A0A087YAY1_POEFO Loading...

Lutropin-choriogonadotropic hormone receptor

Receptor for lutropin-choriogonadotropic hormone. The activity of this receptor is mediated by G proteins which activate adenylate cyclase.

AlphaFold DB , UniProt , Accession A0A087YAY1, Species POEFO (Poecilia formosa, Amazon molly), Gene LHCGR, Length 696 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	V	48.7	Very low	52.5	Low	189 Å²	189	138.7 Å²	138.7	100%	1.145	72%	0.718	S	S	*	*				0	63.5	0	-167.7	0	0	0	0	107.6
2	S	40.4	Very low	53.3	Low	104 Å²	104	137.5 Å²	137.5	73%	0.727	71%	0.712	S	S	*	*				65.8	90.9	57.9	-38.9	0	0	0	0	113.2
3	R	47.8	Very low	54.2	Low	248 Å²	248	133.2 Å²	133.2	94%	0.936	70%	0.695	S	S	*	*			trans	49.9	76.6	142.3	-61.5	-179.2	178.2	-176.1	-0.7	117.8
4	M	44.2	Very low	54.7	Low	171 Å²	171	127.1 Å²	127.1	84%	0.842	67%	0.674	S	S	*	*			trans	-148.8	9.6	164.3	-108	177	-173.6	0	0	116.3
5	A	49.2	Very low	55	Low	74 Å²	74	124.9 Å²	124.9	61%	0.612	66%	0.661	S	S	*	*	H	α-helix	trans	-77.7	-33.7	-176.9	0	0	0	0	0	116.9
6	P	53.7	Low	55	Low	89 Å²	89	120.8 Å²	120.8	58%	0.578	65%	0.646	S	S	*	*	H	α-helix	trans	-80	-24.4	-171.8	28.1	-31.1	0	0	0	113.5	W10	P6-W10 VanDerWaalsContact O-CD1 3.32Å; P6-W10 PolarHBondContact O-N 3.46Å
7	R	54.8	Low	55	Low	205 Å²	205	116.3 Å²	116.3	77%	0.774	63%	0.63	S	S	*	*	H	α-helix	trans	-76.6	-35.7	-178.9	-76.2	-176.9	169.5	173	-3.8	113	W10 L11	R7-W10 PolarHBondContact O-N 3.24Å; R7-L11 WeakPolarHBondContact O-CB 3.36Å; R7-L11 PolarHBondContact O-N 3.2Å
8	A	55.7	Low	54.9	Low	53 Å²	53	114.2 Å²	114.2	44%	0.438	62%	0.621	S	S	.	*	H	α-helix	trans	-68.5	-37.8	178.3	0	0	0	0	0	112	L11 L12	A8-L11 PolarHBondContact O-N 3.11Å; A8-L12 WeakPolarHBondContact O-CB 3.33Å; A8-L12 WeakPolarHBondContact O-CG 3.23Å; A8-L12 PolarHBondContact O-N 3.33Å
9	V	60.8	Low	54.8	Low	89 Å²	89	114.1 Å²	114.1	54%	0.539	62%	0.619	S	S	.	*	H	α-helix	trans	-68.3	-42.6	175.3	179	0	0	0	0	110.9	L11 L12 V13	V9-L11 PolarHBondContact O-N 2.89Å; V9-L12 PolarHBondContact O-N 2.84Å; V9-V13 HydrophobicContact CG1-CG2 4.42Å; V9-V13 WeakPolarHBondContact O-CB 3.46Å; V9-V13 VanDerWaalsContact O-CG2 3.26Å; V9-V13 WeakPolarHBondContact O-CG2 3.22Å; V9-V13 PolarHBondContact O-N 3.31Å
10	W	60.3	Low	54.3	Low	199 Å²	199	116.7 Å²	116.7	75%	0.754	62%	0.624	S	S	*	*	H	α-helix	trans	-64.7	-37.1	173.9	-92.1	88.1	0	0	0	112.9	P6 R7 A14	P6-W10 VanDerWaalsContact O-CD1 3.32Å; P6-W10 PolarHBondContact O-N 3.46Å; R7-W10 PolarHBondContact O-N 3.24Å; W10-A14 WeakPolarHBondContact O-CB 3.39Å; W10-A14 PolarHBondContact O-N 3.26Å
11	L	62.3	Low	53.8	Low	105 Å²	105	116.9 Å²	116.9	55%	0.55	63%	0.625	S	S	.	*	H	α-helix	trans	-67.3	-38	173.5	-98.1	148.4	0	0	0	112.3	R7 A8 V9 L15	R7-L11 WeakPolarHBondContact O-CB 3.36Å; R7-L11 PolarHBondContact O-N 3.2Å; A8-L11 PolarHBondContact O-N 3.11Å; V9-L11 PolarHBondContact O-N 2.89Å; L11-L15 HydrophobicContact CD2-CD1 4.06Å; L11-L15 VanDerWaalsContact O-CB 3.24Å; L11-L15 WeakPolarHBondContact O-CB 3.44Å; L11-L15 VanDerWaalsContact O-CD1 3.27Å; L11-L15 WeakPolarHBondContact O-CD1 3.35Å; L11-L15 PolarHBondContact O-N 2.81Å
12	L	62.1	Low	53.5	Low	124 Å²	124	117 Å²	117	65%	0.649	61%	0.605	S	S	*	*	H	α-helix	trans	-70.8	-38.9	175.4	-79.1	161.6	0	0	0	112.1	A8 V9 S16	A8-L12 WeakPolarHBondContact O-CB 3.33Å; A8-L12 WeakPolarHBondContact O-CG 3.23Å; A8-L12 PolarHBondContact O-N 3.33Å; V9-L12 PolarHBondContact O-N 2.84Å; L12-S16 VanDerWaalsContact O-CB 3.27Å; L12-S16 WeakPolarHBondContact O-CB 3.1Å; L12-S16 PolarHBondContact O-N 3.13Å
13	V	65.1	Low	53.6	Low	82 Å²	82	115.7 Å²	115.7	50%	0.497	60%	0.596	S	S	.	*	H	α-helix	trans	-67.2	-43.9	173.8	173.4	0	0	0	0	110.2	V9 S16 A17	V9-V13 HydrophobicContact CG1-CG2 4.42Å; V9-V13 WeakPolarHBondContact O-CB 3.46Å; V9-V13 VanDerWaalsContact O-CG2 3.26Å; V9-V13 WeakPolarHBondContact O-CG2 3.22Å; V9-V13 PolarHBondContact O-N 3.31Å; V13-S16 PolarHBondContact O-N 2.78Å; V13-S16 PolarHBondContact O-OG 3.46Å; V13-A17 WeakPolarHBondContact O-CB 3.15Å; V13-A17 PolarHBondContact O-N 2.84Å
14	A	60.5	Low	53.4	Low	47 Å²	47	106.2 Å²	106.2	39%	0.388	57%	0.567	S	S	.	*	H	α-helix	trans	-66.3	-40.9	175.4	0	0	0	0	0	112	W10 A17 V18	W10-A14 WeakPolarHBondContact O-CB 3.39Å; W10-A14 PolarHBondContact O-N 3.26Å; A14-A17 PolarHBondContact O-N 2.78Å; A14-V18 VanDerWaalsContact O-CB 3.31Å; A14-V18 WeakPolarHBondContact O-CB 3.48Å; A14-V18 WeakPolarHBondContact O-CG2 3.3Å; A14-V18 PolarHBondContact O-N 2.85Å
15	L	59.4	Low	53.5	Low	94 Å²	94	108.5 Å²	108.5	49%	0.492	57%	0.566	S	S	.	*	H	α-helix	trans	-65	-39.5	172.6	-104.5	102.4	0	0	0	111	L11 A17 V18 L19	L11-L15 HydrophobicContact CD2-CD1 4.06Å; L11-L15 VanDerWaalsContact O-CB 3.24Å; L11-L15 WeakPolarHBondContact O-CB 3.44Å; L11-L15 VanDerWaalsContact O-CD1 3.27Å; L11-L15 WeakPolarHBondContact O-CD1 3.35Å; L11-L15 PolarHBondContact O-N 2.81Å; L15-A17 VanDerWaalsContact C-N 3.31Å; L15-A17 PolarHBondContact O-N 3.32Å; L15-V18 PolarHBondContact O-N 3.39Å; L15-L19 HydrophobicContact CD2-CD1 4.39Å; L15-L19 WeakPolarHBondContact O-CB 3Å; L15-L19 WeakPolarHBondContact O-CD1 3.44Å; L15-L19 PolarHBondContact O-N 2.9Å
16	S	54.8	Low	53.6	Low	60 Å²	60	108.1 Å²	108.1	42%	0.42	56%	0.563	S	S	.	*	H	α-helix	trans	-66.4	-34.8	175.6	84.3	0	0	0	0	111.9	L12 V13 K20	L12-S16 VanDerWaalsContact O-CB 3.27Å; L12-S16 WeakPolarHBondContact O-CB 3.1Å; L12-S16 PolarHBondContact O-N 3.13Å; V13-S16 PolarHBondContact O-N 2.78Å; V13-S16 PolarHBondContact O-OG 3.46Å; S16-K20 VanDerWaalsContact O-CB 3.32Å; S16-K20 WeakPolarHBondContact O-CB 3.42Å; S16-K20 WeakPolarHBondContact O-CG 3.37Å; S16-K20 PolarHBondContact O-N 3.15Å
17	A	54.4	Low	54.1	Low	44 Å²	44	106.4 Å²	106.4	36%	0.364	55%	0.545	S	S	.	.	H	α-helix	trans	-71.7	-39.5	174.6	0	0	0	0	0	111.2	V13 A14 L15 K20 L21	V13-A17 WeakPolarHBondContact O-CB 3.15Å; V13-A17 PolarHBondContact O-N 2.84Å; A14-A17 PolarHBondContact O-N 2.78Å; L15-A17 VanDerWaalsContact C-N 3.31Å; L15-A17 PolarHBondContact O-N 3.32Å; A17-K20 PolarHBondContact O-N 2.96Å; A17-L21 WeakPolarHBondContact O-CB 3.37Å; A17-L21 VanDerWaalsContact O-CD1 3.22Å; A17-L21 WeakPolarHBondContact O-CD1 3.24Å; A17-L21 PolarHBondContact O-N 2.8Å
18	V	54.4	Low	54.8	Low	79 Å²	79	102.6 Å²	102.6	48%	0.479	55%	0.545	S	S	.	.	H	α-helix	trans	-72.1	-33.4	175.6	171.9	0	0	0	0	111.5	A14 L15 L21 R22	A14-V18 VanDerWaalsContact O-CB 3.31Å; A14-V18 WeakPolarHBondContact O-CB 3.48Å; A14-V18 WeakPolarHBondContact O-CG2 3.3Å; A14-V18 PolarHBondContact O-N 2.85Å; L15-V18 PolarHBondContact O-N 3.39Å; V18-L21 PolarHBondContact O-N 3.42Å; V18-R22 VanDerWaalsContact O-CB 3.3Å; V18-R22 WeakPolarHBondContact O-CB 3.34Å; V18-R22 WeakPolarHBondContact O-CG 3.4Å; V18-R22 PolarHBondContact O-N 2.83Å
19	L	52	Low	55.9	Low	112 Å²	112	102.6 Å²	102.6	59%	0.586	54%	0.541	S	S	*	.	H	α-helix	trans	-71.2	-38.5	171.7	-89.6	145.9	0	0	0	111.6	L15 L21 R22 S23	L15-L19 HydrophobicContact CD2-CD1 4.39Å; L15-L19 WeakPolarHBondContact O-CB 3Å; L15-L19 WeakPolarHBondContact O-CD1 3.44Å; L15-L19 PolarHBondContact O-N 2.9Å; L19-L21 VanDerWaalsContact C-N 3.33Å; L19-R22 PolarHBondContact O-N 3.5Å; L19-S23 PolarHBondContact O-N 3.3Å
20	K	45.8	Very low	56.8	Low	165 Å²	165	99.6 Å²	99.6	72%	0.717	52%	0.524	S	S	*	.	H	α-helix	trans	-66.5	-31.1	168.1	-84.6	-177.5	175.3	-179.8	0	113	S16 A17 S23	S16-K20 VanDerWaalsContact O-CB 3.32Å; S16-K20 WeakPolarHBondContact O-CB 3.42Å; S16-K20 WeakPolarHBondContact O-CG 3.37Å; S16-K20 PolarHBondContact O-N 3.15Å; A17-K20 PolarHBondContact O-N 2.96Å; K20-S23 PolarHBondContact O-OG 3.02Å; K20-S23 VanDerWaalsContact O-OG 3.1Å
21	L	44	Very low	57.6	Low	122 Å²	122	93.4 Å²	93.4	64%	0.639	51%	0.514	S	S	*	.	H	α-helix	trans	-76.5	-33	173.1	-103.8	87.1	0	0	0	112.1	A17 V18 L19 C24	A17-L21 WeakPolarHBondContact O-CB 3.37Å; A17-L21 VanDerWaalsContact O-CD1 3.22Å; A17-L21 WeakPolarHBondContact O-CD1 3.24Å; A17-L21 PolarHBondContact O-N 2.8Å; V18-L21 PolarHBondContact O-N 3.42Å; L19-L21 VanDerWaalsContact C-N 3.33Å; L21-C24 PolarHBondContact O-N 3.17Å
22	R	41.4	Very low	58.5	Low	191 Å²	191	89.4 Å²	89.4	72%	0.721	49%	0.493	S	S	*	.	H	α-helix	trans	-72.9	-23.1	-180	-87.3	-174.7	173.4	-170.1	-1.5	113.7	V18 L19 C24 W25	V18-R22 VanDerWaalsContact O-CB 3.3Å; V18-R22 WeakPolarHBondContact O-CB 3.34Å; V18-R22 WeakPolarHBondContact O-CG 3.4Å; V18-R22 PolarHBondContact O-N 2.83Å; L19-R22 PolarHBondContact O-N 3.5Å; R22-C24 PolarHBondContact O-N 3.5Å; R22-W25 PolarHBondContact O-N 3.44Å
23	S	42	Very low	59.6	Low	77 Å²	77	84 Å²	84	54%	0.538	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-6.1	174.9	61.1	0	0	0	0	114.2	L19 K20	L19-S23 PolarHBondContact O-N 3.3Å; K20-S23 PolarHBondContact O-OG 3.02Å; K20-S23 VanDerWaalsContact O-OG 3.1Å
24	C	45.1	Very low	60.6	Low	48 Å²	48	88.7 Å²	88.7	32%	0.324	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	0.8	176.3	-92.5	0	0	0	0	115.2	L21 R22	L21-C24 PolarHBondContact O-N 3.17Å; R22-C24 PolarHBondContact O-N 3.5Å
25	W	45.3	Very low	61.7	Low	220 Å²	220	88.6 Å²	88.6	83%	0.833	47%	0.47	S	S	*	.	S	Bend	trans	-107.6	24.4	-167.3	-71.8	76.9	0	0	0	115.7	R22	R22-W25 PolarHBondContact O-N 3.44Å
26	A	51.3	Low	62.8	Low	65 Å²	65	88 Å²	88	54%	0.537	47%	0.474	S	S	.	.			trans	-122.8	26.6	170	0	0	0	0	0	112.7	T28	A26-T28 PolarHBondContact O-N 3.44Å
27	Y	65.3	Low	63.8	Low	54 Å²	54	89.1 Å²	89.1	21%	0.212	49%	0.487	C	S	.	.			trans	-79.1	108.9	173.4	180	-109.9	0	0	0	111	C29 C35 L65 P66	Y27-C29 HydrophobicContact CE1-CB 3.93Å; Y27-C35 HydrophobicContact CE1-CB 4.03Å; Y27-C35 PolarHBondContact OH-SG 3.48Å; Y27-L65 HydrophobicContact CD2-CD2 4.14Å; Y27-L65 HydrophobicContact CE2-CD2 3.29Å; Y27-L65 HydrophobicContact CE2-CG 4.23Å; Y27-P66 HydrophobicContact CD1-CG 4.24Å; Y27-P66 HydrophobicContact CG-CG 4.13Å
28	T	69.1	Low	65	Low	125 Å²	125	93.3 Å²	93.3	77%	0.767	50%	0.504	S	S	*	.			trans	-97.2	112.5	165.6	51.2	0	0	0	0	109.3	A26	A26-T28 PolarHBondContact O-N 3.44Å
29	C	77.8	Confident	66.5	Low	52 Å²	52	92.6 Å²	92.6	35%	0.351	50%	0.5	S	S	.	.			trans	-59.2	126.9	174.4	-178.4	0	0	0	0	110.1	Y27 C33 C35	Y27-C29 HydrophobicContact CE1-CB 3.93Å; C29-C33 PolarHBondContact SG-O 3.32Å; C29-C33 VanDerWaalsContact SG-O 3.35Å; C29-C35 HydrophobicContact CB-CB 3.67Å; C29-C35 WeakPolarHBondContact CB-SG 3.43Å; C29-C35 WeakPolarHBondContact SG-CB 3.27Å; C29-C35 PolarHBondContact SG-N 2.91Å; C29-C35 CovalentContact SG-SG 2.03Å; C29-C35 PolarHBondContact SG-SG 3.26Å
30	P	81.4	Confident	68.4	Low	27 Å²	27	87.3 Å²	87.3	18%	0.175	47%	0.472	C	S	.	.			trans	-59.9	141.8	176.4	-20	29.7	0	0	0	111.2	I32 C33 L60 L62	P30-I32 PolarHBondContact O-N 2.9Å; P30-C33 HydrophobicContact CB-CB 4.4Å; P30-C33 PolarHBondContact O-N 3.27Å; P30-C33 VanDerWaalsContact O-O 3.12Å; P30-L60 HydrophobicContact CB-CD1 4.12Å; P30-L60 HydrophobicContact CG-CD1 4.26Å; P30-L62 HydrophobicContact CG-CD2 3.64Å
31	A	75.4	Confident	70.4	Confident	68 Å²	68	83.8 Å²	83.8	56%	0.562	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-21.7	-179.3	0	0	0	0	0	114.1	C33 S50	A31-C33 VanDerWaalsContact C-N 3.28Å; A31-S50 WeakPolarHBondContact CB-OG 3.32Å
32	I	81.7	Confident	72.6	Confident	21 Å²	21	78 Å²	78	11%	0.108	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-5.8	179.2	-55.1	168.6	0	0	0	111.4	P30 T46 Q47 A57 I81	P30-I32 PolarHBondContact O-N 2.9Å; I32-T46 VanDerWaalsContact O-CB 3.25Å; I32-T46 WeakPolarHBondContact O-CB 3.3Å; I32-T46 PolarHBondContact O-OG1 3.07Å; I32-Q47 HydrophobicContact CG2-CB 3.82Å; I32-Q47 HydrophobicContact CG2-CG 4.02Å; I32-A57 HydrophobicContact CD1-CB 4.21Å; I32-I81 HydrophobicContact CD1-CD1 4.21Å
33	C	84.9	Confident	74.7	Confident	10 Å²	10	69.6 Å²	69.6	7%	0.068	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	148.4	-174.9	-54.4	0	0	0	0	111	C29 P30 A31 Q41 C42	C29-C33 PolarHBondContact SG-O 3.32Å; C29-C33 VanDerWaalsContact SG-O 3.35Å; P30-C33 HydrophobicContact CB-CB 4.4Å; P30-C33 PolarHBondContact O-N 3.27Å; P30-C33 VanDerWaalsContact O-O 3.12Å; A31-C33 VanDerWaalsContact C-N 3.28Å; C33-Q41 CarbonylContact C-O 3.57Å; C33-Q41 WeakPolarHBondContact CA-O 3.45Å; C33-C42 HydrophobicContact CB-CB 4.04Å; C33-C42 WeakPolarHBondContact CB-SG 3.43Å; C33-C42 WeakPolarHBondContact SG-CB 3.3Å; C33-C42 CovalentContact SG-SG 2.04Å; C33-C42 PolarHBondContact SG-SG 3.48Å
