0.67	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	9.9	173.8	0	0	0	0	0	115.4	L311 I312 L317	L311-G315 PolarHBondContact O-N 3.27Å; I312-G315 PolarHBondContact O-N 3.28Å; I312-G315 VanDerWaalsContact O-N 3.12Å; G315-L317 VanDerWaalsContact C-N 3.35Å
316	Q	76.4	Confident	67.5	Low	46 Å²	46	89.5 Å²	89.5	22%	0.215	50%	0.497	C	S	.	.	S	Bend	trans	-76.6	-24.1	175.2	-59.7	-61.8	-31.7	0	0	112	D285 L288 L311 F314	D285-Q316 PolarHBondContact OD1-NE2 3.43Å; L288-Q316 WeakPolarHBondContact CD1-O 3.46Å; L311-Q316 HydrophobicContact CB-CB 4.35Å; L311-Q316 HydrophobicContact CD2-CB 3.78Å; L311-Q316 HydrophobicContact CD2-CG 4.44Å; L311-Q316 WeakPolarHBondContact O-CA 3.41Å; L311-Q316 PolarHBondContact O-N 2.95Å; F314-Q316 PolarHBondContact O-N 3.47Å
317	L	76.8	Confident	66.4	Low	62 Å²	62	93.8 Å²	93.8	33%	0.325	51%	0.514	S	S	.	.	S	Bend	trans	-130.6	134.7	175.1	-167.2	78.1	0	0	0	109.7	L288 L304 L311 I312 G315 A319	L288-L317 HydrophobicContact CD1-CB 4.43Å; L288-L317 HydrophobicContact CD1-CD1 4.02Å; L304-L317 HydrophobicContact CD2-CD1 4.5Å; L311-L317 HydrophobicContact CB-CB 3.73Å; L311-L317 PolarHBondContact O-N 3.17Å; I312-L317 WeakPolarHBondContact CA-O 3.27Å; I312-L317 HydrophobicContact CD1-CD2 4.43Å; I312-L317 HydrophobicContact CG1-CB 4.15Å; I312-L317 HydrophobicContact CG1-CD2 4.08Å; I312-L317 HydrophobicContact CG1-CG 4.43Å; G315-L317 VanDerWaalsContact C-N 3.35Å; L317-A319 PolarHBondContact O-N 3.2Å
318	A	70.3	Confident	64.4	Low	70 Å²	70	97.6 Å²	97.6	58%	0.579	54%	0.538	S	S	*	.			trans	-71.2	131.5	175.6	0	0	0	0	0	110.4	C320	A318-C320 PolarHBondContact O-N 2.98Å
319	A	62.3	Low	63	Low	75 Å²	75	106.5 Å²	106.5	62%	0.62	57%	0.57	S	S	*	*	S	Bend	trans	-59.5	-27.5	178.7	0	0	0	0	0	113.3	I312 L317	I312-A319 HydrophobicContact CG2-CB 3.61Å; L317-A319 PolarHBondContact O-N 3.2Å
320	C	60.3	Low	61.4	Low	100 Å²	100	105.9 Å²	105.9	68%	0.676	57%	0.57	S	S	*	*	S	Bend	trans	-140.8	139.5	173.2	-56.8	0	0	0	0	108	A318 P322	A318-C320 PolarHBondContact O-N 2.98Å; C320-P322 WeakPolarHBondContact O-CD 3.33Å
321	T	56.8	Low	60	Low	97 Å²	97	109.7 Å²	109.7	60%	0.595	59%	0.592	S	S	*	*			trans	-61.5	122.4	163.4	20.3	0	0	0	0	108.1	R323	T321-R323 PolarHBondContact O-N 3.43Å
322	P	52.9	Low	58.3	Low	59 Å²	59	116.5 Å²	116.5	38%	0.383	63%	0.628	S	S	.	*			trans	-55.7	140.2	172.7	-23.2	33.2	0	0	0	109.4	C320 E324 K325 D326	C320-P322 WeakPolarHBondContact O-CD 3.33Å; P322-E324 PolarHBondContact O-N 3.05Å; P322-K325 PolarHBondContact O-N 3.37Å; P322-D326 PolarHBondContact O-N 3.36Å
323	R	49	Very low	56.5	Low	232 Å²	232	121.8 Å²	121.8	88%	0.875	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.6	-25.9	-178.5	-132.6	-179.9	-179	-166.9	-1	113.6	T321	T321-R323 PolarHBondContact O-N 3.43Å
324	E	56.3	Low	54.6	Low	174 Å²	174	121.3 Å²	121.3	81%	0.813	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-21.2	178.7	-62.4	151.8	-162.7	0	0	113.9	P322	P322-E324 PolarHBondContact O-N 3.05Å
325	K	54.8	Low	53	Low	166 Å²	166	122.7 Å²	122.7	72%	0.722	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.5	-3.7	178.7	-64	-173	179.1	-178.1	0	112.8	P322	P322-K325 PolarHBondContact O-N 3.37Å
326	D	46.5	Very low	51.4	Low	94 Å²	94	128.4 Å²	128.4	50%	0.503	68%	0.677	S	S	.	*	S	Bend	trans	-75.1	139.2	173.3	-143.6	0.2	0	0	0	108.6	P322 V328	P322-D326 PolarHBondContact O-N 3.36Å; D326-V328 WeakPolarHBondContact O-CG2 3.46Å; D326-V328 PolarHBondContact O-N 2.98Å
327	F	44.9	Very low	49.5	Very low	201 Å²	201	131.6 Å²	131.6	88%	0.882	70%	0.699	S	S	*	*			trans	-53.8	105.9	-173.8	-98.6	-99.1	0	0	0	111.1	Y329	F327-Y329 PolarHBondContact O-N 2.99Å
328	V	37.2	Very low	47.6	Very low	115 Å²	115	136.8 Å²	136.8	70%	0.697	72%	0.722	S	S	*	*			trans	-77.1	107.6	178.1	-177.3	0	0	0	0	108.3	D326 G330	D326-V328 WeakPolarHBondContact O-CG2 3.46Å; D326-V328 PolarHBondContact O-N 2.98Å; V328-G330 PolarHBondContact O-N 3.17Å; V328-G330 VanDerWaalsContact O-N 3.17Å
329	Y	43.2	Very low	46	Very low	199 Å²	199	139.5 Å²	139.5	78%	0.78	73%	0.731	S	S	*	*			trans	-56.3	118.7	157.4	-82.5	-89.6	0	0	0	107.4	F327	F327-Y329 PolarHBondContact O-N 2.99Å
330	G	41.1	Very low	44.9	Very low	61 Å²	61	141.2 Å²	141.2	63%	0.629	73%	0.733	S	S	*	*			trans	-53.1	142.8	-179.4	0	0	0	0	0	111.9	V328 L332	V328-G330 PolarHBondContact O-N 3.17Å; V328-G330 VanDerWaalsContact O-N 3.17Å; G330-L332 PolarHBondContact O-N 2.9Å
331	N	43.5	Very low	43.9	Very low	168 Å²	168	148 Å²	148	90%	0.898	75%	0.745	S	S	*	*			trans	-18.2	88.5	-178.6	-65.2	-25.6	0	0	0	114.7
332	L	44.6	Very low	43.1	Very low	144 Å²	144	147 Å²	147	75%	0.754	74%	0.741	S	S	*	*			trans	-80.4	129.8	163.4	-71.1	167.7	0	0	0	107.3	G330	G330-L332 PolarHBondContact O-N 2.9Å
333	E	39.4	Very low	42.9	Very low	174 Å²	174	154.5 Å²	154.5	81%	0.813	77%	0.768	S	S	*	*			trans	-54.1	142.5	177	-66.2	-175.8	162.4	0	0	110.3	I335	E333-I335 PolarHBondContact O-N 3.17Å
334	P	37	Very low	42.7	Very low	130 Å²	130	149.7 Å²	149.7	84%	0.844	76%	0.76	S	S	*	*			trans	-65.4	102.9	-177.9	-11.7	25.5	0	0	0	109.8	E336	P334-E336 PolarHBondContact O-N 2.91Å
335	I	47	Very low	42	Very low	145 Å²	145	145.8 Å²	145.8	74%	0.744	75%	0.748	S	S	*	*			trans	-72.6	121.1	163.5	-65.6	173.2	0	0	0	106.3	E333 V337	E333-I335 PolarHBondContact O-N 3.17Å; I335-V337 PolarHBondContact O-N 3.1Å
336	E	39.2	Very low	41.4	Very low	185 Å²	185	141.5 Å²	141.5	86%	0.864	74%	0.737	S	S	*	*			trans	-62.5	96	173.6	-75.6	-171.3	160.9	0	0	109.9	P334 Q338	P334-E336 PolarHBondContact O-N 2.91Å; E336-Q338 PolarHBondContact O-N 2.85Å; E336-Q338 VanDerWaalsContact O-N 3.09Å
337	V	36.8	Very low	41.2	Very low	113 Å²	113	140.8 Å²	140.8	69%	0.685	74%	0.744	S	S	*	*			trans	-77.2	96.2	173.1	-175.1	0	0	0	0	108.1	I335 T339	I335-V337 PolarHBondContact O-N 3.1Å; V337-T339 PolarHBondContact O-N 2.97Å
338	Q	36.5	Very low	41.2	Very low	171 Å²	171	135.9 Å²	135.9	80%	0.799	74%	0.735	S	S	*	*			trans	-58.4	109.9	160.8	-80.1	-171.5	-1.9	0	0	108	E336 V340	E336-Q338 PolarHBondContact O-N 2.85Å; E336-Q338 VanDerWaalsContact O-N 3.09Å; Q338-V340 PolarHBondContact O-N 2.97Å
339	T	35.9	Very low	41.4	Very low	127 Å²	127	140.3 Å²	140.3	78%	0.779	74%	0.74	S	S	*	*			trans	-74.9	82.3	-178.6	-15.6	0	0	0	0	108.9	V337 R341	V337-T339 PolarHBondContact O-N 2.97Å; T339-R341 PolarHBondContact O-N 3Å; T339-R341 VanDerWaalsContact O-N 3.16Å
340	V	39.8	Very low	41.5	Very low	110 Å²	110	140.3 Å²	140.3	67%	0.667	74%	0.739	S	S	*	*			trans	-66.5	112.6	164.6	-172.2	0	0	0	0	105.8	Q338 S342	Q338-V340 PolarHBondContact O-N 2.97Å; V340-S342 PolarHBondContact O-N 3.48Å
341	R	39.5	Very low	41.6	Very low	244 Å²	244	139.9 Å²	139.9	92%	0.921	73%	0.73	S	S	*	*			trans	-71.6	67.3	170.5	-72.5	-174.2	178	176.4	-0.1	109.7	T339	T339-R341 PolarHBondContact O-N 3Å; T339-R341 VanDerWaalsContact O-N 3.16Å
342	S	41	Very low	41.7	Very low	74 Å²	74	141.6 Å²	141.6	52%	0.517	73%	0.729	S	S	.	*			trans	-94.4	102.2	157.8	45.6	0	0	0	0	106.4	V340 N344	V340-S342 PolarHBondContact O-N 3.48Å; S342-N344 PolarHBondContact O-N 2.89Å
343	F	47.1	Very low	41.7	Very low	217 Å²	217	143.1 Å²	143.1	95%	0.952	73%	0.725	S	S	*	*			trans	-71.9	61.3	161.7	-129.8	-83.4	0	0	0	108
344	N	44.6	Very low	41.9	Very low	132 Å²	132	140 Å²	140	71%	0.706	72%	0.722	S	S	*	*			trans	-106.5	115.7	166.9	-81.7	-20.2	0	0	0	105.8	S342	S342-N344 PolarHBondContact O-N 2.89Å
345	V	42.4	Very low	42.2	Very low	91 Å²	91	140.6 Å²	140.6	55%	0.552	71%	0.713	S	S	*	*			trans	-46.7	128.3	168.4	-179.6	0	0	0	0	107.5	A347	V345-A347 PolarHBondContact O-N 3.3Å; V345-A347 VanDerWaalsContact O-N 3.11Å
346	P	41.7	Very low	42.1	Very low	77 Å²	77	140.2 Å²	140.2	50%	0.5	71%	0.712	S	S	.	*			trans	-50.9	123.8	178.1	-26.2	33.3	0	0	0	109.7	S348 Y349	P346-S348 WeakPolarHBondContact CB-OG 3.22Å; P346-S348 PolarHBondContact O-N 3.3Å; P346-Y349 PolarHBondContact O-N 3.34Å
347	A	43.3	Very low	42.4	Very low	78 Å²	78	140.4 Å²	140.4	65%	0.645	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-59.2	-17	178.8	0	0	0	0	0	112.5	V345 Y349 R350	V345-A347 PolarHBondContact O-N 3.3Å; V345-A347 VanDerWaalsContact O-N 3.11Å; A347-Y349 VanDerWaalsContact C-N 3.3Å; A347-Y349 PolarHBondContact O-N 2.91Å; A347-R350 PolarHBondContact O-N 2.94Å; A347-R350 VanDerWaalsContact O-N 3.13Å
348	S	44.5	Very low	42.8	Very low	98 Å²	98	138.6 Å²	138.6	69%	0.685	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-66.8	-23.2	171.4	52.5	0	0	0	0	114.5	P346	P346-S348 WeakPolarHBondContact CB-OG 3.22Å; P346-S348 PolarHBondContact O-N 3.3Å
349	Y	42.3	Very low	43.4	Very low	208 Å²	208	136.1 Å²	136.1	82%	0.816	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-87.7	-10	170.6	-101.1	-91.8	0	0	0	112.8	P346 A347	P346-Y349 PolarHBondContact O-N 3.34Å; A347-Y349 VanDerWaalsContact C-N 3.3Å; A347-Y349 PolarHBondContact O-N 2.91Å
350	R	45.1	Very low	44.1	Very low	200 Å²	200	134.2 Å²	134.2	76%	0.755	69%	0.687	S	S	*	*	S	Bend	trans	-91.8	3.1	176	-82.2	-170.4	173.7	-174.8	-2	114.2	A347	A347-R350 PolarHBondContact O-N 2.94Å; A347-R350 VanDerWaalsContact O-N 3.13Å
351	A	43.5	Very low	44.5	Very low	52 Å²	52	134.8 Å²	134.8	43%	0.43	68%	0.682	S	S	.	*			trans	-146.5	99.3	-176.9	0	0	0	0	0	112.9
352	K	44.5	Very low	45.1	Very low	203 Å²	203	130.6 Å²	130.6	88%	0.883	67%	0.671	S	S	*	*	S	Bend		-153.3	123.1	127.7	-103.6	171.1	-171.4	-175.2	0	108.8
353	R	44.7	Very low	45.8	Very low	177 Å²	177	129.6 Å²	129.6	67%	0.668	67%	0.667	S	S	*	*	S	Bend	trans	99.9	53.3	173.7	-55.7	172.4	-178.7	-167.8	3.8	117.8	G413 L414	R353-G413 WeakPolarHBondContact CD-O 3.49Å; R353-G413 VanDerWaalsContact CZ-CA 3.45Å; R353-G413 PolarHBondContact NE-O 3.4Å; R353-G413 PolarHBondContact NH1-O 3.32Å; R353-L414 HydrophobicContact CG-CD2 4.36Å
354	S	43.1	Very low	46.4	Very low	108 Å²	108	129 Å²	129	76%	0.755	66%	0.664	S	S	*	*			trans	165.4	65.9	139.1	59	0	0	0	0	111.1
355	H	43.4	Very low	47.3	Very low	143 Å²	143	128.9 Å²	128.9	66%	0.662	67%	0.668	S	S	*	*			trans	-116.5	55	160.5	-80.1	-46.2	0	0	0	109.6
356	L	46.1	Very low	48.4	Very low	136 Å²	136	128.7 Å²	128.7	71%	0.712	68%	0.676	S	S	*	*			trans	-85.9	91.9	145	-90.7	151.2	0	0	0	105.1	D358 H361	L356-D358 PolarHBondContact O-N 2.98Å; L356-H361 HydrophobicContact CD2-CB 4.32Å
357	K	44.7	Very low	49.7	Very low	189 Å²	189	131.1 Å²	131.1	82%	0.822	68%	0.68	S	S	*	*			trans	-69	19.7	-178.9	-95.2	-173.2	174.1	-174	0	113.7
358	D	45	Very low	50.9	Low	76 Å²	76	136 Å²	136	41%	0.406	69%	0.69	S	S	.	*			trans	-124.2	106.8	178.9	-158.5	-22.4	0	0	0	109.6	L356 S360 H361	L356-D358 PolarHBondContact O-N 2.98Å; D358-S360 PolarHBondContact O-N 3.19Å; D358-S360 WeakPolarHBondContact OD1-CB 3.21Å; D358-S360 PolarHBondContact OD1-N 2.95Å; D358-S360 PolarHBondContact OD1-OG 3.38Å; D358-S360 PolarHBondContact OD2-OG 3.29Å; D358-H361 HydrophobicContact CB-CB 4.48Å; D358-H361 PolarHBondContact O-N 3.39Å; D358-H361 IonicContact OD2-CD2 2.64Å
359	P	49.4	Very low	51.9	Low	118 Å²	118	136.4 Å²	136.4	77%	0.766	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-56.1	-20.7	176.2	-22.4	31.8	0	0	0	113.3	H361	P359-H361 PolarHBondContact O-N 2.78Å
360	S	50	Low	53	Low	88 Å²	88	132.5 Å²	132.5	62%	0.615	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-73.8	-11.9	176.4	69.1	0	0	0	0	114	D358	D358-S360 PolarHBondContact O-N 3.19Å; D358-S360 WeakPolarHBondContact OD1-CB 3.21Å; D358-S360 PolarHBondContact OD1-N 2.95Å; D358-S360 PolarHBondContact OD1-OG 3.38Å; D358-S360 PolarHBondContact OD2-OG 3.29Å
361	H	48.7	Very low	53.8	Low	121 Å²	121	128.6 Å²	128.6	56%	0.56	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-108.7	18.6	179.8	-76.1	-76.1	0	0	0	113.8	L356 D358 P359 A363	L356-H361 HydrophobicContact CD2-CB 4.32Å; D358-H361 HydrophobicContact CB-CB 4.48Å; D358-H361 PolarHBondContact O-N 3.39Å; D358-H361 IonicContact OD2-CD2 2.64Å; P359-H361 PolarHBondContact O-N 2.78Å; H361-A363 PolarHBondContact O-N 3.01Å
362	K	51.2	Low	54.8	Low	156 Å²	156	129.1 Å²	129.1	68%	0.678	68%	0.682	S	S	*	*			trans	-56.6	115.9	161.1	-97.5	-172.6	177.6	-177.7	0	107.2	K364	K362-K364 PolarHBondContact O-N 3.31Å
363	A	56.2	Low	55.7	Low	53 Å²	53	126.7 Å²	126.7	44%	0.438	68%	0.678	S	S	.	*			trans	-53.4	126.7	172.2	0	0	0	0	0	107.8	H361 T365 Y415	H361-A363 PolarHBondContact O-N 3.01Å; A363-T365 PolarHBondContact O-N 3.29Å; A363-Y415 HydrophobicContact CB-CE1 3.65Å
364	K	60.3	Low	56.7	Low	206 Å²	206	124.9 Å²	124.9	90%	0.896	68%	0.682	S	S	*	*			trans	-64.6	110.3	-178.8	-71	-176.4	178.7	-177.4	0	108	K362 A366	K362-K364 PolarHBondContact O-N 3.31Å; K364-A366 PolarHBondContact O-N 3.37Å
365	T	62.7	Low	57.6	Low	129 Å²	129	124.8 Å²	124.8	79%	0.791	67%	0.672	S	S	*	*			trans	-67.4	123.8	165.4	-46	0	0	0	0	107.2	A363	A363-T365 PolarHBondContact O-N 3.29Å
366	A	66.6	Low	58.4	Low	86 Å²	86	126.3 Å²	126.3	71%	0.711	69%	0.685	S	S	*	*			trans	-115.3	128.2	175.5	0	0	0	0	0	108	K364	K364-A366 PolarHBondContact O-N 3.37Å
367	H	68.3	Low	59.1	Low	128 Å²	128	123.3 Å²	123.3	59%	0.593	67%	0.673	S	S	*	*			trans	-79.4	120.5	170	-63.8	-86.3	0	0	0	107.8
368	Q	68.9	Low	60	Low	181 Å²	181	116.9 Å²	116.9	85%	0.846	65%	0.651	S	S	*	*			trans	-120.1	124.5	176.3	-171.7	169.8	15.9	0	0	108.7
369	S	65.8	Low	60.7	Low	106 Å²	106	118 Å²	118	74%	0.741	66%	0.66	S	S	*	*			trans	-70.9	135.4	170.3	55	0	0	0	0	109.3
370	V	66	Low	61.3	Low	126 Å²	126	120.8 Å²	120.8	76%	0.764	66%	0.663	S	S	*	*			trans	-71.1	141.5	169	-173.3	0	0	0	0	108.1	T372	V370-T372 PolarHBondContact O-N 3.48Å
371	D	61.1	Low	62	Low	118 Å²	118	122.3 Å²	122.3	63%	0.631	67%	0.665	S	S	*	*			trans	-66.8	112.8	176.1	-175.2	1.5	0	0	0	109.7	L373	D371-L373 VanDerWaalsContact OD1-CB 3.24Å; D371-L373 WeakPolarHBondContact OD1-CB 3.4Å; D371-L373 VanDerWaalsContact OD1-CD1 3.26Å; D371-L373 WeakPolarHBondContact OD1-CD1 3.45Å; D371-L373 WeakPolarHBondContact OD1-CG 3.14Å; D371-L373 PolarHBondContact OD1-N 2.76Å
372	T	64.7	Low	62.9	Low	64 Å²	64	119.3 Å²	119.3	39%	0.393	65%	0.652	S	S	.	*			trans	-111.6	26.8	176.7	63.3	0	0	0	0	112.1	V370 D374 L375	V370-T372 PolarHBondContact O-N 3.48Å; T372-D374 VanDerWaalsContact C-OD1 3.25Å; T372-D374 WeakPolarHBondContact CA-OD1 3.47Å; T372-D374 PolarHBondContact O-N 2.85Å; T372-L375 HydrophobicContact CG2-CD1 4.3Å; T372-L375 WeakPolarHBondContact O-CB 3.49Å; T372-L375 PolarHBondContact O-N 2.78Å
373	L	63	Low	64.2	Low	152 Å²	152	117 Å²	117	80%	0.796	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	-11.8	179.2	-74.1	170.1	0	0	0	113.9	D371	D371-L373 VanDerWaalsContact OD1-CB 3.24Å; D371-L373 WeakPolarHBondContact OD1-CB 3.4Å; D371-L373 VanDerWaalsContact OD1-CD1 3.26Å; D371-L373 WeakPolarHBondContact OD1-CD1 3.45Å; D371-L373 WeakPolarHBondContact OD1-CG 3.14Å; D371-L373 PolarHBondContact OD1-N 2.76Å
374	D	66.8	Low	65.4	Low	138 Å²	138	119.5 Å²	119.5	74%	0.738	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-21.4	172.1	64.9	-36.6	0	0	0	113.5	T372	T372-D374 VanDerWaalsContact C-OD1 3.25Å; T372-D374 WeakPolarHBondContact CA-OD1 3.47Å; T372-D374 PolarHBondContact O-N 2.85Å
375	L	61.9	Low	66.6	Low	107 Å²	107	111.2 Å²	111.2	56%	0.56	63%	0.625	S	S	*	*	S	Bend	trans	-87.2	112.8	168.1	-59.7	176.1	0	0	0	107	T372 V377	T372-L375 HydrophobicContact CG2-CD1 4.3Å; T372-L375 WeakPolarHBondContact O-CB 3.49Å; T372-L375 PolarHBondContact O-N 2.78Å; L375-V377 PolarHBondContact O-N 3.35Å
376	D	59	Low	67.8	Low	175 Å²	175	108.2 Å²	108.2	94%	0.936	60%	0.602	S	S	*	*	S	Bend	trans	-66.9	29.2	-176.5	-129.5	5.1	0	0	0	113.5
377	V	61.1	Low	68.9	Low	73 Å²	73	104.3 Å²	104.3	44%	0.442	57%	0.569	S	S	.	*			trans	-126.8	113	-174.1	-174.5	0	0	0	0	108.5	L375 N381 L382	L375-V377 PolarHBondContact O-N 3.35Å; V377-N381 HydrophobicContact CG1-CB 4.08Å; V377-L382 HydrophobicContact CG1-CD2 4.36Å
378	S	62.9	Low	70	Confident	53 Å²	53	98.3 Å²	98.3	37%	0.371	54%	0.541	S	S	.	.			trans	-70	154.9	173	66.8	0	0	0	0	111.4	E380 N381 L382	S378-E380 PolarHBondContact O-N 3.23Å; S378-E380 VanDerWaalsContact O-N 3.1Å; S378-N381 WeakPolarHBondContact O-CA 3.41Å; S378-N381 PolarHBondContact O-N 3.35Å; S378-N381 PolarHBondContact OG-ND2 3.29Å; S378-L382 PolarHBondContact O-N 3.46Å
379	V	61.2	Low	71	Confident	99 Å²	99	92.6 Å²	92.6	60%	0.6	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-53.8	-32.5	177.6	179.3	0	0	0	0	112.2	N381 L382	V379-N381 VanDerWaalsContact C-N 3.28Å; V379-N381 PolarHBondContact O-N 3.44Å; V379-L382 HydrophobicContact CG1-CD1 4.29Å; V379-L382 PolarHBondContact O-N 3.08Å
380	E	61.2	Low	72.1	Confident	178 Å²	178	88 Å²	88	83%	0.832	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-70.6	-21.2	177.5	-63.6	158	174.8	0	0	113.4	S378	S378-E380 PolarHBondContact O-N 3.23Å; S378-E380 VanDerWaalsContact O-N 3.1Å
381	N	64.5	Low	73.3	Confident	120 Å²	120	82 Å²	82	64%	0.642	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-100	4.9	178.8	-71.4	-50.5	0	0	0	112.9	V377 S378 V379	V377-N381 HydrophobicContact CG1-CB 4.08Å; S378-N381 WeakPolarHBondContact O-CA 3.41Å; S378-N381 PolarHBondContact O-N 3.35Å; S378-N381 PolarHBondContact OG-ND2 3.29Å; V379-N381 VanDerWaalsContact C-N 3.28Å; V379-N381 PolarHBondContact O-N 3.44Å
382	L	68.4	Low	74.8	Confident	58 Å²	58	76.8 Å²	76.8	30%	0.304	43%	0.426	S	S	.	.	S	Bend	trans	-67	137.6	175.1	-74.9	170.5	0	0	0	110.7	V377 S378 V379 M384 T422	V377-L382 HydrophobicContact CG1-CD2 4.36Å; S378-L382 PolarHBondContact O-N 3.46Å; V379-L382 HydrophobicContact CG1-CD1 4.29Å; V379-L382 PolarHBondContact O-N 3.08Å; L382-M384 PolarHBondContact O-N 2.77Å; L382-T422 HydrophobicContact CD1-CG2 4.37Å
383	P	77.4	Confident	75.9	Confident	106 Å²	106	76.6 Å²	76.6	69%	0.688	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-62	136.6	174.4	26.5	-32.6	0	0	0	110.1	S385	P383-S385 PolarHBondContact O-N 3.18Å
384	M	82.2	Confident	77.1	Confident	106 Å²	106	70.1 Å²	70.1	52%	0.522	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-60.3	126.3	175.4	-60.3	-57.3	-66.2	0	0	109.4	L382 S426	L382-M384 PolarHBondContact O-N 2.77Å; M384-S426 VanDerWaalsContact CE-CA 3.41Å
385	S	84.3	Confident	78.2	Confident	33 Å²	33	63.7 Å²	63.7	23%	0.231	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-75.2	142.7	175.6	-60.7	0	0	0	0	110	P383 N424 F425	P383-S385 PolarHBondContact O-N 3.18Å; S385-N424 WeakPolarHBondContact CB-O 3.47Å; S385-N424 PolarHBondContact N-O 2.87Å; S385-F425 VanDerWaalsContact CB-CE1 3.44Å; S385-F425 WeakPolarHBondContact O-CD1 3.3Å
386	E	88.5	Confident	79.4	Confident	66 Å²	66	60 Å²	60	31%	0.308	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-82.5	120.8	173.6	-160.6	-82.1	131.9	0	0	109.3	V388 S389 A390 R443	E386-V388 VanDerWaalsContact C-N 3.35Å; E386-V388 PolarHBondContact O-N 3.48Å; E386-V388 WeakPolarHBondContact OE1-CB 3.47Å; E386-V388 PolarHBondContact OE1-N 3.24Å; E386-S389 PolarHBondContact O-N 3.24Å; E386-S389 WeakPolarHBondContact OE2-CA 3.23Å; E386-S389 WeakPolarHBondContact OE2-CB 3.29Å; E386-S389 PolarHBondContact OE2-N 2.91Å; E386-S389 PolarHBondContact OE2-OG 3.48Å; E386-A390 WeakPolarHBondContact O-CB 3.38Å; E386-A390 PolarHBondContact O-N 3.13Å; E386-R443 IonicContact OE1-NH1 2.61Å
387	E	90.6	Very high	80.6	Confident	3 Å²	3	52.8 Å²	52.8	1%	0.014	30%	0.297	C	S	.	.	H	α-helix	trans	-59.2	-42.6	-169.2	-69	77.9	170.2	0	0	111.8	T391 F425 S426 S427 V439 R443	E387-T391 WeakPolarHBondContact O-CB 3.36Å; E387-T391 PolarHBondContact O-N 3.05Å; E387-T391 VanDerWaalsContact O-N 3.13Å; E387-T391 PolarHBondContact O-OG1 3.41Å; E387-F425 HydrophobicContact CB-CD1 4.3Å; E387-F425 HydrophobicContact CG-CB 4.09Å; E387-F425 HydrophobicContact CG-CD1 3.63Å; E387-F425 HydrophobicContact CG-CE1 4.3Å; E387-F425 HydrophobicContact CG-CG 4.01Å; E387-S426 PolarHBondContact OE1-N 3.5Å; E387-S426 VanDerWaalsContact OE1-N 3.13Å; E387-S426 PolarHBondContact OE1-OG 3.46Å; E387-S427 PolarHBondContact OE1-N 3.35Å; E387-S427 PolarHBondContact OE1-OG 2.97Å; E387-V439 HydrophobicContact CB-CG1 4.24Å; E387-V439 HydrophobicContact CG-CG1 4.02Å; E387-R443 IonicContact OE1-NH2 3.26Å; E387-R443 PolarHBondContact OE1-NH2 2.87Å; E387-R443 IonicContact OE2-CZ 2.69Å; E387-R443 IonicContact OE2-NH1 2.89Å; E387-R443 PolarHBondContact OE2-NH1 3.17Å; E387-R443 IonicContact OE2-NH2 2.85Å; E387-R443 PolarHBondContact OE2-NH2 3.47Å
388	V	90.9	Very high	81.6	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.012	30%	0.301	C	S	.	.	H	α-helix	trans	-69.9	-52.5	-177.8	-178.9	0	0	0	0	110.8	F140 E386 A390 T391 L392 I440 F448	F140-V388 HydrophobicContact CE1-CG1 4.06Å; F140-V388 HydrophobicContact CE2-CG1 4.42Å; F140-V388 HydrophobicContact CZ-CG1 3.55Å; F140-V388 HydrophobicContact CZ-CG2 4.47Å; E386-V388 VanDerWaalsContact C-N 3.35Å; E386-V388 PolarHBondContact O-N 3.48Å; E386-V388 WeakPolarHBondContact OE1-CB 3.47Å; E386-V388 PolarHBondContact OE1-N 3.24Å; V388-A390 PolarHBondContact O-N 3.37Å; V388-T391 PolarHBondContact O-N 3.1Å; V388-L392 HydrophobicContact CG1-CD1 3.7Å; V388-L392 HydrophobicContact CG1-CG 4.1Å; V388-L392 WeakPolarHBondContact O-CB 3.04Å; V388-L392 VanDerWaalsContact O-CG 3.26Å; V388-L392 WeakPolarHBondContact O-CG 3.4Å; V388-L392 PolarHBondContact O-N 3.11Å; V388-I440 HydrophobicContact CG2-CD1 4.16Å; V388-I440 HydrophobicContact CG2-CG2 3.76Å; V388-F448 HydrophobicContact CB-CD1 4.11Å; V388-F448 HydrophobicContact CB-CE1 4.08Å; V388-F448 HydrophobicContact CB-CG 4.41Å; V388-F448 HydrophobicContact CB-CZ 4.36Å; V388-F448 HydrophobicContact CG1-CB 3.84Å; V388-F448 HydrophobicContact CG1-CD1 3.63Å; V388-F448 HydrophobicContact CG1-CD2 3.95Å; V388-F448 HydrophobicContact CG1-CE1 4.09Å; V388-F448 HydrophobicContact CG1-CE2 4.38Å; V388-F448 HydrophobicContact CG1-CG 3.54Å; V388-F448 HydrophobicContact CG1-CZ 4.44Å; V388-F448 HydrophobicContact CG2-CE1 4.37Å; V388-F448 HydrophobicContact CG2-CE2 4.27Å; V388-F448 HydrophobicContact CG2-CZ 4.15Å
389	S	88.8	Confident	82.4	Confident	62 Å²	62	53.8 Å²	53.8	43%	0.434	29%	0.289	S	S	.	.	H	α-helix	trans	-60.5	-46.6	-176.9	-59	0	0	0	0	111.3	E386 T391 L392 L393	E386-S389 PolarHBondContact O-N 3.24Å; E386-S389 WeakPolarHBondContact OE2-CA 3.23Å; E386-S389 WeakPolarHBondContact OE2-CB 3.29Å; E386-S389 PolarHBondContact OE2-N 2.91Å; E386-S389 PolarHBondContact OE2-OG 3.48Å; S389-T391 PolarHBondContact O-N 3.36Å; S389-L392 PolarHBondContact O-N 2.99Å; S389-L393 WeakPolarHBondContact O-CB 3.47Å; S389-L393 PolarHBondContact O-N 3.37Å
390	A	90	Very high	83.1	Confident	10 Å²	10	56.8 Å²	56.8	8%	0.083	30%	0.301	C	S	.	.	H	α-helix	trans	-62.1	-44.1	177.4	0	0	0	0	0	111.7	F149 E386 V388 L393 C394 Y423 F425	F149-A390 HydrophobicContact CZ-CB 4.46Å; E386-A390 WeakPolarHBondContact O-CB 3.38Å; E386-A390 PolarHBondContact O-N 3.13Å; V388-A390 PolarHBondContact O-N 3.37Å; A390-L393 PolarHBondContact O-N 3.33Å; A390-C394 PolarHBondContact O-N 3.17Å; A390-C394 PolarHBondContact O-SG 3.07Å; A390-Y423 HydrophobicContact CB-CD1 4.03Å; A390-Y423 HydrophobicContact CB-CE1 3.85Å; A390-F425 HydrophobicContact CB-CE1 3.72Å; A390-F425 HydrophobicContact CB-CZ 3.65Å