34	R	85.8	Confident	76.7	Confident	181 Å²	181	71.5 Å²	71.5	68%	0.683	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	120.1	164.7	-79.2	175	-177	172	4	108.2	F40 Q41 T46	R34-F40 CarbonylContact O-C 3.08Å; R34-F40 VanDerWaalsContact O-CA 3.3Å; R34-F40 WeakPolarHBondContact O-CA 3.19Å; R34-Q41 PolarHBondContact N-O 2.78Å; R34-Q41 PolarHBondContact O-N 3.45Å; R34-T46 HydrophobicContact CB-CG2 4.5Å; R34-T46 HydrophobicContact CG-CG2 3.67Å
35	C	84.8	Confident	78.5	Confident	45 Å²	45	74.6 Å²	74.6	30%	0.304	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	135.5	178.8	-47.1	0	0	0	0	110.2	Y27 C29 F40	Y27-C35 HydrophobicContact CE1-CB 4.03Å; Y27-C35 PolarHBondContact OH-SG 3.48Å; C29-C35 HydrophobicContact CB-CB 3.67Å; C29-C35 WeakPolarHBondContact CB-SG 3.43Å; C29-C35 WeakPolarHBondContact SG-CB 3.27Å; C29-C35 PolarHBondContact SG-N 2.91Å; C29-C35 CovalentContact SG-SG 2.03Å; C29-C35 PolarHBondContact SG-SG 3.26Å; C35-F40 HydrophobicContact CB-CB 4.4Å
36	S	82.4	Confident	80.2	Confident	81 Å²	81	64.5 Å²	64.5	57%	0.566	37%	0.37	S	S	*	.			trans	-114.6	176	170.2	-174.8	0	0	0	0	108.9	D38 T39	S36-D38 PolarHBondContact O-N 3.06Å; S36-T39 PolarHBondContact N-O 3.49Å
37	A	75.7	Confident	81.4	Confident	84 Å²	84	62.2 Å²	62.2	69%	0.694	35%	0.348	S	S	*	.	S	Bend	trans	-55.1	-35.2	177.6	0	0	0	0	0	112.6	L67	A37-L67 WeakPolarHBondContact O-CD2 3.45Å
38	D	80	Confident	81.9	Confident	133 Å²	133	65.7 Å²	65.7	71%	0.711	37%	0.369	S	S	*	.	S	Bend	trans	-121	-2.2	-171.2	-61.2	-40.7	0	0	0	115	S36 L67	S36-D38 PolarHBondContact O-N 3.06Å; D38-L67 VanDerWaalsContact C-CD2 3.41Å
39	T	86.3	Confident	82	Confident	64 Å²	64	63.2 Å²	63.2	39%	0.393	36%	0.362	S	S	.	.			trans	-153.8	156.5	-176.1	-174.9	0	0	0	0	112.1	S36	S36-T39 PolarHBondContact N-O 3.49Å
40	F	89.9	Confident	81.6	Confident	1 Å²	1	61.4 Å²	61.4	0%	0.004	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	148	168.5	76.6	-80	0	0	0	110.2	R34 C35 L62 L65 L67 V70 P71 A74 F75	R34-F40 CarbonylContact O-C 3.08Å; R34-F40 VanDerWaalsContact O-CA 3.3Å; R34-F40 WeakPolarHBondContact O-CA 3.19Å; C35-F40 HydrophobicContact CB-CB 4.4Å; F40-L62 HydrophobicContact CD2-CD1 4.43Å; F40-L62 HydrophobicContact CE2-CD1 3.51Å; F40-L62 HydrophobicContact CZ-CD1 3.69Å; F40-L65 HydrophobicContact CE1-CD1 4.3Å; F40-L67 HydrophobicContact CB-CD1 4.28Å; F40-L67 HydrophobicContact CD1-CD1 3.42Å; F40-L67 VanDerWaalsContact CD1-CD1 3.42Å; F40-L67 HydrophobicContact CE1-CD1 4.2Å; F40-L67 HydrophobicContact CG-CD1 4.28Å; F40-V70 HydrophobicContact CE1-CG1 4.26Å; F40-V70 HydrophobicContact CZ-CG1 4.05Å; F40-P71 HydrophobicContact CD1-CG 4.37Å; F40-P71 HydrophobicContact CE1-CG 4.47Å; F40-P71 VanDerWaalsContact O-CG 3.3Å; F40-P71 WeakPolarHBondContact O-CG 3.47Å; F40-A74 HydrophobicContact CE2-CB 4.05Å; F40-A74 HydrophobicContact CZ-CB 3.98Å; F40-F75 AromaticContact CE2-CE1 3.89Å; F40-F75 HydrophobicContact CE2-CE1 3.89Å; F40-F75 AromaticContact CE2-CZ 3.88Å; F40-F75 HydrophobicContact CE2-CZ 3.88Å; F40-F75 HydrophobicContact CZ-CZ 4.1Å
41	Q	89.6	Confident	80.4	Confident	90 Å²	90	72 Å²	72	42%	0.421	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	129.7	174.7	-172.3	171.9	40.1	0	0	110.4	C33 R34 H73 A74	C33-Q41 CarbonylContact C-O 3.57Å; C33-Q41 WeakPolarHBondContact CA-O 3.45Å; R34-Q41 PolarHBondContact N-O 2.78Å; R34-Q41 PolarHBondContact O-N 3.45Å; Q41-H73 PolarHBondContact NE2-O 2.96Å; Q41-A74 WeakPolarHBondContact CA-O 3.26Å
42	C	88.9	Confident	79.3	Confident	0 Å²	0	74 Å²	74	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	117.4	174.9	-40.8	0	0	0	0	108.1	C33 L60 A74 F75 K76 L78	C33-C42 HydrophobicContact CB-CB 4.04Å; C33-C42 WeakPolarHBondContact CB-SG 3.43Å; C33-C42 WeakPolarHBondContact SG-CB 3.3Å; C33-C42 CovalentContact SG-SG 2.04Å; C33-C42 PolarHBondContact SG-SG 3.48Å; C42-L60 HydrophobicContact CB-CD2 4.42Å; C42-A74 PolarHBondContact N-O 3.01Å; C42-F75 HydrophobicContact CB-CD1 4.16Å; C42-F75 WeakPolarHBondContact O-CA 3.41Å; C42-K76 PolarHBondContact O-N 3.46Å; C42-L78 HydrophobicContact CB-CD2 4.32Å
43	S	86.9	Confident	77.8	Confident	16 Å²	16	75.1 Å²	75.1	11%	0.112	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	169	-178.1	73.1	0	0	0	0	112.6	D45 T46 Q47 K76	S43-D45 PolarHBondContact O-N 3.42Å; S43-D45 PolarHBondContact OG-N 2.73Å; S43-T46 PolarHBondContact N-OG1 3.29Å; S43-T46 PolarHBondContact O-N 2.86Å; S43-T46 PolarHBondContact O-OG1 2.82Å; S43-T46 PolarHBondContact OG-N 3.3Å; S43-Q47 WeakPolarHBondContact O-CB 3.41Å; S43-Q47 PolarHBondContact O-N 3.35Å; S43-K76 VanDerWaalsContact CA-O 3.3Å; S43-K76 WeakPolarHBondContact CA-O 3.37Å
44	R	83.8	Confident	75.8	Confident	117 Å²	117	79.3 Å²	79.3	44%	0.442	44%	0.439	S	S	.	.	H	α-helix	trans	-50.6	-43.9	169.8	-171.9	-172.8	177.5	164.2	6.1	112.7	T46 Q47 L48 K76 E77 I79	R44-T46 PolarHBondContact O-N 2.82Å; R44-Q47 WeakPolarHBondContact O-CB 3.24Å; R44-Q47 PolarHBondContact O-N 2.77Å; R44-L48 HydrophobicContact CG-CD1 3.84Å; R44-L48 PolarHBondContact O-N 2.9Å; R44-K76 PolarHBondContact N-O 3.29Å; R44-E77 HydrophobicContact CB-CB 4.41Å; R44-I79 HydrophobicContact CG-CD1 3.72Å; R44-I79 HydrophobicContact CG-CG1 4.23Å
45	D	82.1	Confident	74	Confident	112 Å²	112	75.7 Å²	75.7	60%	0.599	44%	0.437	S	S	*	.	H	α-helix	trans	-66.2	-40.6	-176.5	-55.8	-39.9	0	0	0	111.8	S43 Q47 L48 A49	S43-D45 PolarHBondContact O-N 3.42Å; S43-D45 PolarHBondContact OG-N 2.73Å; D45-Q47 VanDerWaalsContact C-N 3.33Å; D45-L48 PolarHBondContact O-N 3.49Å; D45-A49 VanDerWaalsContact O-CB 3.29Å; D45-A49 WeakPolarHBondContact O-CB 3.26Å; D45-A49 PolarHBondContact O-N 2.73Å
46	T	80.6	Confident	72.5	Confident	9 Å²	9	78.6 Å²	78.6	6%	0.055	46%	0.458	C	S	.	.	H	α-helix	trans	-71.6	-31.7	177.1	54.1	0	0	0	0	111.5	I32 R34 S43 R44 S50	I32-T46 VanDerWaalsContact O-CB 3.25Å; I32-T46 WeakPolarHBondContact O-CB 3.3Å; I32-T46 PolarHBondContact O-OG1 3.07Å; R34-T46 HydrophobicContact CB-CG2 4.5Å; R34-T46 HydrophobicContact CG-CG2 3.67Å; S43-T46 PolarHBondContact N-OG1 3.29Å; S43-T46 PolarHBondContact O-N 2.86Å; S43-T46 PolarHBondContact O-OG1 2.82Å; S43-T46 PolarHBondContact OG-N 3.3Å; R44-T46 PolarHBondContact O-N 2.82Å; T46-S50 PolarHBondContact O-N 2.84Å
47	Q	77.4	Confident	71.4	Confident	17 Å²	17	76.9 Å²	76.9	8%	0.079	45%	0.449	C	S	.	.	H	α-helix	trans	-65.1	-44.5	172.1	-169.4	172	9.5	0	0	112.4	I32 S43 R44 D45 A53	I32-Q47 HydrophobicContact CG2-CB 3.82Å; I32-Q47 HydrophobicContact CG2-CG 4.02Å; S43-Q47 WeakPolarHBondContact O-CB 3.41Å; S43-Q47 PolarHBondContact O-N 3.35Å; R44-Q47 WeakPolarHBondContact O-CB 3.24Å; R44-Q47 PolarHBondContact O-N 2.77Å; D45-Q47 VanDerWaalsContact C-N 3.33Å; Q47-A53 WeakPolarHBondContact O-CB 3.27Å
48	L	76.1	Confident	71.6	Confident	126 Å²	126	77.5 Å²	77.5	66%	0.66	44%	0.44	S	S	*	.	H	α-helix	trans	-70.3	-33.8	178.1	-78.4	156.1	0	0	0	113	R44 D45 S50	R44-L48 HydrophobicContact CG-CD1 3.84Å; R44-L48 PolarHBondContact O-N 2.9Å; D45-L48 PolarHBondContact O-N 3.49Å; L48-S50 VanDerWaalsContact C-N 3.3Å; L48-S50 PolarHBondContact O-N 3.49Å
49	A	70.2	Confident	72	Confident	74 Å²	74	76.3 Å²	76.3	61%	0.612	43%	0.425	S	S	*	.	H	α-helix	trans	-73.9	-20.1	179.6	0	0	0	0	0	113.6	D45 R51	D45-A49 VanDerWaalsContact O-CB 3.29Å; D45-A49 WeakPolarHBondContact O-CB 3.26Å; D45-A49 PolarHBondContact O-N 2.73Å; A49-R51 PolarHBondContact O-N 3.29Å
50	S	69	Low	72.1	Confident	14 Å²	14	73.5 Å²	73.5	10%	0.098	41%	0.408	C	S	.	.			trans	-72.7	106.6	179.2	-175	0	0	0	0	110.4	A31 T46 L48 T52 A53	A31-S50 WeakPolarHBondContact CB-OG 3.32Å; T46-S50 PolarHBondContact O-N 2.84Å; L48-S50 VanDerWaalsContact C-N 3.3Å; L48-S50 PolarHBondContact O-N 3.49Å; S50-T52 PolarHBondContact O-N 3.45Å; S50-T52 PolarHBondContact OG-OG1 2.89Å; S50-T52 VanDerWaalsContact OG-OG1 3.12Å; S50-A53 WeakPolarHBondContact O-CB 3.34Å; S50-A53 PolarHBondContact O-N 2.81Å
51	R	56.2	Low	72	Confident	250 Å²	250	80 Å²	80	94%	0.943	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-11.5	-178.9	-69.5	-176.7	175.4	-179.7	-1.9	114.4	A49	A49-R51 PolarHBondContact O-N 3.29Å
52	T	53.1	Low	72	Confident	109 Å²	109	75.9 Å²	75.9	67%	0.669	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-0.5	173.5	38	0	0	0	0	113.8	S50 A54	S50-T52 PolarHBondContact O-N 3.45Å; S50-T52 PolarHBondContact OG-OG1 2.89Å; S50-T52 VanDerWaalsContact OG-OG1 3.12Å; T52-A54 PolarHBondContact O-N 3.28Å
53	A	50.8	Low	71.8	Confident	44 Å²	44	78.6 Å²	78.6	36%	0.364	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	8.1	-178.7	0	0	0	0	0	114.8	Q47 S50 T55	Q47-A53 WeakPolarHBondContact O-CB 3.27Å; S50-A53 WeakPolarHBondContact O-CB 3.34Å; S50-A53 PolarHBondContact O-N 2.81Å; A53-T55 PolarHBondContact O-N 2.8Å
54	A	42.6	Very low	71.6	Confident	98 Å²	98	82.2 Å²	82.2	81%	0.81	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-4.5	176.3	0	0	0	0	0	113.9	T52	T52-A54 PolarHBondContact O-N 3.28Å
55	T	47.1	Very low	71.5	Confident	105 Å²	105	76.8 Å²	76.8	64%	0.644	43%	0.425	S	S	*	.	S	Bend	trans	-139	110	173.6	49	0	0	0	0	111.8	A53 A57	A53-T55 PolarHBondContact O-N 2.8Å; T55-A57 PolarHBondContact O-N 3.37Å
56	S	54.8	Low	71.4	Confident	107 Å²	107	73.8 Å²	73.8	75%	0.748	41%	0.412	S	S	*	.			trans	53	25.6	140.4	65	0	0	0	0	121.2	L58	S56-L58 VanDerWaalsContact C-N 3.35Å; S56-L58 PolarHBondContact O-N 3.44Å
57	A	58	Low	71.6	Confident	45 Å²	45	73.8 Å²	73.8	37%	0.372	41%	0.411	S	S	.	.			trans	-72.7	88.2	171	0	0	0	0	0	111.3	I32 T55 I81	I32-A57 HydrophobicContact CD1-CB 4.21Å; T55-A57 PolarHBondContact O-N 3.37Å; A57-I81 WeakPolarHBondContact O-CD1 3.08Å
58	L	81.1	Confident	72.1	Confident	97 Å²	97	80.4 Å²	80.4	51%	0.508	44%	0.44	S	S	.	.			trans	-80.7	-18.2	174.2	-79.9	137.7	0	0	0	113	S56 T82 I83	S56-L58 VanDerWaalsContact C-N 3.35Å; S56-L58 PolarHBondContact O-N 3.44Å; L58-T82 HydrophobicContact CD2-CG2 3.63Å; L58-T82 WeakPolarHBondContact CD2-OG1 3.29Å; L58-T82 PolarHBondContact O-N 3.37Å; L58-T82 PolarHBondContact O-OG1 3.47Å; L58-T82 VanDerWaalsContact O-OG1 3.11Å; L58-I83 PolarHBondContact O-N 3.1Å
59	R	86.8	Confident	72.8	Confident	107 Å²	107	78.3 Å²	78.3	40%	0.404	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	125.9	-170.3	-176.3	170.7	-168	153.8	1.5	112	R61 I83 E85	R59-R61 HydrophobicContact CG-CG 4.24Å; R59-R61 VanDerWaalsContact NH2-NH2 3.17Å; R59-I83 CarbonylContact C-O 3.44Å; R59-I83 WeakPolarHBondContact CA-O 3.01Å; R59-I83 HydrophobicContact CB-CB 4.08Å; R59-I83 HydrophobicContact CG-CB 3.87Å; R59-I83 HydrophobicContact CG-CG2 3.83Å; R59-E85 IonicContact CZ-OE2 3.61Å; R59-E85 IonicContact NE-OE2 2.88Å; R59-E85 PolarHBondContact NE-OE2 2.94Å; R59-E85 IonicContact NH2-OE2 3.42Å; R59-E85 PolarHBondContact NH2-OE2 2.87Å
60	L	89.2	Confident	73.9	Confident	6 Å²	6	74.8 Å²	74.8	3%	0.031	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	115.2	172	-178.4	60.9	0	0	0	109.5	P30 C42 L62 F75 I81 I83 I84 E85	P30-L60 HydrophobicContact CB-CD1 4.12Å; P30-L60 HydrophobicContact CG-CD1 4.26Å; C42-L60 HydrophobicContact CB-CD2 4.42Å; L60-L62 HydrophobicContact CD1-CD2 4.45Å; L60-L62 HydrophobicContact CG-CG 4.43Å; L60-F75 HydrophobicContact CD2-CD1 3.94Å; L60-F75 HydrophobicContact CD2-CE1 3.6Å; L60-I81 HydrophobicContact CB-CD1 4.19Å; L60-I81 HydrophobicContact CB-CG2 4.01Å; L60-I83 PolarHBondContact N-O 3.23Å; L60-I84 HydrophobicContact CB-CG1 4.35Å; L60-I84 HydrophobicContact CD2-CG1 4.48Å; L60-I84 WeakPolarHBondContact O-CA 3.47Å; L60-E85 PolarHBondContact O-N 3.04Å
61	R	88.5	Confident	75	Confident	138 Å²	138	74.8 Å²	74.8	52%	0.521	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	127.2	174.6	-76.3	-177.3	168	158.5	0.5	110.5	R59 E85	R59-R61 HydrophobicContact CG-CG 4.24Å; R59-R61 VanDerWaalsContact NH2-NH2 3.17Å; R61-E85 HydrophobicContact CG-CB 4.13Å; R61-E85 WeakPolarHBondContact CG-OE2 3.27Å; R61-E85 IonicContact CZ-OE2 2.69Å; R61-E85 IonicContact NE-OE2 3.28Å; R61-E85 PolarHBondContact NE-OE2 3.16Å; R61-E85 IonicContact NH2-OE2 2.77Å
62	L	88.3	Confident	76.8	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.01	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	97	175.7	-61.8	175.6	0	0	0	108.6	P30 F40 L60 L65 F75 E85 I86 S87	P30-L62 HydrophobicContact CG-CD2 3.64Å; F40-L62 HydrophobicContact CD2-CD1 4.43Å; F40-L62 HydrophobicContact CE2-CD1 3.51Å; F40-L62 HydrophobicContact CZ-CD1 3.69Å; L60-L62 HydrophobicContact CD1-CD2 4.45Å; L60-L62 HydrophobicContact CG-CG 4.43Å; L62-L65 HydrophobicContact CB-CD1 3.85Å; L62-L65 HydrophobicContact CB-CG 4.31Å; L62-L65 HydrophobicContact CD1-CD1 4.38Å; L62-F75 HydrophobicContact CD1-CE1 3.83Å; L62-F75 HydrophobicContact CD1-CZ 3.62Å; L62-E85 PolarHBondContact N-O 3.19Å; L62-I86 HydrophobicContact CD1-CG1 4.28Å; L62-I86 WeakPolarHBondContact O-CA 3.31Å; L62-S87 PolarHBondContact O-N 2.99Å
63	T	86.1	Confident	78.6	Confident	58 Å²	58	63.5 Å²	63.5	36%	0.356	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	145	-179.8	52.3	0	0	0	0	110.9	L65 S87	T63-L65 VanDerWaalsContact C-N 3.32Å; T63-L65 PolarHBondContact O-N 2.03Å; T63-S87 WeakPolarHBondContact CA-O 3.4Å
64	Q	82.9	Confident	80.4	Confident	91 Å²	91	61.4 Å²	61.4	43%	0.425	33%	0.333	S	S	.	.	S	Bend	trans	55	43.4	173.9	-58.8	178.7	-17.8	0	0	113.6	P66 S87 Q88	Q64-P66 WeakPolarHBondContact O-CD 3.2Å; Q64-S87 PolarHBondContact N-O 3.33Å; Q64-Q88 WeakPolarHBondContact CA-O 3.41Å; Q64-Q88 PolarHBondContact N-O 3.32Å
65	L	80.3	Confident	82.8	Confident	3 Å²	3	56.8 Å²	56.8	2%	0.016	30%	0.295	C	S	.	.			trans	-67.2	124.9	177.1	-75.9	166.9	0	0	0	109.8	Y27 F40 L62 T63 L67 I86 S89 I92	Y27-L65 HydrophobicContact CD2-CD2 4.14Å; Y27-L65 HydrophobicContact CE2-CD2 3.29Å; Y27-L65 HydrophobicContact CE2-CG 4.23Å; F40-L65 HydrophobicContact CE1-CD1 4.3Å; L62-L65 HydrophobicContact CB-CD1 3.85Å; L62-L65 HydrophobicContact CB-CG 4.31Å; L62-L65 HydrophobicContact CD1-CD1 4.38Å; T63-L65 VanDerWaalsContact C-N 3.32Å; T63-L65 PolarHBondContact O-N 2.03Å; L65-L67 HydrophobicContact CD2-CD1 4.36Å; L65-L67 PolarHBondContact O-N 3.35Å; L65-L67 VanDerWaalsContact O-N 3.13Å; L65-I86 HydrophobicContact CD1-CG2 4.24Å; L65-S89 PolarHBondContact N-OG 2.99Å; L65-I92 HydrophobicContact CB-CD1 4.03Å; L65-I92 HydrophobicContact CB-CG1 4.43Å; L65-I92 HydrophobicContact CD1-CD1 3.74Å
66	P	80.8	Confident	84.6	Confident	50 Å²	50	56.7 Å²	56.7	33%	0.325	29%	0.286	S	S	.	.			trans	-77	6.9	177.7	33.2	-35.6	0	0	0	112.8	Y27 Q64	Y27-P66 HydrophobicContact CD1-CG 4.24Å; Y27-P66 HydrophobicContact CG-CG 4.13Å; Q64-P66 WeakPolarHBondContact O-CD 3.2Å
67	L	85.1	Confident	86	Confident	8 Å²	8	56.9 Å²	56.9	4%	0.042	28%	0.275	C	S	.	.			trans	-89.6	144.9	-171.9	-61.5	174.1	0	0	0	111.5	A37 D38 F40 L65 Q69 C91 I92	A37-L67 WeakPolarHBondContact O-CD2 3.45Å; D38-L67 VanDerWaalsContact C-CD2 3.41Å; F40-L67 HydrophobicContact CB-CD1 4.28Å; F40-L67 HydrophobicContact CD1-CD1 3.42Å; F40-L67 VanDerWaalsContact CD1-CD1 3.42Å; F40-L67 HydrophobicContact CE1-CD1 4.2Å; F40-L67 HydrophobicContact CG-CD1 4.28Å; L65-L67 HydrophobicContact CD2-CD1 4.36Å; L65-L67 PolarHBondContact O-N 3.35Å; L65-L67 VanDerWaalsContact O-N 3.13Å; L67-Q69 VanDerWaalsContact C-N 3.33Å; L67-C91 CarbonylContact O-C 3.34Å; L67-C91 WeakPolarHBondContact O-CB 3.45Å; L67-I92 WeakPolarHBondContact O-CA 3.37Å; L67-I92 WeakPolarHBondContact O-CG1 3.32Å; L67-I92 PolarHBondContact O-N 2.9Å
68	K	87.2	Confident	87.2	Confident	157 Å²	157	55.2 Å²	55.2	68%	0.683	26%	0.259	S	S	*	.	S	Bend	trans	-75	-22.7	176	-71	-174.9	179.7	177	0	113.5	C91 T93	K68-C91 WeakPolarHBondContact CA-O 3.4Å; K68-T93 PolarHBondContact O-N 3.03Å; K68-T93 PolarHBondContact O-OG1 3.13Å
69	Q	91.4	Very high	87.1	Confident	81 Å²	81	54.1 Å²	54.1	38%	0.379	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	149.4	-172.7	62.6	-168.4	8.7	0	0	112	L67 H94	L67-Q69 VanDerWaalsContact C-N 3.33Å; Q69-H94 CarbonylContact C-O 3.58Å; Q69-H94 VanDerWaalsContact CA-O 3.24Å; Q69-H94 WeakPolarHBondContact CA-O 3.42Å; Q69-H94 HydrophobicContact CB-CB 4.38Å
70	V	93.1	Very high	86.9	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	117	164.5	-179.9	0	0	0	0	107.3	F40 A74 I86 I92 H94 I95 Q96 A99	F40-V70 HydrophobicContact CE1-CG1 4.26Å; F40-V70 HydrophobicContact CZ-CG1 4.05Å; V70-A74 HydrophobicContact CG1-CB 3.91Å; V70-I86 HydrophobicContact CG2-CD1 4.08Å; V70-I92 HydrophobicContact CG2-CD1 4.24Å; V70-I92 HydrophobicContact CG2-CG2 4.29Å; V70-H94 PolarHBondContact N-O 3.38Å; V70-I95 HydrophobicContact CB-CB 4.44Å; V70-I95 HydrophobicContact CB-CG1 4.21Å; V70-I95 HydrophobicContact CB-CG2 4.24Å; V70-I95 HydrophobicContact CG1-CG2 4.48Å; V70-I95 HydrophobicContact CG2-CG1 4.04Å; V70-Q96 WeakPolarHBondContact O-CB 3.44Å; V70-Q96 WeakPolarHBondContact O-CG 3.3Å; V70-Q96 PolarHBondContact O-N 3.17Å; V70-A99 HydrophobicContact CG1-CB 3.96Å
71	P	92.9	Very high	86.8	Confident	14 Å²	14	53.5 Å²	53.5	9%	0.091	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-73.8	157.6	-170.4	28.8	-33.7	0	0	0	113.1	F40 H73 A74	F40-P71 HydrophobicContact CD1-CG 4.37Å; F40-P71 HydrophobicContact CE1-CG 4.47Å; F40-P71 VanDerWaalsContact O-CG 3.3Å; F40-P71 WeakPolarHBondContact O-CG 3.47Å; P71-H73 PolarHBondContact O-N 3.34Å; P71-A74 HydrophobicContact CG-CB 3.97Å; P71-A74 WeakPolarHBondContact O-CB 3.05Å; P71-A74 PolarHBondContact O-N 2.63Å
72	T	92.4	Very high	86.9	Confident	48 Å²	48	48.7 Å²	48.7	29%	0.294	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	133	166.8	-46.2	0	0	0	0	109.5	A74 Q96 K97 H98	T72-A74 PolarHBondContact O-N 3.45Å; T72-Q96 PolarHBondContact OG1-OE1 2.66Å; T72-Q96 VanDerWaalsContact OG1-OE1 3.11Å; T72-K97 WeakPolarHBondContact CA-O 3.15Å; T72-K97 VanDerWaalsContact CG2-O 3.23Å; T72-K97 WeakPolarHBondContact CG2-O 3.46Å; T72-H98 HydrophobicContact CG2-CB 4.09Å
73	H	91.3	Very high	87.2	Confident	74 Å²	74	50.1 Å²	50.1	34%	0.343	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	34.9	-178.5	-52	-61.2	0	0	0	114.3	Q41 P71 F75 H98	Q41-H73 PolarHBondContact NE2-O 2.96Å; P71-H73 PolarHBondContact O-N 3.34Å; H73-F75 PolarHBondContact O-N 3.39Å; H73-H98 WeakPolarHBondContact CA-O 3.33Å; H73-H98 PolarHBondContact N-O 3.09Å
74	A	89.1	Confident	87.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	-54.8	-34.6	172.6	0	0	0	0	0	112.3	F40 Q41 C42 V70 P71 T72	F40-A74 HydrophobicContact CE2-CB 4.05Å; F40-A74 HydrophobicContact CZ-CB 3.98Å; Q41-A74 WeakPolarHBondContact CA-O 3.26Å; C42-A74 PolarHBondContact N-O 3.01Å; V70-A74 HydrophobicContact CG1-CB 3.91Å; P71-A74 HydrophobicContact CG-CB 3.97Å; P71-A74 WeakPolarHBondContact O-CB 3.05Å; P71-A74 PolarHBondContact O-N 2.63Å; T72-A74 PolarHBondContact O-N 3.45Å
75	F	91.8	Very high	88.1	Confident	1 Å²	1	44.1 Å²	44.1	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	120	177.8	-50.2	-71.5	0	0	0	109.5	F40 C42 L60 L62 H73 L78 I84 I86 A99 F100 L103	F40-F75 AromaticContact CE2-CE1 3.89Å; F40-F75 HydrophobicContact CE2-CE1 3.89Å; F40-F75 AromaticContact CE2-CZ 3.88Å; F40-F75 HydrophobicContact CE2-CZ 3.88Å; F40-F75 HydrophobicContact CZ-CZ 4.1Å; C42-F75 HydrophobicContact CB-CD1 4.16Å; C42-F75 WeakPolarHBondContact O-CA 3.41Å; L60-F75 HydrophobicContact CD2-CD1 3.94Å; L60-F75 HydrophobicContact CD2-CE1 3.6Å; L62-F75 HydrophobicContact CD1-CE1 3.83Å; L62-F75 HydrophobicContact CD1-CZ 3.62Å; H73-F75 PolarHBondContact O-N 3.39Å; F75-L78 HydrophobicContact CB-CD1 3.91Å; F75-L78 HydrophobicContact CD1-CD1 4.06Å; F75-L78 HydrophobicContact CG-CD1 4.38Å; F75-I84 HydrophobicContact CB-CD1 4.41Å; F75-I84 HydrophobicContact CD1-CD1 4Å; F75-I84 HydrophobicContact CD2-CD1 4.15Å; F75-I84 HydrophobicContact CE1-CD1 4.31Å; F75-I84 HydrophobicContact CE1-CG2 4.16Å; F75-I84 HydrophobicContact CE2-CD1 4.46Å; F75-I84 HydrophobicContact CE2-CG2 4.2Å; F75-I84 HydrophobicContact CG-CD1 3.91Å; F75-I84 HydrophobicContact CZ-CG2 3.79Å; F75-I86 HydrophobicContact CE2-CD1 4.5Å; F75-I86 HydrophobicContact CZ-CD1 4.41Å; F75-A99 WeakPolarHBondContact CD2-O 3.35Å; F75-F100 AromaticContact CD2-CD1 3.72Å; F75-F100 HydrophobicContact CD2-CD1 3.72Å; F75-F100 AromaticContact CD2-CE1 3.72Å; F75-F100 HydrophobicContact CD2-CE1 3.72Å; F75-F100 HydrophobicContact CD2-CG 4.32Å; F75-F100 HydrophobicContact CD2-CZ 4.3Å; F75-F100 AromaticContact CE2-CD1 3.94Å; F75-F100 HydrophobicContact CE2-CD1 3.94Å; F75-F100 AromaticContact CE2-CE1 3.44Å; F75-F100 HydrophobicContact CE2-CE1 3.44Å; F75-F100 VanDerWaalsContact CE2-CE1 3.44Å; F75-F100 HydrophobicContact CE2-CE2 4.35Å; F75-F100 AromaticContact CE2-CZ 3.68Å; F75-F100 HydrophobicContact CE2-CZ 3.68Å; F75-F100 HydrophobicContact CZ-CE1 4.34Å; F75-L103 HydrophobicContact CB-CD1 3.94Å; F75-L103 HydrophobicContact CB-CD2 4.18Å
76	K	86.6	Confident	88.7	Confident	104 Å²	104	44 Å²	44	45%	0.452	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	120.8	-177.3	-168.7	179.9	179.9	-173.1	0	112	C42 S43 R44 L78	C42-K76 PolarHBondContact O-N 3.46Å; S43-K76 VanDerWaalsContact CA-O 3.3Å; S43-K76 WeakPolarHBondContact CA-O 3.37Å; R44-K76 PolarHBondContact N-O 3.29Å; K76-L78 VanDerWaalsContact C-N 3.26Å; K76-L78 PolarHBondContact O-N 2.61Å
77	E	82.7	Confident	89.3	Confident	111 Å²	111	41.8 Å²	41.8	52%	0.519	21%	0.205	S	C	.	.	S	Bend	trans	52	39.2	171.6	-64.9	171.2	-146.6	0	0	114.3	R44 I79	R44-E77 HydrophobicContact CB-CB 4.41Å; E77-I79 WeakPolarHBondContact O-CG1 3.15Å; E77-I79 PolarHBondContact O-N 2.04Å
78	L	83.8	Confident	89.4	Confident	9 Å²	9	46.4 Å²	46.4	5%	0.047	23%	0.226	C	C	.	.			trans	-69.1	124.1	177.2	-62.4	172.7	0	0	0	110	C42 F75 K76 I81 I84 L103	C42-L78 HydrophobicContact CB-CD2 4.32Å; F75-L78 HydrophobicContact CB-CD1 3.91Å; F75-L78 HydrophobicContact CD1-CD1 4.06Å; F75-L78 HydrophobicContact CG-CD1 4.38Å; K76-L78 VanDerWaalsContact C-N 3.26Å; K76-L78 PolarHBondContact O-N 2.61Å; L78-I81 HydrophobicContact CB-CB 4.13Å; L78-I81 HydrophobicContact CB-CG1 4.24Å; L78-I81 HydrophobicContact CD1-CB 4.24Å; L78-I81 HydrophobicContact CD1-CG1 4.23Å; L78-I81 HydrophobicContact CD1-CG2 4.47Å; L78-I81 HydrophobicContact CD2-CG1 4.46Å; L78-I84 HydrophobicContact CD1-CD1 4.26Å; L78-L103 HydrophobicContact CB-CD2 4.39Å; L78-L103 HydrophobicContact CG-CD2 4.46Å
79	I	79.3	Confident	89.3	Confident	75 Å²	75	38.9 Å²	38.9	39%	0.385	19%	0.193	S	C	.	.	S	Bend	trans	-93.4	-43.3	-171	-55.5	-179.7	0	0	0	111.9	R44 E77 S105	R44-I79 HydrophobicContact CG-CD1 3.72Å; R44-I79 HydrophobicContact CG-CG1 4.23Å; E77-I79 WeakPolarHBondContact O-CG1 3.15Å; E77-I79 PolarHBondContact O-N 2.04Å; I79-S105 WeakPolarHBondContact O-CB 3.33Å; I79-S105 PolarHBondContact O-OG 3.33Å
80	N	82.9	Confident	89.1	Confident	98 Å²	98	40.8 Å²	40.8	52%	0.524	21%	0.206	S	C	.	.	S	Bend	trans	-101.9	-6.7	-175.4	-60.7	-5.4	0	0	0	114.3	T82	N80-T82 PolarHBondContact O-N 3.49Å
81	I	86.8	Confident	88.8	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.01	22%	0.22	C	C	.	.			trans	-82.9	119.4	-178.4	-59	-68.1	0	0	0	109.1	I32 A57 L60 L78 I83 I84	I32-I81 HydrophobicContact CD1-CD1 4.21Å; A57-I81 WeakPolarHBondContact O-CD1 3.08Å; L60-I81 HydrophobicContact CB-CD1 4.19Å; L60-I81 HydrophobicContact CB-CG2 4.01Å; L78-I81 HydrophobicContact CB-CB 4.13Å; L78-I81 HydrophobicContact CB-CG1 4.24Å; L78-I81 HydrophobicContact CD1-CB 4.24Å; L78-I81 HydrophobicContact CD1-CG1 4.23Å; L78-I81 HydrophobicContact CD1-CG2 4.47Å; L78-I81 HydrophobicContact CD2-CG1 4.46Å; I81-I83 WeakPolarHBondContact CG2-O 3.29Å; I81-I84 HydrophobicContact CG2-CG1 3.83Å