391	T	91.6	Very high	83.9	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.1	-43.3	179.7	-56.9	0	0	0	0	112.2	I143 M145 I148 E387 V388 S389 L393 S395 L436	I143-T391 HydrophobicContact CD1-CG2 4.37Å; I143-T391 HydrophobicContact CG2-CG2 3.55Å; M145-T391 HydrophobicContact SD-CG2 4.42Å; I148-T391 HydrophobicContact CD1-CG2 3.56Å; E387-T391 WeakPolarHBondContact O-CB 3.36Å; E387-T391 PolarHBondContact O-N 3.05Å; E387-T391 VanDerWaalsContact O-N 3.13Å; E387-T391 PolarHBondContact O-OG1 3.41Å; V388-T391 PolarHBondContact O-N 3.1Å; S389-T391 PolarHBondContact O-N 3.36Å; T391-L393 VanDerWaalsContact C-N 3.33Å; T391-S395 WeakPolarHBondContact O-CB 3.44Å; T391-S395 PolarHBondContact O-N 2.96Å; T391-S395 PolarHBondContact O-OG 3.01Å; T391-L436 HydrophobicContact CG2-CD1 4.3Å; T391-L436 HydrophobicContact CG2-CD2 3.9Å; T391-L436 HydrophobicContact CG2-CG 4.49Å
392	L	91.4	Very high	84.3	Confident	7 Å²	7	49.9 Å²	49.9	4%	0.037	28%	0.282	C	S	.	.	H	α-helix	trans	-66.1	-37.8	177.6	-70.1	-177.1	0	0	0	111.6	P103 L139 F140 I143 V388 S389 S395 L396 F448 F467	P103-L392 HydrophobicContact CB-CB 4.34Å; P103-L392 HydrophobicContact CB-CD1 4.08Å; P103-L392 HydrophobicContact CG-CB 4.04Å; P103-L392 HydrophobicContact CG-CD1 4.23Å; P103-L392 HydrophobicContact CG-CD2 4.4Å; P103-L392 HydrophobicContact CG-CG 4.47Å; L139-L392 HydrophobicContact CD2-CD2 3.62Å; L139-L392 HydrophobicContact CG-CD2 4.35Å; F140-L392 HydrophobicContact CE1-CD1 4.44Å; F140-L392 HydrophobicContact CE1-CD2 4.18Å; I143-L392 HydrophobicContact CD1-CD2 4.3Å; V388-L392 HydrophobicContact CG1-CD1 3.7Å; V388-L392 HydrophobicContact CG1-CG 4.1Å; V388-L392 WeakPolarHBondContact O-CB 3.04Å; V388-L392 VanDerWaalsContact O-CG 3.26Å; V388-L392 WeakPolarHBondContact O-CG 3.4Å; V388-L392 PolarHBondContact O-N 3.11Å; S389-L392 PolarHBondContact O-N 2.99Å; L392-S395 WeakPolarHBondContact O-CB 3.28Å; L392-S395 PolarHBondContact O-N 2.79Å; L392-L396 WeakPolarHBondContact O-CG 3.29Å; L392-L396 PolarHBondContact O-N 2.91Å; L392-F448 HydrophobicContact CD1-CB 4.03Å; L392-F467 HydrophobicContact CD2-CE1 4.21Å
393	L	89.3	Confident	84.5	Confident	61 Å²	61	54.9 Å²	54.9	32%	0.319	30%	0.304	S	S	.	.	H	α-helix	trans	-65.4	-47.3	177.9	-173.1	70.5	0	0	0	111.6	S389 A390 T391 S395 L396 E397 I405	S389-L393 WeakPolarHBondContact O-CB 3.47Å; S389-L393 PolarHBondContact O-N 3.37Å; A390-L393 PolarHBondContact O-N 3.33Å; T391-L393 VanDerWaalsContact C-N 3.33Å; L393-S395 PolarHBondContact O-N 2.77Å; L393-L396 WeakPolarHBondContact O-CB 3.32Å; L393-L396 PolarHBondContact O-N 2.66Å; L393-L396 VanDerWaalsContact O-N 3.13Å; L393-E397 PolarHBondContact O-N 3.32Å; L393-I405 HydrophobicContact CB-CD1 4.47Å; L393-I405 HydrophobicContact CD1-CD1 3.85Å; L393-I405 HydrophobicContact CD2-CD1 3.36Å; L393-I405 HydrophobicContact CD2-CG1 4.35Å; L393-I405 HydrophobicContact CG-CD1 3.24Å
394	C	88.2	Confident	84.6	Confident	15 Å²	15	56.3 Å²	56.3	10%	0.101	30%	0.304	C	S	.	.	H	α-helix	trans	-60.5	-32.2	172.6	-66	0	0	0	0	112.5	I148 A390 Y423	I148-C394 HydrophobicContact CG2-CB 3.55Å; A390-C394 PolarHBondContact O-N 3.17Å; A390-C394 PolarHBondContact O-SG 3.07Å; C394-Y423 PolarHBondContact SG-OH 3.45Å; C394-Y423 VanDerWaalsContact SG-OH 3.42Å
395	S	89	Confident	84.5	Confident	4 Å²	4	52.2 Å²	52.2	3%	0.028	29%	0.285	C	S	.	.	H	α-helix	trans	-73.5	-34.8	176.5	-57.7	0	0	0	0	112.2	T391 L392 L393 K398	T391-S395 WeakPolarHBondContact O-CB 3.44Å; T391-S395 PolarHBondContact O-N 2.96Å; T391-S395 PolarHBondContact O-OG 3.01Å; L392-S395 WeakPolarHBondContact O-CB 3.28Å; L392-S395 PolarHBondContact O-N 2.79Å; L393-S395 PolarHBondContact O-N 2.77Å; S395-K398 PolarHBondContact O-N 3.46Å
396	L	87.5	Confident	84.4	Confident	30 Å²	30	52.3 Å²	52.3	16%	0.157	29%	0.285	C	S	.	.	H	α-helix	trans	-67	-36.6	174.4	-81.6	174.1	0	0	0	112.5	W102 P103 L392 L393 K398 E399 L400 K401 F467	W102-L396 HydrophobicContact CE3-CD2 3.88Å; W102-L396 HydrophobicContact CZ3-CD2 4.19Å; P103-L396 HydrophobicContact CB-CD1 4.19Å; P103-L396 HydrophobicContact CG-CD1 3.77Å; P103-L396 HydrophobicContact CG-CD2 4.18Å; P103-L396 HydrophobicContact CG-CG 3.92Å; L392-L396 WeakPolarHBondContact O-CG 3.29Å; L392-L396 PolarHBondContact O-N 2.91Å; L393-L396 WeakPolarHBondContact O-CB 3.32Å; L393-L396 PolarHBondContact O-N 2.66Å; L393-L396 VanDerWaalsContact O-N 3.13Å; L396-K398 VanDerWaalsContact C-N 3.32Å; L396-K398 PolarHBondContact O-N 2.79Å; L396-E399 CarbonylContact O-C 3.55Å; L396-E399 WeakPolarHBondContact O-CA 3.33Å; L396-E399 WeakPolarHBondContact O-CB 3.19Å; L396-E399 PolarHBondContact O-N 3.43Å; L396-L400 PolarHBondContact O-N 3.22Å; L396-K401 CarbonylContact C-O 3.47Å; L396-K401 HydrophobicContact CD2-CB 4.15Å; L396-K401 PolarHBondContact O-N 3.24Å; L396-K401 VanDerWaalsContact O-N 3.09Å; L396-K401 VanDerWaalsContact O-O 3.11Å; L396-F467 HydrophobicContact CD2-CD2 4.41Å; L396-F467 HydrophobicContact CD2-CE2 3.78Å; L396-F467 HydrophobicContact CD2-CZ 3.93Å; L396-F467 HydrophobicContact CG-CE2 4.1Å; L396-F467 HydrophobicContact CG-CZ 3.89Å
397	E	84.6	Confident	84	Confident	22 Å²	22	55.5 Å²	55.5	10%	0.103	30%	0.3	C	S	.	.	H	α-helix	trans	-60.2	-41.9	175.9	179.8	175.4	-156.8	0	0	112.1	L393 E399 L400 L404 I405 S406	L393-E397 PolarHBondContact O-N 3.32Å; E397-E399 PolarHBondContact O-N 2.92Å; E397-E399 VanDerWaalsContact O-N 3.16Å; E397-L400 WeakPolarHBondContact O-CA 3.49Å; E397-L400 PolarHBondContact O-N 2.96Å; E397-L404 HydrophobicContact CG-CD1 4.28Å; E397-L404 VanDerWaalsContact OE1-CD1 3.3Å; E397-L404 WeakPolarHBondContact OE1-CD1 3.07Å; E397-I405 PolarHBondContact OE1-N 3.49Å; E397-S406 WeakPolarHBondContact OE1-CA 3.49Å; E397-S406 WeakPolarHBondContact OE1-CB 3.43Å; E397-S406 PolarHBondContact OE1-N 2.74Å; E397-S406 PolarHBondContact OE1-OG 2.69Å; E397-S406 PolarHBondContact OE2-N 2.89Å; E397-S406 PolarHBondContact OE2-OG 2.85Å
398	K	80.4	Confident	83.5	Confident	123 Å²	123	59.5 Å²	59.5	54%	0.535	33%	0.328	S	S	.	.	H	α-helix	trans	-59.7	-25.4	174.1	-68.2	-180	-179.7	177.5	0	112.7	S147 S395 L396 L400	S147-K398 PolarHBondContact O-NZ 3.01Å; S395-K398 PolarHBondContact O-N 3.46Å; L396-K398 VanDerWaalsContact C-N 3.32Å; L396-K398 PolarHBondContact O-N 2.79Å; K398-L400 VanDerWaalsContact C-N 3.32Å
399	E	79.6	Confident	83	Confident	24 Å²	24	62.9 Å²	62.9	11%	0.112	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	6.2	176.9	-65.9	-70.3	111.9	0	0	113.3	L396 E397 K401 H460 S464 S465 F467	L396-E399 CarbonylContact O-C 3.55Å; L396-E399 WeakPolarHBondContact O-CA 3.33Å; L396-E399 WeakPolarHBondContact O-CB 3.19Å; L396-E399 PolarHBondContact O-N 3.43Å; E397-E399 PolarHBondContact O-N 2.92Å; E397-E399 VanDerWaalsContact O-N 3.16Å; E399-K401 PolarHBondContact O-N 3.04Å; E399-H460 IonicContact OE2-CE1 3.17Å; E399-H460 PolarHBondContact OE2-CE1 2.84Å; E399-H460 IonicContact OE2-NE2 3.76Å; E399-H460 PolarHBondContact OE2-NE2 2.64Å; E399-S464 PolarHBondContact OE1-OG 3.37Å; E399-S465 VanDerWaalsContact CD-CA 3.48Å; E399-S465 VanDerWaalsContact CD-OG 3.25Å; E399-S465 WeakPolarHBondContact OE1-CA 3.48Å; E399-S465 PolarHBondContact OE1-N 2.78Å; E399-S465 WeakPolarHBondContact OE2-CB 3.41Å; E399-S465 PolarHBondContact OE2-OG 2.88Å; E399-F467 HydrophobicContact CG-CD2 3.91Å; E399-F467 HydrophobicContact CG-CE2 4.02Å
400	L	77.3	Confident	82.3	Confident	163 Å²	163	63.2 Å²	63.2	85%	0.853	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	32.4	-176.3	-53.6	174.6	0	0	0	112.3	L396 E397 K398	L396-L400 PolarHBondContact O-N 3.22Å; E397-L400 WeakPolarHBondContact O-CA 3.49Å; E397-L400 PolarHBondContact O-N 2.96Å; K398-L400 VanDerWaalsContact C-N 3.32Å
401	K	77.2	Confident	81.5	Confident	82 Å²	82	66.9 Å²	66.9	36%	0.357	38%	0.377	S	S	.	.			trans	-114.7	133.8	175.3	-84.2	-165.9	168.9	-173.1	0	110.2	W102 L396 E399 E454	W102-K401 HydrophobicContact CD2-CD 4.41Å; W102-K401 HydrophobicContact CE3-CD 4.09Å; W102-K401 HydrophobicContact CH2-CD 3.77Å; W102-K401 HydrophobicContact CZ2-CD 4.14Å; W102-K401 HydrophobicContact CZ3-CD 3.75Å; L396-K401 CarbonylContact C-O 3.47Å; L396-K401 HydrophobicContact CD2-CB 4.15Å; L396-K401 PolarHBondContact O-N 3.24Å; L396-K401 VanDerWaalsContact O-N 3.09Å; L396-K401 VanDerWaalsContact O-O 3.11Å; E399-K401 PolarHBondContact O-N 3.04Å; K401-E454 IonicContact NZ-OE2 3.81Å
402	G	72.8	Confident	80.1	Confident	70 Å²	70	71.4 Å²	71.4	72%	0.722	40%	0.401	S	S	*	.	S	Bend	trans	91.5	-161.1	-179.4	0	0	0	0	0	112.8
403	H	73.9	Confident	78.6	Confident	164 Å²	164	71.8 Å²	71.8	76%	0.759	41%	0.406	S	S	*	.			trans	-81.9	142.9	178.7	-66.7	-66.5	0	0	0	110.9	I405	H403-I405 WeakPolarHBondContact O-CD1 3.39Å
404	L	78.6	Confident	77.1	Confident	135 Å²	135	74.7 Å²	74.7	71%	0.707	42%	0.421	S	S	*	.			trans	-70.7	129.1	172.2	-168.7	76.6	0	0	0	109	E397 S406	E397-L404 HydrophobicContact CG-CD1 4.28Å; E397-L404 VanDerWaalsContact OE1-CD1 3.3Å; E397-L404 WeakPolarHBondContact OE1-CD1 3.07Å; L404-S406 WeakPolarHBondContact CD1-O 3.12Å; L404-S406 WeakPolarHBondContact CG-O 3.47Å
405	I	80.6	Confident	76	Confident	21 Å²	21	79.9 Å²	79.9	11%	0.108	44%	0.44	C	S	.	.			trans	-121.9	-24.3	-172.2	-66.7	148.6	0	0	0	111.2	L393 E397 H403 Q421 Y423	L393-I405 HydrophobicContact CB-CD1 4.47Å; L393-I405 HydrophobicContact CD1-CD1 3.85Å; L393-I405 HydrophobicContact CD2-CD1 3.36Å; L393-I405 HydrophobicContact CD2-CG1 4.35Å; L393-I405 HydrophobicContact CG-CD1 3.24Å; E397-I405 PolarHBondContact OE1-N 3.49Å; H403-I405 WeakPolarHBondContact O-CD1 3.39Å; I405-Q421 HydrophobicContact CG2-CB 4.34Å; I405-Q421 HydrophobicContact CG2-CG 3.85Å; I405-Y423 WeakPolarHBondContact CG2-OH 3.15Å
406	S	81.6	Confident	75.1	Confident	34 Å²	34	83 Å²	83	24%	0.238	46%	0.459	C	S	.	.			trans	-118.5	142.5	176	71.6	0	0	0	0	110.6	E397 L404 G419	E397-S406 WeakPolarHBondContact OE1-CA 3.49Å; E397-S406 WeakPolarHBondContact OE1-CB 3.43Å; E397-S406 PolarHBondContact OE1-N 2.74Å; E397-S406 PolarHBondContact OE1-OG 2.69Å; E397-S406 PolarHBondContact OE2-N 2.89Å; E397-S406 PolarHBondContact OE2-OG 2.85Å; L404-S406 WeakPolarHBondContact CD1-O 3.12Å; L404-S406 WeakPolarHBondContact CG-O 3.47Å; S406-G419 CarbonylContact C-O 3.49Å; S406-G419 WeakPolarHBondContact CA-O 3.41Å; S406-G419 WeakPolarHBondContact CB-O 3.47Å
407	E	81.3	Confident	74.6	Confident	134 Å²	134	86 Å²	86	63%	0.626	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	122.5	172.5	-172	175.9	-173.8	0	0	108.5	V409 I418 G419	E407-V409 HydrophobicContact CG-CG2 4.11Å; E407-I418 CarbonylContact O-C 3.6Å; E407-I418 WeakPolarHBondContact O-CA 3.22Å; E407-G419 PolarHBondContact N-O 2.74Å; E407-G419 PolarHBondContact O-N 3.39Å
408	S	78.1	Confident	74.2	Confident	86 Å²	86	89.4 Å²	89.4	60%	0.601	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	116.6	175.7	65.8	0	0	0	0	110.3	D417	S408-D417 CarbonylContact C-O 3.56Å; S408-D417 WeakPolarHBondContact CA-O 3.01Å
409	V	80.8	Confident	74.1	Confident	74 Å²	74	85.5 Å²	85.5	45%	0.448	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	118.6	178.5	-178	0	0	0	0	109.2	E407 T411 D417	E407-V409 HydrophobicContact CG-CG2 4.11Å; V409-T411 PolarHBondContact O-N 2.96Å; V409-D417 PolarHBondContact N-O 3.05Å; V409-D417 PolarHBondContact O-N 3.46Å
410	A	74.6	Confident	74	Confident	68 Å²	68	88.2 Å²	88.2	56%	0.562	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	113.2	172.9	0	0	0	0	0	109.6
411	T	72.4	Confident	74.1	Confident	88 Å²	88	85.5 Å²	85.5	54%	0.54	49%	0.489	S	S	.	.	S	Bend	trans	-78.1	-48.5	-173.6	-7.6	0	0	0	0	111.8	V409 Y415 D417	V409-T411 PolarHBondContact O-N 2.96Å; T411-Y415 PolarHBondContact N-O 3.07Å; T411-D417 PolarHBondContact OG1-OD2 3.38Å
412	D	64.1	Low	74.3	Confident	95 Å²	95	86.6 Å²	86.6	51%	0.508	50%	0.503	S	S	.	.	S	Bend	trans	-141.9	14.7	-176.2	69.6	-4.3	0	0	0	114.1	L414 Y415	D412-L414 PolarHBondContact O-N 3.41Å; D412-L414 PolarHBondContact OD1-N 2.98Å; D412-Y415 WeakPolarHBondContact OD1-CD2 3.18Å; D412-Y415 PolarHBondContact OD1-N 3.13Å; D412-Y415 VanDerWaalsContact OD2-CD2 3.28Å; D412-Y415 WeakPolarHBondContact OD2-CD2 3.24Å
413	G	58.2	Low	74.9	Confident	14 Å²	14	84.7 Å²	84.7	14%	0.144	47%	0.474	C	S	.	.	S	Bend	trans	76.1	-4.5	-177.9	0	0	0	0	0	114.8	R353	R353-G413 WeakPolarHBondContact CD-O 3.49Å; R353-G413 VanDerWaalsContact CZ-CA 3.45Å; R353-G413 PolarHBondContact NE-O 3.4Å; R353-G413 PolarHBondContact NH1-O 3.32Å
414	L	57.6	Low	75.5	Confident	122 Å²	122	79.4 Å²	79.4	64%	0.639	45%	0.451	S	S	*	.	S	Bend	trans	-107.2	-33.5	168.1	-65.9	172.9	0	0	0	111.1	R353 D412	R353-L414 HydrophobicContact CG-CD2 4.36Å; D412-L414 PolarHBondContact O-N 3.41Å; D412-L414 PolarHBondContact OD1-N 2.98Å
415	Y	66.1	Low	75.9	Confident	124 Å²	124	73.2 Å²	73.2	49%	0.486	42%	0.419	S	S	.	.			trans	-106	145	175.3	-54.9	-74.6	0	0	0	111.6	A363 T411 D412	A363-Y415 HydrophobicContact CB-CE1 3.65Å; T411-Y415 PolarHBondContact N-O 3.07Å; D412-Y415 WeakPolarHBondContact OD1-CD2 3.18Å; D412-Y415 PolarHBondContact OD1-N 3.13Å; D412-Y415 VanDerWaalsContact OD2-CD2 3.28Å; D412-Y415 WeakPolarHBondContact OD2-CD2 3.24Å
416	V	70.8	Confident	76.2	Confident	70 Å²	70	76 Å²	76	42%	0.424	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	115.5	171.2	-177.2	0	0	0	0	106.2	I418	V416-I418 HydrophobicContact CG1-CD1 4.45Å; V416-I418 HydrophobicContact CG1-CG1 3.92Å
417	D	76.5	Confident	76.4	Confident	94 Å²	94	76.3 Å²	76.3	50%	0.503	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	127.3	171.7	-62.5	-47.5	0	0	0	107.7	S408 V409 T411	S408-D417 CarbonylContact C-O 3.56Å; S408-D417 WeakPolarHBondContact CA-O 3.01Å; V409-D417 PolarHBondContact N-O 3.05Å; V409-D417 PolarHBondContact O-N 3.46Å; T411-D417 PolarHBondContact OG1-OD2 3.38Å
418	I	75.9	Confident	76.6	Confident	92 Å²	92	71.4 Å²	71.4	47%	0.472	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	112	-177.7	-55.5	175.4	0	0	0	107.9	E407 V416 T420	E407-I418 CarbonylContact O-C 3.6Å; E407-I418 WeakPolarHBondContact O-CA 3.22Å; V416-I418 HydrophobicContact CG1-CD1 4.45Å; V416-I418 HydrophobicContact CG1-CG1 3.92Å; I418-T420 HydrophobicContact CG2-CG2 4.03Å
419	G	78.2	Confident	77.2	Confident	42 Å²	42	71 Å²	71	43%	0.433	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	130.3	168.9	0	0	0	0	0	110	S406 E407	S406-G419 CarbonylContact C-O 3.49Å; S406-G419 WeakPolarHBondContact CA-O 3.41Å; S406-G419 WeakPolarHBondContact CB-O 3.47Å; E407-G419 PolarHBondContact N-O 2.74Å; E407-G419 PolarHBondContact O-N 3.39Å
420	T	78.1	Confident	77.7	Confident	80 Å²	80	67.7 Å²	67.7	49%	0.491	40%	0.399	S	S	.	.			trans	-135.2	161	176.5	48.7	0	0	0	0	110.1	I418	I418-T420 HydrophobicContact CG2-CG2 4.03Å
421	Q	79.7	Confident	78.4	Confident	106 Å²	106	72 Å²	72	50%	0.495	40%	0.401	S	S	.	.			trans	-64.1	148	169.8	-67.5	-178	15.4	0	0	111	I405 Y423	I405-Q421 HydrophobicContact CG2-CB 4.34Å; I405-Q421 HydrophobicContact CG2-CG 3.85Å; Q421-Y423 HydrophobicContact CB-CE2 4.14Å; Q421-Y423 WeakPolarHBondContact O-CD2 3.4Å; Q421-Y423 WeakPolarHBondContact O-CE2 3.15Å
422	T	80.4	Confident	79.2	Confident	106 Å²	106	69.6 Å²	69.6	65%	0.65	39%	0.387	S	S	*	.			trans	-79.5	122.3	173.6	-53.3	0	0	0	0	109.8	L382	L382-T422 HydrophobicContact CD1-CG2 4.37Å
423	Y	84.6	Confident	80.4	Confident	30 Å²	30	70.4 Å²	70.4	12%	0.118	39%	0.391	C	S	.	.			trans	-105.8	145.2	177.4	-64.9	-80.7	0	0	0	110.9	F149 A390 C394 I405 Q421 F425	F149-Y423 HydrophobicContact CD1-CD2 4.02Å; F149-Y423 HydrophobicContact CD1-CE2 4.49Å; F149-Y423 HydrophobicContact CE1-CD1 4.45Å; F149-Y423 AromaticContact CE1-CD2 3.51Å; F149-Y423 HydrophobicContact CE1-CD2 3.51Å; F149-Y423 AromaticContact CE1-CE2 3.7Å; F149-Y423 HydrophobicContact CE1-CE2 3.7Å; F149-Y423 AromaticContact CE1-CG 3.91Å; F149-Y423 HydrophobicContact CE1-CG 3.91Å; A390-Y423 HydrophobicContact CB-CD1 4.03Å; A390-Y423 HydrophobicContact CB-CE1 3.85Å; C394-Y423 PolarHBondContact SG-OH 3.45Å; C394-Y423 VanDerWaalsContact SG-OH 3.42Å; I405-Y423 WeakPolarHBondContact CG2-OH 3.15Å; Q421-Y423 HydrophobicContact CB-CE2 4.14Å; Q421-Y423 WeakPolarHBondContact O-CD2 3.4Å; Q421-Y423 WeakPolarHBondContact O-CE2 3.15Å; Y423-F425 HydrophobicContact CD1-CZ 4.02Å; Y423-F425 HydrophobicContact CG-CE2 4.35Å; Y423-F425 HydrophobicContact CG-CZ 4.11Å
424	N	86.6	Confident	82	Confident	52 Å²	52	70.1 Å²	70.1	28%	0.278	39%	0.388	S	S	.	.			trans	-130.7	111.1	173.2	-175.8	6.5	0	0	0	109	S385	S385-N424 WeakPolarHBondContact CB-O 3.47Å; S385-N424 PolarHBondContact N-O 2.87Å
425	F	88.9	Confident	83.8	Confident	6 Å²	6	65.4 Å²	65.4	3%	0.026	36%	0.364	C	S	.	.			trans	-111.1	143.7	-176	-64	-58.3	0	0	0	112	F149 M152 S385 E387 A390 Y423 S427 A428 F430	F149-F425 HydrophobicContact CD1-CE2 4.12Å; F149-F425 AromaticContact CD2-CE2 3.96Å; F149-F425 HydrophobicContact CD2-CE2 3.96Å; F149-F425 AromaticContact CE1-CE2 3.97Å; F149-F425 HydrophobicContact CE1-CE2 3.97Å; F149-F425 HydrophobicContact CE1-CZ 4.12Å; F149-F425 AromaticContact CE2-CE2 3.8Å; F149-F425 HydrophobicContact CE2-CE2 3.8Å; F149-F425 AromaticContact CE2-CZ 3.95Å; F149-F425 HydrophobicContact CE2-CZ 3.95Å; F149-F425 HydrophobicContact CG-CE2 4.11Å; F149-F425 AromaticContact CZ-CE2 3.81Å; F149-F425 HydrophobicContact CZ-CE2 3.81Å; F149-F425 AromaticContact CZ-CZ 3.7Å; F149-F425 HydrophobicContact CZ-CZ 3.7Å; M152-F425 HydrophobicContact CE-CD2 3.37Å; M152-F425 HydrophobicContact CE-CE2 3.26Å; M152-F425 HydrophobicContact CE-CZ 4.49Å; M152-F425 HydrophobicContact SD-CD2 3.52Å; M152-F425 VanDerWaalsContact SD-CD2 3.52Å; M152-F425 HydrophobicContact SD-CE2 4.06Å; S385-F425 VanDerWaalsContact CB-CE1 3.44Å; S385-F425 WeakPolarHBondContact O-CD1 3.3Å; E387-F425 HydrophobicContact CB-CD1 4.3Å; E387-F425 HydrophobicContact CG-CB 4.09Å; E387-F425 HydrophobicContact CG-CD1 3.63Å; E387-F425 HydrophobicContact CG-CE1 4.3Å; E387-F425 HydrophobicContact CG-CG 4.01Å; A390-F425 HydrophobicContact CB-CE1 3.72Å; A390-F425 HydrophobicContact CB-CZ 3.65Å; Y423-F425 HydrophobicContact CD1-CZ 4.02Å; Y423-F425 HydrophobicContact CG-CE2 4.35Å; Y423-F425 HydrophobicContact CG-CZ 4.11Å; F425-S427 PolarHBondContact O-N 3.38Å; F425-A428 HydrophobicContact CB-CB 4.04Å; F425-A428 PolarHBondContact O-N 2.68Å; F425-F430 HydrophobicContact CB-CZ 3.96Å; F425-F430 AromaticContact CD2-CE2 3.81Å; F425-F430 HydrophobicContact CD2-CE2 3.81Å; F425-F430 AromaticContact CD2-CZ 3.63Å; F425-F430 HydrophobicContact CD2-CZ 3.63Å; F425-F430 HydrophobicContact CE2-CE2 4.42Å; F425-F430 HydrophobicContact CE2-CZ 4.41Å; F425-F430 HydrophobicContact CG-CZ 4.03Å
426	S	86.1	Confident	85.1	Confident	78 Å²	78	59.5 Å²	59.5	55%	0.545	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-27.5	178	65.8	0	0	0	0	112.4	M384 E387 R443	M384-S426 VanDerWaalsContact CE-CA 3.41Å; E387-S426 PolarHBondContact OE1-N 3.5Å; E387-S426 VanDerWaalsContact OE1-N 3.13Å; E387-S426 PolarHBondContact OE1-OG 3.46Å; S426-R443 PolarHBondContact OG-NH2 3.1Å
427	S	86.3	Confident	86.2	Confident	42 Å²	42	57.4 Å²	57.4	29%	0.294	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-4.1	-179	-58.4	0	0	0	0	113.9	E387 F425 F430	E387-S427 PolarHBondContact OE1-N 3.35Å; E387-S427 PolarHBondContact OE1-OG 2.97Å; F425-S427 PolarHBondContact O-N 3.38Å; S427-F430 WeakPolarHBondContact O-CD1 3.38Å
428	A	84.6	Confident	86.9	Confident	31 Å²	31	57.6 Å²	57.6	26%	0.256	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-78.9	146.9	173.4	0	0	0	0	0	110.4	M152 F425 F430	M152-A428 HydrophobicContact CB-CB 4.23Å; M152-A428 HydrophobicContact SD-CB 4.23Å; F425-A428 HydrophobicContact CB-CB 4.04Å; F425-A428 PolarHBondContact O-N 2.68Å; A428-F430 HydrophobicContact CB-CD2 4.48Å; A428-F430 HydrophobicContact CB-CE2 4.12Å; A428-F430 HydrophobicContact CB-CZ 4.16Å
429	P	90.4	Very high	87.6	Confident	76 Å²	76	54.3 Å²	54.3	49%	0.494	32%	0.316	S	S	.	.	S	Bend	cis	-79.9	140.7	4	32.2	-36	0	0	0	113.8	M152 Q154	M152-P429 CarbonylContact O-C 3.53Å; M152-P429 VanDerWaalsContact O-CA 3.29Å; M152-P429 WeakPolarHBondContact O-CA 3.4Å; Q154-P429 HydrophobicContact CG-CB 3.7Å; Q154-P429 HydrophobicContact CG-CG 3.72Å; Q154-P429 PolarHBondContact NE2-O 3.46Å
430	F	91.1	Very high	88.2	Confident	6 Å²	6	53.5 Å²	53.5	3%	0.026	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-84.9	155.9	-177.5	-53.3	-64.5	0	0	0	112.7	M145 M152 M153 Q154 F425 S427 A428 A434 V439	M145-F430 HydrophobicContact CB-CB 4.4Å; M145-F430 HydrophobicContact CB-CD2 4.25Å; M145-F430 HydrophobicContact CB-CG 4.27Å; M145-F430 HydrophobicContact CE-CD2 4.22Å; M145-F430 HydrophobicContact CE-CE1 3.99Å; M145-F430 HydrophobicContact CE-CE2 3.67Å; M145-F430 HydrophobicContact CE-CZ 3.54Å; M145-F430 HydrophobicContact CG-CG 4.48Å; M152-F430 HydrophobicContact CB-CD2 3.95Å; M152-F430 HydrophobicContact CB-CE2 3.98Å; M152-F430 HydrophobicContact CE-CE2 4.45Å; M152-F430 PolarHBondContact O-N 2.98Å; M153-F430 CarbonylContact C-O 3.38Å; M153-F430 WeakPolarHBondContact CA-O 3.5Å; M153-F430 HydrophobicContact CE-CB 3.63Å; M153-F430 HydrophobicContact CE-CD2 3.61Å; M153-F430 HydrophobicContact CE-CG 4.07Å; M153-F430 HydrophobicContact SD-CB 4.08Å; Q154-F430 WeakPolarHBondContact CG-O 3.31Å; Q154-F430 PolarHBondContact N-O 2.84Å; F425-F430 HydrophobicContact CB-CZ 3.96Å; F425-F430 AromaticContact CD2-CE2 3.81Å; F425-F430 HydrophobicContact CD2-CE2 3.81Å; F425-F430 AromaticContact CD2-CZ 3.63Å; F425-F430 HydrophobicContact CD2-CZ 3.63Å; F425-F430 HydrophobicContact CE2-CE2 4.42Å; F425-F430 HydrophobicContact CE2-CZ 4.41Å; F425-F430 HydrophobicContact CG-CZ 4.03Å; S427-F430 WeakPolarHBondContact O-CD1 3.38Å; A428-F430 HydrophobicContact CB-CD2 4.48Å; A428-F430 HydrophobicContact CB-CE2 4.12Å; A428-F430 HydrophobicContact CB-CZ 4.16Å; F430-A434 HydrophobicContact CB-CB 4.4Å; F430-V439 HydrophobicContact CD1-CG1 4.43Å; F430-V439 HydrophobicContact CD1-CG2 3.62Å; F430-V439 HydrophobicContact CE1-CB 4.46Å; F430-V439 HydrophobicContact CE1-CG1 3.79Å; F430-V439 HydrophobicContact CE1-CG2 3.73Å
431	R	90.4	Very high	88.6	Confident	158 Å²	158	53.3 Å²	53.3	60%	0.596	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-72.6	149.1	171.6	-59.8	174.2	62.6	135.7	4.5	110.6	D433 A434	R431-D433 IonicContact NE-OD1 3.22Å; R431-D433 PolarHBondContact O-N 2.83Å; R431-D433 VanDerWaalsContact O-N 3.14Å; R431-A434 HydrophobicContact CB-CB 4.14Å; R431-A434 WeakPolarHBondContact O-CB 3.39Å; R431-A434 PolarHBondContact O-N 3.23Å
432	P	88	Confident	88.7	Confident	38 Å²	38	57.8 Å²	57.8	25%	0.247	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-30.3	-177.8	-26	34.4	0	0	0	114.8
433	D	89	Confident	88.8	Confident	111 Å²	111	56.8 Å²	56.8	59%	0.594	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	3.3	179.7	62.2	-28.7	0	0	0	113.7	R431 T435	R431-D433 IonicContact NE-OD1 3.22Å; R431-D433 PolarHBondContact O-N 2.83Å; R431-D433 VanDerWaalsContact O-N 3.14Å; D433-T435 PolarHBondContact O-N 3.1Å
434	A	92.9	Very high	88.5	Confident	9 Å²	9	60.1 Å²	60.1	7%	0.074	34%	0.338	C	S	.	.			trans	-64.8	128.9	-176.1	0	0	0	0	0	112.1	M145 F430 R431	M145-A434 HydrophobicContact CG-CB 4.46Å; M145-A434 PolarHBondContact N-O 3.45Å; F430-A434 HydrophobicContact CB-CB 4.4Å; R431-A434 HydrophobicContact CB-CB 4.14Å; R431-A434 WeakPolarHBondContact O-CB 3.39Å; R431-A434 PolarHBondContact O-N 3.23Å