82	T	90.9	Very high	88.8	Confident	37 Å²	37	42.2 Å²	42.2	23%	0.227	22%	0.216	C	C	.	.			trans	-105.2	-24.3	176.5	57.8	0	0	0	0	112.5	L58 N80 S105 A107 Q108	L58-T82 HydrophobicContact CD2-CG2 3.63Å; L58-T82 WeakPolarHBondContact CD2-OG1 3.29Å; L58-T82 PolarHBondContact O-N 3.37Å; L58-T82 PolarHBondContact O-OG1 3.47Å; L58-T82 VanDerWaalsContact O-OG1 3.11Å; N80-T82 PolarHBondContact O-N 3.49Å; T82-S105 WeakPolarHBondContact CA-O 3.25Å; T82-S105 WeakPolarHBondContact CG2-O 3.39Å; T82-A107 PolarHBondContact O-N 2.98Å; T82-Q108 PolarHBondContact O-N 3.2Å
83	I	93.5	Very high	88.8	Confident	32 Å²	32	42 Å²	42	16%	0.164	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	125	-177.9	-52.5	177.2	0	0	0	109.7	L58 R59 L60 I81 Q108	L58-I83 PolarHBondContact O-N 3.1Å; R59-I83 CarbonylContact C-O 3.44Å; R59-I83 WeakPolarHBondContact CA-O 3.01Å; R59-I83 HydrophobicContact CB-CB 4.08Å; R59-I83 HydrophobicContact CG-CB 3.87Å; R59-I83 HydrophobicContact CG-CG2 3.83Å; L60-I83 PolarHBondContact N-O 3.23Å; I81-I83 WeakPolarHBondContact CG2-O 3.29Å; I83-Q108 WeakPolarHBondContact CA-O 3.45Å; I83-Q108 HydrophobicContact CB-CB 4.26Å; I83-Q108 HydrophobicContact CG1-CB 3.97Å; I83-Q108 HydrophobicContact CG2-CB 4.05Å; I83-Q108 HydrophobicContact CG2-CG 4.16Å
84	I	94.4	Very high	88.9	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	123.8	168.5	-63.7	168.9	0	0	0	109.2	L60 F75 L78 I81 I86 F100 L103 L106 Q108 I109 S110	L60-I84 HydrophobicContact CB-CG1 4.35Å; L60-I84 HydrophobicContact CD2-CG1 4.48Å; L60-I84 WeakPolarHBondContact O-CA 3.47Å; F75-I84 HydrophobicContact CB-CD1 4.41Å; F75-I84 HydrophobicContact CD1-CD1 4Å; F75-I84 HydrophobicContact CD2-CD1 4.15Å; F75-I84 HydrophobicContact CE1-CD1 4.31Å; F75-I84 HydrophobicContact CE1-CG2 4.16Å; F75-I84 HydrophobicContact CE2-CD1 4.46Å; F75-I84 HydrophobicContact CE2-CG2 4.2Å; F75-I84 HydrophobicContact CG-CD1 3.91Å; F75-I84 HydrophobicContact CZ-CG2 3.79Å; L78-I84 HydrophobicContact CD1-CD1 4.26Å; I81-I84 HydrophobicContact CG2-CG1 3.83Å; I84-I86 HydrophobicContact CG2-CG1 4.39Å; I84-F100 HydrophobicContact CB-CE1 4.23Å; I84-F100 HydrophobicContact CD1-CD1 4.25Å; I84-F100 HydrophobicContact CD1-CE1 4.12Å; I84-F100 HydrophobicContact CG2-CE1 3.79Å; I84-F100 HydrophobicContact CG2-CZ 4.4Å; I84-L103 HydrophobicContact CD1-CD1 4.16Å; I84-L106 HydrophobicContact CB-CD1 4.12Å; I84-L106 HydrophobicContact CD1-CD1 3.55Å; I84-L106 HydrophobicContact CD1-CD2 4.04Å; I84-L106 HydrophobicContact CD1-CG 4.47Å; I84-L106 HydrophobicContact CG1-CD1 3.53Å; I84-Q108 PolarHBondContact N-O 3.09Å; I84-I109 WeakPolarHBondContact O-CA 3.3Å; I84-S110 PolarHBondContact O-N 2.96Å
85	E	94.1	Very high	89.2	Confident	21 Å²	21	41.8 Å²	41.8	10%	0.098	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	120.5	178.1	-177.4	-173	160.6	0	0	109.8	R59 L60 R61 L62 S87 S110	R59-E85 IonicContact CZ-OE2 3.61Å; R59-E85 IonicContact NE-OE2 2.88Å; R59-E85 PolarHBondContact NE-OE2 2.94Å; R59-E85 IonicContact NH2-OE2 3.42Å; R59-E85 PolarHBondContact NH2-OE2 2.87Å; L60-E85 PolarHBondContact O-N 3.04Å; R61-E85 HydrophobicContact CG-CB 4.13Å; R61-E85 WeakPolarHBondContact CG-OE2 3.27Å; R61-E85 IonicContact CZ-OE2 2.69Å; R61-E85 IonicContact NE-OE2 3.28Å; R61-E85 PolarHBondContact NE-OE2 3.16Å; R61-E85 IonicContact NH2-OE2 2.77Å; L62-E85 PolarHBondContact N-O 3.19Å; E85-S87 PolarHBondContact OE1-OG 2.94Å; E85-S110 CarbonylContact C-O 3.02Å; E85-S110 WeakPolarHBondContact CA-O 3.48Å
86	I	93.2	Very high	89.4	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	113.1	171.4	-50.6	-177.2	0	0	0	107	L62 L65 V70 F75 I84 I92 F100 S110 V111 Q112 I114	L62-I86 HydrophobicContact CD1-CG1 4.28Å; L62-I86 WeakPolarHBondContact O-CA 3.31Å; L65-I86 HydrophobicContact CD1-CG2 4.24Å; V70-I86 HydrophobicContact CG2-CD1 4.08Å; F75-I86 HydrophobicContact CE2-CD1 4.5Å; F75-I86 HydrophobicContact CZ-CD1 4.41Å; I84-I86 HydrophobicContact CG2-CG1 4.39Å; I86-I92 HydrophobicContact CG2-CD1 3.95Å; I86-F100 HydrophobicContact CD1-CE2 4.47Å; I86-F100 HydrophobicContact CD1-CZ 3.82Å; I86-S110 PolarHBondContact N-O 2.95Å; I86-V111 WeakPolarHBondContact O-CA 3.19Å; I86-Q112 PolarHBondContact O-N 3.26Å; I86-I114 HydrophobicContact CB-CD1 4.37Å; I86-I114 HydrophobicContact CG2-CD1 3.7Å
87	S	92.7	Very high	89.8	Confident	4 Å²	4	44 Å²	44	3%	0.028	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	165.2	-176.3	65.9	0	0	0	0	114.9	L62 T63 Q64 E85 S89 Q112	L62-S87 PolarHBondContact O-N 2.99Å; T63-S87 WeakPolarHBondContact CA-O 3.4Å; Q64-S87 PolarHBondContact N-O 3.33Å; E85-S87 PolarHBondContact OE1-OG 2.94Å; S87-S89 VanDerWaalsContact C-N 3.31Å; S87-S89 PolarHBondContact O-N 3.41Å; S87-S89 VanDerWaalsContact O-N 3.15Å; S87-S89 PolarHBondContact O-OG 2.97Å; S87-S89 VanDerWaalsContact O-OG 3.09Å; S87-Q112 WeakPolarHBondContact CA-O 3.4Å; S87-Q112 WeakPolarHBondContact CB-O 3.46Å
88	Q	86.7	Confident	90.3	Very high	105 Å²	105	41.6 Å²	41.6	49%	0.491	21%	0.212	S	C	.	.	S	Bend	trans	50.2	47	171.2	-57.8	-178.1	-5.9	0	0	113.6	Q64 Q112 N113	Q64-Q88 WeakPolarHBondContact CA-O 3.41Å; Q64-Q88 PolarHBondContact N-O 3.32Å; Q88-Q112 PolarHBondContact N-O 3.35Å; Q88-N113 HydrophobicContact CG-CB 4.48Å
89	S	86.6	Confident	90.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.21	C	C	.	.			trans	-117.6	120.5	-177.9	-64.6	0	0	0	0	109.8	L65 S87 I114 S116	L65-S89 PolarHBondContact N-OG 2.99Å; S87-S89 VanDerWaalsContact C-N 3.31Å; S87-S89 PolarHBondContact O-N 3.41Å; S87-S89 VanDerWaalsContact O-N 3.15Å; S87-S89 PolarHBondContact O-OG 2.97Å; S87-S89 VanDerWaalsContact O-OG 3.09Å; S89-I114 VanDerWaalsContact O-CG2 3.3Å; S89-I114 WeakPolarHBondContact O-CG2 3.36Å; S89-S116 PolarHBondContact O-OG 2.79Å
90	D	86	Confident	91.5	Very high	121 Å²	121	37.6 Å²	37.6	65%	0.647	19%	0.192	S	C	*	.	S	Bend	trans	-92.3	-10.5	-175.9	-67	-36.5	0	0	0	113.5	S116	D90-S116 VanDerWaalsContact C-OG 3.25Å; D90-S116 WeakPolarHBondContact O-CB 3.46Å; D90-S116 PolarHBondContact O-OG 3.19Å
91	C	88.1	Confident	92.1	Very high	42 Å²	42	36.8 Å²	36.8	28%	0.284	18%	0.184	S	C	.	.	S	Bend	trans	-102.1	-24.3	-175.6	-66	0	0	0	0	113.7	L67 K68 T93	L67-C91 CarbonylContact O-C 3.34Å; L67-C91 WeakPolarHBondContact O-CB 3.45Å; K68-C91 WeakPolarHBondContact CA-O 3.4Å; C91-T93 PolarHBondContact O-N 3.36Å
92	I	91.4	Very high	92.2	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.192	C	C	.	.			trans	-69	121.8	-174.8	-62.1	175.5	0	0	0	109.5	L65 L67 V70 I86 I114 S116 L117	L65-I92 HydrophobicContact CB-CD1 4.03Å; L65-I92 HydrophobicContact CB-CG1 4.43Å; L65-I92 HydrophobicContact CD1-CD1 3.74Å; L67-I92 WeakPolarHBondContact O-CA 3.37Å; L67-I92 WeakPolarHBondContact O-CG1 3.32Å; L67-I92 PolarHBondContact O-N 2.9Å; V70-I92 HydrophobicContact CG2-CD1 4.24Å; V70-I92 HydrophobicContact CG2-CG2 4.29Å; I86-I92 HydrophobicContact CG2-CD1 3.95Å; I92-I114 HydrophobicContact CB-CG2 3.9Å; I92-I114 HydrophobicContact CD1-CD1 4.43Å; I92-I114 HydrophobicContact CG2-CG2 4.35Å; I92-S116 PolarHBondContact N-OG 2.72Å; I92-S116 CarbonylContact O-C 3.54Å; I92-S116 VanDerWaalsContact O-CB 3.26Å; I92-S116 WeakPolarHBondContact O-CB 3.18Å; I92-S116 PolarHBondContact O-OG 3.49Å; I92-L117 HydrophobicContact CG2-CD1 4.1Å; I92-L117 WeakPolarHBondContact O-CA 3.49Å; I92-L117 PolarHBondContact O-N 2.97Å
93	T	92.1	Very high	92.2	Very high	44 Å²	44	36.4 Å²	36.4	27%	0.27	18%	0.182	S	C	.	.			trans	-112.6	-29.9	-179.4	50.7	0	0	0	0	112.5	K68 C91 R118 V119	K68-T93 PolarHBondContact O-N 3.03Å; K68-T93 PolarHBondContact O-OG1 3.13Å; C91-T93 PolarHBondContact O-N 3.36Å; T93-R118 PolarHBondContact O-N 3.32Å; T93-V119 PolarHBondContact O-N 3.27Å
94	H	94.3	Very high	92	Very high	69 Å²	69	39.7 Å²	39.7	32%	0.319	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	141.8	-177.3	-61.4	-84.3	0	0	0	112.2	Q69 V70 V119	Q69-H94 CarbonylContact C-O 3.58Å; Q69-H94 VanDerWaalsContact CA-O 3.24Å; Q69-H94 WeakPolarHBondContact CA-O 3.42Å; Q69-H94 HydrophobicContact CB-CB 4.38Å; V70-H94 PolarHBondContact N-O 3.38Å; H94-V119 WeakPolarHBondContact CA-O 3.22Å
95	I	95.6	Very high	91.8	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	117	161	-60.8	-177.2	0	0	0	106.9	V70 A99 F100 V111 L117 V119 I120 E121 A124	V70-I95 HydrophobicContact CB-CB 4.44Å; V70-I95 HydrophobicContact CB-CG1 4.21Å; V70-I95 HydrophobicContact CB-CG2 4.24Å; V70-I95 HydrophobicContact CG1-CG2 4.48Å; V70-I95 HydrophobicContact CG2-CG1 4.04Å; I95-A99 HydrophobicContact CG2-CB 3.69Å; I95-F100 HydrophobicContact CG2-CE2 4.43Å; I95-V111 HydrophobicContact CD1-CG1 4.26Å; I95-V111 HydrophobicContact CD1-CG2 4.33Å; I95-L117 HydrophobicContact CD1-CD1 4.44Å; I95-L117 HydrophobicContact CD1-CD2 4.35Å; I95-L117 HydrophobicContact CG1-CD1 3.93Å; I95-V119 PolarHBondContact N-O 3.47Å; I95-V119 VanDerWaalsContact N-O 3.15Å; I95-I120 HydrophobicContact CB-CG1 4.23Å; I95-I120 HydrophobicContact CB-CG2 4.42Å; I95-I120 HydrophobicContact CD1-CD1 4.36Å; I95-I120 HydrophobicContact CD1-CG1 4.07Å; I95-I120 HydrophobicContact CG1-CG1 4.34Å; I95-E121 WeakPolarHBondContact O-CB 3.34Å; I95-E121 PolarHBondContact O-N 2.74Å; I95-A124 HydrophobicContact CG2-CB 4.02Å
96	Q	95.1	Very high	91.7	Very high	37 Å²	37	40.1 Å²	40.1	17%	0.173	20%	0.202	C	C	.	.			trans	-73.9	161	-174.9	-68	-174.3	-18.7	0	0	112.4	V70 T72 A99 E121	V70-Q96 WeakPolarHBondContact O-CB 3.44Å; V70-Q96 WeakPolarHBondContact O-CG 3.3Å; V70-Q96 PolarHBondContact O-N 3.17Å; T72-Q96 PolarHBondContact OG1-OE1 2.66Å; T72-Q96 VanDerWaalsContact OG1-OE1 3.11Å; Q96-A99 VanDerWaalsContact O-CB 3.27Å; Q96-A99 WeakPolarHBondContact O-CB 3.39Å; Q96-A99 PolarHBondContact O-N 3.39Å; Q96-E121 WeakPolarHBondContact CA-OE2 3.21Å
97	K	94.8	Very high	91.7	Very high	113 Å²	113	41.2 Å²	41.2	49%	0.491	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	144.8	171.1	68.3	-178.8	-177.6	179.3	0	111.3	T72 A99 E121	T72-K97 WeakPolarHBondContact CA-O 3.15Å; T72-K97 VanDerWaalsContact CG2-O 3.23Å; T72-K97 WeakPolarHBondContact CG2-O 3.46Å; K97-A99 PolarHBondContact O-N 3.2Å; K97-E121 HydrophobicContact CB-CB 4.49Å; K97-E121 PolarHBondContact N-OE2 2.62Å
98	H	94.5	Very high	91.9	Very high	62 Å²	62	43.5 Å²	43.5	29%	0.287	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	27.5	-178.7	-50.5	129	0	0	0	114.6	T72 H73 F100 F101 G123	T72-H98 HydrophobicContact CG2-CB 4.09Å; H73-H98 WeakPolarHBondContact CA-O 3.33Å; H73-H98 PolarHBondContact N-O 3.09Å; H98-F100 VanDerWaalsContact C-N 3.26Å; H98-F100 PolarHBondContact O-N 2.66Å; H98-F101 HydrophobicContact CB-CB 4.08Å; H98-F101 HydrophobicContact CB-CD2 4.32Å; H98-F101 HydrophobicContact CB-CG 4.38Å; H98-F101 AromaticContact CD2-CD2 3.72Å; H98-G123 WeakPolarHBondContact CA-O 3.44Å; H98-G123 PolarHBondContact N-O 3.41Å
99	A	94.3	Very high	92.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-59.8	-41	171.4	0	0	0	0	0	111	V70 F75 I95 Q96 K97 A124	V70-A99 HydrophobicContact CG1-CB 3.96Å; F75-A99 WeakPolarHBondContact CD2-O 3.35Å; I95-A99 HydrophobicContact CG2-CB 3.69Å; Q96-A99 VanDerWaalsContact O-CB 3.27Å; Q96-A99 WeakPolarHBondContact O-CB 3.39Å; Q96-A99 PolarHBondContact O-N 3.39Å; K97-A99 PolarHBondContact O-N 3.2Å; A99-A124 PolarHBondContact N-O 3.38Å
100	F	94.6	Very high	92.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	98.4	172.7	-58.3	-95.2	0	0	0	109	F75 I84 I86 I95 H98 L103 L106 I109 A124 F125 T126 L128	F75-F100 AromaticContact CD2-CD1 3.72Å; F75-F100 HydrophobicContact CD2-CD1 3.72Å; F75-F100 AromaticContact CD2-CE1 3.72Å; F75-F100 HydrophobicContact CD2-CE1 3.72Å; F75-F100 HydrophobicContact CD2-CG 4.32Å; F75-F100 HydrophobicContact CD2-CZ 4.3Å; F75-F100 AromaticContact CE2-CD1 3.94Å; F75-F100 HydrophobicContact CE2-CD1 3.94Å; F75-F100 AromaticContact CE2-CE1 3.44Å; F75-F100 HydrophobicContact CE2-CE1 3.44Å; F75-F100 VanDerWaalsContact CE2-CE1 3.44Å; F75-F100 HydrophobicContact CE2-CE2 4.35Å; F75-F100 AromaticContact CE2-CZ 3.68Å; F75-F100 HydrophobicContact CE2-CZ 3.68Å; F75-F100 HydrophobicContact CZ-CE1 4.34Å; I84-F100 HydrophobicContact CB-CE1 4.23Å; I84-F100 HydrophobicContact CD1-CD1 4.25Å; I84-F100 HydrophobicContact CD1-CE1 4.12Å; I84-F100 HydrophobicContact CG2-CE1 3.79Å; I84-F100 HydrophobicContact CG2-CZ 4.4Å; I86-F100 HydrophobicContact CD1-CE2 4.47Å; I86-F100 HydrophobicContact CD1-CZ 3.82Å; I95-F100 HydrophobicContact CG2-CE2 4.43Å; H98-F100 VanDerWaalsContact C-N 3.26Å; H98-F100 PolarHBondContact O-N 2.66Å; F100-L103 HydrophobicContact CB-CD1 4.3Å; F100-L103 HydrophobicContact CD1-CD1 4.22Å; F100-L106 HydrophobicContact CD1-CD2 4.37Å; F100-I109 HydrophobicContact CB-CD1 4.42Å; F100-I109 HydrophobicContact CD1-CD1 3.84Å; F100-I109 HydrophobicContact CD1-CG1 4.28Å; F100-I109 HydrophobicContact CE1-CD1 4.24Å; F100-I109 HydrophobicContact CE1-CG1 4.29Å; F100-I109 HydrophobicContact CE1-CG2 4.19Å; F100-I109 HydrophobicContact CG-CD1 4.14Å; F100-I109 HydrophobicContact CZ-CG2 4.17Å; F100-A124 PolarHBondContact N-O 3.06Å; F100-F125 HydrophobicContact CB-CD1 4.09Å; F100-F125 AromaticContact CD2-CD1 3.61Å; F100-F125 HydrophobicContact CD2-CD1 3.61Å; F100-F125 AromaticContact CD2-CE1 3.49Å; F100-F125 HydrophobicContact CD2-CE1 3.49Å; F100-F125 VanDerWaalsContact CD2-CE1 3.49Å; F100-F125 HydrophobicContact CE2-CD1 4.24Å; F100-F125 AromaticContact CE2-CE1 3.64Å; F100-F125 HydrophobicContact CE2-CE1 3.64Å; F100-F125 AromaticContact CG-CD1 3.98Å; F100-F125 HydrophobicContact CG-CD1 3.98Å; F100-F125 HydrophobicContact CG-CE1 4.18Å; F100-F125 HydrophobicContact CZ-CE1 4.41Å; F100-T126 PolarHBondContact O-N 2.87Å; F100-L128 HydrophobicContact CB-CD1 4.46Å; F100-L128 HydrophobicContact CB-CD2 4.39Å
101	F	93.5	Very high	93.3	Very high	80 Å²	80	33 Å²	33	35%	0.351	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	126.2	-172.7	-179.9	-99.9	0	0	0	111.8	H98 L103 T126	H98-F101 HydrophobicContact CB-CB 4.08Å; H98-F101 HydrophobicContact CB-CD2 4.32Å; H98-F101 HydrophobicContact CB-CG 4.38Å; H98-F101 AromaticContact CD2-CD2 3.72Å; F101-L103 VanDerWaalsContact C-N 3.34Å; F101-L103 PolarHBondContact O-N 3.19Å; F101-T126 WeakPolarHBondContact CA-O 3.27Å; F101-T126 HydrophobicContact CD2-CG2 3.97Å; F101-T126 HydrophobicContact CE2-CG2 4.03Å
102	S	90.9	Very high	93.6	Very high	28 Å²	28	33.3 Å²	33.3	20%	0.196	17%	0.166	C	C	.	.	S	Bend	trans	54.7	43.4	171.2	-167.1	0	0	0	0	113.7	H104 T126 D127	S102-H104 PolarHBondContact O-CD2 3.31Å; S102-H104 PolarHBondContact O-N 3.24Å; S102-H104 PolarHBondContact OG-NE2 3.12Å; S102-T126 PolarHBondContact N-O 3.22Å; S102-T126 VanDerWaalsContact N-O 3.13Å; S102-D127 WeakPolarHBondContact CA-O 3.47Å; S102-D127 PolarHBondContact N-O 3.16Å
103	L	90.4	Very high	93.8	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.016	18%	0.182	C	C	.	.			trans	-93.8	88.5	-177.1	-63.3	170.4	0	0	0	110.8	F75 L78 I84 F100 F101 S105 L106 L128	F75-L103 HydrophobicContact CB-CD1 3.94Å; F75-L103 HydrophobicContact CB-CD2 4.18Å; L78-L103 HydrophobicContact CB-CD2 4.39Å; L78-L103 HydrophobicContact CG-CD2 4.46Å; I84-L103 HydrophobicContact CD1-CD1 4.16Å; F100-L103 HydrophobicContact CB-CD1 4.3Å; F100-L103 HydrophobicContact CD1-CD1 4.22Å; F101-L103 VanDerWaalsContact C-N 3.34Å; F101-L103 PolarHBondContact O-N 3.19Å; L103-S105 VanDerWaalsContact C-N 3.28Å; L103-S105 PolarHBondContact O-N 3Å; L103-L106 HydrophobicContact CB-CB 3.78Å; L103-L106 HydrophobicContact CB-CD2 4.16Å; L103-L106 HydrophobicContact CD1-CD2 3.7Å; L103-L106 PolarHBondContact O-N 3.17Å; L103-L128 HydrophobicContact CB-CD2 3.91Å; L103-L128 HydrophobicContact CD1-CD2 4.36Å; L103-L128 HydrophobicContact CG-CD2 4.37Å
104	H	89.1	Confident	93.9	Very high	102 Å²	102	34.2 Å²	34.2	47%	0.472	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-16.3	-171.5	-56.6	-68.7	0	0	0	116.1	S102 R130	S102-H104 PolarHBondContact O-CD2 3.31Å; S102-H104 PolarHBondContact O-N 3.24Å; S102-H104 PolarHBondContact OG-NE2 3.12Å; H104-R130 WeakPolarHBondContact O-CD 3.18Å; H104-R130 WeakPolarHBondContact O-CG 3.45Å; H104-R130 PolarHBondContact O-NH1 3.48Å
105	S	89.3	Confident	93.8	Very high	28 Å²	28	37.3 Å²	37.3	20%	0.196	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-6	178.6	-62.2	0	0	0	0	113.4	I79 T82 L103 A107	I79-S105 WeakPolarHBondContact O-CB 3.33Å; I79-S105 PolarHBondContact O-OG 3.33Å; T82-S105 WeakPolarHBondContact CA-O 3.25Å; T82-S105 WeakPolarHBondContact CG2-O 3.39Å; L103-S105 VanDerWaalsContact C-N 3.28Å; L103-S105 PolarHBondContact O-N 3Å; S105-A107 PolarHBondContact O-N 2.77Å
106	L	92.6	Very high	93.7	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.016	19%	0.187	C	C	.	.			trans	-80.2	118.8	-171.8	-170.2	72.7	0	0	0	111	I84 F100 L103 I109 L128 R130 L131	I84-L106 HydrophobicContact CB-CD1 4.12Å; I84-L106 HydrophobicContact CD1-CD1 3.55Å; I84-L106 HydrophobicContact CD1-CD2 4.04Å; I84-L106 HydrophobicContact CD1-CG 4.47Å; I84-L106 HydrophobicContact CG1-CD1 3.53Å; F100-L106 HydrophobicContact CD1-CD2 4.37Å; L103-L106 HydrophobicContact CB-CB 3.78Å; L103-L106 HydrophobicContact CB-CD2 4.16Å; L103-L106 HydrophobicContact CD1-CD2 3.7Å; L103-L106 PolarHBondContact O-N 3.17Å; L106-I109 HydrophobicContact CD2-CD1 3.63Å; L106-I109 HydrophobicContact CD2-CG1 3.49Å; L106-I109 VanDerWaalsContact CD2-CG1 3.49Å; L106-I109 HydrophobicContact CG-CG1 4.21Å; L106-L128 HydrophobicContact CD2-CD2 4.31Å; L106-R130 CarbonylContact O-C 2.97Å; L106-R130 VanDerWaalsContact O-C 3.28Å; L106-L131 PolarHBondContact O-N 3.17Å
107	A	93.3	Very high	93.7	Very high	22 Å²	22	36.3 Å²	36.3	18%	0.182	18%	0.179	C	C	.	.			trans	-101.6	-31.3	178.3	0	0	0	0	0	112.8	T82 S105 R130 E132 Y133	T82-A107 PolarHBondContact O-N 2.98Å; S105-A107 PolarHBondContact O-N 2.77Å; A107-R130 WeakPolarHBondContact CA-O 3.33Å; A107-E132 PolarHBondContact O-N 3.19Å; A107-Y133 PolarHBondContact O-N 3.39Å
108	Q	96	Very high	93.6	Very high	52 Å²	52	35.3 Å²	35.3	24%	0.243	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	129.5	-173.1	-172.1	170.2	13	0	0	112.7	T82 I83 I84 Y133	T82-Q108 PolarHBondContact O-N 3.2Å; I83-Q108 WeakPolarHBondContact CA-O 3.45Å; I83-Q108 HydrophobicContact CB-CB 4.26Å; I83-Q108 HydrophobicContact CG1-CB 3.97Å; I83-Q108 HydrophobicContact CG2-CB 4.05Å; I83-Q108 HydrophobicContact CG2-CG 4.16Å; I84-Q108 PolarHBondContact N-O 3.09Å; Q108-Y133 WeakPolarHBondContact CA-O 3.36Å; Q108-Y133 HydrophobicContact CG-CD1 3.56Å; Q108-Y133 HydrophobicContact CG-CE1 4.38Å; Q108-Y133 HydrophobicContact CG-CG 4.17Å; Q108-Y133 VanDerWaalsContact NE2-CD1 3.26Å
109	I	96.4	Very high	93.7	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	132.8	168.7	-64.5	172.3	0	0	0	109	I84 F100 L106 V111 F125 L128 L131 Y133 L134 S135	I84-I109 WeakPolarHBondContact O-CA 3.3Å; F100-I109 HydrophobicContact CB-CD1 4.42Å; F100-I109 HydrophobicContact CD1-CD1 3.84Å; F100-I109 HydrophobicContact CD1-CG1 4.28Å; F100-I109 HydrophobicContact CE1-CD1 4.24Å; F100-I109 HydrophobicContact CE1-CG1 4.29Å; F100-I109 HydrophobicContact CE1-CG2 4.19Å; F100-I109 HydrophobicContact CG-CD1 4.14Å; F100-I109 HydrophobicContact CZ-CG2 4.17Å; L106-I109 HydrophobicContact CD2-CD1 3.63Å; L106-I109 HydrophobicContact CD2-CG1 3.49Å; L106-I109 VanDerWaalsContact CD2-CG1 3.49Å; L106-I109 HydrophobicContact CG-CG1 4.21Å; I109-V111 HydrophobicContact CG2-CG2 4.32Å; I109-F125 HydrophobicContact CD1-CD1 3.96Å; I109-F125 HydrophobicContact CD1-CE1 4.2Å; I109-F125 HydrophobicContact CG2-CE1 4.02Å; I109-L128 HydrophobicContact CD1-CD1 3.65Å; I109-L131 HydrophobicContact CB-CD1 4.32Å; I109-L131 HydrophobicContact CD1-CD1 3.86Å; I109-L131 HydrophobicContact CD1-CD2 4.48Å; I109-L131 HydrophobicContact CG1-CD1 3.78Å; I109-Y133 PolarHBondContact N-O 3.15Å; I109-L134 HydrophobicContact CB-CD1 3.74Å; I109-L134 HydrophobicContact CG2-CD1 3.67Å; I109-L134 WeakPolarHBondContact O-CA 3.42Å; I109-S135 PolarHBondContact O-N 3.48Å
110	S	96.9	Very high	93.8	Very high	5 Å²	5	35.5 Å²	35.5	4%	0.035	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	121.4	177.6	-175.8	0	0	0	0	110.9	I84 E85 I86 Q112 S135	I84-S110 PolarHBondContact O-N 2.96Å; E85-S110 CarbonylContact C-O 3.02Å; E85-S110 WeakPolarHBondContact CA-O 3.48Å; I86-S110 PolarHBondContact N-O 2.95Å; S110-Q112 WeakPolarHBondContact OG-CG 3.35Å; S110-Q112 PolarHBondContact OG-NE2 2.79Å; S110-S135 CarbonylContact C-O 3.55Å; S110-S135 WeakPolarHBondContact CA-O 3.47Å
111	V	96	Very high	93.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	102.5	177.5	-177.7	0	0	0	0	108	I86 I95 I109 I114 L117 S135 I136 S137	I86-V111 WeakPolarHBondContact O-CA 3.19Å; I95-V111 HydrophobicContact CD1-CG1 4.26Å; I95-V111 HydrophobicContact CD1-CG2 4.33Å; I109-V111 HydrophobicContact CG2-CG2 4.32Å; V111-I114 HydrophobicContact CG1-CD1 3.71Å; V111-I114 HydrophobicContact CG1-CG1 4.48Å; V111-L117 HydrophobicContact CG1-CD2 4.08Å; V111-S135 PolarHBondContact N-O 2.83Å; V111-I136 CarbonylContact O-C 3.53Å; V111-I136 WeakPolarHBondContact O-CA 3.42Å; V111-S137 PolarHBondContact O-N 2.9Å
112	Q	95.4	Very high	93.7	Very high	49 Å²	49	45 Å²	45	23%	0.229	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	144.4	-167	-52.8	-167.8	-8.7	0	0	113.9	I86 S87 Q88 S110 I114 S135 S137	I86-Q112 PolarHBondContact O-N 3.26Å; S87-Q112 WeakPolarHBondContact CA-O 3.4Å; S87-Q112 WeakPolarHBondContact CB-O 3.46Å; Q88-Q112 PolarHBondContact N-O 3.35Å; S110-Q112 WeakPolarHBondContact OG-CG 3.35Å; S110-Q112 PolarHBondContact OG-NE2 2.79Å; Q112-I114 VanDerWaalsContact C-N 3.35Å; Q112-I114 WeakPolarHBondContact O-CG1 3.42Å; Q112-I114 PolarHBondContact O-N 2.8Å; Q112-S135 PolarHBondContact NE2-OG 2.94Å; Q112-S137 CarbonylContact C-O 3.45Å; Q112-S137 VanDerWaalsContact CA-O 3.29Å; Q112-S137 WeakPolarHBondContact CA-O 3.18Å; Q112-S137 VanDerWaalsContact CG-OG 3.23Å; Q112-S137 WeakPolarHBondContact CG-OG 3.46Å
113	N	94.1	Very high	93.8	Very high	64 Å²	64	44 Å²	44	34%	0.342	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	57.7	43.7	173.5	-57.1	-44.5	0	0	0	113	Q88 S137 N138	Q88-N113 HydrophobicContact CG-CB 4.48Å; N113-S137 PolarHBondContact N-O 2.93Å; N113-N138 WeakPolarHBondContact CA-O 3.49Å; N113-N138 PolarHBondContact OD1-ND2 3.11Å
114	I	94	Very high	94.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	74.7	177.9	-46.9	-175.3	0	0	0	108.7	I86 S89 I92 V111 Q112 S116 L117 N138 T139 G140	I86-I114 HydrophobicContact CB-CD1 4.37Å; I86-I114 HydrophobicContact CG2-CD1 3.7Å; S89-I114 VanDerWaalsContact O-CG2 3.3Å; S89-I114 WeakPolarHBondContact O-CG2 3.36Å; I92-I114 HydrophobicContact CB-CG2 3.9Å; I92-I114 HydrophobicContact CD1-CD1 4.43Å; I92-I114 HydrophobicContact CG2-CG2 4.35Å; V111-I114 HydrophobicContact CG1-CD1 3.71Å; V111-I114 HydrophobicContact CG1-CG1 4.48Å; Q112-I114 VanDerWaalsContact C-N 3.35Å; Q112-I114 WeakPolarHBondContact O-CG1 3.42Å; Q112-I114 PolarHBondContact O-N 2.8Å; I114-S116 PolarHBondContact O-N 3.1Å; I114-S116 VanDerWaalsContact O-N 3.17Å; I114-L117 HydrophobicContact CB-CB 4.09Å; I114-L117 HydrophobicContact CG2-CB 3.69Å; I114-L117 VanDerWaalsContact O-CB 3.29Å; I114-L117 WeakPolarHBondContact O-CB 3.39Å; I114-L117 PolarHBondContact O-N 3.13Å; I114-N138 PolarHBondContact N-O 3.23Å; I114-T139 WeakPolarHBondContact O-CA 3.43Å; I114-G140 PolarHBondContact O-N 3.47Å
115	K	92.3	Very high	94.3	Very high	135 Å²	135	39 Å²	39	59%	0.587	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-19.9	-175.7	-65.2	-177.1	-179.9	178.9	0	113.4	R118	K115-R118 PolarHBondContact O-NH1 3.38Å
116	S	93.4	Very high	94.6	Very high	17 Å²	17	38.7 Å²	38.7	12%	0.119	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-19.7	175.1	52.9	0	0	0	0	113.3	S89 D90 I92 I114 R118	S89-S116 PolarHBondContact O-OG 2.79Å; D90-S116 VanDerWaalsContact C-OG 3.25Å; D90-S116 WeakPolarHBondContact O-CB 3.46Å; D90-S116 PolarHBondContact O-OG 3.19Å; I92-S116 PolarHBondContact N-OG 2.72Å; I92-S116 CarbonylContact O-C 3.54Å; I92-S116 VanDerWaalsContact O-CB 3.26Å; I92-S116 WeakPolarHBondContact O-CB 3.18Å; I92-S116 PolarHBondContact O-OG 3.49Å; I114-S116 PolarHBondContact O-N 3.1Å; I114-S116 VanDerWaalsContact O-N 3.17Å; S116-R118 PolarHBondContact O-N 2.63Å; S116-R118 PolarHBondContact O-NH1 2.71Å; S116-R118 VanDerWaalsContact O-NH1 3.17Å