435	T	95.1	Very high	88	Confident	23 Å²	23	65.5 Å²	65.5	14%	0.141	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-91	163.2	166.7	67	0	0	0	0	110.7	Q141 I143 D433 A437 D438 V439	Q141-T435 WeakPolarHBondContact O-CG2 3.48Å; I143-T435 CarbonylContact O-C 3.46Å; I143-T435 WeakPolarHBondContact O-CA 3.39Å; I143-T435 WeakPolarHBondContact O-CB 3.49Å; D433-T435 PolarHBondContact O-N 3.1Å; T435-A437 PolarHBondContact O-N 3.27Å; T435-D438 WeakPolarHBondContact CB-OD2 3.4Å; T435-D438 PolarHBondContact N-OD2 3.16Å; T435-D438 WeakPolarHBondContact O-CB 3.36Å; T435-D438 PolarHBondContact O-N 2.7Å; T435-D438 VanDerWaalsContact OG1-CG 3.23Å; T435-D438 PolarHBondContact OG1-N 2.91Å; T435-D438 PolarHBondContact OG1-OD2 3.22Å; T435-V439 PolarHBondContact O-N 3.35Å
436	L	94.1	Very high	87.9	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-57.4	-34.8	173	178.2	60.9	0	0	0	111.2	F140 I143 M145 T391 D438 V439 I440	F140-L436 HydrophobicContact CB-CB 4.36Å; F140-L436 HydrophobicContact CB-CD2 4.43Å; F140-L436 HydrophobicContact CB-CG 4.36Å; F140-L436 HydrophobicContact CD1-CD2 3.45Å; F140-L436 VanDerWaalsContact CD1-CD2 3.45Å; F140-L436 HydrophobicContact CD1-CG 4.2Å; F140-L436 HydrophobicContact CE1-CD2 3.73Å; F140-L436 HydrophobicContact CG-CD2 3.93Å; F140-L436 HydrophobicContact CG-CG 4.16Å; F140-L436 HydrophobicContact CZ-CD2 4.39Å; F140-L436 PolarHBondContact O-N 2.8Å; I143-L436 HydrophobicContact CB-CB 4.21Å; I143-L436 HydrophobicContact CD1-CD2 4.22Å; I143-L436 HydrophobicContact CG2-CB 4.31Å; I143-L436 PolarHBondContact O-N 3.32Å; M145-L436 HydrophobicContact SD-CB 4.21Å; M145-L436 HydrophobicContact SD-CD1 4.22Å; T391-L436 HydrophobicContact CG2-CD1 4.3Å; T391-L436 HydrophobicContact CG2-CD2 3.9Å; T391-L436 HydrophobicContact CG2-CG 4.49Å; L436-D438 VanDerWaalsContact C-N 3.31Å; L436-D438 PolarHBondContact O-N 3.36Å; L436-V439 PolarHBondContact O-N 2.86Å; L436-I440 HydrophobicContact CD1-CG2 4.25Å; L436-I440 WeakPolarHBondContact O-CG1 3.34Å; L436-I440 PolarHBondContact O-N 3Å
437	A	92.6	Very high	88.1	Confident	26 Å²	26	62.3 Å²	62.3	22%	0.215	33%	0.334	C	S	.	.	H	α-helix	trans	-61	-37.5	175.2	0	0	0	0	0	112.8	F140 Q141 T435 A441	F140-A437 HydrophobicContact CB-CB 3.95Å; F140-A437 PolarHBondContact O-N 3.06Å; Q141-A437 HydrophobicContact CG-CB 4.02Å; T435-A437 PolarHBondContact O-N 3.27Å; A437-A441 PolarHBondContact O-N 3.18Å
438	D	92.4	Very high	88.3	Confident	97 Å²	97	62.8 Å²	62.8	52%	0.519	33%	0.331	S	S	.	.	H	α-helix	trans	-70.9	-37.5	178.7	-57.9	-49.9	0	0	0	111.6	T435 L436 I440 A441	T435-D438 WeakPolarHBondContact CB-OD2 3.4Å; T435-D438 PolarHBondContact N-OD2 3.16Å; T435-D438 WeakPolarHBondContact O-CB 3.36Å; T435-D438 PolarHBondContact O-N 2.7Å; T435-D438 VanDerWaalsContact OG1-CG 3.23Å; T435-D438 PolarHBondContact OG1-N 2.91Å; T435-D438 PolarHBondContact OG1-OD2 3.22Å; L436-D438 VanDerWaalsContact C-N 3.31Å; L436-D438 PolarHBondContact O-N 3.36Å; D438-I440 VanDerWaalsContact C-N 3.31Å; D438-I440 PolarHBondContact O-N 3.34Å; D438-A441 PolarHBondContact O-N 3.35Å
439	V	90.8	Very high	88.7	Confident	23 Å²	23	61.3 Å²	61.3	14%	0.139	32%	0.319	C	S	.	.	H	α-helix	trans	-63.6	-36.9	178.8	174	0	0	0	0	111.9	M145 E387 F430 T435 L436	M145-V439 HydrophobicContact CE-CG2 4.38Å; M145-V439 HydrophobicContact CG-CG2 3.69Å; M145-V439 HydrophobicContact SD-CG2 4.23Å; E387-V439 HydrophobicContact CB-CG1 4.24Å; E387-V439 HydrophobicContact CG-CG1 4.02Å; F430-V439 HydrophobicContact CD1-CG1 4.43Å; F430-V439 HydrophobicContact CD1-CG2 3.62Å; F430-V439 HydrophobicContact CE1-CB 4.46Å; F430-V439 HydrophobicContact CE1-CG1 3.79Å; F430-V439 HydrophobicContact CE1-CG2 3.73Å; T435-V439 PolarHBondContact O-N 3.35Å; L436-V439 PolarHBondContact O-N 2.86Å
440	I	90.4	Very high	88.8	Confident	25 Å²	25	59.5 Å²	59.5	13%	0.128	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	8.8	-176.2	73.2	172.3	0	0	0	113.8	F140 V388 L436 D438 E442 R443	F140-I440 HydrophobicContact CD2-CD1 3.32Å; F140-I440 HydrophobicContact CD2-CG1 4.42Å; F140-I440 HydrophobicContact CE2-CD1 3.26Å; F140-I440 HydrophobicContact CG-CD1 4.44Å; F140-I440 HydrophobicContact CZ-CD1 4.37Å; V388-I440 HydrophobicContact CG2-CD1 4.16Å; V388-I440 HydrophobicContact CG2-CG2 3.76Å; L436-I440 HydrophobicContact CD1-CG2 4.25Å; L436-I440 WeakPolarHBondContact O-CG1 3.34Å; L436-I440 PolarHBondContact O-N 3Å; D438-I440 VanDerWaalsContact C-N 3.31Å; D438-I440 PolarHBondContact O-N 3.34Å; I440-E442 PolarHBondContact O-N 3.18Å; I440-E442 VanDerWaalsContact O-N 3.12Å; I440-R443 HydrophobicContact CB-CB 4.44Å; I440-R443 HydrophobicContact CB-CG 4.49Å; I440-R443 WeakPolarHBondContact O-CB 3.29Å; I440-R443 PolarHBondContact O-N 2.88Å
441	A	86.7	Confident	88.8	Confident	77 Å²	77	59.8 Å²	59.8	64%	0.636	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-32	-172.4	0	0	0	0	0	113.8	A437 D438	A437-A441 PolarHBondContact O-N 3.18Å; D438-A441 PolarHBondContact O-N 3.35Å
442	E	81.6	Confident	88.8	Confident	199 Å²	199	57.4 Å²	57.4	93%	0.93	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-3.5	179.7	-58.4	-166.3	159.4	0	0	113.7	I440	I440-E442 PolarHBondContact O-N 3.18Å; I440-E442 VanDerWaalsContact O-N 3.12Å
443	R	82.6	Confident	88.9	Confident	86 Å²	86	57.7 Å²	57.7	33%	0.325	30%	0.304	S	S	.	.	S	Bend	trans	-85	152.6	-178.5	-66.6	-170.5	177.4	-169.8	-1	112	E386 E387 S426 I440	E386-R443 IonicContact OE1-NH1 2.61Å; E387-R443 IonicContact OE1-NH2 3.26Å; E387-R443 PolarHBondContact OE1-NH2 2.87Å; E387-R443 IonicContact OE2-CZ 2.69Å; E387-R443 IonicContact OE2-NH1 2.89Å; E387-R443 PolarHBondContact OE2-NH1 3.17Å; E387-R443 IonicContact OE2-NH2 2.85Å; E387-R443 PolarHBondContact OE2-NH2 3.47Å; S426-R443 PolarHBondContact OG-NH2 3.1Å; I440-R443 HydrophobicContact CB-CB 4.44Å; I440-R443 HydrophobicContact CB-CG 4.49Å; I440-R443 WeakPolarHBondContact O-CB 3.29Å; I440-R443 PolarHBondContact O-N 2.88Å
444	P	77.3	Confident	88.9	Confident	99 Å²	99	56.1 Å²	56.1	64%	0.643	29%	0.293	S	S	*	.			trans	-59.1	141.7	172.9	24.5	-33.4	0	0	0	110.8	G446	P444-G446 PolarHBondContact O-N 3.02Å; P444-G446 VanDerWaalsContact O-N 3.09Å
445	R	76.8	Confident	88.5	Confident	165 Å²	165	60.2 Å²	60.2	62%	0.623	32%	0.319	S	S	*	.			trans	-57.8	115.2	176.2	-68.2	-174.6	176.7	-155.4	-1.1	110.5	Q120	Q120-R445 PolarHBondContact NE2-O 3.31Å
446	G	86.1	Confident	88	Confident	10 Å²	10	60.7 Å²	60.7	10%	0.103	32%	0.322	C	S	.	.			trans	-117.7	157.2	173	0	0	0	0	0	112	Q136 P444	Q136-G446 PolarHBondContact NE2-O 3.15Å; P444-G446 PolarHBondContact O-N 3.02Å; P444-G446 VanDerWaalsContact O-N 3.09Å
447	L	90.6	Very high	87.1	Confident	7 Å²	7	64 Å²	64	4%	0.037	34%	0.342	C	S	.	.			trans	-104.3	114.3	172.8	-177.6	66.2	0	0	0	109.6	Y112 V115 S116 V129 A132 L133 V449 V451	Y112-L447 HydrophobicContact CD1-CB 4.48Å; Y112-L447 HydrophobicContact CD1-CD2 3.57Å; Y112-L447 HydrophobicContact CD1-CG 3.83Å; Y112-L447 HydrophobicContact CE1-CD2 3.9Å; Y112-L447 HydrophobicContact CE1-CG 4.31Å; V115-L447 HydrophobicContact CG1-CD2 4.16Å; S116-L447 PolarHBondContact OG-N 3.19Å; V129-L447 HydrophobicContact CG1-CD2 4.29Å; V129-L447 HydrophobicContact CG2-CD2 4.47Å; A132-L447 HydrophobicContact CB-CD1 3.81Å; L133-L447 HydrophobicContact CD2-CD1 4.03Å; L133-L447 HydrophobicContact CG-CD1 4.29Å; L447-V449 HydrophobicContact CD1-CG2 4.03Å; L447-V451 HydrophobicContact CD2-CG2 3.7Å
448	F	92.1	Very high	85.9	Confident	52 Å²	52	74.9 Å²	74.9	23%	0.228	38%	0.378	C	S	.	.			trans	-117.5	-4	-174.8	-59.6	-87.1	0	0	0	113.2	P103 V104 F140 V388 L392	P103-F448 WeakPolarHBondContact CA-O 3.38Å; V104-F448 PolarHBondContact N-O 3.45Å; F140-F448 HydrophobicContact CE2-CD2 4.23Å; F140-F448 HydrophobicContact CZ-CB 4.22Å; F140-F448 AromaticContact CZ-CD2 3.95Å; F140-F448 HydrophobicContact CZ-CD2 3.95Å; F140-F448 HydrophobicContact CZ-CG 4.36Å; V388-F448 HydrophobicContact CB-CD1 4.11Å; V388-F448 HydrophobicContact CB-CE1 4.08Å; V388-F448 HydrophobicContact CB-CG 4.41Å; V388-F448 HydrophobicContact CB-CZ 4.36Å; V388-F448 HydrophobicContact CG1-CB 3.84Å; V388-F448 HydrophobicContact CG1-CD1 3.63Å; V388-F448 HydrophobicContact CG1-CD2 3.95Å; V388-F448 HydrophobicContact CG1-CE1 4.09Å; V388-F448 HydrophobicContact CG1-CE2 4.38Å; V388-F448 HydrophobicContact CG1-CG 3.54Å; V388-F448 HydrophobicContact CG1-CZ 4.44Å; V388-F448 HydrophobicContact CG2-CE1 4.37Å; V388-F448 HydrophobicContact CG2-CE2 4.27Å; V388-F448 HydrophobicContact CG2-CZ 4.15Å; L392-F448 HydrophobicContact CD1-CB 4.03Å
449	V	93	Very high	84.4	Confident	0 Å²	0	80.3 Å²	80.3	0%	0	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-112.6	150.6	174.3	-60.9	0	0	0	0	110.1	R101 W102 Y112 A132 Q136 L139 L447	R101-V449 VanDerWaalsContact CD-CG2 3.5Å; R101-V449 HydrophobicContact CG-CB 4.06Å; R101-V449 HydrophobicContact CG-CG2 4.25Å; W102-V449 CarbonylContact O-C 3.33Å; W102-V449 WeakPolarHBondContact O-CA 3.44Å; Y112-V449 WeakPolarHBondContact CE1-O 3.28Å; A132-V449 HydrophobicContact CB-CG2 4.17Å; A132-V449 WeakPolarHBondContact O-CG2 3.38Å; Q136-V449 HydrophobicContact CB-CG1 4.26Å; Q136-V449 HydrophobicContact CB-CG2 3.78Å; Q136-V449 HydrophobicContact CG-CG1 4.26Å; Q136-V449 HydrophobicContact CG-CG2 4.38Å; L139-V449 HydrophobicContact CD2-CG1 3.96Å; L447-V449 HydrophobicContact CD1-CG2 4.03Å
450	D	92	Very high	83.4	Confident	39 Å²	39	80.8 Å²	80.8	21%	0.209	39%	0.391	C	S	.	.			trans	-58.7	141.7	176.8	-162.4	-25.9	0	0	0	110.4	R101 W102 Y112 E452	R101-D450 VanDerWaalsContact CD-O 3.25Å; R101-D450 WeakPolarHBondContact CD-O 3.23Å; R101-D450 VanDerWaalsContact CG-O 3.27Å; R101-D450 WeakPolarHBondContact CG-O 3.49Å; R101-D450 PolarHBondContact NH1-O 3.23Å; W102-D450 PolarHBondContact O-N 3.34Å; Y112-D450 WeakPolarHBondContact OH-CA 3.4Å; Y112-D450 PolarHBondContact OH-OD1 3.01Å; D450-E452 VanDerWaalsContact C-N 3.27Å; D450-E452 PolarHBondContact OD1-N 3.03Å
451	V	90.6	Very high	82.3	Confident	11 Å²	11	84 Å²	84	7%	0.067	41%	0.409	C	S	.	.	S	Bend	trans	-71	-28.1	173.5	176.6	0	0	0	0	111	R101 F111 Y112 D128 V129 L447	R101-V451 PolarHBondContact NH1-O 3.35Å; F111-V451 HydrophobicContact CE1-CG2 4.04Å; Y112-V451 HydrophobicContact CE1-CG2 3.9Å; Y112-V451 PolarHBondContact OH-N 2.97Å; D128-V451 HydrophobicContact CB-CG1 3.31Å; D128-V451 WeakPolarHBondContact OD2-CG1 3.47Å; V129-V451 HydrophobicContact CG2-CG2 4.28Å; L447-V451 HydrophobicContact CD2-CG2 3.7Å
452	E	89.6	Confident	81.3	Confident	109 Å²	109	85.2 Å²	85.2	51%	0.509	40%	0.4	S	S	.	.	S	Bend	trans	-80.2	151.5	177.1	-56.3	-159.5	150.7	0	0	112.2	R101 D450 S496	R101-E452 PolarHBondContact NH1-O 3.35Å; D450-E452 VanDerWaalsContact C-N 3.27Å; D450-E452 PolarHBondContact OD1-N 3.03Å; E452-S496 WeakPolarHBondContact OE1-CB 3.29Å; E452-S496 PolarHBondContact OE1-OG 3.11Å
453	T	90.9	Very high	80.5	Confident	44 Å²	44	80.8 Å²	80.8	27%	0.27	38%	0.381	S	S	.	.			trans	-115	140.5	176.1	58	0	0	0	0	110.3	W99 N100	W99-T453 HydrophobicContact CG-CG2 4.38Å; N100-T453 WeakPolarHBondContact O-CA 3.17Å
454	E	88.6	Confident	79.7	Confident	77 Å²	77	79.3 Å²	79.3	36%	0.36	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-103.5	136.8	174	-170.9	-174.1	173.5	0	0	110.2	N100 W102 K401	N100-E454 HydrophobicContact CB-CB 4.26Å; N100-E454 PolarHBondContact N-O 2.83Å; N100-E454 PolarHBondContact O-N 3.24Å; W102-E454 PolarHBondContact NE1-OE2 3.15Å; K401-E454 IonicContact NZ-OE2 3.81Å
455	P	85.8	Confident	79.9	Confident	96 Å²	96	75.3 Å²	75.3	62%	0.623	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-66	139.3	173.2	27.7	-34.5	0	0	0	111.2	T457	P455-T457 PolarHBondContact O-N 3.42Å
456	V	83.4	Confident	80.3	Confident	32 Å²	32	69.6 Å²	69.6	19%	0.194	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-70.6	118.8	178.2	-172.7	0	0	0	0	110.1	E98 H460 K462	E98-V456 HydrophobicContact CB-CB 4.35Å; E98-V456 HydrophobicContact CB-CG2 3.72Å; V456-H460 HydrophobicContact CG1-CB 4.04Å; V456-K462 HydrophobicContact CG1-CD 4.33Å; V456-K462 HydrophobicContact CG1-CG 4.21Å
457	T	75.9	Confident	80.5	Confident	69 Å²	69	69.1 Å²	69.1	42%	0.423	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-87.5	158.7	176.2	75	0	0	0	0	111.3	P455 R459 H460	P455-T457 PolarHBondContact O-N 3.42Å; T457-R459 PolarHBondContact O-N 2.84Å; T457-R459 VanDerWaalsContact O-N 3.1Å; T457-R459 PolarHBondContact OG1-N 3.46Å; T457-H460 WeakPolarHBondContact O-CB 3.38Å; T457-H460 PolarHBondContact O-N 2.86Å; T457-H460 VanDerWaalsContact O-N 3.11Å
458	R	67	Low	80.5	Confident	256 Å²	256	70.4 Å²	70.4	97%	0.966	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-14.4	175	-71.5	-173.9	179.5	179.9	-0.1	114.2	H460	R458-H460 VanDerWaalsContact C-N 3.33Å
459	R	61.8	Low	80.5	Confident	211 Å²	211	68.7 Å²	68.7	80%	0.796	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-8.6	179.5	-60.7	-176.4	179.1	-150.4	-3	112.3	T457	T457-R459 PolarHBondContact O-N 2.84Å; T457-R459 VanDerWaalsContact O-N 3.1Å; T457-R459 PolarHBondContact OG1-N 3.46Å
460	H	67.9	Low	80.4	Confident	32 Å²	32	72.3 Å²	72.3	15%	0.148	36%	0.363	C	S	.	.	S	Bend	trans	-81.6	129.6	-178.9	-165.1	55.8	0	0	0	111.1	W102 E399 V456 T457 R458 K462 S465 S468	W102-H460 AromaticContact CH2-CE1 3.64Å; E399-H460 IonicContact OE2-CE1 3.17Å; E399-H460 PolarHBondContact OE2-CE1 2.84Å; E399-H460 IonicContact OE2-NE2 3.76Å; E399-H460 PolarHBondContact OE2-NE2 2.64Å; V456-H460 HydrophobicContact CG1-CB 4.04Å; T457-H460 WeakPolarHBondContact O-CB 3.38Å; T457-H460 PolarHBondContact O-N 2.86Å; T457-H460 VanDerWaalsContact O-N 3.11Å; R458-H460 VanDerWaalsContact C-N 3.33Å; H460-K462 PolarHBondContact O-N 2.94Å; H460-S465 WeakPolarHBondContact NE2-CB 3.44Å; H460-S465 PolarHBondContact NE2-OG 2.84Å; H460-S468 PolarHBondContact CD2-OG 2.78Å; H460-S468 VanDerWaalsContact CD2-OG 3.22Å; H460-S468 PolarHBondContact NE2-OG 3.41Å; H460-S468 VanDerWaalsContact NE2-OG 3.11Å
461	N	67.6	Low	80.4	Confident	94 Å²	94	71.3 Å²	71.3	50%	0.503	36%	0.359	S	S	.	.			trans	-78.1	89.4	176.7	-173.3	0.1	0	0	0	110.4	I463 S464 S465	N461-I463 PolarHBondContact O-N 3.36Å; N461-I463 PolarHBondContact OD1-N 2.91Å; N461-S464 VanDerWaalsContact CG-OG 3.25Å; N461-S464 PolarHBondContact ND2-OG 3.2Å; N461-S464 VanDerWaalsContact ND2-OG 3.11Å; N461-S464 PolarHBondContact O-N 3.17Å; N461-S464 PolarHBondContact O-OG 3.06Å; N461-S465 WeakPolarHBondContact O-CB 3.48Å; N461-S465 PolarHBondContact O-N 3.05Å
462	K	66.4	Low	80.5	Confident	102 Å²	102	72.8 Å²	72.8	44%	0.443	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-26.7	-175.8	-55.7	-172.8	-174.4	-168	0	114.2	E98 V456 H460 S464	E98-K462 IonicContact OE1-NZ 3.73Å; E98-K462 WeakPolarHBondContact OE2-CE 3.34Å; E98-K462 IonicContact OE2-NZ 2.7Å; E98-K462 PolarHBondContact OE2-NZ 3.48Å; V456-K462 HydrophobicContact CG1-CD 4.33Å; V456-K462 HydrophobicContact CG1-CG 4.21Å; H460-K462 PolarHBondContact O-N 2.94Å; K462-S464 VanDerWaalsContact C-N 3.34Å
463	I	64.2	Low	80.6	Confident	105 Å²	105	70.4 Å²	70.4	54%	0.538	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-26.8	-171.1	-62	171.7	0	0	0	110.8	N461	N461-I463 PolarHBondContact O-N 3.36Å; N461-I463 PolarHBondContact OD1-N 2.91Å
464	S	65.7	Low	80.7	Confident	55 Å²	55	69.7 Å²	69.7	39%	0.385	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-11.1	178.7	60.7	0	0	0	0	114.2	E399 N461 K462 S466	E399-S464 PolarHBondContact OE1-OG 3.37Å; N461-S464 VanDerWaalsContact CG-OG 3.25Å; N461-S464 PolarHBondContact ND2-OG 3.2Å; N461-S464 VanDerWaalsContact ND2-OG 3.11Å; N461-S464 PolarHBondContact O-N 3.17Å; N461-S464 PolarHBondContact O-OG 3.06Å; K462-S464 VanDerWaalsContact C-N 3.34Å; S464-S466 PolarHBondContact O-N 2.97Å
465	S	81.3	Confident	80.9	Confident	16 Å²	16	66 Å²	66	11%	0.112	35%	0.345	C	S	.	.			trans	-79.5	117.2	-169.2	-161.5	0	0	0	0	114	E399 H460 N461 F467 S468	E399-S465 VanDerWaalsContact CD-CA 3.48Å; E399-S465 VanDerWaalsContact CD-OG 3.25Å; E399-S465 WeakPolarHBondContact OE1-CA 3.48Å; E399-S465 PolarHBondContact OE1-N 2.78Å; E399-S465 WeakPolarHBondContact OE2-CB 3.41Å; E399-S465 PolarHBondContact OE2-OG 2.88Å; H460-S465 WeakPolarHBondContact NE2-CB 3.44Å; H460-S465 PolarHBondContact NE2-OG 2.84Å; N461-S465 WeakPolarHBondContact O-CB 3.48Å; N461-S465 PolarHBondContact O-N 3.05Å; S465-F467 VanDerWaalsContact C-N 3.25Å; S465-F467 PolarHBondContact O-N 3.08Å; S465-F467 PolarHBondContact OG-N 2.9Å; S465-S468 WeakPolarHBondContact CB-OG 3.47Å; S465-S468 PolarHBondContact OG-OG 2.75Å
466	S	85.4	Confident	81.3	Confident	45 Å²	45	62.6 Å²	62.6	32%	0.315	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-16.8	170.7	-57.3	0	0	0	0	112.6	L139 S464	L139-S466 WeakPolarHBondContact CD1-O 3.33Å; S464-S466 PolarHBondContact O-N 2.97Å
467	F	91.1	Very high	81.8	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	1.6	-173.9	-55.4	-73.7	0	0	0	114	N100 R101 W102 P103 L139 L392 L396 E399 S465 Y469	N100-F467 WeakPolarHBondContact CA-O 3.48Å; R101-F467 PolarHBondContact N-O 3.34Å; R101-F467 WeakPolarHBondContact O-CB 3.37Å; W102-F467 HydrophobicContact CE3-CB 3.97Å; W102-F467 AromaticContact CE3-CD2 3.94Å; W102-F467 HydrophobicContact CE3-CD2 3.94Å; W102-F467 AromaticContact CE3-CG 3.9Å; W102-F467 HydrophobicContact CE3-CG 3.9Å; W102-F467 HydrophobicContact CZ3-CB 3.88Å; W102-F467 AromaticContact CZ3-CD2 3.61Å; W102-F467 HydrophobicContact CZ3-CD2 3.61Å; W102-F467 HydrophobicContact CZ3-CE2 4.4Å; W102-F467 AromaticContact CZ3-CG 3.92Å; W102-F467 HydrophobicContact CZ3-CG 3.92Å; P103-F467 HydrophobicContact CG-CD1 4.32Å; P103-F467 HydrophobicContact CG-CE1 3.53Å; P103-F467 HydrophobicContact CG-CZ 3.92Å; L139-F467 HydrophobicContact CD1-CD1 4.08Å; L139-F467 HydrophobicContact CD1-CE1 4.16Å; L139-F467 HydrophobicContact CD2-CD1 4.05Å; L139-F467 HydrophobicContact CD2-CE1 3.96Å; L392-F467 HydrophobicContact CD2-CE1 4.21Å; L396-F467 HydrophobicContact CD2-CD2 4.41Å; L396-F467 HydrophobicContact CD2-CE2 3.78Å; L396-F467 HydrophobicContact CD2-CZ 3.93Å; L396-F467 HydrophobicContact CG-CE2 4.1Å; L396-F467 HydrophobicContact CG-CZ 3.89Å; E399-F467 HydrophobicContact CG-CD2 3.91Å; E399-F467 HydrophobicContact CG-CE2 4.02Å; S465-F467 VanDerWaalsContact C-N 3.25Å; S465-F467 PolarHBondContact O-N 3.08Å; S465-F467 PolarHBondContact OG-N 2.9Å; F467-Y469 VanDerWaalsContact O-CD2 3.25Å; F467-Y469 WeakPolarHBondContact O-CD2 3.29Å; F467-Y469 WeakPolarHBondContact O-CE2 3.26Å
468	S	91.1	Very high	82.6	Confident	34 Å²	34	67.7 Å²	67.7	24%	0.238	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	128.4	176.6	-68.4	0	0	0	0	110.7	N100 H460 S465	N100-S468 WeakPolarHBondContact OD1-CA 3.36Å; N100-S468 PolarHBondContact OD1-OG 2.97Å; H460-S468 PolarHBondContact CD2-OG 2.78Å; H460-S468 VanDerWaalsContact CD2-OG 3.22Å; H460-S468 PolarHBondContact NE2-OG 3.41Å; H460-S468 VanDerWaalsContact NE2-OG 3.11Å; S465-S468 WeakPolarHBondContact CB-OG 3.47Å; S465-S468 PolarHBondContact OG-OG 2.75Å
469	Y	91.4	Very high	83.9	Confident	16 Å²	16	56.2 Å²	56.2	6%	0.063	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	151	-178.9	-54.8	-89.7	0	0	0	110.5	E98 W99 R101 D135 L138 L139 F467	E98-Y469 CarbonylContact C-O 3.52Å; E98-Y469 WeakPolarHBondContact CA-O 3.43Å; W99-Y469 PolarHBondContact N-O 3.19Å; W99-Y469 AromaticContact NE1-CD2 3.96Å; W99-Y469 AromaticContact NE1-CG 3.96Å; W99-Y469 PolarHBondContact O-N 2.75Å; R101-Y469 HydrophobicContact CB-CD2 4.15Å; R101-Y469 HydrophobicContact CB-CE2 3.56Å; D135-Y469 HydrophobicContact CB-CD1 4.08Å; D135-Y469 HydrophobicContact CB-CD2 4.39Å; D135-Y469 HydrophobicContact CB-CE1 3.69Å; D135-Y469 HydrophobicContact CB-CE2 4.06Å; D135-Y469 HydrophobicContact CB-CG 4.41Å; D135-Y469 WeakPolarHBondContact O-CE1 3.23Å; D135-Y469 PolarHBondContact O-OH 3.27Å; L138-Y469 HydrophobicContact CB-CE1 4.2Å; L138-Y469 HydrophobicContact CD1-CD1 4.34Å; L139-Y469 WeakPolarHBondContact CB-OH 3.06Å; F467-Y469 VanDerWaalsContact O-CD2 3.25Å; F467-Y469 WeakPolarHBondContact O-CD2 3.29Å; F467-Y469 WeakPolarHBondContact O-CE2 3.26Å
470	T	91.5	Very high	85.5	Confident	76 Å²	76	49 Å²	49	47%	0.466	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	141.4	176.5	-52.2	0	0	0	0	109.4	Q97 E98 G472	Q97-T470 WeakPolarHBondContact O-CA 3.16Å; E98-T470 HydrophobicContact CG-CG2 4.22Å; T470-G472 PolarHBondContact O-N 3.29Å
471	C	92	Very high	86.8	Confident	18 Å²	18	54.9 Å²	54.9	12%	0.122	29%	0.291	C	S	.	.			trans	-55.8	-51.5	177	-177.6	0	0	0	0	112.4	C95 Q97 W99 H473 H483 H488	C95-C471 HydrophobicContact CB-CB 3.95Å; Q97-C471 HydrophobicContact CB-CB 4.45Å; Q97-C471 PolarHBondContact O-N 3.12Å; W99-C471 HydrophobicContact CH2-CB 4.2Å; W99-C471 HydrophobicContact CZ3-CB 4.02Å; C471-H473 PolarHBondContact O-N 3.4Å; C471-H473 VanDerWaalsContact SG-CD2 3.55Å; C471-H483 PolarHBondContact SG-NE2 3.08Å; C471-H483 VanDerWaalsContact SG-NE2 3.38Å; C471-H488 PolarHBondContact SG-NE2 2.96Å; C471-H488 VanDerWaalsContact SG-NE2 3.35Å
472	G	91.4	Very high	88.1	Confident	41 Å²	41	51.5 Å²	51.5	42%	0.423	28%	0.275	S	S	.	.			trans	66.9	-2.4	172.8	0	0	0	0	0	115.7	C94 C95 T470	C94-G472 PolarHBondContact SG-O 3.21Å; C94-G472 VanDerWaalsContact SG-O 3.36Å; C95-G472 PolarHBondContact O-N 2.89Å; T470-G472 PolarHBondContact O-N 3.29Å
473	H	91.4	Very high	89.5	Confident	59 Å²	59	47.3 Å²	47.3	27%	0.273	26%	0.257	S	S	.	.			trans	-73.7	140.3	178.1	-68.7	-51.9	0	0	0	111.6	C95 C471 F475 S533	C95-H473 PolarHBondContact N-O 3.33Å; C471-H473 PolarHBondContact O-N 3.4Å; C471-H473 VanDerWaalsContact SG-CD2 3.55Å; H473-F475 HydrophobicContact CB-CD2 4.36Å; H473-F475 HydrophobicContact CB-CE2 3.35Å; H473-F475 HydrophobicContact CB-CZ 3.5Å; H473-S533 PolarHBondContact NE2-O 3.25Å
474	S	93.1	Very high	91	Very high	30 Å²	30	45.6 Å²	45.6	21%	0.21	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	136.4	177	-37.2	0	0	0	0	110.7	V93 M608 R633	V93-S474 WeakPolarHBondContact O-CA 2.84Å; S474-M608 VanDerWaalsContact O-CE 3.3Å; S474-M608 WeakPolarHBondContact O-CE 3.41Å; S474-R633 PolarHBondContact OG-NH2 2.83Å
475	F	94.2	Very high	92.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	156.5	179.3	-60.3	-81.3	0	0	0	110.5	V92 V93 C95 H473 E479 H483 L637	V92-F475 CarbonylContact C-O 3.56Å; V92-F475 WeakPolarHBondContact CA-O 3.32Å; V92-F475 WeakPolarHBondContact CG1-O 3.31Å; V93-F475 PolarHBondContact N-O 3.1Å; V93-F475 PolarHBondContact O-N 3.09Å; C95-F475 HydrophobicContact CB-CE2 4.29Å; H473-F475 HydrophobicContact CB-CD2 4.36Å; H473-F475 HydrophobicContact CB-CE2 3.35Å; H473-F475 HydrophobicContact CB-CZ 3.5Å; F475-E479 HydrophobicContact CB-CB 4.09Å; F475-H483 HydrophobicContact CD1-CB 4.3Å; F475-H483 HydrophobicContact CD2-CB 4.26Å; F475-H483 AromaticContact CD2-CD2 3.73Å; F475-H483 AromaticContact CD2-CG 3.89Å; F475-H483 HydrophobicContact CE1-CB 4.18Å; F475-H483 AromaticContact CE1-CG 3.97Å; F475-H483 AromaticContact CE1-ND1 3.92Å; F475-H483 HydrophobicContact CE2-CB 4.13Å; F475-H483 AromaticContact CE2-CD2 3.21Å; F475-H483 WeakPolarHBondContact CE2-CD2 3.48Å; F475-H483 AromaticContact CE2-CE1 3.54Å; F475-H483 AromaticContact CE2-CG 3.35Å; F475-H483 AromaticContact CE2-ND1 3.56Å; F475-H483 AromaticContact CE2-NE2 3.33Å; F475-H483 VanDerWaalsContact CE2-NE2 3.33Å; F475-H483 WeakPolarHBondContact CE2-NE2 3.42Å; F475-H483 HydrophobicContact CG-CB 4.35Å; F475-H483 HydrophobicContact CZ-CB 4.1Å; F475-H483 AromaticContact CZ-CD2 3.76Å; F475-H483 AromaticContact CZ-CE1 3.46Å; F475-H483 VanDerWaalsContact CZ-CE1 3.46Å; F475-H483 WeakPolarHBondContact CZ-CE1 3.27Å; F475-H483 AromaticContact CZ-CG 3.4Å; F475-H483 VanDerWaalsContact CZ-CG 3.4Å; F475-H483 AromaticContact CZ-ND1 3.22Å; F475-H483 WeakPolarHBondContact CZ-ND1 3.25Å; F475-H483 AromaticContact CZ-NE2 3.77Å; F475-L637 HydrophobicContact CD1-CB 4.1Å; F475-L637 HydrophobicContact CE1-CB 4.02Å
476	R	94.1	Very high	93	Very high	23 Å²	23	47.5 Å²	47.5	9%	0.087	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	150.3	164.3	-161	172.3	64.6	-174.6	2.2	109.2	C88 D478 E479 F480 D605	C88-R476 WeakPolarHBondContact O-CG 3.43Å; R476-D478 VanDerWaalsContact C-N 3.27Å; R476-D478 VanDerWaalsContact CB-OD1 3.29Å; R476-D478 WeakPolarHBondContact CB-OD1 3.37Å; R476-D478 WeakPolarHBondContact CD-OD1 3.45Å; R476-D478 WeakPolarHBondContact CG-OD1 3.45Å; R476-D478 IonicContact CZ-OD1 2.8Å; R476-D478 IonicContact CZ-OD2 3.65Å; R476-D478 VanDerWaalsContact CZ-OD2 3.28Å; R476-D478 VanDerWaalsContact NE-CG 3.33Å; R476-D478 IonicContact NE-OD1 3.22Å; R476-D478 PolarHBondContact NE-OD1 2.88Å; R476-D478 IonicContact NE-OD2 3.38Å; R476-D478 PolarHBondContact NE-OD2 3.49Å; R476-D478 IonicContact NH2-OD1 3.09Å; R476-D478 IonicContact NH2-OD2 3.46Å; R476-D478 PolarHBondContact NH2-OD2 2.99Å; R476-D478 PolarHBondContact O-N 3.45Å; R476-E479 HydrophobicContact CB-CB 4.43Å; R476-E479 HydrophobicContact CB-CG 4.16Å; R476-E479 PolarHBondContact N-OE2 3.11Å; R476-E479 WeakPolarHBondContact O-CB 3.34Å; R476-E479 PolarHBondContact O-N 2.85Å; R476-F480 PolarHBondContact O-N 3.39Å; R476-D605 PolarHBondContact NH1-O 3.35Å
477	R	93.3	Very high	93.4	Very high	148 Å²	148	45.7 Å²	45.7	56%	0.558	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-34.4	-171.9	177.3	163.8	-88.8	-96.9	-1.7	114.2	S91 V93	S91-R477 PolarHBondContact O-N 3.39Å; V93-R477 HydrophobicContact CG2-CB 4.22Å; V93-R477 HydrophobicContact CG2-CG 4.41Å
478	D	93.3	Very high	93.5	Very high	61 Å²	61	46.3 Å²	46.3	33%	0.326	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-30.8	173.7	56.5	-24.1	0	0	0	113.8	E86 R476 F480	E86-D478 WeakPolarHBondContact O-CB 3.46Å; E86-D478 PolarHBondContact O-N 3.08Å; R476-D478 VanDerWaalsContact C-N 3.27Å; R476-D478 VanDerWaalsContact CB-OD1 3.29Å; R476-D478 WeakPolarHBondContact CB-OD1 3.37Å; R476-D478 WeakPolarHBondContact CD-OD1 3.45Å; R476-D478 WeakPolarHBondContact CG-OD1 3.45Å; R476-D478 IonicContact CZ-OD1 2.8Å; R476-D478 IonicContact CZ-OD2 3.65Å; R476-D478 VanDerWaalsContact CZ-OD2 3.28Å; R476-D478 VanDerWaalsContact NE-CG 3.33Å; R476-D478 IonicContact NE-OD1 3.22Å; R476-D478 PolarHBondContact NE-OD1 2.88Å; R476-D478 IonicContact NE-OD2 3.38Å; R476-D478 PolarHBondContact NE-OD2 3.49Å; R476-D478 IonicContact NH2-OD1 3.09Å; R476-D478 IonicContact NH2-OD2 3.46Å; R476-D478 PolarHBondContact NH2-OD2 2.99Å; R476-D478 PolarHBondContact O-N 3.45Å; D478-F480 VanDerWaalsContact C-N 3.34Å
479	E	94.8	Very high	93.6	Very high	15 Å²	15	47.5 Å²	47.5	7%	0.07	24%	0.24	C	C	.	.	H	α-helix	trans	-74.2	-24.3	177	-71.6	-174.5	145.1	0	0	113.1	F475 R476 Q481 S482 H483 S582 S635 L637	F475-E479 HydrophobicContact CB-CB 4.09Å; R476-E479 HydrophobicContact CB-CB 4.43Å; R476-E479 HydrophobicContact CB-CG 4.16Å; R476-E479 PolarHBondContact N-OE2 3.11Å; R476-E479 WeakPolarHBondContact O-CB 3.34Å; R476-E479 PolarHBondContact O-N 2.85Å; E479-Q481 VanDerWaalsContact C-N 3.34Å; E479-Q481 PolarHBondContact O-N 2.84Å; E479-S482 PolarHBondContact O-N 3.01Å; E479-S482 PolarHBondContact O-OG 2.84Å; E479-H483 PolarHBondContact O-N 3.4Å; E479-S582 PolarHBondContact OE1-OG 3.27Å; E479-S635 PolarHBondContact OE1-OG 3.42Å; E479-S635 VanDerWaalsContact OE1-OG 3.06Å; E479-S635 WeakPolarHBondContact OE2-CB 3.37Å; E479-S635 PolarHBondContact OE2-OG 3.41Å; E479-L637 HydrophobicContact CB-CD2 3.65Å; E479-L637 HydrophobicContact CG-CD2 3.67Å
480	F	94.8	Very high	93.6	Very high	60 Å²	60	48.3 Å²	48.3	26%	0.263	25%	0.246	S	C	.	.	H	α-helix	trans	-59.5	-41.4	-173.3	179.3	-101.4	0	0	0	112.9	V93 C95 R476 D478 H483 F484	V93-F480 HydrophobicContact CG1-CD2 4.12Å; V93-F480 HydrophobicContact CG1-CE2 4.35Å; V93-F480 HydrophobicContact CG1-CG 4.44Å; C95-F480 HydrophobicContact CB-CE2 4.06Å; R476-F480 PolarHBondContact O-N 3.39Å; D478-F480 VanDerWaalsContact C-N 3.34Å; F480-H483 PolarHBondContact O-N 3.07Å; F480-F484 HydrophobicContact CE1-CB 4.47Å; F480-F484 HydrophobicContact CZ-CB 4.43Å; F480-F484 HydrophobicContact CZ-CD2 4.2Å; F480-F484 WeakPolarHBondContact O-CB 3.03Å; F480-F484 PolarHBondContact O-N 3.5Å
481	Q	94.9	Very high	93.7	Very high	155 Å²	155	44.7 Å²	44.7	72%	0.724	22%	0.224	S	C	*	.	H	α-helix	trans	-63	-46	-178.6	-177.1	-178.8	3.8	0	0	111.6	E479 R485	E479-Q481 VanDerWaalsContact C-N 3.34Å; E479-Q481 PolarHBondContact O-N 2.84Å; Q481-R485 WeakPolarHBondContact O-CB 3.43Å; Q481-R485 PolarHBondContact O-N 3.47Å
482	S	95.1	Very high	93.6	Very high	22 Å²	22	45.1 Å²	45.1	15%	0.154	22%	0.224	C	C	.	.	H	α-helix	trans	-64.3	-42.7	176.8	39.8	0	0	0	0	111.8	E479 N486	E479-S482 PolarHBondContact O-N 3.01Å; E479-S482 PolarHBondContact O-OG 2.84Å; S482-N486 WeakPolarHBondContact O-CB 3.41Å; S482-N486 PolarHBondContact O-N 3.25Å; S482-N486 PolarHBondContact O-OD1 3.43Å
483	H	95.3	Very high	93.5	Very high	14 Å²	14	47 Å²	47	7%	0.065	24%	0.236	C	C	.	.	H	α-helix	trans	-57.7	-54.3	176	168	64.5	0	0	0	111.1	C95 C471 F475 E479 F480 R485 N486 A487 H488 L637	C95-H483 PolarHBondContact SG-NE2 2.86Å; C95-H483 VanDerWaalsContact SG-NE2 3.44Å; C471-H483 PolarHBondContact SG-NE2 3.08Å; C471-H483 VanDerWaalsContact SG-NE2 3.38Å; F475-H483 HydrophobicContact CD1-CB 4.3Å; F475-H483 HydrophobicContact CD2-CB 4.26Å; F475-H483 AromaticContact CD2-CD2 3.73Å; F475-H483 AromaticContact CD2-CG 3.89Å; F475-H483 HydrophobicContact CE1-CB 4.18Å; F475-H483 AromaticContact CE1-CG 3.97Å; F475-H483 AromaticContact CE1-ND1 3.92Å; F475-H483 HydrophobicContact CE2-CB 4.13Å; F475-H483 AromaticContact CE2-CD2 3.21Å; F475-H483 WeakPolarHBondContact CE2-CD2 3.48Å; F475-H483 AromaticContact CE2-CE1 3.54Å; F475-H483 AromaticContact CE2-CG 3.35Å; F475-H483 AromaticContact CE2-ND1 3.56Å; F475-H483 AromaticContact CE2-NE2 3.33Å; F475-H483 VanDerWaalsContact CE2-NE2 3.33Å; F475-H483 WeakPolarHBondContact CE2-NE2 3.42Å; F475-H483 HydrophobicContact CG-CB 4.35Å; F475-H483 HydrophobicContact CZ-CB 4.1Å; F475-H483 AromaticContact CZ-CD2 3.76Å; F475-H483 AromaticContact CZ-CE1 3.46Å; F475-H483 VanDerWaalsContact CZ-CE1 3.46Å; F475-H483 WeakPolarHBondContact CZ-CE1 3.27Å; F475-H483 AromaticContact CZ-CG 3.4Å; F475-H483 VanDerWaalsContact CZ-CG 3.4Å; F475-H483 AromaticContact CZ-ND1 3.22Å; F475-H483 WeakPolarHBondContact CZ-ND1 3.25Å; F475-H483 AromaticContact CZ-NE2 3.77Å; E479-H483 PolarHBondContact O-N 3.4Å; F480-H483 PolarHBondContact O-N 3.07Å; H483-R485 VanDerWaalsContact C-N 3.35Å; H483-R485 PolarHBondContact O-N 3.15Å; H483-N486 PolarHBondContact O-N 3.12Å; H483-A487 WeakPolarHBondContact O-CB 3.34Å; H483-A487 PolarHBondContact O-N 3.41Å; H483-H488 AromaticContact CE1-NE2 3.73Å; H483-H488 AromaticContact NE2-CD2 3.73Å; H483-H488 AromaticContact NE2-NE2 3.23Å; H483-H488 PolarHBondContact NE2-NE2 2.91Å; H483-L637 HydrophobicContact CB-CD1 4.01Å
484	F	95.4	Very high	93.4	Very high	70 Å²	70	46.1 Å²	46.1	31%	0.307	24%	0.236	S	C	.	.	I	π-helix	trans	-61	-46.2	-175.8	-172.1	-90.6	0	0	0	111.4	Q97 F480 H488 C489	Q97-F484 HydrophobicContact CB-CE2 4.2Å; Q97-F484 HydrophobicContact CG-CE2 4.48Å; F480-F484 HydrophobicContact CE1-CB 4.47Å; F480-F484 HydrophobicContact CZ-CB 4.43Å; F480-F484 HydrophobicContact CZ-CD2 4.2Å; F480-F484 WeakPolarHBondContact O-CB 3.03Å; F480-F484 PolarHBondContact O-N 3.5Å; F484-H488 WeakPolarHBondContact O-CB 3.25Å; F484-H488 PolarHBondContact O-N 3.42Å; F484-H488 VanDerWaalsContact O-N 3.11Å; F484-C489 WeakPolarHBondContact CE1-SG 3.2Å; F484-C489 PolarHBondContact O-N 3.37Å; F484-C489 VanDerWaalsContact O-N 3.12Å
485	R	95.5	Very high	93.2	Very high	107 Å²	107	45.2 Å²	45.2	40%	0.404	23%	0.229	S	C	.	.	I	π-helix	trans	-61.5	-56.6	177.9	-177.9	-179.7	175.2	-160	-5.5	111.6	Q481 H483 C489 D490 D642	Q481-R485 WeakPolarHBondContact O-CB 3.43Å; Q481-R485 PolarHBondContact O-N 3.47Å; H483-R485 VanDerWaalsContact C-N 3.35Å; H483-R485 PolarHBondContact O-N 3.15Å; R485-C489 VanDerWaalsContact O-CB 3.32Å; R485-C489 WeakPolarHBondContact O-CB 3.48Å; R485-C489 PolarHBondContact O-N 2.99Å; R485-D490 VanDerWaalsContact O-CG 3.22Å; R485-D490 PolarHBondContact O-N 2.98Å; R485-D642 PolarHBondContact NH2-O 3.44Å
486	N	94.5	Very high	92.6	Very high	3 Å²	3	48 Å²	48	2%	0.016	25%	0.248	C	C	.	.	I	π-helix	trans	-75.3	-44.7	-171.7	-62	147.5	0	0	0	112.5	S482 H483 D490 I491 F638 V641	S482-N486 WeakPolarHBondContact O-CB 3.41Å; S482-N486 PolarHBondContact O-N 3.25Å; S482-N486 PolarHBondContact O-OD1 3.43Å; H483-N486 PolarHBondContact O-N 3.12Å; N486-D490 PolarHBondContact ND2-OD2 3.38Å; N486-I491 WeakPolarHBondContact O-CB 3.44Å; N486-I491 VanDerWaalsContact O-CD1 3.24Å; N486-I491 WeakPolarHBondContact O-CD1 3.26Å; N486-I491 WeakPolarHBondContact O-CG1 3.43Å; N486-I491 PolarHBondContact O-N 2.8Å; N486-I491 VanDerWaalsContact O-N 3.14Å; N486-F638 HydrophobicContact CB-CE2 4.07Å; N486-F638 HydrophobicContact CB-CZ 3.72Å; N486-V641 PolarHBondContact ND2-O 2.81Å; N486-V641 PolarHBondContact OD1-N 3.13Å
487	A	93.3	Very high	91.8	Very high	7 Å²	7	48.7 Å²	48.7	6%	0.058	26%	0.263	C	S	.	.	I	π-helix	trans	-74.6	-45.3	-177	0	0	0	0	0	112.4	H483 Q492 L535	H483-A487 WeakPolarHBondContact O-CB 3.34Å; H483-A487 PolarHBondContact O-N 3.41Å; A487-Q492 VanDerWaalsContact O-CB 3.3Å; A487-Q492 WeakPolarHBondContact O-CB 3.47Å; A487-Q492 PolarHBondContact O-N 3.08Å; A487-L535 HydrophobicContact CB-CD1 4Å
488	H	93.4	Very high	91.4	Very high	13 Å²	13	49.7 Å²	49.7	6%	0.06	27%	0.267	C	S	.	.	I	π-helix	trans	-98.6	-48.9	-170.9	-60.4	-56.5	0	0	0	113.5	C95 Q97 W99 C471 H483 F484 Q492 A493	C95-H488 PolarHBondContact SG-NE2 3.47Å; Q97-H488 HydrophobicContact CG-CB 4Å; W99-H488 AromaticContact CZ3-CE1 3.91Å; C471-H488 PolarHBondContact SG-NE2 2.96Å; C471-H488 VanDerWaalsContact SG-NE2 3.35Å; H483-H488 AromaticContact CE1-NE2 3.73Å; H483-H488 AromaticContact NE2-CD2 3.73Å; H483-H488 AromaticContact NE2-NE2 3.23Å; H483-H488 PolarHBondContact NE2-NE2 2.91Å; F484-H488 WeakPolarHBondContact O-CB 3.25Å; F484-H488 PolarHBondContact O-N 3.42Å; F484-H488 VanDerWaalsContact O-N 3.11Å; H488-Q492 PolarHBondContact ND1-OE1 3.09Å; H488-A493 VanDerWaalsContact O-CB 3.29Å; H488-A493 WeakPolarHBondContact O-CB 3.41Å; H488-A493 PolarHBondContact O-N 3.22Å
489	C	92.4	Very high	91.2	Very high	59 Å²	59	47 Å²	47	40%	0.399	25%	0.252	S	S	.	.	I	π-helix	trans	-74.2	-50.2	-179.2	-56	0	0	0	0	112.5	F484 R485	F484-C489 WeakPolarHBondContact CE1-SG 3.2Å; F484-C489 PolarHBondContact O-N 3.37Å; F484-C489 VanDerWaalsContact O-N 3.12Å; R485-C489 VanDerWaalsContact O-CB 3.32Å; R485-C489 WeakPolarHBondContact O-CB 3.48Å; R485-C489 PolarHBondContact O-N 2.99Å
490	D	92.9	Very high	91	Very high	34 Å²	34	46.4 Å²	46.4	18%	0.182	25%	0.249	C	C	.	.	I	π-helix	trans	-80.6	-47.2	-172.2	-59.6	-20.1	0	0	0	111.7	R485 N486 S494 W644	R485-D490 VanDerWaalsContact O-CG 3.22Å; R485-D490 PolarHBondContact O-N 2.98Å; N486-D490 PolarHBondContact ND2-OD2 3.38Å; D490-S494 VanDerWaalsContact O-CB 3.31Å; D490-S494 WeakPolarHBondContact O-CB 3.2Å; D490-W644 HydrophobicContact CB-CZ2 4.37Å; D490-W644 PolarHBondContact OD2-NE1 3.38Å
491	I	92.4	Very high	90.8	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.248	C	C	.	.	I	π-helix	trans	-89.5	-66.2	-174.5	-63.4	163.9	0	0	0	110.7	L127 N486 S494 L495 F499 I526 L535 F638 W644	L127-I491 HydrophobicContact CD2-CG2 4.07Å; N486-I491 WeakPolarHBondContact O-CB 3.44Å; N486-I491 VanDerWaalsContact O-CD1 3.24Å; N486-I491 WeakPolarHBondContact O-CD1 3.26Å; N486-I491 WeakPolarHBondContact O-CG1 3.43Å; N486-I491 PolarHBondContact O-N 2.8Å; N486-I491 VanDerWaalsContact O-N 3.14Å; I491-S494 CarbonylContact O-C 3.55Å; I491-S494 PolarHBondContact O-N 2.69Å; I491-L495 HydrophobicContact CG2-CD1 4.36Å; I491-L495 VanDerWaalsContact O-CA 3.23Å; I491-L495 WeakPolarHBondContact O-CA 3.07Å; I491-L495 VanDerWaalsContact O-CB 3.29Å; I491-L495 WeakPolarHBondContact O-CB 3.5Å; I491-L495 PolarHBondContact O-N 3.46Å; I491-F499 HydrophobicContact CG1-CD2 4.34Å; I491-F499 HydrophobicContact CG1-CE1 4.46Å; I491-F499 HydrophobicContact CG1-CE2 3.81Å; I491-F499 HydrophobicContact CG1-CZ 3.88Å; I491-I526 HydrophobicContact CD1-CD1 3.9Å; I491-I526 HydrophobicContact CD1-CG1 4.04Å; I491-I526 HydrophobicContact CD1-CG2 4.15Å; I491-L535 HydrophobicContact CD1-CD1 4.06Å; I491-L535 HydrophobicContact CG2-CD1 4.24Å; I491-F638 HydrophobicContact CD1-CZ 4.04Å; I491-W644 HydrophobicContact CD1-CH2 4.23Å; I491-W644 HydrophobicContact CD1-CZ2 4.27Å; I491-W644 HydrophobicContact CG1-CH2 4.3Å; I491-W644 HydrophobicContact CG1-CZ2 4.16Å
492	Q	91.3	Very high	90.6	Very high	26 Å²	26	40.5 Å²	40.5	12%	0.121	22%	0.221	C	C	.	.	I	π-helix	trans	-63.5	-50	-170.2	-175.1	-178	-19.4	0	0	113.1	A487 H488 S494 L495	A487-Q492 VanDerWaalsContact O-CB 3.3Å; A487-Q492 WeakPolarHBondContact O-CB 3.47Å; A487-Q492 PolarHBondContact O-N 3.08Å; H488-Q492 PolarHBondContact ND1-OE1 3.09Å; Q492-S494 PolarHBondContact O-N 3.11Å; Q492-L495 WeakPolarHBondContact O-CB 3.43Å; Q492-L495 PolarHBondContact O-N 3.1Å
493	A	88.9	Confident	90.5	Very high	81 Å²	81	39.6 Å²	39.6	67%	0.669	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-23.3	-178	0	0	0	0	0	113.2	H488	H488-A493 VanDerWaalsContact O-CB 3.29Å; H488-A493 WeakPolarHBondContact O-CB 3.41Å; H488-A493 PolarHBondContact O-N 3.22Å
494	S	88.6	Confident	90.2	Very high	40 Å²	40	42.9 Å²	42.9	28%	0.28	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	14.1	179.4	-50.7	0	0	0	0	112.6	D490 I491 Q492 S496 F499	D490-S494 VanDerWaalsContact O-CB 3.31Å; D490-S494 WeakPolarHBondContact O-CB 3.2Å; I491-S494 CarbonylContact O-C 3.55Å; I491-S494 PolarHBondContact O-N 2.69Å; Q492-S494 PolarHBondContact O-N 3.11Å; S494-S496 PolarHBondContact O-N 3.09Å; S494-F499 WeakPolarHBondContact O-CB 3.34Å; S494-F499 PolarHBondContact O-N 2.7Å
495	L	89.1	Confident	90.1	Very high	11 Å²	11	40.7 Å²	40.7	6%	0.058	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-47.7	-168.7	-172.7	61.6	0	0	0	111.8	L127 D128 L131 I491 Q492 Q500	L127-L495 HydrophobicContact CB-CD1 4.42Å; L127-L495 HydrophobicContact CD2-CD1 3.65Å; L127-L495 HydrophobicContact CG-CD1 3.88Å; D128-L495 HydrophobicContact CB-CD1 4.46Å; D128-L495 HydrophobicContact CB-CD2 3.61Å; D128-L495 HydrophobicContact CB-CG 3.87Å; L131-L495 HydrophobicContact CD1-CD2 3.59Å; I491-L495 HydrophobicContact CG2-CD1 4.36Å; I491-L495 VanDerWaalsContact O-CA 3.23Å; I491-L495 WeakPolarHBondContact O-CA 3.07Å; I491-L495 VanDerWaalsContact O-CB 3.29Å; I491-L495 WeakPolarHBondContact O-CB 3.5Å; I491-L495 PolarHBondContact O-N 3.46Å; Q492-L495 WeakPolarHBondContact O-CB 3.43Å; Q492-L495 PolarHBondContact O-N 3.1Å; L495-Q500 HydrophobicContact CD1-CB 4.44Å; L495-Q500 WeakPolarHBondContact O-CB 3.18Å; L495-Q500 PolarHBondContact O-N 3.11Å
496	S	81.5	Confident	89.8	Confident	59 Å²	59	36.2 Å²	36.2	41%	0.413	22%	0.215	S	C	.	.	B	Isolated β-bridge	trans	-78.2	125	175.7	-171.3	0	0	0	0	110.7	E452 S494 W498	E452-S496 WeakPolarHBondContact OE1-CB 3.29Å; E452-S496 PolarHBondContact OE1-OG 3.11Å; S494-S496 PolarHBondContact O-N 3.09Å; S496-W498 VanDerWaalsContact C-N 3.27Å; S496-W498 PolarHBondContact O-N 3.01Å
497	G	76.9	Confident	89.5	Confident	38 Å²	38	42.7 Å²	42.7	39%	0.392	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	82	-45.3	171.7	0	0	0	0	0	115.7	Q500 R516	G497-Q500 WeakPolarHBondContact CA-O 3.44Å; G497-Q500 PolarHBondContact N-O 3.41Å; G497-R516 PolarHBondContact O-NH1 3.43Å
498	W	85.1	Confident	89.3	Confident	169 Å²	169	45.8 Å²	45.8	64%	0.64	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-61.9	-177.4	-74.9	92.7	0	0	0	112.1	S496 R516 F517	S496-W498 VanDerWaalsContact C-N 3.27Å; S496-W498 PolarHBondContact O-N 3.01Å; W498-R516 WeakPolarHBondContact O-CD 3.48Å; W498-F517 HydrophobicContact CB-CE2 4.46Å; W498-F517 WeakPolarHBondContact O-CE2 3.08Å
499	F	89.8	Confident	89.1	Confident	3 Å²	3	45.2 Å²	45.2	1%	0.013	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-49.6	-175.1	-160.4	-79.5	0	0	0	111.9	L127 I491 S494 I515 R516 F517 I526 W644	L127-F499 HydrophobicContact CD2-CD1 4.41Å; L127-F499 HydrophobicContact CD2-CE1 4.27Å; I491-F499 HydrophobicContact CG1-CD2 4.34Å; I491-F499 HydrophobicContact CG1-CE1 4.46Å; I491-F499 HydrophobicContact CG1-CE2 3.81Å; I491-F499 HydrophobicContact CG1-CZ 3.88Å; S494-F499 WeakPolarHBondContact O-CB 3.34Å; S494-F499 PolarHBondContact O-N 2.7Å; F499-I515 HydrophobicContact CD1-CG2 4.3Å; F499-I515 HydrophobicContact CE1-CG2 3.96Å; F499-R516 PolarHBondContact O-N 3.12Å; F499-F517 HydrophobicContact CB-CD2 4.27Å; F499-F517 HydrophobicContact CD2-CB 4.23Å; F499-F517 AromaticContact CD2-CD2 3.79Å; F499-F517 HydrophobicContact CD2-CD2 3.79Å; F499-F517 HydrophobicContact CD2-CG 4.5Å; F499-F517 HydrophobicContact CE2-CB 4.02Å; F499-F517 HydrophobicContact CE2-CD2 4.4Å; F499-F517 HydrophobicContact CG-CD2 4.17Å; F499-F517 HydrophobicContact CZ-CB 4.41Å; F499-I526 HydrophobicContact CE1-CB 4.41Å; F499-I526 HydrophobicContact CE1-CG1 4.45Å; F499-I526 HydrophobicContact CZ-CB 4.49Å; F499-I526 HydrophobicContact CZ-CG1 4.05Å; F499-W644 AromaticContact CE2-CD2 3.98Å; F499-W644 HydrophobicContact CE2-CD2 3.98Å; F499-W644 AromaticContact CE2-CE3 3.72Å; F499-W644 HydrophobicContact CE2-CE3 3.72Å; F499-W644 AromaticContact CE2-CH2 3.71Å; F499-W644 HydrophobicContact CE2-CH2 3.71Å; F499-W644 AromaticContact CE2-CZ2 3.95Å; F499-W644 HydrophobicContact CE2-CZ2 3.95Å; F499-W644 AromaticContact CE2-CZ3 3.59Å; F499-W644 HydrophobicContact CE2-CZ3 3.59Å; F499-W644 AromaticContact CZ-CE3 3.99Å; F499-W644 HydrophobicContact CZ-CE3 3.99Å; F499-W644 AromaticContact CZ-CH2 3.62Å; F499-W644 HydrophobicContact CZ-CH2 3.62Å; F499-W644 HydrophobicContact CZ-CZ2 4.31Å; F499-W644 AromaticContact CZ-CZ3 3.44Å; F499-W644 HydrophobicContact CZ-CZ3 3.44Å; F499-W644 VanDerWaalsContact CZ-CZ3 3.44Å
500	Q	90.8	Very high	89	Confident	3 Å²	3	42.8 Å²	42.8	1%	0.014	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	125.2	168.8	-166.2	179.4	-74.1	0	0	109.7	L127 D128 L495 G497 S513	L127-Q500 VanDerWaalsContact N-OE1 3.11Å; D128-Q500 PolarHBondContact OD1-NE2 2.91Å; D128-Q500 PolarHBondContact OD2-NE2 3.22Å; L495-Q500 HydrophobicContact CD1-CB 4.44Å; L495-Q500 WeakPolarHBondContact O-CB 3.18Å; L495-Q500 PolarHBondContact O-N 3.11Å; G497-Q500 WeakPolarHBondContact CA-O 3.44Å; G497-Q500 PolarHBondContact N-O 3.41Å; Q500-S513 PolarHBondContact NE2-OG 3.46Å
501	Q	90.7	Very high	88.9	Confident	53 Å²	53	43.4 Å²	43.4	25%	0.248	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	119	177.8	-171.1	-176.7	17.6	0	0	110.2	S513 Q514 R516 M652	Q501-S513 CarbonylContact O-C 3.49Å; Q501-S513 VanDerWaalsContact O-CA 3.3Å; Q501-S513 WeakPolarHBondContact O-CA 3.41Å; Q501-Q514 HydrophobicContact CB-CG 4.31Å; Q501-Q514 PolarHBondContact N-O 3.02Å; Q501-Q514 PolarHBondContact O-N 2.99Å; Q501-R516 HydrophobicContact CB-CG 3.82Å; Q501-M652 HydrophobicContact CB-CE 4.47Å; Q501-M652 HydrophobicContact CG-CE 3.86Å
502	R	90.3	Very high	88.8	Confident	38 Å²	38	46.6 Å²	46.6	14%	0.143	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	159.3	172.1	-69.5	-173.1	164.3	-80.7	-2	111.4	F111 D128 A506	F111-R502 VanDerWaalsContact CE2-NH1 3.29Å; F111-R502 VanDerWaalsContact CZ-CZ 3.45Å; D128-R502 IonicContact OD1-CZ 3.56Å; D128-R502 IonicContact OD1-NH2 3.41Å; D128-R502 PolarHBondContact OD1-NH2 3.16Å; D128-R502 IonicContact OD2-CZ 3.36Å; D128-R502 IonicContact OD2-NE 2.76Å; D128-R502 PolarHBondContact OD2-NE 3.44Å; D128-R502 IonicContact OD2-NH2 3.67Å; D128-R502 PolarHBondContact OD2-NH2 3.14Å; R502-A506 HydrophobicContact CB-CB 4.38Å
503	C	91.5	Very high	88.7	Confident	3 Å²	3	46.2 Å²	46.2	2%	0.02	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-55.9	133.5	166.9	-178.2	0	0	0	0	109.8	L505 A506 C510 F512 M652	C503-L505 PolarHBondContact O-N 2.59Å; C503-L505 PolarHBondContact SG-N 3.44Å; C503-A506 VanDerWaalsContact O-CB 3.22Å; C503-A506 WeakPolarHBondContact O-CB 3.41Å; C503-A506 PolarHBondContact O-N 3.37Å; C503-C510 HydrophobicContact CB-CB 3.98Å; C503-F512 HydrophobicContact CB-CB 4.41Å; C503-F512 PolarHBondContact N-O 3.49Å; C503-F512 VanDerWaalsContact N-O 3.1Å; C503-M652 HydrophobicContact CB-SD 4.43Å
504	P	91.1	Very high	88.8	Confident	84 Å²	84	43.6 Å²	43.6	55%	0.545	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-19.1	174.5	-26.6	34.8	0	0	0	114.1	A506 Y507	P504-A506 VanDerWaalsContact C-N 3.33Å; P504-Y507 VanDerWaalsContact O-CD1 3.26Å; P504-Y507 WeakPolarHBondContact O-CD1 3.49Å; P504-Y507 VanDerWaalsContact O-CE1 3.29Å; P504-Y507 WeakPolarHBondContact O-CE1 3.24Å
505	L	91.7	Very high	88.8	Confident	23 Å²	23	44 Å²	44	12%	0.12	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	19	177.5	-50.4	172.9	0	0	0	112.2	C503 Y507 L508 C510 L656 F661 Y662	C503-L505 PolarHBondContact O-N 2.59Å; C503-L505 PolarHBondContact SG-N 3.44Å; L505-Y507 HydrophobicContact CD2-CE1 4.18Å; L505-Y507 PolarHBondContact O-N 3.34Å; L505-L508 HydrophobicContact CB-CD1 4.36Å; L505-L508 HydrophobicContact CD2-CD1 4.14Å; L505-L508 WeakPolarHBondContact O-CB 3.25Å; L505-L508 PolarHBondContact O-N 3.37Å; L505-C510 PolarHBondContact O-N 3.26Å; L505-L656 HydrophobicContact CD1-CD2 4.21Å; L505-F661 HydrophobicContact CB-CB 4.08Å; L505-F661 HydrophobicContact CD1-CB 4.19Å; L505-Y662 VanDerWaalsContact CD1-CA 3.43Å; L505-Y662 VanDerWaalsContact CD1-CB 3.5Å; L505-Y662 HydrophobicContact CD1-CD2 3.77Å; L505-Y662 HydrophobicContact CD1-CG 4.09Å
506	A	89.9	Confident	88.8	Confident	14 Å²	14	46.4 Å²	46.4	12%	0.116	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-56.9	-38.8	176	0	0	0	0	0	111.5	F111 R502 C503 P504 L508 G509 C510	F111-A506 WeakPolarHBondContact CB-O 3.33Å; F111-A506 HydrophobicContact CD2-CB 4.12Å; F111-A506 WeakPolarHBondContact CD2-O 3.26Å; F111-A506 HydrophobicContact CE2-CB 4.27Å; R502-A506 HydrophobicContact CB-CB 4.38Å; C503-A506 VanDerWaalsContact O-CB 3.22Å; C503-A506 WeakPolarHBondContact O-CB 3.41Å; C503-A506 PolarHBondContact O-N 3.37Å; P504-A506 VanDerWaalsContact C-N 3.33Å; A506-L508 PolarHBondContact O-N 3.3Å; A506-L508 VanDerWaalsContact O-N 3.15Å; A506-G509 WeakPolarHBondContact O-CA 3.43Å; A506-G509 PolarHBondContact O-N 3.07Å; A506-C510 WeakPolarHBondContact CA-O 3.49Å
507	Y	87.6	Confident	89.2	Confident	139 Å²	139	45.2 Å²	45.2	55%	0.545	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-59.5	-23.6	175.2	75.6	-85.7	0	0	0	113.8	T110 P504 L505	T110-Y507 PolarHBondContact OG1-O 3.03Å; T110-Y507 VanDerWaalsContact OG1-O 3.09Å; P504-Y507 VanDerWaalsContact O-CD1 3.26Å; P504-Y507 WeakPolarHBondContact O-CD1 3.49Å; P504-Y507 VanDerWaalsContact O-CE1 3.29Å; P504-Y507 WeakPolarHBondContact O-CE1 3.24Å; L505-Y507 HydrophobicContact CD2-CE1 4.18Å; L505-Y507 PolarHBondContact O-N 3.34Å