117	L	95.4	Very high	94.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.197	C	C	.	.			trans	-62.7	128	-178.5	-175.2	64.7	0	0	0	109.2	I92 I95 V111 I114 I120 T139 G140 L141	I92-L117 HydrophobicContact CG2-CD1 4.1Å; I92-L117 WeakPolarHBondContact O-CA 3.49Å; I92-L117 PolarHBondContact O-N 2.97Å; I95-L117 HydrophobicContact CD1-CD1 4.44Å; I95-L117 HydrophobicContact CD1-CD2 4.35Å; I95-L117 HydrophobicContact CG1-CD1 3.93Å; V111-L117 HydrophobicContact CG1-CD2 4.08Å; I114-L117 HydrophobicContact CB-CB 4.09Å; I114-L117 HydrophobicContact CG2-CB 3.69Å; I114-L117 VanDerWaalsContact O-CB 3.29Å; I114-L117 WeakPolarHBondContact O-CB 3.39Å; I114-L117 PolarHBondContact O-N 3.13Å; L117-I120 HydrophobicContact CD2-CD1 4.28Å; L117-I120 HydrophobicContact CD2-CG1 4.17Å; L117-T139 HydrophobicContact CD2-CG2 4.14Å; L117-G140 CarbonylContact O-C 3.59Å; L117-G140 WeakPolarHBondContact O-CA 3.24Å; L117-G140 PolarHBondContact O-N 3.27Å; L117-G140 VanDerWaalsContact O-O 3.07Å; L117-L141 HydrophobicContact CD2-CD2 4.09Å; L117-L141 HydrophobicContact CD2-CG 4.25Å; L117-L141 HydrophobicContact CG-CD2 3.89Å; L117-L141 HydrophobicContact CG-CG 4.36Å; L117-L141 PolarHBondContact O-N 3.22Å
118	R	93.6	Very high	94.6	Very high	92 Å²	92	40.5 Å²	40.5	35%	0.347	19%	0.188	S	C	.	.			trans	-113.8	-38.9	-178.8	-64.8	-66.4	177.4	-94	-5.6	112	T93 K115 S116 L141 T142	T93-R118 PolarHBondContact O-N 3.32Å; K115-R118 PolarHBondContact O-NH1 3.38Å; S116-R118 PolarHBondContact O-N 2.63Å; S116-R118 PolarHBondContact O-NH1 2.71Å; S116-R118 VanDerWaalsContact O-NH1 3.17Å; R118-L141 WeakPolarHBondContact O-CD2 3.42Å; R118-T142 PolarHBondContact O-N 2.95Å
119	V	95.1	Very high	94.5	Very high	54 Å²	54	38.9 Å²	38.9	33%	0.327	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	133.5	-174	-177.3	0	0	0	0	110.4	T93 H94 I95	T93-V119 PolarHBondContact O-N 3.27Å; H94-V119 WeakPolarHBondContact CA-O 3.22Å; I95-V119 PolarHBondContact N-O 3.47Å; I95-V119 VanDerWaalsContact N-O 3.15Å
120	I	96.3	Very high	94.4	Very high	12 Å²	12	46 Å²	46	6%	0.062	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	118.3	158.7	-65.9	171.5	0	0	0	105.5	I95 L117 A124 F125 I136 L141 P145	I95-I120 HydrophobicContact CB-CG1 4.23Å; I95-I120 HydrophobicContact CB-CG2 4.42Å; I95-I120 HydrophobicContact CD1-CD1 4.36Å; I95-I120 HydrophobicContact CD1-CG1 4.07Å; I95-I120 HydrophobicContact CG1-CG1 4.34Å; L117-I120 HydrophobicContact CD2-CD1 4.28Å; L117-I120 HydrophobicContact CD2-CG1 4.17Å; I120-A124 HydrophobicContact CG2-CB 3.49Å; I120-A124 VanDerWaalsContact CG2-CB 3.49Å; I120-F125 HydrophobicContact CD1-CE2 4.37Å; I120-F125 HydrophobicContact CD1-CZ 4.49Å; I120-F125 HydrophobicContact CG2-CE2 3.92Å; I120-F125 HydrophobicContact CG2-CZ 4.5Å; I120-I136 HydrophobicContact CD1-CD1 4Å; I120-L141 HydrophobicContact CD1-CD1 3.91Å; I120-L141 HydrophobicContact CD1-CD2 4.4Å; I120-L141 HydrophobicContact CG1-CD1 4.45Å; I120-L141 HydrophobicContact CG1-CD2 4.05Å; I120-P145 HydrophobicContact CB-CB 4.26Å; I120-P145 HydrophobicContact CD1-CB 4.2Å; I120-P145 HydrophobicContact CG2-CB 4.49Å
121	E	94.6	Very high	94.3	Very high	70 Å²	70	45.8 Å²	45.8	33%	0.327	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-65.9	153.5	-177.8	-70.1	-175.6	175.3	0	0	111.6	I95 Q96 K97 G123 A124	I95-E121 WeakPolarHBondContact O-CB 3.34Å; I95-E121 PolarHBondContact O-N 2.74Å; Q96-E121 WeakPolarHBondContact CA-OE2 3.21Å; K97-E121 HydrophobicContact CB-CB 4.49Å; K97-E121 PolarHBondContact N-OE2 2.62Å; E121-G123 PolarHBondContact O-N 3.18Å; E121-A124 WeakPolarHBondContact O-CB 3.43Å; E121-A124 PolarHBondContact O-N 3.44Å
122	R	93.4	Very high	94.2	Very high	208 Å²	208	51.2 Å²	51.2	79%	0.785	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	135.3	175.3	-63.9	-173.5	-176.4	-179.9	-1	110.3	A124 D146	R122-A124 VanDerWaalsContact C-N 3.29Å; R122-A124 PolarHBondContact O-N 3.22Å; R122-D146 HydrophobicContact CB-CB 4.32Å; R122-D146 WeakPolarHBondContact CB-OD2 3.12Å; R122-D146 HydrophobicContact CG-CB 4.01Å
123	G	92.5	Very high	94.3	Very high	8 Å²	8	51.1 Å²	51.1	8%	0.082	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	19.1	-174.1	0	0	0	0	0	114.5	H98 E121 F125 T126	H98-G123 WeakPolarHBondContact CA-O 3.44Å; H98-G123 PolarHBondContact N-O 3.41Å; E121-G123 PolarHBondContact O-N 3.18Å; G123-F125 PolarHBondContact O-N 2.9Å; G123-T126 PolarHBondContact O-OG1 3.15Å
124	A	95.3	Very high	94.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-62.8	-33.5	171.8	0	0	0	0	0	112.6	I95 A99 F100 I120 E121 R122	I95-A124 HydrophobicContact CG2-CB 4.02Å; A99-A124 PolarHBondContact N-O 3.38Å; F100-A124 PolarHBondContact N-O 3.06Å; I120-A124 HydrophobicContact CG2-CB 3.49Å; I120-A124 VanDerWaalsContact CG2-CB 3.49Å; E121-A124 WeakPolarHBondContact O-CB 3.43Å; E121-A124 PolarHBondContact O-N 3.44Å; R122-A124 VanDerWaalsContact C-N 3.29Å; R122-A124 PolarHBondContact O-N 3.22Å
125	F	95.3	Very high	94.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	105.8	174.6	-52.3	-68.6	0	0	0	109.4	F100 I109 I120 G123 L128 L134 I136 L147 T149 I150	F100-F125 HydrophobicContact CB-CD1 4.09Å; F100-F125 AromaticContact CD2-CD1 3.61Å; F100-F125 HydrophobicContact CD2-CD1 3.61Å; F100-F125 AromaticContact CD2-CE1 3.49Å; F100-F125 HydrophobicContact CD2-CE1 3.49Å; F100-F125 VanDerWaalsContact CD2-CE1 3.49Å; F100-F125 HydrophobicContact CE2-CD1 4.24Å; F100-F125 AromaticContact CE2-CE1 3.64Å; F100-F125 HydrophobicContact CE2-CE1 3.64Å; F100-F125 AromaticContact CG-CD1 3.98Å; F100-F125 HydrophobicContact CG-CD1 3.98Å; F100-F125 HydrophobicContact CG-CE1 4.18Å; F100-F125 HydrophobicContact CZ-CE1 4.41Å; I109-F125 HydrophobicContact CD1-CD1 3.96Å; I109-F125 HydrophobicContact CD1-CE1 4.2Å; I109-F125 HydrophobicContact CG2-CE1 4.02Å; I120-F125 HydrophobicContact CD1-CE2 4.37Å; I120-F125 HydrophobicContact CD1-CZ 4.49Å; I120-F125 HydrophobicContact CG2-CE2 3.92Å; I120-F125 HydrophobicContact CG2-CZ 4.5Å; G123-F125 PolarHBondContact O-N 2.9Å; F125-L128 HydrophobicContact CB-CD1 4.08Å; F125-L134 HydrophobicContact CE1-CD1 4.36Å; F125-L134 HydrophobicContact CZ-CD1 4.29Å; F125-I136 HydrophobicContact CE2-CD1 4.36Å; F125-L147 HydrophobicContact CD2-CD2 4.14Å; F125-L147 HydrophobicContact CE2-CD2 4.4Å; F125-T149 CarbonylContact O-C 3.54Å; F125-T149 PolarHBondContact O-OG1 2.97Å; F125-I150 HydrophobicContact CB-CD1 4.21Å; F125-I150 HydrophobicContact CB-CG1 3.68Å
126	T	94.4	Very high	94.9	Very high	21 Å²	21	41.7 Å²	41.7	13%	0.129	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	131.2	-174.8	-56.5	0	0	0	0	111.5	F100 F101 S102 G123 T149	F100-T126 PolarHBondContact O-N 2.87Å; F101-T126 WeakPolarHBondContact CA-O 3.27Å; F101-T126 HydrophobicContact CD2-CG2 3.97Å; F101-T126 HydrophobicContact CE2-CG2 4.03Å; S102-T126 PolarHBondContact N-O 3.22Å; S102-T126 VanDerWaalsContact N-O 3.13Å; G123-T126 PolarHBondContact O-OG1 3.15Å; T126-T149 WeakPolarHBondContact CA-O 3.46Å; T126-T149 PolarHBondContact OG1-OG1 2.74Å
127	D	92.8	Very high	95	Very high	64 Å²	64	41.5 Å²	41.5	34%	0.342	19%	0.186	S	C	.	.			trans	52.4	73.2	176	-170.8	30.6	0	0	0	112.9	S102 P129 T149	S102-D127 WeakPolarHBondContact CA-O 3.47Å; S102-D127 PolarHBondContact N-O 3.16Å; D127-P129 WeakPolarHBondContact O-CD 3.33Å; D127-T149 PolarHBondContact N-O 3.28Å
128	L	94.3	Very high	95	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.198	C	C	.	.			trans	-119.5	75.8	-177.7	-58.3	174.4	0	0	0	109.4	F100 L103 L106 I109 F125 R130 L131 I150 T152	F100-L128 HydrophobicContact CB-CD1 4.46Å; F100-L128 HydrophobicContact CB-CD2 4.39Å; L103-L128 HydrophobicContact CB-CD2 3.91Å; L103-L128 HydrophobicContact CD1-CD2 4.36Å; L103-L128 HydrophobicContact CG-CD2 4.37Å; L106-L128 HydrophobicContact CD2-CD2 4.31Å; I109-L128 HydrophobicContact CD1-CD1 3.65Å; F125-L128 HydrophobicContact CB-CD1 4.08Å; L128-R130 VanDerWaalsContact C-N 3.27Å; L128-R130 PolarHBondContact O-N 3.32Å; L128-R130 VanDerWaalsContact O-N 3.15Å; L128-L131 HydrophobicContact CB-CB 3.97Å; L128-L131 HydrophobicContact CB-CD2 4.39Å; L128-L131 HydrophobicContact CD1-CD2 4Å; L128-L131 WeakPolarHBondContact O-CB 3.39Å; L128-L131 PolarHBondContact O-N 2.77Å; L128-I150 HydrophobicContact CB-CG2 4.42Å; L128-I150 PolarHBondContact N-O 3.21Å; L128-T152 WeakPolarHBondContact O-CA 3.39Å; L128-T152 WeakPolarHBondContact O-CB 3.23Å; L128-T152 PolarHBondContact O-OG1 3.2Å
129	P	92.8	Very high	95.2	Very high	18 Å²	18	39.8 Å²	39.8	12%	0.117	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-18.3	-163.8	25.7	-35.9	0	0	0	115	D127 T152 L153	D127-P129 WeakPolarHBondContact O-CD 3.33Å; P129-T152 PolarHBondContact O-OG1 3.22Å; P129-L153 HydrophobicContact CB-CD1 4Å; P129-L153 HydrophobicContact CB-CG 4.32Å; P129-L153 WeakPolarHBondContact O-CA 3.35Å; P129-L153 WeakPolarHBondContact O-CB 3.45Å; P129-L153 PolarHBondContact O-N 3.09Å
130	R	93.6	Very high	95.1	Very high	149 Å²	149	37.5 Å²	37.5	56%	0.562	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.8	12.3	179.6	-67.7	-164.5	178.7	130.6	-10.9	113.5	H104 L106 A107 L128 E132	H104-R130 WeakPolarHBondContact O-CD 3.18Å; H104-R130 WeakPolarHBondContact O-CG 3.45Å; H104-R130 PolarHBondContact O-NH1 3.48Å; L106-R130 CarbonylContact O-C 2.97Å; L106-R130 VanDerWaalsContact O-C 3.28Å; A107-R130 WeakPolarHBondContact CA-O 3.33Å; L128-R130 VanDerWaalsContact C-N 3.27Å; L128-R130 PolarHBondContact O-N 3.32Å; L128-R130 VanDerWaalsContact O-N 3.15Å; R130-E132 PolarHBondContact O-N 3.25Å
131	L	95.3	Very high	95.1	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.168	C	C	.	.			trans	-68.8	120.2	-177.2	-169	73.1	0	0	0	110.2	L106 I109 L128 L134 I150 T152 A154 I157	L106-L131 PolarHBondContact O-N 3.17Å; I109-L131 HydrophobicContact CB-CD1 4.32Å; I109-L131 HydrophobicContact CD1-CD1 3.86Å; I109-L131 HydrophobicContact CD1-CD2 4.48Å; I109-L131 HydrophobicContact CG1-CD1 3.78Å; L128-L131 HydrophobicContact CB-CB 3.97Å; L128-L131 HydrophobicContact CB-CD2 4.39Å; L128-L131 HydrophobicContact CD1-CD2 4Å; L128-L131 WeakPolarHBondContact O-CB 3.39Å; L128-L131 PolarHBondContact O-N 2.77Å; L131-L134 HydrophobicContact CD2-CB 4.33Å; L131-I150 HydrophobicContact CD2-CG2 3.83Å; L131-T152 PolarHBondContact N-OG1 3.3Å; L131-T152 PolarHBondContact O-OG1 2.85Å; L131-A154 WeakPolarHBondContact O-CB 3.45Å; L131-I157 HydrophobicContact CD2-CD1 4.1Å; L131-I157 HydrophobicContact CG-CD1 4.22Å
132	E	95.5	Very high	95	Very high	114 Å²	114	36.2 Å²	36.2	53%	0.533	17%	0.168	S	C	.	.			trans	-110.6	-24.9	-179.9	-70.1	173.5	-172.4	0	0	111.9	A107 R130 A154 I157 I158	A107-E132 PolarHBondContact O-N 3.19Å; R130-E132 PolarHBondContact O-N 3.25Å; E132-A154 HydrophobicContact CG-CB 4.03Å; E132-I157 WeakPolarHBondContact O-CA 3.5Å; E132-I158 PolarHBondContact O-N 2.89Å
133	Y	97	Very high	95	Very high	48 Å²	48	32.9 Å²	32.9	19%	0.188	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	125.1	-179	-177.4	-82	0	0	0	112.3	A107 Q108 I109 I158 E160	A107-Y133 PolarHBondContact O-N 3.39Å; Q108-Y133 WeakPolarHBondContact CA-O 3.36Å; Q108-Y133 HydrophobicContact CG-CD1 3.56Å; Q108-Y133 HydrophobicContact CG-CE1 4.38Å; Q108-Y133 HydrophobicContact CG-CG 4.17Å; Q108-Y133 VanDerWaalsContact NE2-CD1 3.26Å; I109-Y133 PolarHBondContact N-O 3.15Å; Y133-I158 WeakPolarHBondContact CA-O 3.39Å; Y133-I158 HydrophobicContact CD2-CB 3.81Å; Y133-I158 HydrophobicContact CD2-CD1 4.5Å; Y133-I158 HydrophobicContact CD2-CG2 3.79Å; Y133-I158 HydrophobicContact CE2-CB 4.42Å; Y133-I158 HydrophobicContact CE2-CG2 3.88Å; Y133-E160 PolarHBondContact OH-OE2 3.28Å