508	L	89.5	Confident	89.9	Confident	72 Å²	72	45.4 Å²	45.4	38%	0.377	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-84.8	-12.1	173.4	-63.7	178.9	0	0	0	113	L505 A506 F661	L505-L508 HydrophobicContact CB-CD1 4.36Å; L505-L508 HydrophobicContact CD2-CD1 4.14Å; L505-L508 WeakPolarHBondContact O-CB 3.25Å; L505-L508 PolarHBondContact O-N 3.37Å; A506-L508 PolarHBondContact O-N 3.3Å; A506-L508 VanDerWaalsContact O-N 3.15Å; L508-F661 HydrophobicContact CB-CB 4.21Å; L508-F661 HydrophobicContact CB-CD1 3.8Å; L508-F661 HydrophobicContact CB-CG 4.27Å; L508-F661 HydrophobicContact CD1-CB 4.46Å; L508-F661 VanDerWaalsContact O-CD1 3.32Å; L508-F661 WeakPolarHBondContact O-CD1 3.47Å; L508-F661 WeakPolarHBondContact O-CE1 3.18Å
509	G	89.6	Confident	90.2	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.01	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	123.5	2	179.6	0	0	0	0	0	115.3	N114 A506 T511 F661	N114-G509 VanDerWaalsContact ND2-CA 3.31Å; N114-G509 WeakPolarHBondContact ND2-CA 3.37Å; N114-G509 PolarHBondContact ND2-O 2.72Å; A506-G509 WeakPolarHBondContact O-CA 3.43Å; A506-G509 PolarHBondContact O-N 3.07Å; G509-T511 PolarHBondContact O-N 3.38Å; G509-F661 VanDerWaalsContact C-CZ 3.46Å
510	C	90.8	Very high	90.1	Very high	7 Å²	7	40.5 Å²	40.5	5%	0.047	21%	0.206	C	C	.	.			trans	-71.3	120.6	-180	-169	0	0	0	0	111.9	C503 L505 A506 H655 C659 F661	C503-C510 HydrophobicContact CB-CB 3.98Å; L505-C510 PolarHBondContact O-N 3.26Å; A506-C510 WeakPolarHBondContact CA-O 3.49Å; C510-H655 PolarHBondContact SG-NE2 2.87Å; C510-C659 VanDerWaalsContact SG-SG 3.67Å; C510-F661 HydrophobicContact CB-CD2 3.57Å; C510-F661 HydrophobicContact CB-CE2 4.07Å; C510-F661 HydrophobicContact CB-CG 4.28Å
511	T	90.1	Very high	89.7	Confident	48 Å²	48	44.2 Å²	44.2	29%	0.294	25%	0.245	S	C	.	.			trans	-88.6	-3.3	-178.6	58.4	0	0	0	0	114.2	N114 V115 G509 S513	N114-T511 HydrophobicContact CB-CG2 3.72Å; V115-T511 HydrophobicContact CG2-CG2 3.8Å; G509-T511 PolarHBondContact O-N 3.38Å; T511-S513 PolarHBondContact O-N 3.04Å
512	F	90.3	Very high	89.1	Confident	66 Å²	66	47.5 Å²	47.5	29%	0.289	26%	0.26	S	S	.	.			trans	-63.8	134	-177.1	-178.8	-95.6	0	0	0	112.1	C503 M652 H655	C503-F512 HydrophobicContact CB-CB 4.41Å; C503-F512 PolarHBondContact N-O 3.49Å; C503-F512 VanDerWaalsContact N-O 3.1Å; F512-M652 HydrophobicContact CD1-CE 4.07Å; F512-M652 HydrophobicContact CD1-SD 3.97Å; F512-M652 HydrophobicContact CE1-CE 3.85Å; F512-M652 HydrophobicContact CE1-SD 3.89Å; F512-H655 WeakPolarHBondContact CB-CE1 3.36Å; F512-H655 HydrophobicContact CD1-CB 3.91Å; F512-H655 AromaticContact CD1-CD2 3.52Å; F512-H655 AromaticContact CD1-CE1 3.91Å; F512-H655 AromaticContact CD1-CG 3.35Å; F512-H655 AromaticContact CD1-ND1 3.62Å; F512-H655 AromaticContact CD1-NE2 3.88Å; F512-H655 AromaticContact CD2-CE1 3.95Å; F512-H655 AromaticContact CD2-ND1 3.52Å; F512-H655 HydrophobicContact CE1-CB 3.6Å; F512-H655 AromaticContact CE1-CG 3.61Å; F512-H655 HydrophobicContact CE2-CB 4.4Å; F512-H655 AromaticContact CE2-ND1 3.98Å; F512-H655 HydrophobicContact CG-CB 4.44Å; F512-H655 AromaticContact CG-CD2 3.88Å; F512-H655 AromaticContact CG-CE1 3.44Å; F512-H655 VanDerWaalsContact CG-CE1 3.44Å; F512-H655 WeakPolarHBondContact CG-CE1 3.07Å; F512-H655 AromaticContact CG-CG 3.61Å; F512-H655 AromaticContact CG-ND1 3.32Å; F512-H655 VanDerWaalsContact CG-ND1 3.32Å; F512-H655 WeakPolarHBondContact CG-ND1 3.43Å; F512-H655 AromaticContact CG-NE2 3.79Å; F512-H655 HydrophobicContact CZ-CB 3.87Å
513	S	90.1	Very high	88.8	Confident	18 Å²	18	52 Å²	52	13%	0.126	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	157.3	173.2	85	0	0	0	0	111.1	N126 Q500 Q501 T511	N126-S513 PolarHBondContact ND2-OG 2.95Å; N126-S513 PolarHBondContact OD1-OG 3.22Å; Q500-S513 PolarHBondContact NE2-OG 3.46Å; Q501-S513 CarbonylContact O-C 3.49Å; Q501-S513 VanDerWaalsContact O-CA 3.3Å; Q501-S513 WeakPolarHBondContact O-CA 3.41Å; T511-S513 PolarHBondContact O-N 3.04Å
514	Q	89.1	Confident	88.6	Confident	27 Å²	27	52 Å²	52	13%	0.126	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	143.3	174.3	63.2	-174.2	61.6	0	0	111.2	Q501 P650 M652	Q501-Q514 HydrophobicContact CB-CG 4.31Å; Q501-Q514 PolarHBondContact N-O 3.02Å; Q501-Q514 PolarHBondContact O-N 2.99Å; Q514-P650 PolarHBondContact NE2-O 3.31Å; Q514-P650 PolarHBondContact OE1-O 3.48Å; Q514-M652 HydrophobicContact CG-CE 4.3Å
515	I	89.3	Confident	88.5	Confident	48 Å²	48	50.8 Å²	50.8	25%	0.246	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	125	173.5	-61.2	176.2	0	0	0	108.8	F499 F517 S647	F499-I515 HydrophobicContact CD1-CG2 4.3Å; F499-I515 HydrophobicContact CE1-CG2 3.96Å; I515-F517 VanDerWaalsContact CG2-O 3.25Å; I515-F517 WeakPolarHBondContact CG2-O 3.45Å; I515-S647 PolarHBondContact O-OG 3.22Å
516	R	89.3	Confident	88.4	Confident	62 Å²	62	49.9 Å²	49.9	23%	0.234	27%	0.269	C	S	.	.			trans	-90.1	-20	-176.8	-72.9	-178.1	63.6	-167.6	8.4	114.1	G497 W498 F499 Q501 F646 S647	G497-R516 PolarHBondContact O-NH1 3.43Å; W498-R516 WeakPolarHBondContact O-CD 3.48Å; F499-R516 PolarHBondContact O-N 3.12Å; Q501-R516 HydrophobicContact CB-CG 3.82Å; R516-F646 CarbonylContact O-C 3.44Å; R516-F646 VanDerWaalsContact O-CA 3.31Å; R516-F646 WeakPolarHBondContact O-CA 3.43Å; R516-S647 WeakPolarHBondContact CA-OG 3.38Å; R516-S647 PolarHBondContact O-N 3.02Å; R516-S647 PolarHBondContact O-OG 2.92Å
517	F	90.1	Very high	88.4	Confident	34 Å²	34	52 Å²	52	15%	0.149	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	143.3	-175.2	-62.1	-59	0	0	0	112.6	W498 F499 I515 W644 S645 F646	W498-F517 HydrophobicContact CB-CE2 4.46Å; W498-F517 WeakPolarHBondContact O-CE2 3.08Å; F499-F517 HydrophobicContact CB-CD2 4.27Å; F499-F517 HydrophobicContact CD2-CB 4.23Å; F499-F517 AromaticContact CD2-CD2 3.79Å; F499-F517 HydrophobicContact CD2-CD2 3.79Å; F499-F517 HydrophobicContact CD2-CG 4.5Å; F499-F517 HydrophobicContact CE2-CB 4.02Å; F499-F517 HydrophobicContact CE2-CD2 4.4Å; F499-F517 HydrophobicContact CG-CD2 4.17Å; F499-F517 HydrophobicContact CZ-CB 4.41Å; I515-F517 VanDerWaalsContact CG2-O 3.25Å; I515-F517 WeakPolarHBondContact CG2-O 3.45Å; F517-W644 HydrophobicContact CB-CB 4.26Å; F517-W644 HydrophobicContact CB-CD2 4.49Å; F517-W644 HydrophobicContact CB-CE3 3.92Å; F517-W644 HydrophobicContact CD1-CB 4.42Å; F517-W644 HydrophobicContact CG-CB 4.41Å; F517-S645 VanDerWaalsContact CA-O 3.3Å; F517-S645 WeakPolarHBondContact CA-O 2.96Å; F517-F646 HydrophobicContact CD1-CD1 4.06Å; F517-F646 HydrophobicContact CD1-CE1 4.19Å; F517-F646 HydrophobicContact CD1-CG 4.5Å; F517-F646 AromaticContact CE1-CD1 3.59Å; F517-F646 HydrophobicContact CE1-CD1 3.59Å; F517-F646 HydrophobicContact CE1-CD2 4.43Å; F517-F646 AromaticContact CE1-CE1 3.28Å; F517-F646 HydrophobicContact CE1-CE1 3.28Å; F517-F646 HydrophobicContact CE1-CE2 4.19Å; F517-F646 HydrophobicContact CE1-CG 4.16Å; F517-F646 AromaticContact CE1-CZ 3.62Å; F517-F646 HydrophobicContact CE1-CZ 3.62Å; F517-F646 HydrophobicContact CZ-CD1 4.37Å; F517-F646 AromaticContact CZ-CE1 3.69Å; F517-F646 HydrophobicContact CZ-CE1 3.69Å; F517-F646 HydrophobicContact CZ-CZ 4.04Å
518	H	90.4	Very high	88.5	Confident	42 Å²	42	46.6 Å²	46.6	19%	0.194	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	160.8	167.3	70.9	98.7	0	0	0	110	S520 Q522 A524 S645 F646	H518-S520 PolarHBondContact O-N 3.04Å; H518-Q522 PolarHBondContact ND1-O 3.42Å; H518-A524 WeakPolarHBondContact CB-O 3.11Å; H518-S645 PolarHBondContact CD2-O 3.26Å; H518-S645 VanDerWaalsContact CD2-O 3.28Å; H518-S645 PolarHBondContact N-O 3.15Å; H518-S645 PolarHBondContact O-N 3.48Å; H518-F646 PolarHBondContact NE2-O 3.34Å
519	P	91.8	Very high	88.4	Confident	7 Å²	7	49.6 Å²	49.6	5%	0.045	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	134.6	173.9	-23.8	35.6	0	0	0	111.6	G521 Q522 A524 L537 V641 W644	P519-G521 PolarHBondContact O-N 3.32Å; P519-Q522 PolarHBondContact O-N 3.34Å; P519-A524 WeakPolarHBondContact CD-O 3.4Å; P519-A524 HydrophobicContact CG-CB 4.23Å; P519-L537 HydrophobicContact CG-CD2 3.59Å; P519-V641 HydrophobicContact CB-CG1 3.92Å; P519-V641 HydrophobicContact CB-CG2 4.12Å; P519-V641 HydrophobicContact CG-CG1 4.3Å; P519-V641 HydrophobicContact CG-CG2 3.92Å; P519-W644 HydrophobicContact CG-CZ3 4.23Å
520	S	88.8	Confident	88.1	Confident	62 Å²	62	53.7 Å²	53.7	43%	0.434	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	129.6	176.2	-174.9	0	0	0	0	110.7	H518 Q522 R643 S645	H518-S520 PolarHBondContact O-N 3.04Å; S520-Q522 VanDerWaalsContact C-N 3.33Å; S520-R643 VanDerWaalsContact CB-O 3.31Å; S520-R643 WeakPolarHBondContact CB-O 3.18Å; S520-R643 PolarHBondContact N-O 3.25Å; S520-S645 WeakPolarHBondContact CB-OG 3.4Å
521	G	81.9	Confident	87.7	Confident	80 Å²	80	60.1 Å²	60.1	83%	0.825	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	-3.3	176.3	0	0	0	0	0	115.4	P519	P519-G521 PolarHBondContact O-N 3.32Å
522	Q	78.9	Confident	87.2	Confident	123 Å²	123	60.1 Å²	60.1	58%	0.575	31%	0.314	S	S	*	.	S	Bend	trans	-137.3	132.2	172	-65.7	-179.7	-2.2	0	0	109.7	H518 P519 S520 A524	H518-Q522 PolarHBondContact ND1-O 3.42Å; P519-Q522 PolarHBondContact O-N 3.34Å; S520-Q522 VanDerWaalsContact C-N 3.33Å; Q522-A524 PolarHBondContact O-N 2.94Å; Q522-A524 VanDerWaalsContact O-N 3.07Å
523	E	83.1	Confident	87	Confident	131 Å²	131	59.4 Å²	59.4	61%	0.612	32%	0.317	S	S	*	.			trans	-76.7	96.1	168.3	-68.1	-169.9	167.7	0	0	108	H540	E523-H540 HydrophobicContact CB-CB 3.98Å; E523-H540 WeakPolarHBondContact O-CB 3.46Å; E523-H540 PolarHBondContact O-N 2.68Å; E523-H540 IonicContact OE2-CD2 3.65Å
524	A	87.6	Confident	86.9	Confident	4 Å²	4	58.8 Å²	58.8	3%	0.033	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	147.3	177.9	0	0	0	0	0	110.6	H518 P519 Q522 L537 Q538	H518-A524 WeakPolarHBondContact CB-O 3.11Å; P519-A524 WeakPolarHBondContact CD-O 3.4Å; P519-A524 HydrophobicContact CG-CB 4.23Å; Q522-A524 PolarHBondContact O-N 2.94Å; Q522-A524 VanDerWaalsContact O-N 3.07Å; A524-L537 HydrophobicContact CB-CD2 4.29Å; A524-Q538 CarbonylContact C-O 3.56Å; A524-Q538 VanDerWaalsContact CA-O 3.23Å; A524-Q538 WeakPolarHBondContact CA-O 2.99Å
525	T	88	Confident	87	Confident	58 Å²	58	58.6 Å²	58.6	36%	0.356	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	139.3	178.4	54.2	0	0	0	0	110.2	Q538	T525-Q538 PolarHBondContact N-O 3.04Å; T525-Q538 PolarHBondContact O-N 3.17Å
526	I	90.7	Very high	87.1	Confident	4 Å²	4	57 Å²	57	2%	0.021	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	130.5	171.4	-66.5	-72.6	0	0	0	109.1	L127 I491 F499 L535 V536 L537 F638 W644	L127-I526 HydrophobicContact CD1-CG2 4.21Å; L127-I526 HydrophobicContact CD2-CG2 3.85Å; I491-I526 HydrophobicContact CD1-CD1 3.9Å; I491-I526 HydrophobicContact CD1-CG1 4.04Å; I491-I526 HydrophobicContact CD1-CG2 4.15Å; F499-I526 HydrophobicContact CE1-CB 4.41Å; F499-I526 HydrophobicContact CE1-CG1 4.45Å; F499-I526 HydrophobicContact CZ-CB 4.49Å; F499-I526 HydrophobicContact CZ-CG1 4.05Å; I526-L535 HydrophobicContact CG2-CD2 4.03Å; I526-V536 WeakPolarHBondContact CA-O 3.33Å; I526-L537 HydrophobicContact CD1-CD2 3.3Å; I526-L537 HydrophobicContact CD1-CG 3.72Å; I526-L537 HydrophobicContact CG1-CD2 4.02Å; I526-F638 HydrophobicContact CD1-CE2 4.24Å; I526-F638 HydrophobicContact CD1-CZ 4.18Å; I526-W644 HydrophobicContact CD1-CH2 4.03Å; I526-W644 HydrophobicContact CG1-CH2 3.75Å; I526-W644 HydrophobicContact CG1-CZ3 4.12Å
527	K	89.2	Confident	87.1	Confident	59 Å²	59	55.3 Å²	55.3	26%	0.257	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	157.2	167.2	-67.8	-156.1	-178.2	-175	0	110.1	E124 V536	E124-K527 IonicContact OE1-NZ 3.28Å; E124-K527 PolarHBondContact OE1-NZ 3.22Å; E124-K527 IonicContact OE2-NZ 3.69Å; E124-K527 PolarHBondContact OE2-NZ 3.39Å; K527-V536 HydrophobicContact CB-CG2 4.05Å; K527-V536 PolarHBondContact N-O 3.46Å; K527-V536 WeakPolarHBondContact O-CG2 3.4Å; K527-V536 PolarHBondContact O-N 2.94Å
528	Y	90.3	Very high	87.1	Confident	25 Å²	25	57.7 Å²	57.7	10%	0.098	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	126.6	168.7	178.4	-100.2	0	0	0	109.3	A130 L131 R134 Q530 S533 L535	A130-Y528 HydrophobicContact CB-CD1 3.82Å; A130-Y528 HydrophobicContact CB-CG 4.34Å; L131-Y528 HydrophobicContact CD2-CD2 3.43Å; L131-Y528 VanDerWaalsContact CD2-CD2 3.43Å; L131-Y528 HydrophobicContact CD2-CE2 3.79Å; L131-Y528 HydrophobicContact CD2-CG 3.86Å; R134-Y528 HydrophobicContact CB-CE1 4.02Å; R134-Y528 WeakPolarHBondContact CB-OH 3.45Å; R134-Y528 WeakPolarHBondContact CD-OH 3.38Å; R134-Y528 WeakPolarHBondContact CG-OH 3.5Å; Y528-Q530 HydrophobicContact CE1-CB 4.4Å; Y528-S533 WeakPolarHBondContact OH-CA 3.45Å; Y528-S533 WeakPolarHBondContact OH-CB 3.49Å; Y528-L535 HydrophobicContact CD2-CD2 4.15Å
529	R	87.8	Confident	86.9	Confident	135 Å²	135	58.7 Å²	58.7	51%	0.509	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	114.3	177.8	-68.2	-72.9	-73.2	-134.3	-0.7	109.1	D531 V532 S533 A534 V536	R529-D531 PolarHBondContact O-N 3.17Å; R529-V532 HydrophobicContact CB-CG2 3.51Å; R529-S533 WeakPolarHBondContact O-CA 3.21Å; R529-S533 PolarHBondContact O-N 3.12Å; R529-S533 VanDerWaalsContact O-N 3.13Å; R529-A534 PolarHBondContact N-O 2.87Å; R529-A534 PolarHBondContact O-N 3.29Å; R529-V536 HydrophobicContact CB-CG1 4.35Å; R529-V536 HydrophobicContact CG-CB 4.4Å; R529-V536 HydrophobicContact CG-CG1 3.85Å; R529-V536 HydrophobicContact CG-CG2 3.58Å
530	Q	83.1	Confident	86.4	Confident	87 Å²	87	63.9 Å²	63.9	41%	0.407	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-66.5	-38.1	-175.1	-166.6	170.8	7.8	0	0	112.5	Y528 V532 S533	Y528-Q530 HydrophobicContact CE1-CB 4.4Å; Q530-V532 PolarHBondContact O-N 2.95Å; Q530-V532 VanDerWaalsContact O-N 3.16Å; Q530-S533 PolarHBondContact O-N 3.23Å; Q530-S533 PolarHBondContact O-OG 2.75Å
531	D	81.4	Confident	85.5	Confident	142 Å²	142	68 Å²	68	76%	0.759	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-60	-30.6	-175.6	-44.9	-37.7	0	0	0	114	R529	R529-D531 PolarHBondContact O-N 3.17Å
532	V	80.8	Confident	84.6	Confident	49 Å²	49	67.2 Å²	67.2	30%	0.297	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-113.7	0.1	-175.3	-69.2	0	0	0	0	112	R529 Q530 A534 F583	R529-V532 HydrophobicContact CB-CG2 3.51Å; Q530-V532 PolarHBondContact O-N 2.95Å; Q530-V532 VanDerWaalsContact O-N 3.16Å; V532-A534 VanDerWaalsContact C-N 3.27Å; V532-A534 HydrophobicContact CG2-CB 4.05Å; V532-A534 PolarHBondContact O-N 2.91Å; V532-F583 HydrophobicContact CB-CE2 3.99Å; V532-F583 HydrophobicContact CB-CZ 4.46Å; V532-F583 HydrophobicContact CG1-CE2 4.24Å; V532-F583 HydrophobicContact CG1-CZ 4.48Å; V532-F583 HydrophobicContact CG2-CE2 3.64Å; V532-F583 HydrophobicContact CG2-CZ 3.79Å
533	S	85.4	Confident	83.5	Confident	51 Å²	51	65.3 Å²	65.3	36%	0.357	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.1	46.6	-173.1	-62.6	0	0	0	0	114.4	H473 Y528 R529 Q530	H473-S533 PolarHBondContact NE2-O 3.25Å; Y528-S533 WeakPolarHBondContact OH-CA 3.45Å; Y528-S533 WeakPolarHBondContact OH-CB 3.49Å; R529-S533 WeakPolarHBondContact O-CA 3.21Å; R529-S533 PolarHBondContact O-N 3.12Å; R529-S533 VanDerWaalsContact O-N 3.13Å; Q530-S533 PolarHBondContact O-N 3.23Å; Q530-S533 PolarHBondContact O-OG 2.75Å
534	A	87.7	Confident	82	Confident	5 Å²	5	62.8 Å²	62.8	4%	0.041	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	148.5	-173.4	0	0	0	0	0	112.9	R529 V532 F583	R529-A534 PolarHBondContact N-O 2.87Å; R529-A534 PolarHBondContact O-N 3.29Å; V532-A534 VanDerWaalsContact C-N 3.27Å; V532-A534 HydrophobicContact CG2-CB 4.05Å; V532-A534 PolarHBondContact O-N 2.91Å; A534-F583 HydrophobicContact CB-CD2 4.36Å; A534-F583 HydrophobicContact CB-CE2 4.18Å
535	L	91.4	Very high	80.3	Confident	23 Å²	23	69.4 Å²	69.4	12%	0.12	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	137.5	165.9	-68.1	169.9	0	0	0	109.1	L127 L131 A487 I491 I526 Y528 F638	L127-L535 HydrophobicContact CD1-CD2 3.8Å; L131-L535 HydrophobicContact CD2-CD2 4.27Å; A487-L535 HydrophobicContact CB-CD1 4Å; I491-L535 HydrophobicContact CD1-CD1 4.06Å; I491-L535 HydrophobicContact CG2-CD1 4.24Å; I526-L535 HydrophobicContact CG2-CD2 4.03Å; Y528-L535 HydrophobicContact CD2-CD2 4.15Å; L535-F638 HydrophobicContact CB-CD1 4.08Å; L535-F638 HydrophobicContact CB-CE1 3.83Å; L535-F638 VanDerWaalsContact O-CD1 3.32Å; L535-F638 WeakPolarHBondContact O-CD1 3.1Å
536	V	91.1	Very high	78.3	Confident	13 Å²	13	70 Å²	70	8%	0.079	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	145.3	-179.3	-56.1	0	0	0	0	110.5	I526 K527 R529 F583	I526-V536 WeakPolarHBondContact CA-O 3.33Å; K527-V536 HydrophobicContact CB-CG2 4.05Å; K527-V536 PolarHBondContact N-O 3.46Å; K527-V536 WeakPolarHBondContact O-CG2 3.4Å; K527-V536 PolarHBondContact O-N 2.94Å; R529-V536 HydrophobicContact CB-CG1 4.35Å; R529-V536 HydrophobicContact CG-CB 4.4Å; R529-V536 HydrophobicContact CG-CG1 3.85Å; R529-V536 HydrophobicContact CG-CG2 3.58Å; V536-F583 HydrophobicContact CB-CE1 4.25Å; V536-F583 HydrophobicContact CG1-CD1 3.75Å; V536-F583 HydrophobicContact CG1-CD2 4.47Å; V536-F583 HydrophobicContact CG1-CE1 3.31Å; V536-F583 HydrophobicContact CG1-CE2 4.1Å; V536-F583 HydrophobicContact CG1-CG 4.32Å; V536-F583 HydrophobicContact CG1-CZ 3.52Å
537	L	90.8	Very high	76	Confident	28 Å²	28	74.2 Å²	74.2	15%	0.147	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	117.3	168.1	-82.4	171.2	0	0	0	109.3	P519 A524 I526 P539 F638 S639 V641	P519-L537 HydrophobicContact CG-CD2 3.59Å; A524-L537 HydrophobicContact CB-CD2 4.29Å; I526-L537 HydrophobicContact CD1-CD2 3.3Å; I526-L537 HydrophobicContact CD1-CG 3.72Å; I526-L537 HydrophobicContact CG1-CD2 4.02Å; L537-P539 WeakPolarHBondContact O-CD 3.14Å; L537-F638 HydrophobicContact CD1-CD2 3.45Å; L537-F638 VanDerWaalsContact CD1-CD2 3.45Å; L537-F638 HydrophobicContact CD1-CE2 4Å; L537-F638 HydrophobicContact CD1-CG 4.38Å; L537-F638 HydrophobicContact CG-CD2 3.64Å; L537-F638 HydrophobicContact CG-CE2 4.13Å; L537-F638 HydrophobicContact CG-CG 4.27Å; L537-S639 WeakPolarHBondContact CD1-O 3.48Å; L537-V641 HydrophobicContact CD1-CG2 3.81Å; L537-V641 HydrophobicContact CD2-CG2 4.42Å
538	Q	88.4	Confident	73.8	Confident	84 Å²	84	73.6 Å²	73.6	39%	0.393	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	110.8	173	-177	171.2	-3.9	0	0	109.5	A524 T525	A524-Q538 CarbonylContact C-O 3.56Å; A524-Q538 VanDerWaalsContact CA-O 3.23Å; A524-Q538 WeakPolarHBondContact CA-O 2.99Å; T525-Q538 PolarHBondContact N-O 3.04Å; T525-Q538 PolarHBondContact O-N 3.17Å
539	P	86.1	Confident	71.6	Confident	63 Å²	63	78.6 Å²	78.6	41%	0.409	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	141.1	172.5	25.5	-31.5	0	0	0	110.7	L537 F541	L537-P539 WeakPolarHBondContact O-CD 3.14Å; P539-F541 HydrophobicContact CB-CE2 4.14Å; P539-F541 HydrophobicContact CB-CZ 4.13Å; P539-F541 HydrophobicContact CG-CE2 3.64Å; P539-F541 HydrophobicContact CG-CZ 3.77Å
540	H	81.8	Confident	69.6	Low	116 Å²	116	79.9 Å²	79.9	54%	0.537	43%	0.427	S	S	.	.			trans	-82.2	123.7	172.6	-169	61.2	0	0	0	108.8	E523	E523-H540 HydrophobicContact CB-CB 3.98Å; E523-H540 WeakPolarHBondContact O-CB 3.46Å; E523-H540 PolarHBondContact O-N 2.68Å; E523-H540 IonicContact OE2-CD2 3.65Å
541	F	69.9	Low	67.8	Low	148 Å²	148	80.6 Å²	80.6	65%	0.649	44%	0.442	S	S	*	.			trans	-108.6	125.1	171.7	-63.9	-76.3	0	0	0	108.1	P539 S543	P539-F541 HydrophobicContact CB-CE2 4.14Å; P539-F541 HydrophobicContact CB-CZ 4.13Å; P539-F541 HydrophobicContact CG-CE2 3.64Å; P539-F541 HydrophobicContact CG-CZ 3.77Å; F541-S543 PolarHBondContact O-N 3.28Å
542	P	63.1	Low	66	Low	64 Å²	64	80.2 Å²	80.2	42%	0.416	44%	0.439	S	S	.	.			trans	-60.2	136.9	176.1	21.3	-28.6	0	0	0	109.7	S544 F545	P542-S544 PolarHBondContact O-N 2.9Å; P542-F545 HydrophobicContact CG-CD2 4.16Å; P542-F545 HydrophobicContact CG-CE2 4.3Å; P542-F545 PolarHBondContact O-N 3.49Å; P542-F545 VanDerWaalsContact O-N 3.08Å
543	S	55.1	Low	64	Low	83 Å²	83	81.8 Å²	81.8	58%	0.58	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-14.3	-175.5	40	0	0	0	0	114.7	F541 F545 T546 D547	F541-S543 PolarHBondContact O-N 3.28Å; S543-F545 PolarHBondContact O-N 3.12Å; S543-T546 WeakPolarHBondContact CA-OG1 3.5Å; S543-T546 PolarHBondContact O-N 2.92Å; S543-T546 VanDerWaalsContact O-N 3.16Å; S543-T546 PolarHBondContact O-OG1 2.96Å; S543-D547 PolarHBondContact O-N 3.34Å; S543-D547 VanDerWaalsContact O-N 3.09Å
544	S	53.1	Low	62	Low	78 Å²	78	83.4 Å²	83.4	55%	0.545	46%	0.462	S	S	.	.	H	α-helix	trans	-59.5	-25	171.8	49.9	0	0	0	0	114.2	P542	P542-S544 PolarHBondContact O-N 2.9Å
545	F	50.8	Low	59.9	Low	143 Å²	143	89.9 Å²	89.9	63%	0.627	50%	0.504	S	S	*	.	H	α-helix	trans	-81.4	-32.5	174.2	-75.8	-80.9	0	0	0	113	P542 S543 A548 E549	P542-F545 HydrophobicContact CG-CD2 4.16Å; P542-F545 HydrophobicContact CG-CE2 4.3Å; P542-F545 PolarHBondContact O-N 3.49Å; P542-F545 VanDerWaalsContact O-N 3.08Å; S543-F545 PolarHBondContact O-N 3.12Å; F545-A548 PolarHBondContact O-N 3.02Å; F545-E549 PolarHBondContact O-N 2.99Å
546	T	46.2	Very low	57.8	Low	71 Å²	71	92.6 Å²	92.6	44%	0.436	54%	0.537	S	S	.	.	H	α-helix	trans	-74	-26.4	175.2	43.3	0	0	0	0	112.9	S543 K550	S543-T546 WeakPolarHBondContact CA-OG1 3.5Å; S543-T546 PolarHBondContact O-N 2.92Å; S543-T546 VanDerWaalsContact O-N 3.16Å; S543-T546 PolarHBondContact O-OG1 2.96Å; T546-K550 PolarHBondContact O-N 3.21Å
547	D	43.1	Very low	55.4	Low	92 Å²	92	95.6 Å²	95.6	49%	0.492	56%	0.558	S	S	.	*	H	α-helix	trans	-78.4	-25.7	173.9	-72.9	-26.6	0	0	0	112.6	S543 K550 S551	S543-D547 PolarHBondContact O-N 3.34Å; S543-D547 VanDerWaalsContact O-N 3.09Å; D547-K550 PolarHBondContact O-N 3.36Å; D547-S551 WeakPolarHBondContact O-CB 3.48Å; D547-S551 PolarHBondContact O-N 3.11Å
548	A	43.3	Very low	53.4	Low	45 Å²	45	99.5 Å²	99.5	37%	0.372	60%	0.595	S	S	.	*	H	α-helix	trans	-67.2	-34.2	170.9	0	0	0	0	0	112.3	F545 S551 L552	F545-A548 PolarHBondContact O-N 3.02Å; A548-S551 PolarHBondContact O-N 3.13Å; A548-L552 WeakPolarHBondContact O-CG 3.49Å; A548-L552 PolarHBondContact O-N 2.87Å
549	E	43.4	Very low	51.4	Low	131 Å²	131	98.9 Å²	98.9	61%	0.612	61%	0.611	S	S	*	*	H	α-helix	trans	-65.5	-36.9	171.3	-85.2	-176.3	152	0	0	112.4	F545	F545-E549 PolarHBondContact O-N 2.99Å
550	K	46	Very low	49.6	Very low	161 Å²	161	102.5 Å²	102.5	70%	0.7	62%	0.623	S	S	*	*	H	α-helix	trans	-73.8	-29.9	174.6	-70.3	177.6	-177.5	170.1	0	112.8	T546 D547	T546-K550 PolarHBondContact O-N 3.21Å; D547-K550 PolarHBondContact O-N 3.36Å
551	S	44.3	Very low	48.1	Very low	103 Å²	103	103.2 Å²	103.2	72%	0.72	63%	0.631	S	S	*	*	H	α-helix	trans	-81	-14.6	-180	-175.9	0	0	0	0	114.5	D547 A548	D547-S551 WeakPolarHBondContact O-CB 3.48Å; D547-S551 PolarHBondContact O-N 3.11Å; A548-S551 PolarHBondContact O-N 3.13Å
552	L	43.9	Very low	47.1	Very low	133 Å²	133	105.1 Å²	105.1	70%	0.696	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	3.2	179.1	-76.1	165.8	0	0	0	113.9	A548 P554	A548-L552 WeakPolarHBondContact O-CG 3.49Å; A548-L552 PolarHBondContact O-N 2.87Å; L552-P554 WeakPolarHBondContact O-CD 3.47Å
553	S	39.1	Very low	46.9	Very low	82 Å²	82	106.5 Å²	106.5	57%	0.573	64%	0.643	S	S	*	*			trans	-100.2	97.3	178.2	-58.5	0	0	0	0	111.3
554	P	42.6	Very low	47.6	Very low	86 Å²	86	104.7 Å²	104.7	56%	0.558	64%	0.638	S	S	*	*			trans	-68.3	139	159	28.1	-29.4	0	0	0	108.9	L552 G556	L552-P554 WeakPolarHBondContact O-CD 3.47Å; P554-G556 PolarHBondContact O-N 3.48Å
555	P	45.2	Very low	49.1	Very low	141 Å²	141	104.9 Å²	104.9	92%	0.916	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	90.1	178	30.1	-30.5	0	0	0	108.5
556	G	46.5	Very low	50.7	Low	80 Å²	80	100.5 Å²	100.5	83%	0.825	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	163.3	5.3	173.8	0	0	0	0	0	120.7	P554	P554-G556 PolarHBondContact O-N 3.48Å
557	S	41.3	Very low	52.6	Low	75 Å²	75	101.3 Å²	101.3	52%	0.524	63%	0.628	S	S	.	*			trans	-118	105.8	174.5	57.5	0	0	0	0	112
558	A	47.9	Very low	54.8	Low	110 Å²	110	100 Å²	100	91%	0.909	62%	0.62	S	S	*	*	S	Bend	trans	-59.5	130.5	163.4	0	0	0	0	0	110
559	G	46.2	Very low	57.2	Low	72 Å²	72	101.4 Å²	101.4	74%	0.742	63%	0.626	S	S	*	*			trans	92.3	44	164.4	0	0	0	0	0	117.1	D561	G559-D561 PolarHBondContact O-N 3.41Å
560	Q	49.1	Very low	59.5	Low	139 Å²	139	99.1 Å²	99.1	65%	0.65	62%	0.617	S	S	*	*			trans	-88	91.6	162.4	-148.5	168.8	20.1	0	0	108.8	F562	Q560-F562 PolarHBondContact O-N 3.31Å
561	D	49.4	Very low	61.7	Low	131 Å²	131	97.5 Å²	97.5	70%	0.701	61%	0.612	S	S	*	*			trans	-59.3	116.2	174.2	-77.5	-27.6	0	0	0	109.6	G559 N563	G559-D561 PolarHBondContact O-N 3.41Å; D561-N563 HydrophobicContact CB-CB 4.42Å; D561-N563 PolarHBondContact O-N 3.49Å
562	F	50.3	Low	64.1	Low	187 Å²	187	96.3 Å²	96.3	82%	0.82	60%	0.597	S	S	*	*			trans	-70.8	43.6	169.8	-71.7	-85.6	0	0	0	112.1	Q560 G564	Q560-F562 PolarHBondContact O-N 3.31Å; F562-G564 PolarHBondContact O-N 3.16Å; F562-G564 VanDerWaalsContact O-N 3.16Å
563	N	57	Low	66.4	Low	93 Å²	93	90.4 Å²	90.4	50%	0.497	57%	0.566	S	S	.	*			trans	-78.8	17.4	175.1	-87.2	-23.5	0	0	0	113.1	D561 L565 S566 S567	D561-N563 HydrophobicContact CB-CB 4.42Å; D561-N563 PolarHBondContact O-N 3.49Å; N563-L565 PolarHBondContact O-N 2.74Å; N563-S566 PolarHBondContact O-N 2.81Å; N563-S567 VanDerWaalsContact O-CB 3.24Å; N563-S567 WeakPolarHBondContact O-CB 3.36Å; N563-S567 PolarHBondContact O-N 2.82Å; N563-S567 PolarHBondContact O-OG 3.24Å
564	G	71.5	Confident	69	Low	46 Å²	46	89.4 Å²	89.4	47%	0.474	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-53.3	-51.8	-176.6	0	0	0	0	0	112.8	F562 S567	F562-G564 PolarHBondContact O-N 3.16Å; F562-G564 VanDerWaalsContact O-N 3.16Å; G564-S567 PolarHBondContact O-N 2.57Å; G564-S567 PolarHBondContact O-OG 3.46Å
565	L	83.2	Confident	71.4	Confident	81 Å²	81	90.5 Å²	90.5	42%	0.424	55%	0.55	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-48.1	179.2	-170.4	70.1	0	0	0	111.8	N563 S567 L568 L573 I576 M595	N563-L565 PolarHBondContact O-N 2.74Å; L565-S567 PolarHBondContact O-N 3.45Å; L565-L568 HydrophobicContact CD1-CD1 3.98Å; L565-L568 WeakPolarHBondContact O-CB 3.48Å; L565-L568 WeakPolarHBondContact O-CG 3.42Å; L565-L568 PolarHBondContact O-N 2.87Å; L565-L573 HydrophobicContact CD1-CD2 4.1Å; L565-L573 HydrophobicContact CG-CD2 4.07Å; L565-L573 WeakPolarHBondContact O-CD2 3.22Å; L565-I576 HydrophobicContact CD1-CD1 4.29Å; L565-M595 HydrophobicContact CD2-CE 3.92Å; L565-M595 HydrophobicContact CG-CE 3.91Å
566	S	84.9	Confident	73.7	Confident	51 Å²	51	87 Å²	87	36%	0.357	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-18.4	-178.2	-57.6	0	0	0	0	114	N563	N563-S566 PolarHBondContact O-N 2.81Å
567	S	86	Confident	76	Confident	89 Å²	89	83.2 Å²	83.2	62%	0.622	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-10.2	176.9	72.9	0	0	0	0	114	N563 G564 L565	N563-S567 VanDerWaalsContact O-CB 3.24Å; N563-S567 WeakPolarHBondContact O-CB 3.36Å; N563-S567 PolarHBondContact O-N 2.82Å; N563-S567 PolarHBondContact O-OG 3.24Å; G564-S567 PolarHBondContact O-N 2.57Å; G564-S567 PolarHBondContact O-OG 3.46Å; L565-S567 PolarHBondContact O-N 3.45Å
568	L	90.4	Very high	78.4	Confident	64 Å²	64	80.6 Å²	80.6	34%	0.335	47%	0.469	S	S	.	.	S	Bend	trans	-69.2	148.3	178.8	-62.9	177.3	0	0	0	111.1	L565 I572 L573 I576	L565-L568 HydrophobicContact CD1-CD1 3.98Å; L565-L568 WeakPolarHBondContact O-CB 3.48Å; L565-L568 WeakPolarHBondContact O-CG 3.42Å; L565-L568 PolarHBondContact O-N 2.87Å; L568-I572 HydrophobicContact CB-CB 4.41Å; L568-I572 HydrophobicContact CB-CG2 4.38Å; L568-I572 HydrophobicContact CD1-CG2 4.02Å; L568-L573 HydrophobicContact CB-CD2 4.18Å; L568-L573 HydrophobicContact CB-CG 4.12Å; L568-L573 HydrophobicContact CD1-CD2 4.4Å; L568-I576 HydrophobicContact CD1-CD1 3.95Å
569	P	93.1	Very high	80.5	Confident	74 Å²	74	83.5 Å²	83.5	48%	0.481	46%	0.457	S	S	.	.			trans	-55.5	149.3	171.7	-24.2	33.7	0	0	0	112.2	E571 I572 L573	P569-E571 PolarHBondContact O-N 2.81Å; P569-I572 HydrophobicContact CB-CG1 4.27Å; P569-I572 HydrophobicContact CG-CG1 4.33Å; P569-I572 WeakPolarHBondContact O-CB 3.44Å; P569-I572 PolarHBondContact O-N 3.23Å; P569-L573 PolarHBondContact O-N 3.07Å; P569-L573 VanDerWaalsContact O-N 3.08Å
570	L	90.8	Very high	82.7	Confident	83 Å²	83	82.2 Å²	82.2	44%	0.435	43%	0.433	S	S	.	.	H	α-helix	trans	-55.3	-39.5	-177.3	177.4	62.4	0	0	0	112	I572 L573 Q574 V598	L570-I572 VanDerWaalsContact C-N 3.29Å; L570-I572 PolarHBondContact O-N 3.43Å; L570-L573 WeakPolarHBondContact O-CB 3.45Å; L570-L573 PolarHBondContact O-N 3.17Å; L570-Q574 HydrophobicContact CD1-CG 4.09Å; L570-Q574 HydrophobicContact CG-CG 4.28Å; L570-Q574 WeakPolarHBondContact O-CB 3.35Å; L570-Q574 VanDerWaalsContact O-CG 3.32Å; L570-Q574 WeakPolarHBondContact O-CG 3.38Å; L570-Q574 PolarHBondContact O-N 3.36Å; L570-V598 HydrophobicContact CD1-CG2 3.84Å
571	E	93	Very high	84.8	Confident	127 Å²	127	76.7 Å²	76.7	59%	0.593	41%	0.408	S	S	*	.	H	α-helix	trans	-62.8	-38.3	-179.2	-60.9	74.3	-164.3	0	0	111.3	P569 H575	P569-E571 PolarHBondContact O-N 2.81Å; E571-H575 VanDerWaalsContact O-CB 3.24Å; E571-H575 WeakPolarHBondContact O-CB 3.14Å; E571-H575 PolarHBondContact O-N 2.59Å
572	I	93.7	Very high	86.8	Confident	79 Å²	79	71 Å²	71	41%	0.405	38%	0.378	S	S	.	.	H	α-helix	trans	-70.4	-42.5	176.9	-56.9	-58.8	0	0	0	110	L568 P569 L570 Q574 H575 I576	L568-I572 HydrophobicContact CB-CB 4.41Å; L568-I572 HydrophobicContact CB-CG2 4.38Å; L568-I572 HydrophobicContact CD1-CG2 4.02Å; P569-I572 HydrophobicContact CB-CG1 4.27Å; P569-I572 HydrophobicContact CG-CG1 4.33Å; P569-I572 WeakPolarHBondContact O-CB 3.44Å; P569-I572 PolarHBondContact O-N 3.23Å; L570-I572 VanDerWaalsContact C-N 3.29Å; L570-I572 PolarHBondContact O-N 3.43Å; I572-Q574 PolarHBondContact O-N 3.13Å; I572-H575 PolarHBondContact O-N 2.87Å; I572-I576 HydrophobicContact CG2-CD1 3.89Å; I572-I576 HydrophobicContact CG2-CG1 4.43Å; I572-I576 VanDerWaalsContact O-CG1 3.26Å; I572-I576 WeakPolarHBondContact O-CG1 3.26Å; I572-I576 PolarHBondContact O-N 2.68Å
573	L	93.4	Very high	88.8	Confident	8 Å²	8	63.3 Å²	63.3	4%	0.042	35%	0.345	C	S	.	.	H	α-helix	trans	-61.5	-43.9	175.7	-71.2	177.1	0	0	0	112.3	L565 L568 P569 L570 H575 I576 A577 L594 M595 V598	L565-L573 HydrophobicContact CD1-CD2 4.1Å; L565-L573 HydrophobicContact CG-CD2 4.07Å; L565-L573 WeakPolarHBondContact O-CD2 3.22Å; L568-L573 HydrophobicContact CB-CD2 4.18Å; L568-L573 HydrophobicContact CB-CG 4.12Å; L568-L573 HydrophobicContact CD1-CD2 4.4Å; P569-L573 PolarHBondContact O-N 3.07Å; P569-L573 VanDerWaalsContact O-N 3.08Å; L570-L573 WeakPolarHBondContact O-CB 3.45Å; L570-L573 PolarHBondContact O-N 3.17Å; L573-H575 VanDerWaalsContact C-N 3.34Å; L573-I576 PolarHBondContact O-N 2.98Å; L573-A577 VanDerWaalsContact O-CB 3.29Å; L573-A577 WeakPolarHBondContact O-CB 3.41Å; L573-A577 PolarHBondContact O-N 3.23Å; L573-L594 HydrophobicContact CD1-CD2 4.09Å; L573-L594 HydrophobicContact CD1-CG 4.42Å; L573-M595 HydrophobicContact CD1-CE 4.26Å; L573-M595 HydrophobicContact CD2-CE 3.87Å; L573-M595 HydrophobicContact CD2-SD 4.4Å; L573-V598 HydrophobicContact CB-CG1 4.13Å; L573-V598 HydrophobicContact CB-CG2 3.99Å; L573-V598 HydrophobicContact CD1-CG2 4.19Å
574	Q	92.8	Very high	90.5	Very high	61 Å²	61	61.4 Å²	61.4	29%	0.285	34%	0.336	S	S	.	.	H	α-helix	trans	-64.6	-39.9	175.5	-74	179	-41.3	0	0	111.7	L570 I572 A577 G578 V598 T601	L570-Q574 HydrophobicContact CD1-CG 4.09Å; L570-Q574 HydrophobicContact CG-CG 4.28Å; L570-Q574 WeakPolarHBondContact O-CB 3.35Å; L570-Q574 VanDerWaalsContact O-CG 3.32Å; L570-Q574 WeakPolarHBondContact O-CG 3.38Å; L570-Q574 PolarHBondContact O-N 3.36Å; I572-Q574 PolarHBondContact O-N 3.13Å; Q574-A577 PolarHBondContact O-N 2.7Å; Q574-G578 PolarHBondContact O-N 3.04Å; Q574-V598 HydrophobicContact CG-CG1 4.25Å; Q574-T601 PolarHBondContact NE2-OG1 3.22Å
575	H	93.8	Very high	91.6	Very high	110 Å²	110	59.2 Å²	59.2	51%	0.509	31%	0.314	S	S	.	.	H	α-helix	trans	-63.6	-46.5	176.2	-172.8	58.1	0	0	0	111.6	E571 I572 L573 G578 Y579	E571-H575 VanDerWaalsContact O-CB 3.24Å; E571-H575 WeakPolarHBondContact O-CB 3.14Å; E571-H575 PolarHBondContact O-N 2.59Å; I572-H575 PolarHBondContact O-N 2.87Å; L573-H575 VanDerWaalsContact C-N 3.34Å; H575-G578 PolarHBondContact O-N 3.28Å; H575-G578 VanDerWaalsContact O-N 3.16Å; H575-Y579 AromaticContact CD2-CE2 3.87Å; H575-Y579 AromaticContact CE1-CE2 3.53Å; H575-Y579 AromaticContact CE1-CZ 3.74Å; H575-Y579 PolarHBondContact CE1-OH 2.98Å; H575-Y579 AromaticContact ND1-CE2 3.96Å; H575-Y579 AromaticContact NE2-CE2 3.48Å; H575-Y579 WeakPolarHBondContact NE2-CE2 3.2Å; H575-Y579 AromaticContact NE2-CZ 3.9Å; H575-Y579 PolarHBondContact NE2-OH 3.33Å; H575-Y579 WeakPolarHBondContact O-CD2 3.46Å; H575-Y579 WeakPolarHBondContact O-CE2 3.38Å
576	I	93.4	Very high	92.1	Very high	67 Å²	67	56.8 Å²	56.8	34%	0.344	30%	0.304	S	S	.	.	H	α-helix	trans	-59.9	-49.8	174.7	-67.7	166.1	0	0	0	110.4	L565 L568 I572 L573 G578 Y579	L565-I576 HydrophobicContact CD1-CD1 4.29Å; L568-I576 HydrophobicContact CD1-CD1 3.95Å; I572-I576 HydrophobicContact CG2-CD1 3.89Å; I572-I576 HydrophobicContact CG2-CG1 4.43Å; I572-I576 VanDerWaalsContact O-CG1 3.26Å; I572-I576 WeakPolarHBondContact O-CG1 3.26Å; I572-I576 PolarHBondContact O-N 2.68Å; L573-I576 PolarHBondContact O-N 2.98Å; I576-G578 PolarHBondContact O-N 2.99Å; I576-Y579 PolarHBondContact O-N 3.48Å
577	A	93.8	Very high	92.4	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.008	30%	0.3	C	S	.	.	H	α-helix	trans	-59.2	-31.6	177.5	0	0	0	0	0	112	L573 Q574 Y579 L580 L585 V598 L602	L573-A577 VanDerWaalsContact O-CB 3.29Å; L573-A577 WeakPolarHBondContact O-CB 3.41Å; L573-A577 PolarHBondContact O-N 3.23Å; Q574-A577 PolarHBondContact O-N 2.7Å; A577-Y579 PolarHBondContact O-N 3.43Å; A577-L580 WeakPolarHBondContact O-CB 3.5Å; A577-L580 PolarHBondContact O-N 2.9Å; A577-L585 HydrophobicContact CB-CD2 3.97Å; A577-L585 WeakPolarHBondContact O-CD2 3.47Å; A577-V598 HydrophobicContact CB-CG1 3.9Å; A577-L602 HydrophobicContact CB-CD1 3.68Å
578	G	93	Very high	92.7	Very high	20 Å²	20	54.4 Å²	54.4	21%	0.206	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.3	173.5	0	0	0	0	0	114.7	Q574 H575 I576 R606	Q574-G578 PolarHBondContact O-N 3.04Å; H575-G578 PolarHBondContact O-N 3.28Å; H575-G578 VanDerWaalsContact O-N 3.16Å; I576-G578 PolarHBondContact O-N 2.99Å; G578-R606 PolarHBondContact O-NH1 3.14Å; G578-R606 PolarHBondContact O-NH2 2.61Å
579	Y	91.8	Very high	92.9	Very high	170 Å²	170	52.6 Å²	52.6	67%	0.667	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-10.4	174.3	-66.9	-74.3	0	0	0	113.9	H575 I576 A577	H575-Y579 AromaticContact CD2-CE2 3.87Å; H575-Y579 AromaticContact CE1-CE2 3.53Å; H575-Y579 AromaticContact CE1-CZ 3.74Å; H575-Y579 PolarHBondContact CE1-OH 2.98Å; H575-Y579 AromaticContact ND1-CE2 3.96Å; H575-Y579 AromaticContact NE2-CE2 3.48Å; H575-Y579 WeakPolarHBondContact NE2-CE2 3.2Å; H575-Y579 AromaticContact NE2-CZ 3.9Å; H575-Y579 PolarHBondContact NE2-OH 3.33Å; H575-Y579 WeakPolarHBondContact O-CD2 3.46Å; H575-Y579 WeakPolarHBondContact O-CE2 3.38Å; I576-Y579 PolarHBondContact O-N 3.48Å; A577-Y579 PolarHBondContact O-N 3.43Å
580	L	92.9	Very high	92.8	Very high	46 Å²	46	55.1 Å²	55.1	24%	0.241	28%	0.276	C	S	.	.	S	Bend	trans	-83.6	146	-177.4	-56.7	179.5	0	0	0	111.3	A577 T584 L585 L588 R606	A577-L580 WeakPolarHBondContact O-CB 3.5Å; A577-L580 PolarHBondContact O-N 2.9Å; L580-T584 HydrophobicContact CB-CG2 4.39Å; L580-T584 HydrophobicContact CD1-CG2 4.17Å; L580-T584 HydrophobicContact CD2-CG2 4.06Å; L580-T584 HydrophobicContact CG-CG2 4.43Å; L580-L585 HydrophobicContact CB-CD2 3.95Å; L580-L585 HydrophobicContact CB-CG 3.87Å; L580-L585 HydrophobicContact CD1-CD2 4.26Å; L580-L588 HydrophobicContact CD1-CD2 3.54Å; L580-R606 PolarHBondContact O-NH1 2.77Å
581	D	92	Very high	92.8	Very high	22 Å²	22	56.6 Å²	56.6	12%	0.118	29%	0.288	C	S	.	.			trans	-75.8	166.5	172.8	57.7	17.1	0	0	0	112.5	F583 T584 L585 F638 S639	D581-F583 VanDerWaalsContact C-N 3.26Å; D581-F583 PolarHBondContact O-N 3.19Å; D581-T584 PolarHBondContact O-N 3.44Å; D581-T584 WeakPolarHBondContact OD1-CA 3.44Å; D581-T584 WeakPolarHBondContact OD1-CB 3.47Å; D581-T584 PolarHBondContact OD1-N 2.83Å; D581-T584 PolarHBondContact OD1-OG1 2.93Å; D581-L585 WeakPolarHBondContact O-CB 3.2Å; D581-L585 WeakPolarHBondContact O-CG 3Å; D581-L585 PolarHBondContact O-N 2.97Å; D581-F638 VanDerWaalsContact OD2-CA 3.25Å; D581-F638 WeakPolarHBondContact OD2-CA 3.06Å; D581-S639 WeakPolarHBondContact CB-OG 3.47Å; D581-S639 PolarHBondContact OD2-N 2.94Å; D581-S639 PolarHBondContact OD2-OG 2.9Å
582	S	92.8	Very high	92.8	Very high	12 Å²	12	52.2 Å²	52.2	8%	0.084	27%	0.272	C	S	.	.	H	α-helix	trans	-55.7	-42.5	-177.8	-63.7	0	0	0	0	111.6	E479 S586 F634 S635	E479-S582 PolarHBondContact OE1-OG 3.27Å; S582-S586 PolarHBondContact O-N 2.83Å; S582-F634 WeakPolarHBondContact O-CB 3.48Å; S582-S635 CarbonylContact C-O 3.56Å; S582-S635 VanDerWaalsContact CB-OG 3.29Å; S582-S635 WeakPolarHBondContact CB-OG 3.39Å
583	F	92.2	Very high	92.7	Very high	25 Å²	25	58.2 Å²	58.2	11%	0.11	29%	0.289	C	S	.	.	H	α-helix	trans	-60.6	-52.1	175.4	177.3	-96.6	0	0	0	112.3	V532 A534 V536 D581 L585 S586 Q587 S635 L637	V532-F583 HydrophobicContact CB-CE2 3.99Å; V532-F583 HydrophobicContact CB-CZ 4.46Å; V532-F583 HydrophobicContact CG1-CE2 4.24Å; V532-F583 HydrophobicContact CG1-CZ 4.48Å; V532-F583 HydrophobicContact CG2-CE2 3.64Å; V532-F583 HydrophobicContact CG2-CZ 3.79Å; A534-F583 HydrophobicContact CB-CD2 4.36Å; A534-F583 HydrophobicContact CB-CE2 4.18Å; V536-F583 HydrophobicContact CB-CE1 4.25Å; V536-F583 HydrophobicContact CG1-CD1 3.75Å; V536-F583 HydrophobicContact CG1-CD2 4.47Å; V536-F583 HydrophobicContact CG1-CE1 3.31Å; V536-F583 HydrophobicContact CG1-CE2 4.1Å; V536-F583 HydrophobicContact CG1-CG 4.32Å; V536-F583 HydrophobicContact CG1-CZ 3.52Å; D581-F583 VanDerWaalsContact C-N 3.26Å; D581-F583 PolarHBondContact O-N 3.19Å; F583-L585 VanDerWaalsContact C-N 3.35Å; F583-L585 PolarHBondContact O-N 3.07Å; F583-S586 WeakPolarHBondContact O-CB 3.49Å; F583-S586 PolarHBondContact O-N 3.47Å; F583-S586 VanDerWaalsContact O-N 3.13Å; F583-Q587 HydrophobicContact CD1-CG 4.37Å; F583-Q587 HydrophobicContact CE1-CG 3.75Å; F583-Q587 HydrophobicContact CE2-CG 4.21Å; F583-Q587 HydrophobicContact CZ-CG 3.66Å; F583-Q587 PolarHBondContact O-N 3.3Å; F583-Q587 VanDerWaalsContact O-N 3.12Å; F583-S635 PolarHBondContact N-O 3.18Å; F583-L637 WeakPolarHBondContact CB-O 3.28Å; F583-L637 PolarHBondContact N-O 2.78Å
584	T	93.1	Very high	92.6	Very high	53 Å²	53	60.9 Å²	60.9	33%	0.325	30%	0.303	S	S	.	.	H	α-helix	trans	-67.4	-36.3	-176.8	-55.9	0	0	0	0	111.5	L580 D581 S586 Q587 L588	L580-T584 HydrophobicContact CB-CG2 4.39Å; L580-T584 HydrophobicContact CD1-CG2 4.17Å; L580-T584 HydrophobicContact CD2-CG2 4.06Å; L580-T584 HydrophobicContact CG-CG2 4.43Å; D581-T584 PolarHBondContact O-N 3.44Å; D581-T584 WeakPolarHBondContact OD1-CA 3.44Å; D581-T584 WeakPolarHBondContact OD1-CB 3.47Å; D581-T584 PolarHBondContact OD1-N 2.83Å; D581-T584 PolarHBondContact OD1-OG1 2.93Å; T584-S586 VanDerWaalsContact C-N 3.29Å; T584-S586 PolarHBondContact O-N 2.96Å; T584-Q587 PolarHBondContact O-N 2.83Å; T584-L588 VanDerWaalsContact O-CB 3.29Å; T584-L588 WeakPolarHBondContact O-CB 3.35Å; T584-L588 PolarHBondContact O-N 3.33Å
585	L	94.5	Very high	92.7	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-59.7	-40.3	171.8	-74.8	172.9	0	0	0	112.2	A577 L580 D581 F583 S589 C599 L602 F634	A577-L585 HydrophobicContact CB-CD2 3.97Å; A577-L585 WeakPolarHBondContact O-CD2 3.47Å; L580-L585 HydrophobicContact CB-CD2 3.95Å; L580-L585 HydrophobicContact CB-CG 3.87Å; L580-L585 HydrophobicContact CD1-CD2 4.26Å; D581-L585 WeakPolarHBondContact O-CB 3.2Å; D581-L585 WeakPolarHBondContact O-CG 3Å; D581-L585 PolarHBondContact O-N 2.97Å; F583-L585 VanDerWaalsContact C-N 3.35Å; F583-L585 PolarHBondContact O-N 3.07Å; L585-S589 WeakPolarHBondContact O-CB 3.41Å; L585-S589 PolarHBondContact O-N 2.81Å; L585-C599 PolarHBondContact O-SG 2.92Å; L585-L602 HydrophobicContact CD1-CD1 4.31Å; L585-L602 HydrophobicContact CD2-CD1 4.06Å; L585-F634 HydrophobicContact CB-CD1 4.21Å; L585-F634 HydrophobicContact CB-CD2 4.01Å; L585-F634 HydrophobicContact CB-CE1 4.22Å; L585-F634 HydrophobicContact CB-CE2 4.03Å; L585-F634 HydrophobicContact CB-CG 4.1Å; L585-F634 HydrophobicContact CB-CZ 4.13Å; L585-F634 HydrophobicContact CD1-CD1 4.23Å; L585-F634 HydrophobicContact CD1-CE1 3.87Å; L585-F634 HydrophobicContact CD1-CZ 4.27Å
586	S	92.2	Very high	92.7	Very high	30 Å²	30	59.4 Å²	59.4	21%	0.21	29%	0.291	C	S	.	.	H	α-helix	trans	-60.2	-46.1	174.8	-166.2	0	0	0	0	111.5	S582 F583 T584 S589 Q590	S582-S586 PolarHBondContact O-N 2.83Å; F583-S586 WeakPolarHBondContact O-CB 3.49Å; F583-S586 PolarHBondContact O-N 3.47Å; F583-S586 VanDerWaalsContact O-N 3.13Å; T584-S586 VanDerWaalsContact C-N 3.29Å; T584-S586 PolarHBondContact O-N 2.96Å; S586-S589 PolarHBondContact O-OG 3.09Å; S586-Q590 PolarHBondContact O-NE2 2.9Å
587	Q	92.2	Very high	92.7	Very high	58 Å²	58	62.4 Å²	62.4	27%	0.271	30%	0.303	S	S	.	.	H	α-helix	trans	-69.4	-44.5	178.7	-55.7	-43.9	-48	0	0	111.8	F583 T584 S589 Q590	F583-Q587 HydrophobicContact CD1-CG 4.37Å; F583-Q587 HydrophobicContact CE1-CG 3.75Å; F583-Q587 HydrophobicContact CE2-CG 4.21Å; F583-Q587 HydrophobicContact CZ-CG 3.66Å; F583-Q587 PolarHBondContact O-N 3.3Å; F583-Q587 VanDerWaalsContact O-N 3.12Å; T584-Q587 PolarHBondContact O-N 2.83Å; Q587-S589 PolarHBondContact O-N 3.27Å; Q587-Q590 WeakPolarHBondContact O-CB 3.09Å; Q587-Q590 PolarHBondContact O-N 3.16Å
588	L	92.7	Very high	92.7	Very high	33 Å²	33	62.5 Å²	62.5	17%	0.173	30%	0.304	C	S	.	.	H	α-helix	trans	-58.4	-37.4	178.6	-178.8	61.9	0	0	0	111.9	L580 T584 Q590 V591 M595	L580-L588 HydrophobicContact CD1-CD2 3.54Å; T584-L588 VanDerWaalsContact O-CB 3.29Å; T584-L588 WeakPolarHBondContact O-CB 3.35Å; T584-L588 PolarHBondContact O-N 3.33Å; L588-Q590 PolarHBondContact O-N 3.09Å; L588-Q590 VanDerWaalsContact O-N 3.16Å; L588-V591 WeakPolarHBondContact O-CB 3.34Å; L588-V591 PolarHBondContact O-N 3.06Å; L588-V591 VanDerWaalsContact O-N 3.14Å; L588-M595 HydrophobicContact CD1-CB 4.1Å; L588-M595 HydrophobicContact CD1-CG 3.9Å; L588-M595 HydrophobicContact CD1-SD 4.16Å; L588-M595 HydrophobicContact CG-CB 4.07Å; L588-M595 HydrophobicContact CG-CG 4.36Å; L588-M595 WeakPolarHBondContact O-CB 3.4Å
589	S	93.2	Very high	92.8	Very high	26 Å²	26	61.5 Å²	61.5	18%	0.182	29%	0.294	C	S	.	.	H	α-helix	trans	-63.2	-20.2	177.8	80.2	0	0	0	0	113.9	L585 S586 Q587 R596	L585-S589 WeakPolarHBondContact O-CB 3.41Å; L585-S589 PolarHBondContact O-N 2.81Å; S586-S589 PolarHBondContact O-OG 3.09Å; Q587-S589 PolarHBondContact O-N 3.27Å; S589-R596 WeakPolarHBondContact O-CB 3.33Å
590	Q	91.6	Very high	92.9	Very high	127 Å²	127	55.9 Å²	55.9	59%	0.593	28%	0.283	S	S	*	.	H	α-helix	trans	-88.9	-16.1	179.8	-63.4	175.3	62	0	0	112.6	S586 Q587 L588	S586-Q590 PolarHBondContact O-NE2 2.9Å; Q587-Q590 WeakPolarHBondContact O-CB 3.09Å; Q587-Q590 PolarHBondContact O-N 3.16Å; L588-Q590 PolarHBondContact O-N 3.09Å; L588-Q590 VanDerWaalsContact O-N 3.16Å
591	V	91.1	Very high	92.9	Very high	113 Å²	113	56.9 Å²	56.9	69%	0.685	29%	0.291	S	S	*	.	H	α-helix	trans	-71.6	-40.1	-173.7	-179.4	0	0	0	0	112.5	L588	L588-V591 WeakPolarHBondContact O-CB 3.34Å; L588-V591 PolarHBondContact O-N 3.06Å; L588-V591 VanDerWaalsContact O-N 3.14Å
592	S	92.1	Very high	93	Very high	35 Å²	35	57.1 Å²	57.1	25%	0.245	29%	0.291	C	S	.	.			trans	-154.6	171.7	179.7	80.4	0	0	0	0	112.7	L594 M595 R596	S592-L594 PolarHBondContact OG-N 2.99Å; S592-M595 WeakPolarHBondContact OG-CG 3.42Å; S592-M595 PolarHBondContact OG-N 3.48Å; S592-M595 VanDerWaalsContact OG-N 3.11Å; S592-R596 WeakPolarHBondContact O-CB 3.48Å; S592-R596 PolarHBondContact O-N 3.32Å
593	R	92.1	Very high	92.9	Very high	205 Å²	205	58 Å²	58	77%	0.774	30%	0.295	S	S	*	.	H	α-helix	trans	-67.3	-43.4	173.1	-68.8	-175.6	-177.2	169.6	1.7	111.7	R596 E597	R593-R596 WeakPolarHBondContact O-CB 3.1Å; R593-R596 PolarHBondContact O-N 3.42Å; R593-E597 PolarHBondContact O-N 3.02Å; R593-E597 VanDerWaalsContact O-N 3.1Å
594	L	92.6	Very high	92.7	Very high	64 Å²	64	62.1 Å²	62.1	34%	0.335	32%	0.315	S	S	.	.	H	α-helix	trans	-58.5	-50.6	177.8	177.6	64.5	0	0	0	111.3	L573 S592 R596 E597 V598	L573-L594 HydrophobicContact CD1-CD2 4.09Å; L573-L594 HydrophobicContact CD1-CG 4.42Å; S592-L594 PolarHBondContact OG-N 2.99Å; L594-R596 VanDerWaalsContact C-N 3.26Å; L594-R596 PolarHBondContact O-N 3.43Å; L594-E597 PolarHBondContact O-N 3.01Å; L594-E597 VanDerWaalsContact O-N 3.1Å; L594-V598 WeakPolarHBondContact O-CG2 3.29Å; L594-V598 PolarHBondContact O-N 3.11Å
595	M	93.8	Very high	92.4	Very high	6 Å²	6	64.7 Å²	64.7	3%	0.03	33%	0.327	C	S	.	.	H	α-helix	trans	-65.6	-31.5	-178.6	-65.8	-55.3	156.2	0	0	112.4	L565 L573 L588 S592 V598 C599	L565-M595 HydrophobicContact CD2-CE 3.92Å; L565-M595 HydrophobicContact CG-CE 3.91Å; L573-M595 HydrophobicContact CD1-CE 4.26Å; L573-M595 HydrophobicContact CD2-CE 3.87Å; L573-M595 HydrophobicContact CD2-SD 4.4Å; L588-M595 HydrophobicContact CD1-CB 4.1Å; L588-M595 HydrophobicContact CD1-CG 3.9Å; L588-M595 HydrophobicContact CD1-SD 4.16Å; L588-M595 HydrophobicContact CG-CB 4.07Å; L588-M595 HydrophobicContact CG-CG 4.36Å; L588-M595 WeakPolarHBondContact O-CB 3.4Å; S592-M595 WeakPolarHBondContact OG-CG 3.42Å; S592-M595 PolarHBondContact OG-N 3.48Å; S592-M595 VanDerWaalsContact OG-N 3.11Å; M595-V598 PolarHBondContact O-N 2.99Å; M595-C599 WeakPolarHBondContact O-CB 3.16Å; M595-C599 PolarHBondContact O-N 2.92Å; M595-C599 PolarHBondContact O-SG 3.46Å
596	R	94	Very high	92.3	Very high	135 Å²	135	69 Å²	69	51%	0.509	34%	0.343	S	S	.	.	H	α-helix	trans	-63.7	-42.2	172.3	-162.9	-172.7	-34.8	-138.4	-7.4	112.4	S589 S592 R593 L594 A600	S589-R596 WeakPolarHBondContact O-CB 3.33Å; S592-R596 WeakPolarHBondContact O-CB 3.48Å; S592-R596 PolarHBondContact O-N 3.32Å; R593-R596 WeakPolarHBondContact O-CB 3.1Å; R593-R596 PolarHBondContact O-N 3.42Å; L594-R596 VanDerWaalsContact C-N 3.26Å; L594-R596 PolarHBondContact O-N 3.43Å; R596-A600 VanDerWaalsContact O-CB 3.23Å; R596-A600 WeakPolarHBondContact O-CB 3.49Å; R596-A600 PolarHBondContact O-N 3.21Å