134	L	97.1	Very high	95.2	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	118.4	173.2	175.8	59.5	0	0	0	109.7	I109 F125 L131 I136 L147 I150 I158 L159 E160	I109-L134 HydrophobicContact CB-CD1 3.74Å; I109-L134 HydrophobicContact CG2-CD1 3.67Å; I109-L134 WeakPolarHBondContact O-CA 3.42Å; F125-L134 HydrophobicContact CE1-CD1 4.36Å; F125-L134 HydrophobicContact CZ-CD1 4.29Å; L131-L134 HydrophobicContact CD2-CB 4.33Å; L134-I136 HydrophobicContact CD1-CG1 4.42Å; L134-L147 HydrophobicContact CD2-CD2 3.82Å; L134-I150 HydrophobicContact CD2-CD1 3.84Å; L134-I158 PolarHBondContact N-O 3.11Å; L134-L159 HydrophobicContact CB-CD1 4.01Å; L134-L159 HydrophobicContact CD2-CD1 3.8Å; L134-L159 HydrophobicContact CG-CD1 3.88Å; L134-E160 PolarHBondContact O-N 3.47Å
135	S	97.6	Very high	95.1	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128.8	176.2	176.1	0	0	0	0	111.8	I109 S110 V111 Q112 E160	I109-S135 PolarHBondContact O-N 3.48Å; S110-S135 CarbonylContact C-O 3.55Å; S110-S135 WeakPolarHBondContact CA-O 3.47Å; V111-S135 PolarHBondContact N-O 2.83Å; Q112-S135 PolarHBondContact NE2-OG 2.94Å; S135-E160 CarbonylContact C-O 3.55Å; S135-E160 VanDerWaalsContact CA-O 3.27Å; S135-E160 WeakPolarHBondContact CA-O 3.43Å
136	I	96.9	Very high	95.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	102.5	172.4	-57.4	173.8	0	0	0	107.8	V111 I120 F125 L134 T139 L141 P145 E160 M161 A162 N164	V111-I136 CarbonylContact O-C 3.53Å; V111-I136 WeakPolarHBondContact O-CA 3.42Å; I120-I136 HydrophobicContact CD1-CD1 4Å; F125-I136 HydrophobicContact CE2-CD1 4.36Å; L134-I136 HydrophobicContact CD1-CG1 4.42Å; I136-T139 HydrophobicContact CG2-CG2 3.86Å; I136-L141 HydrophobicContact CG2-CD1 3.84Å; I136-P145 HydrophobicContact CD1-CB 4.46Å; I136-P145 HydrophobicContact CD1-CG 3.95Å; I136-E160 PolarHBondContact N-O 3.45Å; I136-M161 WeakPolarHBondContact O-CA 3.21Å; I136-A162 PolarHBondContact O-N 2.98Å; I136-N164 PolarHBondContact O-ND2 2.87Å
137	S	97	Very high	95	Very high	13 Å²	13	34.9 Å²	34.9	9%	0.091	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	146.6	-173.1	71.2	0	0	0	0	115.8	V111 Q112 N113 T139 A162	V111-S137 PolarHBondContact O-N 2.9Å; Q112-S137 CarbonylContact C-O 3.45Å; Q112-S137 VanDerWaalsContact CA-O 3.29Å; Q112-S137 WeakPolarHBondContact CA-O 3.18Å; Q112-S137 VanDerWaalsContact CG-OG 3.23Å; Q112-S137 WeakPolarHBondContact CG-OG 3.46Å; N113-S137 PolarHBondContact N-O 2.93Å; S137-T139 VanDerWaalsContact C-N 3.31Å; S137-T139 WeakPolarHBondContact O-CG2 3.34Å; S137-T139 PolarHBondContact O-N 3.33Å; S137-A162 CarbonylContact C-O 3.54Å; S137-A162 WeakPolarHBondContact CA-O 3.35Å; S137-A162 WeakPolarHBondContact CB-O 3.44Å
138	N	95.8	Very high	95	Very high	47 Å²	47	34.5 Å²	34.5	25%	0.251	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	49.3	51.7	178.3	-171.2	21.4	0	0	0	112.1	N113 I114 A162 D163	N113-N138 WeakPolarHBondContact CA-O 3.49Å; N113-N138 PolarHBondContact OD1-ND2 3.11Å; I114-N138 PolarHBondContact N-O 3.23Å; N138-A162 PolarHBondContact N-O 2.88Å; N138-D163 HydrophobicContact CB-CB 4.16Å
139	T	96.4	Very high	95	Very high	9 Å²	9	36.6 Å²	36.6	6%	0.055	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	164.4	179.1	76.4	0	0	0	0	111.8	I114 L117 I136 S137 L141 N164	I114-T139 WeakPolarHBondContact O-CA 3.43Å; L117-T139 HydrophobicContact CD2-CG2 4.14Å; I136-T139 HydrophobicContact CG2-CG2 3.86Å; S137-T139 VanDerWaalsContact C-N 3.31Å; S137-T139 WeakPolarHBondContact O-CG2 3.34Å; S137-T139 PolarHBondContact O-N 3.33Å; T139-L141 VanDerWaalsContact C-N 3.33Å; T139-L141 WeakPolarHBondContact OG1-CD1 3.3Å; T139-L141 VanDerWaalsContact OG1-CG 3.24Å; T139-L141 WeakPolarHBondContact OG1-CG 3.3Å; T139-N164 WeakPolarHBondContact CB-OD1 3.47Å; T139-N164 PolarHBondContact N-OD1 3.22Å; T139-N164 PolarHBondContact OG1-OD1 2.91Å
140	G	94.4	Very high	95	Very high	5 Å²	5	35.8 Å²	35.8	5%	0.052	18%	0.176	C	C	.	.			trans	-91.4	17.7	175.8	0	0	0	0	0	114.9	I114 L117	I114-G140 PolarHBondContact O-N 3.47Å; L117-G140 CarbonylContact O-C 3.59Å; L117-G140 WeakPolarHBondContact O-CA 3.24Å; L117-G140 PolarHBondContact O-N 3.27Å; L117-G140 VanDerWaalsContact O-O 3.07Å
141	L	95.7	Very high	95	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	17%	0.17	C	C	.	.			trans	-59.1	134.4	-174.5	-72.5	174.5	0	0	0	111.8	L117 R118 I120 I136 T139 R166 I167	L117-L141 HydrophobicContact CD2-CD2 4.09Å; L117-L141 HydrophobicContact CD2-CG 4.25Å; L117-L141 HydrophobicContact CG-CD2 3.89Å; L117-L141 HydrophobicContact CG-CG 4.36Å; L117-L141 PolarHBondContact O-N 3.22Å; R118-L141 WeakPolarHBondContact O-CD2 3.42Å; I120-L141 HydrophobicContact CD1-CD1 3.91Å; I120-L141 HydrophobicContact CD1-CD2 4.4Å; I120-L141 HydrophobicContact CG1-CD1 4.45Å; I120-L141 HydrophobicContact CG1-CD2 4.05Å; I136-L141 HydrophobicContact CG2-CD1 3.84Å; T139-L141 VanDerWaalsContact C-N 3.33Å; T139-L141 WeakPolarHBondContact OG1-CD1 3.3Å; T139-L141 VanDerWaalsContact OG1-CG 3.24Å; T139-L141 WeakPolarHBondContact OG1-CG 3.3Å; L141-R166 CarbonylContact O-C 3.51Å; L141-R166 WeakPolarHBondContact O-CB 3.24Å; L141-I167 HydrophobicContact CB-CD1 3.97Å; L141-I167 HydrophobicContact CB-CG1 4.06Å; L141-I167 HydrophobicContact CD1-CD1 4.43Å; L141-I167 WeakPolarHBondContact O-CG1 3.36Å
142	T	92.3	Very high	94.9	Very high	54 Å²	54	32 Å²	32	33%	0.331	17%	0.172	S	C	.	.	S	Bend	trans	-100.1	-17.5	178.8	58.2	0	0	0	0	113.3	R118	R118-T142 PolarHBondContact O-N 2.95Å
143	H	93.9	Very high	94.8	Very high	138 Å²	138	33.7 Å²	33.7	64%	0.639	18%	0.184	S	C	*	.	S	Bend	trans	-129.9	152.3	-179.9	-60.2	-66.2	0	0	0	110.1
144	F	95.3	Very high	94.5	Very high	27 Å²	27	32 Å²	32	12%	0.118	18%	0.18	C	C	.	.			trans	-62.5	131.5	174.2	-162.9	-86.7	0	0	0	109.8	L147 M161 I167 I170 P171 F175 F192	F144-L147 HydrophobicContact CE1-CD1 4.17Å; F144-L147 HydrophobicContact CE1-CG 4.49Å; F144-L147 HydrophobicContact CZ-CD1 4.41Å; F144-M161 HydrophobicContact CE2-CE 4.2Å; F144-M161 HydrophobicContact CE2-SD 3.66Å; F144-M161 HydrophobicContact CZ-SD 3.74Å; F144-I167 HydrophobicContact CB-CG2 4.26Å; F144-I167 HydrophobicContact CD2-CG2 4.36Å; F144-I170 HydrophobicContact CD2-CG1 4.33Å; F144-I170 HydrophobicContact CE2-CG1 4.32Å; F144-I170 HydrophobicContact CE2-CG2 4.43Å; F144-P171 HydrophobicContact CB-CG 4.17Å; F144-F175 HydrophobicContact CE1-CE1 4.2Å; F144-F175 HydrophobicContact CE1-CZ 4.41Å; F144-F175 HydrophobicContact CE2-CE1 4.37Å; F144-F175 HydrophobicContact CE2-CZ 4.1Å; F144-F175 HydrophobicContact CZ-CD1 4.34Å; F144-F175 AromaticContact CZ-CE1 3.48Å; F144-F175 HydrophobicContact CZ-CE1 3.48Å; F144-F175 VanDerWaalsContact CZ-CE1 3.48Å; F144-F175 HydrophobicContact CZ-CE2 4.5Å; F144-F175 AromaticContact CZ-CZ 3.56Å; F144-F175 HydrophobicContact CZ-CZ 3.56Å; F144-F192 HydrophobicContact CD2-CE1 4.33Å; F144-F192 HydrophobicContact CE2-CZ 4.4Å
145	P	94.8	Very high	94.1	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.032	21%	0.209	C	C	.	.			trans	-70.2	147.5	-179.3	30	-34.7	0	0	0	111.3	I120 I136 L147 M161	I120-P145 HydrophobicContact CB-CB 4.26Å; I120-P145 HydrophobicContact CD1-CB 4.2Å; I120-P145 HydrophobicContact CG2-CB 4.49Å; I136-P145 HydrophobicContact CD1-CB 4.46Å; I136-P145 HydrophobicContact CD1-CG 3.95Å; P145-L147 HydrophobicContact CB-CD2 4.44Å; P145-L147 HydrophobicContact CG-CD2 4.3Å; P145-L147 PolarHBondContact O-N 2.75Å; P145-M161 HydrophobicContact CG-CE 3.79Å
146	D	93.6	Very high	93.8	Very high	38 Å²	38	39.1 Å²	39.1	20%	0.203	23%	0.225	C	C	.	.			trans	-79.3	115.4	175.2	-176.9	8.9	0	0	0	110.2	R122 T148	R122-D146 HydrophobicContact CB-CB 4.32Å; R122-D146 WeakPolarHBondContact CB-OD2 3.12Å; R122-D146 HydrophobicContact CG-CB 4.01Å; D146-T148 WeakPolarHBondContact OD1-CB 3.46Å; D146-T148 WeakPolarHBondContact OD1-CG2 3.37Å; D146-T148 PolarHBondContact OD1-N 3.28Å; D146-T148 VanDerWaalsContact OD1-N 3.09Å; D146-T148 PolarHBondContact OD1-OG1 3.44Å
147	L	94.3	Very high	93.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.225	C	C	.	.			trans	-107.6	2.8	-178.5	-56.3	-179.5	0	0	0	112.3	F125 L134 F144 P145 T149 I150 L159 F175 I178	F125-L147 HydrophobicContact CD2-CD2 4.14Å; F125-L147 HydrophobicContact CE2-CD2 4.4Å; L134-L147 HydrophobicContact CD2-CD2 3.82Å; F144-L147 HydrophobicContact CE1-CD1 4.17Å; F144-L147 HydrophobicContact CE1-CG 4.49Å; F144-L147 HydrophobicContact CZ-CD1 4.41Å; P145-L147 HydrophobicContact CB-CD2 4.44Å; P145-L147 HydrophobicContact CG-CD2 4.3Å; P145-L147 PolarHBondContact O-N 2.75Å; L147-T149 PolarHBondContact O-N 3.22Å; L147-I150 HydrophobicContact CB-CD1 3.95Å; L147-I150 HydrophobicContact CD2-CD1 3.97Å; L147-I150 HydrophobicContact CG-CD1 4.5Å; L147-I150 WeakPolarHBondContact O-CG1 3.21Å; L147-I150 PolarHBondContact O-N 3.31Å; L147-L159 HydrophobicContact CD1-CD1 4.09Å; L147-L159 HydrophobicContact CD1-CD2 3.72Å; L147-F175 HydrophobicContact CD1-CD1 4.3Å; L147-I178 HydrophobicContact CB-CD1 3.84Å; L147-I178 HydrophobicContact CB-CG1 3.91Å; L147-I178 HydrophobicContact CD1-CD1 3.9Å
148	T	92.2	Very high	93.7	Very high	56 Å²	56	42 Å²	42	34%	0.344	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-20.9	-166.7	59.8	0	0	0	0	114.6	D146 Q176	D146-T148 WeakPolarHBondContact OD1-CB 3.46Å; D146-T148 WeakPolarHBondContact OD1-CG2 3.37Å; D146-T148 PolarHBondContact OD1-N 3.28Å; D146-T148 VanDerWaalsContact OD1-N 3.09Å; D146-T148 PolarHBondContact OD1-OG1 3.44Å; T148-Q176 WeakPolarHBondContact CA-O 3.48Å; T148-Q176 WeakPolarHBondContact CB-O 3.23Å; T148-Q176 WeakPolarHBondContact CG2-O 3.29Å
149	T	93.9	Very high	93.8	Very high	45 Å²	45	40 Å²	40	28%	0.276	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	4.8	-176	54.8	0	0	0	0	114.5	F125 T126 D127 L147	F125-T149 CarbonylContact O-C 3.54Å; F125-T149 PolarHBondContact O-OG1 2.97Å; T126-T149 WeakPolarHBondContact CA-O 3.46Å; T126-T149 PolarHBondContact OG1-OG1 2.74Å; D127-T149 PolarHBondContact N-O 3.28Å; L147-T149 PolarHBondContact O-N 3.22Å
150	I	93.6	Very high	93.8	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	24%	0.236	C	C	.	.			trans	-64.9	-48.5	-175.9	-71.5	172.2	0	0	0	112.1	F125 L128 L131 L134 L147 T152 I178	F125-I150 HydrophobicContact CB-CD1 4.21Å; F125-I150 HydrophobicContact CB-CG1 3.68Å; L128-I150 HydrophobicContact CB-CG2 4.42Å; L128-I150 PolarHBondContact N-O 3.21Å; L131-I150 HydrophobicContact CD2-CG2 3.83Å; L134-I150 HydrophobicContact CD2-CD1 3.84Å; L147-I150 HydrophobicContact CB-CD1 3.95Å; L147-I150 HydrophobicContact CD2-CD1 3.97Å; L147-I150 HydrophobicContact CG-CD1 4.5Å; L147-I150 WeakPolarHBondContact O-CG1 3.21Å; L147-I150 PolarHBondContact O-N 3.31Å; I150-T152 PolarHBondContact O-N 3.29Å; I150-I178 HydrophobicContact CD1-CG1 4.48Å
151	S	92.7	Very high	94	Very high	63 Å²	63	41.6 Å²	41.6	44%	0.441	23%	0.233	S	C	.	.			trans	48.6	52.9	176.6	-53.5	0	0	0	0	114.7	G177 I178	S151-G177 WeakPolarHBondContact CA-O 3.43Å; S151-G177 PolarHBondContact N-O 3.49Å; S151-I178 PolarHBondContact N-O 2.88Å
152	T	93.4	Very high	94	Very high	6 Å²	6	41.9 Å²	41.9	4%	0.037	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-71.5	148.8	175.9	-169.8	0	0	0	0	111.7	L128 P129 L131 I150 A154 I157 I178	L128-T152 WeakPolarHBondContact O-CA 3.39Å; L128-T152 WeakPolarHBondContact O-CB 3.23Å; L128-T152 PolarHBondContact O-OG1 3.2Å; P129-T152 PolarHBondContact O-OG1 3.22Å; L131-T152 PolarHBondContact N-OG1 3.3Å; L131-T152 PolarHBondContact O-OG1 2.85Å; I150-T152 PolarHBondContact O-N 3.29Å; T152-A154 HydrophobicContact CG2-CB 4.44Å; T152-A154 WeakPolarHBondContact OG1-CB 3.38Å; T152-A154 PolarHBondContact OG1-N 2.88Å; T152-I157 HydrophobicContact CG2-CB 4.36Å; T152-I157 HydrophobicContact CG2-CD1 3.98Å; T152-I157 HydrophobicContact CG2-CG2 4.35Å; T152-I178 VanDerWaalsContact CG2-O 3.3Å; T152-I178 WeakPolarHBondContact CG2-O 3.48Å; T152-I178 PolarHBondContact N-O 3.38Å
153	L	92.7	Very high	94.2	Very high	149 Å²	149	41.6 Å²	41.6	78%	0.78	23%	0.232	S	C	*	.			trans	-103.6	4.5	172.9	-61.6	169.1	0	0	0	111.7	P129	P129-L153 HydrophobicContact CB-CD1 4Å; P129-L153 HydrophobicContact CB-CG 4.32Å; P129-L153 WeakPolarHBondContact O-CA 3.35Å; P129-L153 WeakPolarHBondContact O-CB 3.45Å; P129-L153 PolarHBondContact O-N 3.09Å