597	E	93.4	Very high	92.3	Very high	130 Å²	130	67.6 Å²	67.6	61%	0.607	33%	0.333	S	S	*	.	H	α-helix	trans	-67	-42.5	176.6	-70.8	174.8	-172.1	0	0	111.1	R593 L594 A600 T601	R593-E597 PolarHBondContact O-N 3.02Å; R593-E597 VanDerWaalsContact O-N 3.1Å; L594-E597 PolarHBondContact O-N 3.01Å; L594-E597 VanDerWaalsContact O-N 3.1Å; E597-A600 WeakPolarHBondContact O-CB 3.43Å; E597-A600 PolarHBondContact O-N 3.36Å; E597-T601 WeakPolarHBondContact O-CG2 3.45Å; E597-T601 PolarHBondContact O-N 3.27Å
598	V	94.4	Very high	92.4	Very high	2 Å²	2	64.9 Å²	64.9	1%	0.012	32%	0.321	C	S	.	.	H	α-helix	trans	-57.3	-53.8	173.1	175.3	0	0	0	0	110.5	L570 L573 Q574 A577 L594 M595 A600 T601	L570-V598 HydrophobicContact CD1-CG2 3.84Å; L573-V598 HydrophobicContact CB-CG1 4.13Å; L573-V598 HydrophobicContact CB-CG2 3.99Å; L573-V598 HydrophobicContact CD1-CG2 4.19Å; Q574-V598 HydrophobicContact CG-CG1 4.25Å; A577-V598 HydrophobicContact CB-CG1 3.9Å; L594-V598 WeakPolarHBondContact O-CG2 3.29Å; L594-V598 PolarHBondContact O-N 3.11Å; M595-V598 PolarHBondContact O-N 2.99Å; V598-A600 VanDerWaalsContact C-N 3.29Å; V598-A600 PolarHBondContact O-N 3.13Å; V598-T601 WeakPolarHBondContact O-CB 3.35Å; V598-T601 PolarHBondContact O-N 3.13Å; V598-T601 VanDerWaalsContact O-N 3.13Å; V598-T601 PolarHBondContact O-OG1 2.8Å
599	C	95.2	Very high	92.5	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-61.3	-36.9	177.6	-68.6	0	0	0	0	111.9	L585 M595 T601 L602 L603 F634	L585-C599 PolarHBondContact O-SG 2.92Å; M595-C599 WeakPolarHBondContact O-CB 3.16Å; M595-C599 PolarHBondContact O-N 2.92Å; M595-C599 PolarHBondContact O-SG 3.46Å; C599-T601 PolarHBondContact O-N 3.38Å; C599-L602 PolarHBondContact O-N 3.18Å; C599-L603 PolarHBondContact O-N 2.74Å; C599-F634 HydrophobicContact CB-CE2 3.99Å; C599-F634 HydrophobicContact CB-CZ 4.31Å; C599-F634 WeakPolarHBondContact O-CZ 3.23Å
600	A	93.2	Very high	92.3	Very high	52 Å²	52	63.4 Å²	63.4	43%	0.43	31%	0.313	S	S	.	.	H	α-helix	trans	-59.7	-28.8	178	0	0	0	0	0	112.6	R596 E597 V598 L602 L603	R596-A600 VanDerWaalsContact O-CB 3.23Å; R596-A600 WeakPolarHBondContact O-CB 3.49Å; R596-A600 PolarHBondContact O-N 3.21Å; E597-A600 WeakPolarHBondContact O-CB 3.43Å; E597-A600 PolarHBondContact O-N 3.36Å; V598-A600 VanDerWaalsContact C-N 3.29Å; V598-A600 PolarHBondContact O-N 3.13Å; A600-L602 PolarHBondContact O-N 3.26Å; A600-L603 VanDerWaalsContact O-CB 3.28Å; A600-L603 WeakPolarHBondContact O-CB 2.96Å; A600-L603 PolarHBondContact O-N 3.39Å
601	T	93.1	Very high	92.2	Very high	67 Å²	67	59.2 Å²	59.2	41%	0.411	29%	0.294	S	S	.	.	H	α-helix	trans	-65.8	-26.5	175	70.8	0	0	0	0	113.3	Q574 E597 V598 C599	Q574-T601 PolarHBondContact NE2-OG1 3.22Å; E597-T601 WeakPolarHBondContact O-CG2 3.45Å; E597-T601 PolarHBondContact O-N 3.27Å; V598-T601 WeakPolarHBondContact O-CB 3.35Å; V598-T601 PolarHBondContact O-N 3.13Å; V598-T601 VanDerWaalsContact O-N 3.13Å; V598-T601 PolarHBondContact O-OG1 2.8Å; C599-T601 PolarHBondContact O-N 3.38Å
602	L	92.9	Very high	92	Very high	26 Å²	26	56.5 Å²	56.5	14%	0.136	27%	0.274	C	S	.	.	H	α-helix	trans	-92.5	-5.6	177.9	-60.5	176.9	0	0	0	113.2	A577 L585 C599 A600 Q604 D605 R606	A577-L602 HydrophobicContact CB-CD1 3.68Å; L585-L602 HydrophobicContact CD1-CD1 4.31Å; L585-L602 HydrophobicContact CD2-CD1 4.06Å; C599-L602 PolarHBondContact O-N 3.18Å; A600-L602 PolarHBondContact O-N 3.26Å; L602-Q604 PolarHBondContact O-N 3.38Å; L602-D605 PolarHBondContact O-N 2.79Å; L602-R606 PolarHBondContact O-N 2.84Å
603	L	91.5	Very high	91.8	Very high	32 Å²	32	61.5 Å²	61.5	17%	0.168	29%	0.288	C	S	.	.	H	α-helix	trans	-70.4	-29.7	-169.8	-164.5	65.8	0	0	0	113.1	C599 A600 D605 G607 W632 F634	C599-L603 PolarHBondContact O-N 2.74Å; A600-L603 VanDerWaalsContact O-CB 3.28Å; A600-L603 WeakPolarHBondContact O-CB 2.96Å; A600-L603 PolarHBondContact O-N 3.39Å; L603-D605 VanDerWaalsContact C-N 3.35Å; L603-G607 WeakPolarHBondContact O-CA 3.44Å; L603-G607 PolarHBondContact O-N 2.95Å; L603-W632 HydrophobicContact CD1-CB 4.39Å; L603-W632 HydrophobicContact CD2-CB 3.35Å; L603-W632 HydrophobicContact CD2-CG 4.14Å; L603-W632 HydrophobicContact CG-CB 3.84Å; L603-W632 HydrophobicContact CG-CD2 4.49Å; L603-W632 HydrophobicContact CG-CE3 4.06Å; L603-W632 HydrophobicContact CG-CG 4.48Å; L603-W632 WeakPolarHBondContact O-CZ3 3.13Å; L603-F634 HydrophobicContact CB-CZ 4.25Å; L603-F634 HydrophobicContact CD1-CD1 4.21Å; L603-F634 HydrophobicContact CD1-CD2 3.95Å; L603-F634 HydrophobicContact CD1-CE1 3.89Å; L603-F634 HydrophobicContact CD1-CE2 3.61Å; L603-F634 HydrophobicContact CD1-CG 4.23Å; L603-F634 HydrophobicContact CD1-CZ 3.58Å
604	Q	87.3	Confident	91.5	Very high	110 Å²	110	55.2 Å²	55.2	51%	0.514	27%	0.266	S	S	.	.	H	α-helix	trans	-71.1	-33.2	175.5	-65	-175	12.6	0	0	112.2	L602	L602-Q604 PolarHBondContact O-N 3.38Å
605	D	88.3	Confident	91.4	Very high	108 Å²	108	55.3 Å²	55.3	58%	0.578	26%	0.264	S	S	*	.	H	α-helix	trans	-93.3	-28.6	-174	-67	-19.9	0	0	0	113.1	R476 L602 L603	R476-D605 PolarHBondContact NH1-O 3.35Å; L602-D605 PolarHBondContact O-N 2.79Å; L603-D605 VanDerWaalsContact C-N 3.35Å
606	R	90.8	Very high	91	Very high	90 Å²	90	60.3 Å²	60.3	34%	0.34	29%	0.285	S	S	.	.	H	α-helix	trans	-124.7	-14.6	-176.6	-63.4	-168.2	176.5	-174.2	2.6	114.5	G578 L580 L602 F634	G578-R606 PolarHBondContact O-NH1 3.14Å; G578-R606 PolarHBondContact O-NH2 2.61Å; L580-R606 PolarHBondContact O-NH1 2.77Å; L602-R606 PolarHBondContact O-N 2.84Å; R606-F634 HydrophobicContact CB-CD1 4.48Å; R606-F634 HydrophobicContact CB-CE1 4.14Å
607	G	92.9	Very high	90.7	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.01	29%	0.29	C	S	.	.			trans	-81.1	174.9	178.2	0	0	0	0	0	112.8	P89 L603	P89-G607 WeakPolarHBondContact CB-O 3.45Å; L603-G607 WeakPolarHBondContact O-CA 3.44Å; L603-G607 PolarHBondContact O-N 2.95Å
608	M	94.6	Very high	90.4	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	155.6	172.2	61.8	172.2	-179	0	0	111.3	P89 V92 S474 W632 R633	P89-M608 CarbonylContact O-C 3.56Å; P89-M608 VanDerWaalsContact O-CA 3.24Å; P89-M608 WeakPolarHBondContact O-CA 3.35Å; V92-M608 HydrophobicContact CG1-SD 4.01Å; V92-M608 HydrophobicContact CG2-CB 3.85Å; V92-M608 HydrophobicContact CG2-SD 4.39Å; S474-M608 VanDerWaalsContact O-CE 3.3Å; S474-M608 WeakPolarHBondContact O-CE 3.41Å; M608-W632 WeakPolarHBondContact O-CA 3.32Å; M608-R633 HydrophobicContact CE-CG 3.94Å; M608-R633 HydrophobicContact CG-CG 4.32Å; M608-R633 WeakPolarHBondContact CG-O 3.48Å; M608-R633 PolarHBondContact N-O 3.32Å; M608-R633 PolarHBondContact O-N 2.7Å
609	V	94.2	Very high	89.9	Confident	8 Å²	8	62 Å²	62	5%	0.048	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	121.5	176.7	-169.8	0	0	0	0	109.7	F70 P89 A90 V92 K630 W632	F70-V609 VanDerWaalsContact O-CG1 3.3Å; F70-V609 WeakPolarHBondContact O-CG1 3.49Å; P89-V609 HydrophobicContact CB-CG2 4.42Å; P89-V609 PolarHBondContact O-N 3.14Å; A90-V609 HydrophobicContact CB-CB 4.38Å; V92-V609 WeakPolarHBondContact CG2-O 3.37Å; V609-K630 HydrophobicContact CG1-CB 3.96Å; V609-W632 HydrophobicContact CG2-CD2 3.62Å; V609-W632 VanDerWaalsContact CG2-CE2 3.44Å; V609-W632 HydrophobicContact CG2-CE3 3.73Å; V609-W632 HydrophobicContact CG2-CG 4.37Å; V609-W632 HydrophobicContact CG2-CH2 3.58Å; V609-W632 HydrophobicContact CG2-CZ2 3.43Å; V609-W632 VanDerWaalsContact CG2-CZ2 3.43Å; V609-W632 HydrophobicContact CG2-CZ3 3.72Å
610	S	89.5	Confident	89.4	Confident	19 Å²	19	68.2 Å²	68.2	13%	0.133	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	146.2	174.2	57.5	0	0	0	0	111.2	I631 R633	S610-I631 PolarHBondContact N-O 3.43Å; S610-I631 PolarHBondContact O-N 2.88Å; S610-I631 PolarHBondContact OG-O 3.43Å; S610-R633 PolarHBondContact OG-NE 2.88Å
611	L	89.6	Confident	89.1	Confident	40 Å²	40	67.3 Å²	67.3	21%	0.209	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	123.2	177.8	-63.1	-178.6	0	0	0	110	F70 W613 K630	F70-L611 HydrophobicContact CD1-CD1 3.78Å; F70-L611 HydrophobicContact CE1-CD1 4.18Å; L611-W613 HydrophobicContact CD1-CZ2 4.05Å; L611-W613 PolarHBondContact O-N 3.02Å; L611-K630 HydrophobicContact CD2-CG 3.84Å
612	E	87.6	Confident	88.7	Confident	55 Å²	55	65.3 Å²	65.3	26%	0.257	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	106	170.7	-166.7	-169.6	-154.2	0	0	109.2	K614 S627 R628 K629 I631	E612-K614 VanDerWaalsContact CD-CE 3.43Å; E612-K614 WeakPolarHBondContact OE1-CE 3.4Å; E612-K614 IonicContact OE1-NZ 3.01Å; E612-K614 PolarHBondContact OE1-NZ 2.78Å; E612-K614 IonicContact OE2-NZ 3.77Å; E612-K614 PolarHBondContact OE2-NZ 2.67Å; E612-S627 WeakPolarHBondContact O-CA 3.45Å; E612-R628 PolarHBondContact O-N 3.12Å; E612-K629 HydrophobicContact CB-CB 4.29Å; E612-K629 PolarHBondContact N-O 2.9Å; E612-I631 HydrophobicContact CB-CD1 3.72Å; E612-I631 HydrophobicContact CB-CG1 4.26Å; E612-I631 HydrophobicContact CG-CD1 4.11Å
613	W	86.6	Confident	88.4	Confident	141 Å²	141	65.4 Å²	65.4	53%	0.534	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	129.6	175.9	-66.7	95.5	0	0	0	110.5	L611 W625	L611-W613 HydrophobicContact CD1-CZ2 4.05Å; L611-W613 PolarHBondContact O-N 3.02Å; W613-W625 HydrophobicContact CB-CE3 4.02Å; W613-W625 HydrophobicContact CB-CZ3 4.41Å; W613-W625 HydrophobicContact CE3-CB 4.11Å
614	K	87.3	Confident	88.3	Confident	72 Å²	72	65.1 Å²	65.1	31%	0.313	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	138.2	171.8	-72.3	-177	172.6	148.8	0	110.1	E612 K616 K626 R628	E612-K614 VanDerWaalsContact CD-CE 3.43Å; E612-K614 WeakPolarHBondContact OE1-CE 3.4Å; E612-K614 IonicContact OE1-NZ 3.01Å; E612-K614 PolarHBondContact OE1-NZ 2.78Å; E612-K614 IonicContact OE2-NZ 3.77Å; E612-K614 PolarHBondContact OE2-NZ 2.67Å; K614-K616 PolarHBondContact O-N 3.11Å; K614-K626 PolarHBondContact N-O 2.89Å; K614-K626 PolarHBondContact O-N 3.28Å; K614-R628 HydrophobicContact CD-CB 4.45Å
615	K	88.6	Confident	88.3	Confident	67 Å²	67	64.3 Å²	64.3	29%	0.291	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	115.2	172	-169.6	-179.9	174.2	-172.2	0	107.7	R187 A188 S623 W625	R187-K615 HydrophobicContact CG-CD 3.92Å; R187-K615 VanDerWaalsContact CG-NZ 3.26Å; A188-K615 PolarHBondContact O-NZ 3.25Å; K615-S623 WeakPolarHBondContact CE-OG 3.48Å; K615-W625 HydrophobicContact CB-CD2 4.33Å; K615-W625 HydrophobicContact CB-CE3 4.17Å; K615-W625 HydrophobicContact CB-CH2 4.12Å; K615-W625 HydrophobicContact CB-CZ2 4.25Å; K615-W625 HydrophobicContact CB-CZ3 4.09Å
616	K	86.5	Confident	88.1	Confident	111 Å²	111	64 Å²	64	48%	0.483	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	117.1	171.9	-174.6	176.2	-177.8	176	0	108.2	K614 Y618 S623 S624 K626	K614-K616 PolarHBondContact O-N 3.11Å; K616-Y618 HydrophobicContact CD-CE1 4.11Å; K616-S623 WeakPolarHBondContact O-CA 3.31Å; K616-S624 PolarHBondContact N-O 3.01Å; K616-S624 PolarHBondContact O-N 3.49Å; K616-K626 HydrophobicContact CD-CD 4.26Å
617	T	87.6	Confident	87.7	Confident	100 Å²	100	62.9 Å²	62.9	61%	0.613	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	136.5	167.8	48.3	0	0	0	0	108.9	G622	T617-G622 WeakPolarHBondContact CA-O 3.42Å
618	Y	85.9	Confident	86.9	Confident	66 Å²	66	71 Å²	71	26%	0.259	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-98.8	163	176.1	-63.1	-82.3	0	0	0	110.5	K616 H620 G621 G622 S624 K626	K616-Y618 HydrophobicContact CD-CE1 4.11Å; Y618-H620 WeakPolarHBondContact CB-CE1 3.5Å; Y618-H620 VanDerWaalsContact CB-ND1 3.34Å; Y618-H620 WeakPolarHBondContact CB-ND1 3.3Å; Y618-H620 AromaticContact CD2-CE1 3.8Å; Y618-H620 AromaticContact CG-CE1 3.53Å; Y618-H620 PolarHBondContact O-N 3.42Å; Y618-H620 VanDerWaalsContact O-N 3.08Å; Y618-G621 PolarHBondContact O-N 2.78Å; Y618-G622 WeakPolarHBondContact CD2-O 3.5Å; Y618-G622 PolarHBondContact N-O 3.31Å; Y618-S624 WeakPolarHBondContact CE2-OG 3.41Å; Y618-S624 PolarHBondContact OH-OG 3.27Å; Y618-K626 WeakPolarHBondContact OH-CE 3.18Å; Y618-K626 PolarHBondContact OH-NZ 3.44Å
619	S	84.5	Confident	86.5	Confident	137 Å²	137	76.6 Å²	76.6	96%	0.958	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-20.5	177.2	47.1	0	0	0	0	114.2
620	H	84.6	Confident	86.4	Confident	130 Å²	130	81.2 Å²	81.2	60%	0.602	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	14.1	177.5	63.3	-93.6	0	0	0	113.9	Y618 G622	Y618-H620 WeakPolarHBondContact CB-CE1 3.5Å; Y618-H620 VanDerWaalsContact CB-ND1 3.34Å; Y618-H620 WeakPolarHBondContact CB-ND1 3.3Å; Y618-H620 AromaticContact CD2-CE1 3.8Å; Y618-H620 AromaticContact CG-CE1 3.53Å; Y618-H620 PolarHBondContact O-N 3.42Å; Y618-H620 VanDerWaalsContact O-N 3.08Å; H620-G622 PolarHBondContact CD2-N 2.95Å; H620-G622 PolarHBondContact O-N 3.42Å
621	G	86.4	Confident	86.4	Confident	33 Å²	33	83.6 Å²	83.6	34%	0.34	42%	0.415	S	S	.	.	S	Bend	trans	81.7	-18.2	-179.6	0	0	0	0	0	114.9	Y618	Y618-G621 PolarHBondContact O-N 2.78Å
622	G	84.9	Confident	86.6	Confident	24 Å²	24	85.4 Å²	85.4	25%	0.247	42%	0.419	C	S	.	.			trans	-64.1	148	176.4	0	0	0	0	0	113.3	T617 Y618 H620	T617-G622 WeakPolarHBondContact CA-O 3.42Å; Y618-G622 WeakPolarHBondContact CD2-O 3.5Å; Y618-G622 PolarHBondContact N-O 3.31Å; H620-G622 PolarHBondContact CD2-N 2.95Å; H620-G622 PolarHBondContact O-N 3.42Å
623	S	87.5	Confident	86.9	Confident	29 Å²	29	87.5 Å²	87.5	20%	0.203	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	136.3	176.5	-63.8	0	0	0	0	111.1	R187 K615 K616	R187-S623 PolarHBondContact NH1-O 2.95Å; R187-S623 PolarHBondContact NH2-O 3.03Å; K615-S623 WeakPolarHBondContact CE-OG 3.48Å; K616-S623 WeakPolarHBondContact O-CA 3.31Å
624	S	89.2	Confident	87.2	Confident	26 Å²	26	81.5 Å²	81.5	18%	0.182	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	138.7	168.1	71.1	0	0	0	0	110.6	R187 K616 Y618	R187-S624 VanDerWaalsContact NH2-C 3.27Å; K616-S624 PolarHBondContact N-O 3.01Å; K616-S624 PolarHBondContact O-N 3.49Å; Y618-S624 WeakPolarHBondContact CE2-OG 3.41Å; Y618-S624 PolarHBondContact OH-OG 3.27Å
625	W	87.3	Confident	87.5	Confident	93 Å²	93	78.2 Å²	78.2	35%	0.352	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	127.5	166.3	-73.9	107.3	0	0	0	108.5	N185 H186 R187 W613 K615	N185-W625 HydrophobicContact CB-CH2 4.19Å; N185-W625 HydrophobicContact CB-CZ2 4.07Å; N185-W625 VanDerWaalsContact O-CZ2 3.29Å; N185-W625 WeakPolarHBondContact O-CZ2 3.49Å; H186-W625 WeakPolarHBondContact O-CZ2 3.49Å; R187-W625 VanDerWaalsContact NH2-N 3.14Å; W613-W625 HydrophobicContact CB-CE3 4.02Å; W613-W625 HydrophobicContact CB-CZ3 4.41Å; W613-W625 HydrophobicContact CE3-CB 4.11Å; K615-W625 HydrophobicContact CB-CD2 4.33Å; K615-W625 HydrophobicContact CB-CE3 4.17Å; K615-W625 HydrophobicContact CB-CH2 4.12Å; K615-W625 HydrophobicContact CB-CZ2 4.25Å; K615-W625 HydrophobicContact CB-CZ3 4.09Å
626	K	84.1	Confident	87.6	Confident	102 Å²	102	76.5 Å²	76.5	44%	0.443	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	136	175.6	-72.8	-168.7	162.1	174.4	0	110	K614 K616 Y618 R628	K614-K626 PolarHBondContact N-O 2.89Å; K614-K626 PolarHBondContact O-N 3.28Å; K616-K626 HydrophobicContact CD-CD 4.26Å; Y618-K626 WeakPolarHBondContact OH-CE 3.18Å; Y618-K626 PolarHBondContact OH-NZ 3.44Å; K626-R628 PolarHBondContact O-N 2.89Å
627	S	81.9	Confident	87.9	Confident	65 Å²	65	71.8 Å²	71.8	46%	0.455	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	110.1	168.6	56	0	0	0	0	107.9	E612	E612-S627 WeakPolarHBondContact O-CA 3.45Å
628	R	76.8	Confident	88.1	Confident	172 Å²	172	67.4 Å²	67.4	65%	0.649	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	-37.8	-176.3	-169.2	-176.9	178.7	-177.8	-3	111	E612 K614 K626	E612-R628 PolarHBondContact O-N 3.12Å; K614-R628 HydrophobicContact CD-CB 4.45Å; K626-R628 PolarHBondContact O-N 2.89Å
629	K	86.3	Confident	88.4	Confident	119 Å²	119	66.2 Å²	66.2	52%	0.517	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	147.2	-173.6	-63.1	-173.8	179.2	-176.8	0	111	E612 I631	E612-K629 HydrophobicContact CB-CB 4.29Å; E612-K629 PolarHBondContact N-O 2.9Å; K629-I631 HydrophobicContact CB-CG1 4.45Å
630	K	91.1	Very high	88.8	Confident	105 Å²	105	63.3 Å²	63.3	46%	0.457	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	118.7	167.2	-65.6	170.1	173.9	-173.3	0	106.8	V68 D69 V609 L611	V68-K630 PolarHBondContact O-NZ 2.86Å; D69-K630 WeakPolarHBondContact O-CE 3.32Å; D69-K630 PolarHBondContact O-NZ 2.89Å; V609-K630 HydrophobicContact CG1-CB 3.96Å; L611-K630 HydrophobicContact CD2-CG 3.84Å
631	I	90.8	Very high	89.2	Confident	68 Å²	68	57.4 Å²	57.4	35%	0.349	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	120.8	-176.3	-59	179.7	0	0	0	108.4	S610 E612 K629	S610-I631 PolarHBondContact N-O 3.43Å; S610-I631 PolarHBondContact O-N 2.88Å; S610-I631 PolarHBondContact OG-O 3.43Å; E612-I631 HydrophobicContact CB-CD1 3.72Å; E612-I631 HydrophobicContact CB-CG1 4.26Å; E612-I631 HydrophobicContact CG-CD1 4.11Å; K629-I631 HydrophobicContact CB-CG1 4.45Å
632	W	93.3	Very high	89.5	Confident	78 Å²	78	61.5 Å²	61.5	30%	0.295	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	130.9	170.1	-71.8	85.7	0	0	0	110.2	P73 P89 L603 M608 V609	P73-W632 HydrophobicContact CG-CH2 4.23Å; P73-W632 HydrophobicContact CG-CZ2 4.16Å; P89-W632 HydrophobicContact CB-CH2 3.76Å; P89-W632 HydrophobicContact CB-CZ3 3.5Å; P89-W632 VanDerWaalsContact CB-CZ3 3.5Å; P89-W632 HydrophobicContact CG-CH2 3.64Å; P89-W632 HydrophobicContact CG-CZ3 3.92Å; L603-W632 HydrophobicContact CD1-CB 4.39Å; L603-W632 HydrophobicContact CD2-CB 3.35Å; L603-W632 HydrophobicContact CD2-CG 4.14Å; L603-W632 HydrophobicContact CG-CB 3.84Å; L603-W632 HydrophobicContact CG-CD2 4.49Å; L603-W632 HydrophobicContact CG-CE3 4.06Å; L603-W632 HydrophobicContact CG-CG 4.48Å; L603-W632 WeakPolarHBondContact O-CZ3 3.13Å; M608-W632 WeakPolarHBondContact O-CA 3.32Å; V609-W632 HydrophobicContact CG2-CD2 3.62Å; V609-W632 VanDerWaalsContact CG2-CE2 3.44Å; V609-W632 HydrophobicContact CG2-CE3 3.73Å; V609-W632 HydrophobicContact CG2-CG 4.37Å; V609-W632 HydrophobicContact CG2-CH2 3.58Å; V609-W632 HydrophobicContact CG2-CZ2 3.43Å; V609-W632 VanDerWaalsContact CG2-CZ2 3.43Å; V609-W632 HydrophobicContact CG2-CZ3 3.72Å
633	R	92.9	Very high	89.8	Confident	100 Å²	100	69.1 Å²	69.1	38%	0.377	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	157.3	177.4	56.9	179.8	174.2	127.3	2.9	110.7	S474 M608 S610	S474-R633 PolarHBondContact OG-NH2 2.83Å; M608-R633 HydrophobicContact CE-CG 3.94Å; M608-R633 HydrophobicContact CG-CG 4.32Å; M608-R633 WeakPolarHBondContact CG-O 3.48Å; M608-R633 PolarHBondContact N-O 3.32Å; M608-R633 PolarHBondContact O-N 2.7Å; S610-R633 PolarHBondContact OG-NE 2.88Å
634	F	94.3	Very high	90	Very high	15 Å²	15	70.2 Å²	70.2	7%	0.066	33%	0.325	C	S	.	.			trans	-79.4	153.9	165.9	-61.9	-75.7	0	0	0	110.2	S582 L585 C599 L603 R606	S582-F634 WeakPolarHBondContact O-CB 3.48Å; L585-F634 HydrophobicContact CB-CD1 4.21Å; L585-F634 HydrophobicContact CB-CD2 4.01Å; L585-F634 HydrophobicContact CB-CE1 4.22Å; L585-F634 HydrophobicContact CB-CE2 4.03Å; L585-F634 HydrophobicContact CB-CG 4.1Å; L585-F634 HydrophobicContact CB-CZ 4.13Å; L585-F634 HydrophobicContact CD1-CD1 4.23Å; L585-F634 HydrophobicContact CD1-CE1 3.87Å; L585-F634 HydrophobicContact CD1-CZ 4.27Å; C599-F634 HydrophobicContact CB-CE2 3.99Å; C599-F634 HydrophobicContact CB-CZ 4.31Å; C599-F634 WeakPolarHBondContact O-CZ 3.23Å; L603-F634 HydrophobicContact CB-CZ 4.25Å; L603-F634 HydrophobicContact CD1-CD1 4.21Å; L603-F634 HydrophobicContact CD1-CD2 3.95Å; L603-F634 HydrophobicContact CD1-CE1 3.89Å; L603-F634 HydrophobicContact CD1-CE2 3.61Å; L603-F634 HydrophobicContact CD1-CG 4.23Å; L603-F634 HydrophobicContact CD1-CZ 3.58Å; R606-F634 HydrophobicContact CB-CD1 4.48Å; R606-F634 HydrophobicContact CB-CE1 4.14Å
635	S	92.4	Very high	90.1	Very high	3 Å²	3	70.9 Å²	70.9	2%	0.021	33%	0.33	C	S	.	.			trans	-75.6	168.5	172.6	65.5	0	0	0	0	111.3	E479 S582 F583 L637	E479-S635 PolarHBondContact OE1-OG 3.42Å; E479-S635 VanDerWaalsContact OE1-OG 3.06Å; E479-S635 WeakPolarHBondContact OE2-CB 3.37Å; E479-S635 PolarHBondContact OE2-OG 3.41Å; S582-S635 CarbonylContact C-O 3.56Å; S582-S635 VanDerWaalsContact CB-OG 3.29Å; S582-S635 WeakPolarHBondContact CB-OG 3.39Å; F583-S635 PolarHBondContact N-O 3.18Å; S635-L637 PolarHBondContact O-N 3.14Å; S635-L637 WeakPolarHBondContact OG-CB 3.17Å
636	S	90.7	Very high	90.2	Very high	31 Å²	31	72.1 Å²	72.1	22%	0.217	34%	0.338	C	S	.	.	S	Bend	trans	-82.7	15.2	173	52.1	0	0	0	0	112.9	F638	S636-F638 PolarHBondContact O-N 3.46Å
637	L	92.8	Very high	90.3	Very high	11 Å²	11	68.9 Å²	68.9	6%	0.058	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-72.5	126.3	-178	-178.1	65.7	0	0	0	110.7	F475 E479 H483 F583 S635	F475-L637 HydrophobicContact CD1-CB 4.1Å; F475-L637 HydrophobicContact CE1-CB 4.02Å; E479-L637 HydrophobicContact CB-CD2 3.65Å; E479-L637 HydrophobicContact CG-CD2 3.67Å; H483-L637 HydrophobicContact CB-CD1 4.01Å; F583-L637 WeakPolarHBondContact CB-O 3.28Å; F583-L637 PolarHBondContact N-O 2.78Å; S635-L637 PolarHBondContact O-N 3.14Å; S635-L637 WeakPolarHBondContact OG-CB 3.17Å
638	F	93.3	Very high	90.2	Very high	8 Å²	8	73.6 Å²	73.6	4%	0.035	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-84.3	162.7	166.2	65.4	-101.1	0	0	0	111	N486 I491 I526 L535 L537 D581 S636 V641	N486-F638 HydrophobicContact CB-CE2 4.07Å; N486-F638 HydrophobicContact CB-CZ 3.72Å; I491-F638 HydrophobicContact CD1-CZ 4.04Å; I526-F638 HydrophobicContact CD1-CE2 4.24Å; I526-F638 HydrophobicContact CD1-CZ 4.18Å; L535-F638 HydrophobicContact CB-CD1 4.08Å; L535-F638 HydrophobicContact CB-CE1 3.83Å; L535-F638 VanDerWaalsContact O-CD1 3.32Å; L535-F638 WeakPolarHBondContact O-CD1 3.1Å; L537-F638 HydrophobicContact CD1-CD2 3.45Å; L537-F638 VanDerWaalsContact CD1-CD2 3.45Å; L537-F638 HydrophobicContact CD1-CE2 4Å; L537-F638 HydrophobicContact CD1-CG 4.38Å; L537-F638 HydrophobicContact CG-CD2 3.64Å; L537-F638 HydrophobicContact CG-CE2 4.13Å; L537-F638 HydrophobicContact CG-CG 4.27Å; D581-F638 VanDerWaalsContact OD2-CA 3.25Å; D581-F638 WeakPolarHBondContact OD2-CA 3.06Å; S636-F638 PolarHBondContact O-N 3.46Å; F638-V641 HydrophobicContact CE2-CG2 4.18Å
639	S	92	Very high	90.3	Very high	42 Å²	42	67.3 Å²	67.3	29%	0.294	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-47.7	122.3	-179.4	-61.8	0	0	0	0	112.5	L537 D581 V641	L537-S639 WeakPolarHBondContact CD1-O 3.48Å; D581-S639 WeakPolarHBondContact CB-OG 3.47Å; D581-S639 PolarHBondContact OD2-N 2.94Å; D581-S639 PolarHBondContact OD2-OG 2.9Å; S639-V641 PolarHBondContact O-N 3.26Å
640	P	92.1	Very high	90.1	Very high	76 Å²	76	65.9 Å²	65.9	49%	0.494	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-56.2	135.5	-177.3	-26.5	34.2	0	0	0	112.6
641	V	93.4	Very high	90	Very high	6 Å²	6	64.1 Å²	64.1	4%	0.036	34%	0.336	C	S	.	.			trans	-106.3	108.8	177.5	-179	0	0	0	0	109	N486 P519 L537 F638 S639 R643 W644	N486-V641 PolarHBondContact ND2-O 2.81Å; N486-V641 PolarHBondContact OD1-N 3.13Å; P519-V641 HydrophobicContact CB-CG1 3.92Å; P519-V641 HydrophobicContact CB-CG2 4.12Å; P519-V641 HydrophobicContact CG-CG1 4.3Å; P519-V641 HydrophobicContact CG-CG2 3.92Å; L537-V641 HydrophobicContact CD1-CG2 3.81Å; L537-V641 HydrophobicContact CD2-CG2 4.42Å; F638-V641 HydrophobicContact CE2-CG2 4.18Å; S639-V641 PolarHBondContact O-N 3.26Å; V641-R643 WeakPolarHBondContact CG1-O 3.42Å; V641-W644 HydrophobicContact CB-CH2 4.44Å; V641-W644 HydrophobicContact CB-CZ2 3.99Å; V641-W644 HydrophobicContact CG1-CD2 3.89Å; V641-W644 HydrophobicContact CG1-CE3 4.25Å; V641-W644 HydrophobicContact CG1-CG 4.38Å; V641-W644 HydrophobicContact CG1-CH2 4.26Å; V641-W644 HydrophobicContact CG1-CZ2 3.9Å; V641-W644 HydrophobicContact CG1-CZ3 4.42Å; V641-W644 HydrophobicContact CG2-CH2 4.22Å; V641-W644 HydrophobicContact CG2-CZ2 4.22Å
642	D	92	Very high	89.9	Confident	118 Å²	118	61.6 Å²	61.6	63%	0.631	32%	0.324	S	S	*	.	S	Bend	trans	-76.1	-33.5	-179.5	-69.7	-44.8	0	0	0	113	R485	R485-D642 PolarHBondContact NH2-O 3.44Å
643	R	91.9	Very high	89.7	Confident	184 Å²	184	60.9 Å²	60.9	69%	0.694	33%	0.33	S	S	*	.			trans	-145.5	135.6	-174.3	-64.5	177.5	66.7	126.2	-0	111	S520 V641	S520-R643 VanDerWaalsContact CB-O 3.31Å; S520-R643 WeakPolarHBondContact CB-O 3.18Å; S520-R643 PolarHBondContact N-O 3.25Å; V641-R643 WeakPolarHBondContact CG1-O 3.42Å
644	W	92.2	Very high	89.6	Confident	52 Å²	52	60.5 Å²	60.5	20%	0.197	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	140.6	172.6	-62.9	96.5	0	0	0	110.5	D490 I491 F499 F517 P519 I526 V641	D490-W644 HydrophobicContact CB-CZ2 4.37Å; D490-W644 PolarHBondContact OD2-NE1 3.38Å; I491-W644 HydrophobicContact CD1-CH2 4.23Å; I491-W644 HydrophobicContact CD1-CZ2 4.27Å; I491-W644 HydrophobicContact CG1-CH2 4.3Å; I491-W644 HydrophobicContact CG1-CZ2 4.16Å; F499-W644 AromaticContact CE2-CD2 3.98Å; F499-W644 HydrophobicContact CE2-CD2 3.98Å; F499-W644 AromaticContact CE2-CE3 3.72Å; F499-W644 HydrophobicContact CE2-CE3 3.72Å; F499-W644 AromaticContact CE2-CH2 3.71Å; F499-W644 HydrophobicContact CE2-CH2 3.71Å; F499-W644 AromaticContact CE2-CZ2 3.95Å; F499-W644 HydrophobicContact CE2-CZ2 3.95Å; F499-W644 AromaticContact CE2-CZ3 3.59Å; F499-W644 HydrophobicContact CE2-CZ3 3.59Å; F499-W644 AromaticContact CZ-CE3 3.99Å; F499-W644 HydrophobicContact CZ-CE3 3.99Å; F499-W644 AromaticContact CZ-CH2 3.62Å; F499-W644 HydrophobicContact CZ-CH2 3.62Å; F499-W644 HydrophobicContact CZ-CZ2 4.31Å; F499-W644 AromaticContact CZ-CZ3 3.44Å; F499-W644 HydrophobicContact CZ-CZ3 3.44Å; F499-W644 VanDerWaalsContact CZ-CZ3 3.44Å; F517-W644 HydrophobicContact CB-CB 4.26Å; F517-W644 HydrophobicContact CB-CD2 4.49Å; F517-W644 HydrophobicContact CB-CE3 3.92Å; F517-W644 HydrophobicContact CD1-CB 4.42Å; F517-W644 HydrophobicContact CG-CB 4.41Å; P519-W644 HydrophobicContact CG-CZ3 4.23Å; I526-W644 HydrophobicContact CD1-CH2 4.03Å; I526-W644 HydrophobicContact CG1-CH2 3.75Å; I526-W644 HydrophobicContact CG1-CZ3 4.12Å; V641-W644 HydrophobicContact CB-CH2 4.44Å; V641-W644 HydrophobicContact CB-CZ2 3.99Å; V641-W644 HydrophobicContact CG1-CD2 3.89Å; V641-W644 HydrophobicContact CG1-CE3 4.25Å; V641-W644 HydrophobicContact CG1-CG 4.38Å; V641-W644 HydrophobicContact CG1-CH2 4.26Å; V641-W644 HydrophobicContact CG1-CZ2 3.9Å; V641-W644 HydrophobicContact CG1-CZ3 4.42Å; V641-W644 HydrophobicContact CG2-CH2 4.22Å; V641-W644 HydrophobicContact CG2-CZ2 4.22Å
645	S	91.5	Very high	89.5	Confident	41 Å²	41	61 Å²	61	29%	0.287	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	151.3	174.9	-64.7	0	0	0	0	110.4	F517 H518 S520 S647	F517-S645 VanDerWaalsContact CA-O 3.3Å; F517-S645 WeakPolarHBondContact CA-O 2.96Å; H518-S645 PolarHBondContact CD2-O 3.26Å; H518-S645 VanDerWaalsContact CD2-O 3.28Å; H518-S645 PolarHBondContact N-O 3.15Å; H518-S645 PolarHBondContact O-N 3.48Å; S520-S645 WeakPolarHBondContact CB-OG 3.4Å; S645-S647 PolarHBondContact O-N 3.09Å
646	F	89.4	Confident	89.5	Confident	118 Å²	118	62.7 Å²	62.7	52%	0.518	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	132	176	-76	-74.1	0	0	0	110.6	R516 F517 H518	R516-F646 CarbonylContact O-C 3.44Å; R516-F646 VanDerWaalsContact O-CA 3.31Å; R516-F646 WeakPolarHBondContact O-CA 3.43Å; F517-F646 HydrophobicContact CD1-CD1 4.06Å; F517-F646 HydrophobicContact CD1-CE1 4.19Å; F517-F646 HydrophobicContact CD1-CG 4.5Å; F517-F646 AromaticContact CE1-CD1 3.59Å; F517-F646 HydrophobicContact CE1-CD1 3.59Å; F517-F646 HydrophobicContact CE1-CD2 4.43Å; F517-F646 AromaticContact CE1-CE1 3.28Å; F517-F646 HydrophobicContact CE1-CE1 3.28Å; F517-F646 HydrophobicContact CE1-CE2 4.19Å; F517-F646 HydrophobicContact CE1-CG 4.16Å; F517-F646 AromaticContact CE1-CZ 3.62Å; F517-F646 HydrophobicContact CE1-CZ 3.62Å; F517-F646 HydrophobicContact CZ-CD1 4.37Å; F517-F646 AromaticContact CZ-CE1 3.69Å; F517-F646 HydrophobicContact CZ-CE1 3.69Å; F517-F646 HydrophobicContact CZ-CZ 4.04Å; H518-F646 PolarHBondContact NE2-O 3.34Å
647	S	84.5	Confident	89.4	Confident	34 Å²	34	69 Å²	69	24%	0.238	36%	0.363	C	S	.	.			trans	-66.7	145.9	172.7	59.1	0	0	0	0	110.3	I515 R516 S645 A649	I515-S647 PolarHBondContact O-OG 3.22Å; R516-S647 WeakPolarHBondContact CA-OG 3.38Å; R516-S647 PolarHBondContact O-N 3.02Å; R516-S647 PolarHBondContact O-OG 2.92Å; S645-S647 PolarHBondContact O-N 3.09Å; S647-A649 PolarHBondContact O-N 2.91Å
648	N	81.5	Confident	89.3	Confident	165 Å²	165	73.1 Å²	73.1	88%	0.882	39%	0.393	S	S	*	.			trans	-74.4	34.9	170.7	-68.4	-29.8	0	0	0	111.8
649	A	77.5	Confident	89.3	Confident	39 Å²	39	73.2 Å²	73.2	32%	0.322	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-69.6	148.1	179.4	0	0	0	0	0	110.6	S647	S647-A649 PolarHBondContact O-N 2.91Å
650	P	83.3	Confident	89.2	Confident	89 Å²	89	76.4 Å²	76.4	58%	0.578	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-56.8	147.4	173.3	24.8	-33.2	0	0	0	110.4	Q514 E654	Q514-P650 PolarHBondContact NE2-O 3.31Å; Q514-P650 PolarHBondContact OE1-O 3.48Å; P650-E654 HydrophobicContact CB-CB 4.48Å
651	S	87.3	Confident	89.1	Confident	68 Å²	68	76 Å²	76	48%	0.476	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-62.9	147.6	178.9	76.3	0	0	0	0	110.7	S653 E654	S651-S653 PolarHBondContact O-N 2.88Å; S651-S653 PolarHBondContact OG-OG 3.38Å; S651-E654 WeakPolarHBondContact O-CB 3.29Å; S651-E654 PolarHBondContact O-N 2.87Å
652	M	90.2	Very high	88.9	Confident	16 Å²	16	80.7 Å²	80.7	8%	0.079	43%	0.425	C	S	.	.	H	α-helix	trans	-53.9	-26.7	174.2	-175.2	56.6	66.9	0	0	112.6	Q501 C503 F512 Q514 E654 H655 L656	Q501-M652 HydrophobicContact CB-CE 4.47Å; Q501-M652 HydrophobicContact CG-CE 3.86Å; C503-M652 HydrophobicContact CB-SD 4.43Å; F512-M652 HydrophobicContact CD1-CE 4.07Å; F512-M652 HydrophobicContact CD1-SD 3.97Å; F512-M652 HydrophobicContact CE1-CE 3.85Å; F512-M652 HydrophobicContact CE1-SD 3.89Å; Q514-M652 HydrophobicContact CG-CE 4.3Å; M652-E654 PolarHBondContact O-N 3.35Å; M652-H655 PolarHBondContact O-N 3.16Å; M652-H655 HydrophobicContact SD-CB 4.19Å; M652-L656 HydrophobicContact CG-CD1 4.46Å; M652-L656 HydrophobicContact CG-CG 4.43Å; M652-L656 WeakPolarHBondContact O-CG 3.46Å; M652-L656 PolarHBondContact O-N 2.87Å
653	S	89.4	Confident	88.6	Confident	62 Å²	62	83.9 Å²	83.9	43%	0.434	44%	0.436	S	S	.	.	H	α-helix	trans	-62.7	-28.3	176.3	77.5	0	0	0	0	113.5	S651 L656 R657	S651-S653 PolarHBondContact O-N 2.88Å; S651-S653 PolarHBondContact OG-OG 3.38Å; S653-L656 PolarHBondContact O-N 3.01Å; S653-R657 WeakPolarHBondContact O-CG 3.4Å; S653-R657 PolarHBondContact O-N 2.96Å
654	E	90.4	Very high	88	Confident	92 Å²	92	82.4 Å²	82.4	43%	0.43	43%	0.43	S	S	.	.	H	α-helix	trans	-68.7	-45.5	176.3	-166.4	59.9	-148	0	0	110.5	P650 S651 M652 L656 R657	P650-E654 HydrophobicContact CB-CB 4.48Å; S651-E654 WeakPolarHBondContact O-CB 3.29Å; S651-E654 PolarHBondContact O-N 2.87Å; M652-E654 PolarHBondContact O-N 3.35Å; E654-L656 VanDerWaalsContact C-N 3.34Å; E654-L656 PolarHBondContact O-N 3.22Å; E654-R657 WeakPolarHBondContact O-CB 3.34Å; E654-R657 PolarHBondContact O-N 2.84Å; E654-R657 IonicContact OE1-NH1 3.19Å; E654-R657 IonicContact OE2-CZ 2.68Å; E654-R657 IonicContact OE2-NE 3.7Å; E654-R657 IonicContact OE2-NH1 3.61Å; E654-R657 PolarHBondContact OE2-NH1 3.24Å
655	H	91.8	Very high	87.3	Confident	27 Å²	27	86.4 Å²	86.4	13%	0.125	45%	0.451	C	S	.	.	H	α-helix	trans	-59.5	-44.3	171.9	168.9	69.3	0	0	0	111.8	C510 F512 M652 R657 S658 C659	C510-H655 PolarHBondContact SG-NE2 2.87Å; F512-H655 WeakPolarHBondContact CB-CE1 3.36Å; F512-H655 HydrophobicContact CD1-CB 3.91Å; F512-H655 AromaticContact CD1-CD2 3.52Å; F512-H655 AromaticContact CD1-CE1 3.91Å; F512-H655 AromaticContact CD1-CG 3.35Å; F512-H655 AromaticContact CD1-ND1 3.62Å; F512-H655 AromaticContact CD1-NE2 3.88Å; F512-H655 AromaticContact CD2-CE1 3.95Å; F512-H655 AromaticContact CD2-ND1 3.52Å; F512-H655 HydrophobicContact CE1-CB 3.6Å; F512-H655 AromaticContact CE1-CG 3.61Å; F512-H655 HydrophobicContact CE2-CB 4.4Å; F512-H655 AromaticContact CE2-ND1 3.98Å; F512-H655 HydrophobicContact CG-CB 4.44Å; F512-H655 AromaticContact CG-CD2 3.88Å; F512-H655 AromaticContact CG-CE1 3.44Å; F512-H655 VanDerWaalsContact CG-CE1 3.44Å; F512-H655 WeakPolarHBondContact CG-CE1 3.07Å; F512-H655 AromaticContact CG-CG 3.61Å; F512-H655 AromaticContact CG-ND1 3.32Å; F512-H655 VanDerWaalsContact CG-ND1 3.32Å; F512-H655 WeakPolarHBondContact CG-ND1 3.43Å; F512-H655 AromaticContact CG-NE2 3.79Å; F512-H655 HydrophobicContact CZ-CB 3.87Å; M652-H655 PolarHBondContact O-N 3.16Å; M652-H655 HydrophobicContact SD-CB 4.19Å; H655-R657 PolarHBondContact O-N 2.83Å; H655-R657 VanDerWaalsContact O-N 3.17Å; H655-S658 CarbonylContact O-C 3.54Å; H655-S658 PolarHBondContact O-N 3.03Å; H655-S658 PolarHBondContact O-OG 3.17Å; H655-C659 PolarHBondContact NE2-SG 3.02Å; H655-C659 WeakPolarHBondContact O-CB 3.15Å; H655-C659 PolarHBondContact O-N 3.25Å
656	L	91.6	Very high	86.4	Confident	37 Å²	37	90.3 Å²	90.3	19%	0.194	47%	0.465	C	S	.	.	H	α-helix	trans	-60.2	-26.1	-179.8	-71.1	174.6	0	0	0	113.1	L505 M652 S653 E654 S658 Y662	L505-L656 HydrophobicContact CD1-CD2 4.21Å; M652-L656 HydrophobicContact CG-CD1 4.46Å; M652-L656 HydrophobicContact CG-CG 4.43Å; M652-L656 WeakPolarHBondContact O-CG 3.46Å; M652-L656 PolarHBondContact O-N 2.87Å; S653-L656 PolarHBondContact O-N 3.01Å; E654-L656 VanDerWaalsContact C-N 3.34Å; E654-L656 PolarHBondContact O-N 3.22Å; L656-S658 VanDerWaalsContact C-N 3.27Å; L656-S658 PolarHBondContact O-N 3.44Å; L656-Y662 WeakPolarHBondContact O-CD1 3.28Å
657	R	90.2	Very high	85.5	Confident	165 Å²	165	93.1 Å²	93.1	62%	0.623	47%	0.472	S	S	*	.	H	α-helix	trans	-64.4	-33	173.8	-69.5	168.6	-179.4	-177	-3.8	112.7	S653 E654 H655	S653-R657 WeakPolarHBondContact O-CG 3.4Å; S653-R657 PolarHBondContact O-N 2.96Å; E654-R657 WeakPolarHBondContact O-CB 3.34Å; E654-R657 PolarHBondContact O-N 2.84Å; E654-R657 IonicContact OE1-NH1 3.19Å; E654-R657 IonicContact OE2-CZ 2.68Å; E654-R657 IonicContact OE2-NE 3.7Å; E654-R657 IonicContact OE2-NH1 3.61Å; E654-R657 PolarHBondContact OE2-NH1 3.24Å; H655-R657 PolarHBondContact O-N 2.83Å; H655-R657 VanDerWaalsContact O-N 3.17Å
658	S	90.5	Very high	84.9	Confident	97 Å²	97	101.9 Å²	101.9	68%	0.678	50%	0.5	S	S	*	.	H	α-helix	trans	-110.3	6.8	-178	59.6	0	0	0	0	113.3	H655 L656 S660	H655-S658 CarbonylContact O-C 3.54Å; H655-S658 PolarHBondContact O-N 3.03Å; H655-S658 PolarHBondContact O-OG 3.17Å; L656-S658 VanDerWaalsContact C-N 3.27Å; L656-S658 PolarHBondContact O-N 3.44Å; S658-S660 PolarHBondContact O-N 3.38Å
659	C	91.8	Very high	84.6	Confident	10 Å²	10	102 Å²	102	7%	0.068	50%	0.495	C	S	.	.			trans	-74.2	121.8	-176.6	-175	0	0	0	0	110.1	C510 H655 F661 Y662	C510-C659 VanDerWaalsContact SG-SG 3.67Å; H655-C659 PolarHBondContact NE2-SG 3.02Å; H655-C659 WeakPolarHBondContact O-CB 3.15Å; H655-C659 PolarHBondContact O-N 3.25Å; C659-F661 PolarHBondContact O-N 2.85Å; C659-F661 VanDerWaalsContact O-N 3.17Å; C659-Y662 PolarHBondContact O-N 3.43Å
660	S	90.6	Very high	84.3	Confident	108 Å²	108	106.3 Å²	106.3	76%	0.755	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-23.8	179.4	53.4	0	0	0	0	113.8	S658	S658-S660 PolarHBondContact O-N 3.38Å
661	F	89.9	Confident	83.6	Confident	68 Å²	68	105.5 Å²	105.5	30%	0.298	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-8.5	-179.8	-60.5	-85.8	0	0	0	112.8	L505 L508 G509 C510 C659 Q663	L505-F661 HydrophobicContact CB-CB 4.08Å; L505-F661 HydrophobicContact CD1-CB 4.19Å; L508-F661 HydrophobicContact CB-CB 4.21Å; L508-F661 HydrophobicContact CB-CD1 3.8Å; L508-F661 HydrophobicContact CB-CG 4.27Å; L508-F661 HydrophobicContact CD1-CB 4.46Å; L508-F661 VanDerWaalsContact O-CD1 3.32Å; L508-F661 WeakPolarHBondContact O-CD1 3.47Å; L508-F661 WeakPolarHBondContact O-CE1 3.18Å; G509-F661 VanDerWaalsContact C-CZ 3.46Å; C510-F661 HydrophobicContact CB-CD2 3.57Å; C510-F661 HydrophobicContact CB-CE2 4.07Å; C510-F661 HydrophobicContact CB-CG 4.28Å; C659-F661 PolarHBondContact O-N 2.85Å; C659-F661 VanDerWaalsContact O-N 3.17Å; F661-Q663 PolarHBondContact O-N 2.94Å
662	Y	90.3	Very high	82.6	Confident	105 Å²	105	106.3 Å²	106.3	41%	0.412	53%	0.531	S	S	.	.			trans	-89.8	97.5	-178.2	-172.6	-121	0	0	0	111.3	L505 L656 C659 R664	L505-Y662 VanDerWaalsContact CD1-CA 3.43Å; L505-Y662 VanDerWaalsContact CD1-CB 3.5Å; L505-Y662 HydrophobicContact CD1-CD2 3.77Å; L505-Y662 HydrophobicContact CD1-CG 4.09Å; L656-Y662 WeakPolarHBondContact O-CD1 3.28Å; C659-Y662 PolarHBondContact O-N 3.43Å; Y662-R664 HydrophobicContact CE1-CB 4.45Å
663	Q	84.6	Confident	81.7	Confident	185 Å²	185	111.1 Å²	111.1	86%	0.864	56%	0.557	S	S	*	*			trans	-86.1	113.4	170.8	-166.9	173.7	13.7	0	0	110.1	F661 E665	F661-Q663 PolarHBondContact O-N 2.94Å; Q663-E665 PolarHBondContact O-N 3.18Å
664	R	79.1	Confident	80.7	Confident	152 Å²	152	112.6 Å²	112.6	57%	0.574	57%	0.573	S	S	*	*			trans	-80.1	116.4	176.9	-173.1	-178.3	-65	171	2.7	110.2	Y662 E666	Y662-R664 HydrophobicContact CE1-CB 4.45Å; R664-E666 HydrophobicContact CG-CG 4.4Å
665	E	77.4	Confident	79.3	Confident	136 Å²	136	112.7 Å²	112.7	64%	0.636	58%	0.582	S	S	*	*			trans	-88.7	105.2	168.9	-162.2	-172.6	167.9	0	0	109.5	Q663 R667	Q663-E665 PolarHBondContact O-N 3.18Å; E665-R667 VanDerWaalsContact CD-NE 3.3Å; E665-R667 HydrophobicContact CG-CG 4.11Å; E665-R667 PolarHBondContact O-N 3.41Å; E665-R667 VanDerWaalsContact O-N 3.15Å; E665-R667 IonicContact OE1-CZ 2.68Å; E665-R667 IonicContact OE1-NE 3.33Å; E665-R667 PolarHBondContact OE1-NE 2.97Å; E665-R667 IonicContact OE1-NH2 2.77Å; E665-R667 PolarHBondContact OE1-NH2 2.61Å; E665-R667 IonicContact OE2-CZ 2.89Å; E665-R667 IonicContact OE2-NE 2.77Å; E665-R667 PolarHBondContact OE2-NE 3.06Å; E665-R667 IonicContact OE2-NH2 3.85Å; E665-R667 PolarHBondContact OE2-NH2 3.21Å; E665-R667 VanDerWaalsContact OE2-NH2 3.09Å
666	E	74.1	Confident	77.6	Confident	123 Å²	123	115.6 Å²	115.6	58%	0.575	60%	0.598	S	S	*	*			trans	-82.1	84	171.9	-72.4	-170.6	178.5	0	0	110.3	R664 R668	R664-E666 HydrophobicContact CG-CG 4.4Å; E666-R668 PolarHBondContact O-N 3.2Å; E666-R668 IonicContact OE2-NE 2.79Å; E666-R668 IonicContact OE2-NH2 2.71Å; E666-R668 PolarHBondContact OE2-NH2 3.36Å
667	R	69.1	Low	76	Confident	177 Å²	177	120.2 Å²	120.2	67%	0.668	62%	0.619	S	S	*	*			trans	-70.4	101.5	170.2	-68.3	-166.7	-179.2	171.5	9.9	109.9	E665 E669	E665-R667 VanDerWaalsContact CD-NE 3.3Å; E665-R667 HydrophobicContact CG-CG 4.11Å; E665-R667 PolarHBondContact O-N 3.41Å; E665-R667 VanDerWaalsContact O-N 3.15Å; E665-R667 IonicContact OE1-CZ 2.68Å; E665-R667 IonicContact OE1-NE 3.33Å; E665-R667 PolarHBondContact OE1-NE 2.97Å; E665-R667 IonicContact OE1-NH2 2.77Å; E665-R667 PolarHBondContact OE1-NH2 2.61Å; E665-R667 IonicContact OE2-CZ 2.89Å; E665-R667 IonicContact OE2-NE 2.77Å; E665-R667 PolarHBondContact OE2-NE 3.06Å; E665-R667 IonicContact OE2-NH2 3.85Å; E665-R667 PolarHBondContact OE2-NH2 3.21Å; E665-R667 VanDerWaalsContact OE2-NH2 3.09Å; R667-E669 VanDerWaalsContact C-N 3.33Å
668	R	73.3	Confident	74.4	Confident	219 Å²	219	118.3 Å²	118.3	83%	0.826	62%	0.617	S	S	*	*			trans	-81.7	-15.2	174	-63.8	-174.9	-179.3	-168.4	-0.7	112.9	E666	E666-R668 PolarHBondContact O-N 3.2Å; E666-R668 IonicContact OE2-NE 2.79Å; E666-R668 IonicContact OE2-NH2 2.71Å; E666-R668 PolarHBondContact OE2-NH2 3.36Å
669	E	73.5	Confident	72.8	Confident	166 Å²	166	117.2 Å²	117.2	78%	0.776	61%	0.606	S	S	*	*	S	Bend	trans	-87.2	135.4	177.5	-63	-172.1	175.2	0	0	110.8	R667 A671	R667-E669 VanDerWaalsContact C-N 3.33Å; E669-A671 PolarHBondContact O-N 3.49Å; E669-A671 VanDerWaalsContact O-N 3.1Å
670	P	71.3	Confident	71.2	Confident	131 Å²	131	125.6 Å²	125.6	85%	0.851	64%	0.636	S	S	*	*			trans	-64.2	114.1	178.7	23.7	-30.5	0	0	0	110.5
671	A	69.8	Low	69.7	Low	71 Å²	71	126 Å²	126	59%	0.587	63%	0.626	S	S	*	*			trans	-75.7	132.6	172.5	0	0	0	0	0	110.3	E669 L673	E669-A671 PolarHBondContact O-N 3.49Å; E669-A671 VanDerWaalsContact O-N 3.1Å; A671-L673 PolarHBondContact O-N 3.05Å; A671-L673 VanDerWaalsContact O-N 3.17Å
672	A	66.8	Low	68.1	Low	85 Å²	85	129.7 Å²	129.7	70%	0.702	64%	0.642	S	S	*	*			trans	-67.6	113.2	173.2	0	0	0	0	0	109.4	A674	A672-A674 PolarHBondContact O-N 3.24Å
673	L	71.2	Confident	66.4	Low	118 Å²	118	130.1 Å²	130.1	62%	0.618	65%	0.648	S	S	*	*			trans	-64.4	134.4	172.3	-61.4	172	0	0	0	108.7	A671 C675 L676	A671-L673 PolarHBondContact O-N 3.05Å; A671-L673 VanDerWaalsContact O-N 3.17Å; L673-C675 PolarHBondContact O-N 3.02Å; L673-L676 HydrophobicContact CB-CB 4.45Å; L673-L676 HydrophobicContact CB-CD1 4.01Å; L673-L676 HydrophobicContact CB-CG 4.36Å; L673-L676 HydrophobicContact CD1-CD1 3.88Å; L673-L676 HydrophobicContact CG-CD1 4.18Å; L673-L676 PolarHBondContact O-N 3.43Å
674	A	67.6	Low	65	Low	93 Å²	93	127.5 Å²	127.5	77%	0.769	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.1	-20.7	-174.2	0	0	0	0	0	114.3	A672	A672-A674 PolarHBondContact O-N 3.24Å
675	C	60.8	Low	63.7	Low	93 Å²	93	129.2 Å²	129.2	63%	0.628	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	-5.3	179.4	-51.6	0	0	0	0	114.8	L673 V679	L673-C675 PolarHBondContact O-N 3.02Å; C675-V679 WeakPolarHBondContact O-CG2 3.47Å
676	L	57.1	Low	62.5	Low	89 Å²	89	128.2 Å²	128.2	47%	0.466	64%	0.64	S	S	.	*	H	α-helix	trans	-82.9	-21.5	-179.7	-92.2	168.9	0	0	0	113.2	L673 R680	L673-L676 HydrophobicContact CB-CB 4.45Å; L673-L676 HydrophobicContact CB-CD1 4.01Å; L673-L676 HydrophobicContact CB-CG 4.36Å; L673-L676 HydrophobicContact CD1-CD1 3.88Å; L673-L676 HydrophobicContact CG-CD1 4.18Å; L673-L676 PolarHBondContact O-N 3.43Å; L676-R680 PolarHBondContact O-N 3.13Å
677	Q	56.6	Low	61.4	Low	134 Å²	134	130.5 Å²	130.5	63%	0.626	65%	0.648	S	S	*	*	H	α-helix	trans	-67.5	-43.7	173.9	-103.9	172.6	-24.8	0	0	111.5	V679 R680 E681	Q677-V679 VanDerWaalsContact C-N 3.3Å; Q677-V679 PolarHBondContact O-N 2.91Å; Q677-R680 PolarHBondContact O-N 3.19Å; Q677-E681 PolarHBondContact O-N 2.83Å
678	E	57.3	Low	60.6	Low	124 Å²	124	130.6 Å²	130.6	58%	0.579	66%	0.656	S	S	*	*	H	α-helix	trans	-63.3	-35.1	177.6	-65	-173.6	171.1	0	0	112.9	K682	E678-K682 WeakPolarHBondContact O-CB 2.99Å; E678-K682 PolarHBondContact O-N 2.84Å
679	V	57.8	Low	59.5	Low	74 Å²	74	129.1 Å²	129.1	45%	0.448	66%	0.655	S	S	.	*	H	α-helix	trans	-70.7	-36.4	177.1	178	0	0	0	0	111.3	C675 Q677 H683	C675-V679 WeakPolarHBondContact O-CG2 3.47Å; Q677-V679 VanDerWaalsContact C-N 3.3Å; Q677-V679 PolarHBondContact O-N 2.91Å; V679-H683 WeakPolarHBondContact O-CB 3.24Å; V679-H683 PolarHBondContact O-N 2.87Å; V679-H683 PolarHBondContact O-ND1 3.18Å
680	R	57.4	Low	57.9	Low	187 Å²	187	135.3 Å²	135.3	71%	0.706	67%	0.672	S	S	*	*	H	α-helix	trans	-68.2	-41.5	174.4	-82.7	-173.7	-178.6	-169.7	2.3	112	L676 Q677 H683 Q684	L676-R680 PolarHBondContact O-N 3.13Å; Q677-R680 PolarHBondContact O-N 3.19Å; R680-H683 PolarHBondContact O-N 3.41Å; R680-Q684 PolarHBondContact O-N 2.96Å
681	E	57.9	Low	57.3	Low	115 Å²	115	135.6 Å²	135.6	54%	0.537	66%	0.663	S	S	.	*	H	α-helix	trans	-66.4	-40.7	176.3	-73.2	-170.9	173.2	0	0	112.3	Q677 Q684 R685	Q677-E681 PolarHBondContact O-N 2.83Å; E681-Q684 PolarHBondContact O-N 3.27Å; E681-R685 WeakPolarHBondContact O-CG 3.39Å; E681-R685 PolarHBondContact O-N 2.91Å
682	K	57.6	Low	56.6	Low	146 Å²	146	138.9 Å²	138.9	64%	0.635	67%	0.667	S	S	*	*	H	α-helix	trans	-63.8	-39.3	173.1	-80.7	177.5	177.8	168.9	0	112.3	E678 R685 L686	E678-K682 WeakPolarHBondContact O-CB 2.99Å; E678-K682 PolarHBondContact O-N 2.84Å; K682-R685 PolarHBondContact O-N 2.8Å; K682-L686 WeakPolarHBondContact O-CG 3.26Å; K682-L686 PolarHBondContact O-N 3.1Å; K682-L686 VanDerWaalsContact O-N 3.08Å
683	H	54.8	Low	56	Low	115 Å²	115	141.9 Å²	141.9	53%	0.532	67%	0.665	S	S	.	*	H	α-helix	trans	-68.5	-36.4	175.2	-96.9	87.7	0	0	0	113.4	V679 R680 L686 K687	V679-H683 WeakPolarHBondContact O-CB 3.24Å; V679-H683 PolarHBondContact O-N 2.87Å; V679-H683 PolarHBondContact O-ND1 3.18Å; R680-H683 PolarHBondContact O-N 3.41Å; H683-L686 PolarHBondContact O-N 3.41Å; H683-K687 PolarHBondContact O-N 2.7Å; H683-K687 VanDerWaalsContact O-N 3.12Å
684	Q	54.6	Low	55.1	Low	130 Å²	130	143.4 Å²	143.4	61%	0.607	67%	0.668	S	S	*	*	H	α-helix	trans	-68.5	-38.7	174.2	-81	177.6	-17.5	0	0	111.9	R680 E681 L686 K687 H688	R680-Q684 PolarHBondContact O-N 2.96Å; E681-Q684 PolarHBondContact O-N 3.27Å; Q684-L686 VanDerWaalsContact C-N 3.31Å; Q684-L686 PolarHBondContact O-N 3.03Å; Q684-K687 PolarHBondContact O-N 2.93Å; Q684-H688 PolarHBondContact O-N 3.03Å; Q684-H688 VanDerWaalsContact O-N 3.15Å
685	R	52.2	Low	54.4	Low	188 Å²	188	146.5 Å²	146.5	71%	0.709	66%	0.661	S	S	*	*	H	α-helix	trans	-65.1	-30.8	173.2	-73.7	-177.3	-176.9	-168.9	3.7	113.4	E681 K682	E681-R685 WeakPolarHBondContact O-CG 3.39Å; E681-R685 PolarHBondContact O-N 2.91Å; K682-R685 PolarHBondContact O-N 2.8Å
686	L	52.3	Low	53.9	Low	114 Å²	114	150.1 Å²	150.1	60%	0.597	66%	0.664	S	S	*	*	H	α-helix	trans	-74.3	-31.9	173.7	-79.2	162.4	0	0	0	112.9	K682 H683 Q684 K689	K682-L686 WeakPolarHBondContact O-CG 3.26Å; K682-L686 PolarHBondContact O-N 3.1Å; K682-L686 VanDerWaalsContact O-N 3.08Å; H683-L686 PolarHBondContact O-N 3.41Å; Q684-L686 VanDerWaalsContact C-N 3.31Å; Q684-L686 PolarHBondContact O-N 3.03Å; L686-K689 PolarHBondContact O-N 3.05Å
687	K	51.1	Low	53.7	Low	172 Å²	172	154.4 Å²	154.4	75%	0.748	68%	0.678	S	S	*	*	H	α-helix	trans	-73.3	-27.7	174.5	-78.3	-174.6	176.1	-176.2	0	113.6	H683 Q684 K689	H683-K687 PolarHBondContact O-N 2.7Å; H683-K687 VanDerWaalsContact O-N 3.12Å; Q684-K687 PolarHBondContact O-N 2.93Å; K687-K689 VanDerWaalsContact C-N 3.28Å; K687-K689 PolarHBondContact O-N 3.2Å
688	H	51.7	Low	53.5	Low	178 Å²	178	156 Å²	156	82%	0.824	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-4	173.3	-91.1	-55	0	0	0	114.6	Q684	Q684-H688 PolarHBondContact O-N 3.03Å; Q684-H688 VanDerWaalsContact O-N 3.15Å
689	K	49.6	Very low	53.2	Low	188 Å²	188	158.7 Å²	158.7	82%	0.817	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	11.6	178.1	-96.8	-172.6	175.8	-175.2	0	113.9	L686 K687	L686-K689 PolarHBondContact O-N 3.05Å; K687-K689 VanDerWaalsContact C-N 3.28Å; K687-K689 PolarHBondContact O-N 3.2Å
690	R	40.9	Very low	52.7	Low	297 Å²	297	166.4 Å²	166.4	100%	1.121	71%	0.712	S	S	*	*			trans	-109.4	0	172.8	-93.1	-171.5	176.3	-175.4	-0.4	111.5

Retrieved 690 of 690 residues in 492.2 ms (Link to these results)

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