154	A	90.9	Very high	94.3	Very high	13 Å²	13	35 Å²	35	11%	0.107	20%	0.202	C	C	.	.			trans	-65.3	144.7	174.4	0	0	0	0	0	111.1	L131 E132 T152 T179	L131-A154 WeakPolarHBondContact O-CB 3.45Å; E132-A154 HydrophobicContact CG-CB 4.03Å; T152-A154 HydrophobicContact CG2-CB 4.44Å; T152-A154 WeakPolarHBondContact OG1-CB 3.38Å; T152-A154 PolarHBondContact OG1-N 2.88Å; A154-T179 PolarHBondContact O-OG1 2.93Å
155	S	89.3	Confident	94.3	Very high	89 Å²	89	39.3 Å²	39.3	62%	0.622	22%	0.224	S	C	*	.	S	Bend	trans	-69.8	-37	-178.7	53.4	0	0	0	0	113.2	E181 Y182	S155-E181 WeakPolarHBondContact O-CB 3.33Å; S155-Y182 PolarHBondContact O-N 2.97Å
156	D	91	Very high	94.3	Very high	61 Å²	61	45.2 Å²	45.2	33%	0.326	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	130.2	177	-80.3	-14.6	0	0	0	107.9	Y182 K206	D156-Y182 WeakPolarHBondContact OD1-CB 3.2Å; D156-K206 IonicContact OD2-NZ 3.75Å; D156-K206 PolarHBondContact OD2-NZ 2.78Å
157	I	95.2	Very high	94.4	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	133.3	172.1	-176.6	174.5	0	0	0	110.6	L131 E132 T152 I178 T179 Y182 V183 D184	L131-I157 HydrophobicContact CD2-CD1 4.1Å; L131-I157 HydrophobicContact CG-CD1 4.22Å; E132-I157 WeakPolarHBondContact O-CA 3.5Å; T152-I157 HydrophobicContact CG2-CB 4.36Å; T152-I157 HydrophobicContact CG2-CD1 3.98Å; T152-I157 HydrophobicContact CG2-CG2 4.35Å; I157-I178 HydrophobicContact CD1-CG2 3.85Å; I157-I178 HydrophobicContact CG2-CG2 3.96Å; I157-T179 HydrophobicContact CG2-CG2 3.75Å; I157-Y182 PolarHBondContact N-O 2.89Å; I157-V183 HydrophobicContact CG2-CB 4.28Å; I157-V183 HydrophobicContact CG2-CG1 4.11Å; I157-V183 HydrophobicContact CG2-CG2 3.77Å; I157-V183 WeakPolarHBondContact O-CA 3.41Å; I157-D184 PolarHBondContact O-N 3.39Å
158	I	97.1	Very high	94.4	Very high	73 Å²	73	46.5 Å²	46.5	37%	0.374	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	118.6	175.7	-58.8	172.1	0	0	0	108.8	E132 Y133 L134 D184	E132-I158 PolarHBondContact O-N 2.89Å; Y133-I158 WeakPolarHBondContact CA-O 3.39Å; Y133-I158 HydrophobicContact CD2-CB 3.81Å; Y133-I158 HydrophobicContact CD2-CD1 4.5Å; Y133-I158 HydrophobicContact CD2-CG2 3.79Å; Y133-I158 HydrophobicContact CE2-CB 4.42Å; Y133-I158 HydrophobicContact CE2-CG2 3.88Å; L134-I158 PolarHBondContact N-O 3.11Å; I158-D184 WeakPolarHBondContact CA-O 3.37Å; I158-D184 HydrophobicContact CG1-CB 4.18Å
159	L	97	Very high	94.7	Very high	3 Å²	3	47 Å²	47	2%	0.016	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	113	173.2	179.4	63.8	0	0	0	109.6	L134 L147 F175 I178 D184 N186	L134-L159 HydrophobicContact CB-CD1 4.01Å; L134-L159 HydrophobicContact CD2-CD1 3.8Å; L134-L159 HydrophobicContact CG-CD1 3.88Å; L147-L159 HydrophobicContact CD1-CD1 4.09Å; L147-L159 HydrophobicContact CD1-CD2 3.72Å; L159-F175 HydrophobicContact CD2-CD1 3.61Å; L159-F175 HydrophobicContact CD2-CE1 3.46Å; L159-F175 VanDerWaalsContact CD2-CE1 3.46Å; L159-I178 HydrophobicContact CD2-CD1 4.29Å; L159-D184 PolarHBondContact N-O 3.38Å; L159-N186 PolarHBondContact O-N 2.69Å
160	E	97.8	Very high	94.8	Very high	49 Å²	49	44.9 Å²	44.9	23%	0.229	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	118.3	177.7	-170.6	177.2	148.3	0	0	111	Y133 L134 S135 I136 N186	Y133-E160 PolarHBondContact OH-OE2 3.28Å; L134-E160 PolarHBondContact O-N 3.47Å; S135-E160 CarbonylContact C-O 3.55Å; S135-E160 VanDerWaalsContact CA-O 3.27Å; S135-E160 WeakPolarHBondContact CA-O 3.43Å; I136-E160 PolarHBondContact N-O 3.45Å; E160-N186 CarbonylContact C-O 3.49Å; E160-N186 WeakPolarHBondContact CA-O 3.49Å; E160-N186 HydrophobicContact CB-CB 4.49Å; E160-N186 HydrophobicContact CG-CB 4.32Å
161	M	96.8	Very high	95	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	114.1	169.2	-60.3	-172.1	74.1	0	0	108.8	I136 F144 P145 I167 N186 L187 V188 N190	I136-M161 WeakPolarHBondContact O-CA 3.21Å; F144-M161 HydrophobicContact CE2-CE 4.2Å; F144-M161 HydrophobicContact CE2-SD 3.66Å; F144-M161 HydrophobicContact CZ-SD 3.74Å; P145-M161 HydrophobicContact CG-CE 3.79Å; M161-I167 HydrophobicContact CE-CD1 4.03Å; M161-N186 PolarHBondContact N-O 3.13Å; M161-L187 HydrophobicContact CB-CD2 3.75Å; M161-L187 HydrophobicContact CG-CD2 3.93Å; M161-L187 CarbonylContact O-C 3.5Å; M161-L187 WeakPolarHBondContact O-CA 3.37Å; M161-L187 HydrophobicContact SD-CD2 4.16Å; M161-V188 PolarHBondContact O-N 3.28Å; M161-N190 PolarHBondContact O-ND2 3.41Å
162	A	96.9	Very high	95.2	Very high	7 Å²	7	46.7 Å²	46.7	6%	0.058	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	143.9	-175.1	0	0	0	0	0	113.1	I136 S137 N138 N164 V188	I136-A162 PolarHBondContact O-N 2.98Å; S137-A162 CarbonylContact C-O 3.54Å; S137-A162 WeakPolarHBondContact CA-O 3.35Å; S137-A162 WeakPolarHBondContact CB-O 3.44Å; N138-A162 PolarHBondContact N-O 2.88Å; A162-N164 PolarHBondContact N-ND2 3.01Å; A162-N164 PolarHBondContact O-N 3.02Å; A162-N164 VanDerWaalsContact O-N 3.15Å; A162-N164 PolarHBondContact O-ND2 3.15Å; A162-V188 VanDerWaalsContact CA-O 3.25Å; A162-V188 WeakPolarHBondContact CA-O 3.4Å
163	D	96.3	Very high	95.3	Very high	49 Å²	49	49 Å²	49	26%	0.262	27%	0.266	S	S	.	.	S	Bend	trans	60.8	25.8	171.5	-58.8	-67.9	0	0	0	114.5	N138 M165 V188 R189	N138-D163 HydrophobicContact CB-CB 4.16Å; D163-M165 PolarHBondContact O-N 2.88Å; D163-V188 PolarHBondContact N-O 3.4Å; D163-R189 WeakPolarHBondContact CA-O 3.15Å; D163-R189 PolarHBondContact N-O 2.89Å; D163-R189 IonicContact OD1-CZ 3.73Å; D163-R189 IonicContact OD1-NE 3.32Å; D163-R189 PolarHBondContact OD1-NE 2.8Å; D163-R189 IonicContact OD1-NH2 3.87Å; D163-R189 IonicContact OD2-CZ 2.66Å; D163-R189 IonicContact OD2-NE 2.82Å; D163-R189 PolarHBondContact OD2-NE 3.11Å; D163-R189 IonicContact OD2-NH2 3.15Å; D163-R189 PolarHBondContact OD2-NH2 2.85Å
164	N	96.3	Very high	95.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.232	C	C	.	.			trans	-92.9	76.9	175.4	-53.7	-69.4	0	0	0	110.6	I136 T139 A162 R166 I167 N190 G191	I136-N164 PolarHBondContact O-ND2 2.87Å; T139-N164 WeakPolarHBondContact CB-OD1 3.47Å; T139-N164 PolarHBondContact N-OD1 3.22Å; T139-N164 PolarHBondContact OG1-OD1 2.91Å; A162-N164 PolarHBondContact N-ND2 3.01Å; A162-N164 PolarHBondContact O-N 3.02Å; A162-N164 VanDerWaalsContact O-N 3.15Å; A162-N164 PolarHBondContact O-ND2 3.15Å; N164-R166 PolarHBondContact O-N 3.07Å; N164-R166 VanDerWaalsContact O-N 3.1Å; N164-I167 HydrophobicContact CB-CD1 3.68Å; N164-I167 HydrophobicContact CB-CG1 4.06Å; N164-I167 PolarHBondContact O-N 3.25Å; N164-N190 VanDerWaalsContact CB-OD1 3.24Å; N164-N190 WeakPolarHBondContact CB-OD1 3.35Å; N164-N190 PolarHBondContact N-OD1 3.21Å; N164-N190 VanDerWaalsContact N-OD1 3.07Å; N164-N190 PolarHBondContact ND2-OD1 3.3Å; N164-N190 VanDerWaalsContact ND2-OD1 3.15Å; N164-G191 PolarHBondContact O-N 3.18Å
165	M	95.1	Very high	95.6	Very high	116 Å²	116	41.9 Å²	41.9	57%	0.571	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-10.1	-169.5	-62.7	-58.1	-65.5	0	0	115.8	D163 R189	D163-M165 PolarHBondContact O-N 2.88Å; M165-R189 VanDerWaalsContact SD-O 3.37Å
166	R	95.4	Very high	95.8	Very high	130 Å²	130	42 Å²	42	49%	0.491	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-2	-176.2	-70.9	-176.6	-178.2	167.2	0.3	113.9	L141 N164	L141-R166 CarbonylContact O-C 3.51Å; L141-R166 WeakPolarHBondContact O-CB 3.24Å; N164-R166 PolarHBondContact O-N 3.07Å; N164-R166 VanDerWaalsContact O-N 3.1Å
167	I	95.4	Very high	95.6	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	22%	0.217	C	C	.	.			trans	-89.1	109.4	175.3	-50.9	177.8	0	0	0	107.9	L141 F144 M161 N164 G191 F192	L141-I167 HydrophobicContact CB-CD1 3.97Å; L141-I167 HydrophobicContact CB-CG1 4.06Å; L141-I167 HydrophobicContact CD1-CD1 4.43Å; L141-I167 WeakPolarHBondContact O-CG1 3.36Å; F144-I167 HydrophobicContact CB-CG2 4.26Å; F144-I167 HydrophobicContact CD2-CG2 4.36Å; M161-I167 HydrophobicContact CE-CD1 4.03Å; N164-I167 HydrophobicContact CB-CD1 3.68Å; N164-I167 HydrophobicContact CB-CG1 4.06Å; N164-I167 PolarHBondContact O-N 3.25Å; I167-G191 CarbonylContact O-C 2.81Å; I167-G191 WeakPolarHBondContact O-CA 3.33Å; I167-F192 HydrophobicContact CB-CD1 4.4Å; I167-F192 HydrophobicContact CB-CE1 3.95Å; I167-F192 HydrophobicContact CG2-CD1 4.13Å; I167-F192 HydrophobicContact CG2-CE1 3.6Å; I167-F192 WeakPolarHBondContact O-CD1 3.11Å; I167-F192 PolarHBondContact O-N 3.49Å; I167-F192 VanDerWaalsContact O-N 3.13Å
168	D	94.7	Very high	95.5	Very high	63 Å²	63	40.6 Å²	40.6	34%	0.337	22%	0.217	S	C	.	.			trans	-87.9	-28.7	-172	-79.4	-9.1	0	0	0	113.7	F192 K193 E194	D168-F192 CarbonylContact O-C 3.07Å; D168-K193 HydrophobicContact CB-CD 4.18Å; D168-K193 WeakPolarHBondContact O-CB 3.37Å; D168-K193 PolarHBondContact O-N 2.93Å; D168-K193 WeakPolarHBondContact OD1-CE 3.48Å; D168-K193 IonicContact OD1-NZ 2.77Å; D168-K193 PolarHBondContact OD1-NZ 3.24Å; D168-K193 IonicContact OD2-NZ 3.23Å; D168-K193 PolarHBondContact OD2-NZ 2.95Å; D168-E194 PolarHBondContact O-N 3.15Å
169	I	96.8	Very high	95.4	Very high	67 Å²	67	37.6 Å²	37.6	34%	0.344	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	143.6	-169.1	-59.9	174.5	0	0	0	109.4	P171 E194 K196	I169-P171 WeakPolarHBondContact O-CD 3.43Å; I169-E194 WeakPolarHBondContact CA-O 3.27Å; I169-K196 HydrophobicContact CG2-CD 4.36Å; I169-K196 HydrophobicContact CG2-CG 3.71Å
170	I	97.3	Very high	95.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	109.8	162.7	-56.8	-177.2	0	0	0	108.3	F144 F175 L187 F192 E194 I195 K196 A199	F144-I170 HydrophobicContact CD2-CG1 4.33Å; F144-I170 HydrophobicContact CE2-CG1 4.32Å; F144-I170 HydrophobicContact CE2-CG2 4.43Å; I170-F175 HydrophobicContact CG2-CE2 3.76Å; I170-F175 HydrophobicContact CG2-CZ 4.14Å; I170-L187 HydrophobicContact CD1-CD1 3.91Å; I170-F192 HydrophobicContact CD1-CD1 4.49Å; I170-F192 HydrophobicContact CD1-CD2 4.09Å; I170-F192 HydrophobicContact CD1-CE1 4.33Å; I170-F192 HydrophobicContact CD1-CE2 3.92Å; I170-F192 HydrophobicContact CD1-CG 4.39Å; I170-F192 HydrophobicContact CD1-CZ 4.05Å; I170-F192 HydrophobicContact CG1-CD1 3.9Å; I170-F192 HydrophobicContact CG1-CD2 4.38Å; I170-F192 HydrophobicContact CG1-CE1 3.79Å; I170-F192 HydrophobicContact CG1-CE2 4.29Å; I170-F192 HydrophobicContact CG1-CG 4.21Å; I170-F192 HydrophobicContact CG1-CZ 4.01Å; I170-E194 PolarHBondContact N-O 2.88Å; I170-I195 HydrophobicContact CB-CG1 4.38Å; I170-I195 HydrophobicContact CB-CG2 4.34Å; I170-I195 HydrophobicContact CD1-CD1 4.06Å; I170-I195 HydrophobicContact CD1-CG1 4.03Å; I170-I195 HydrophobicContact CG1-CG1 4.36Å; I170-K196 WeakPolarHBondContact O-CB 3.29Å; I170-K196 PolarHBondContact O-N 3.08Å; I170-K196 VanDerWaalsContact O-N 3.09Å; I170-A199 HydrophobicContact CG2-CB 4.04Å
171	P	96.9	Very high	94.8	Very high	55 Å²	55	47.9 Å²	47.9	36%	0.357	25%	0.248	S	C	.	.			trans	-65.7	166.8	179	-21.9	33	0	0	0	114.3	F144 I169 S174 A199	F144-P171 HydrophobicContact CB-CG 4.17Å; I169-P171 WeakPolarHBondContact O-CD 3.43Å; P171-S174 VanDerWaalsContact C-OG 3.27Å; P171-S174 VanDerWaalsContact CD-OG 3.23Å; P171-S174 WeakPolarHBondContact CD-OG 3.43Å; P171-S174 PolarHBondContact O-OG 2.9Å; P171-A199 WeakPolarHBondContact O-CA 3.45Å
172	A	96.6	Very high	94.7	Very high	48 Å²	48	52.8 Å²	52.8	40%	0.397	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	144.8	169.7	0	0	0	0	0	111.5	S174 S197	A172-S174 PolarHBondContact O-N 2.81Å; A172-S174 VanDerWaalsContact O-N 3.16Å; A172-S197 VanDerWaalsContact CB-O 3.27Å; A172-S197 WeakPolarHBondContact CB-O 3.43Å
173	N	95.7	Very high	94.6	Very high	55 Å²	55	52.5 Å²	52.5	29%	0.294	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	23.8	177.9	-48.6	-57.4	0	0	0	114.8	F175 Q176 H198 N201	N173-F175 PolarHBondContact O-N 2.89Å; N173-F175 VanDerWaalsContact O-N 3.11Å; N173-Q176 HydrophobicContact CB-CB 4.18Å; N173-Q176 PolarHBondContact O-N 2.92Å; N173-H198 PolarHBondContact N-O 2.89Å; N173-N201 WeakPolarHBondContact OD1-CB 3.44Å; N173-N201 PolarHBondContact OD1-ND2 2.9Å
174	S	95.1	Very high	94.6	Very high	10 Å²	10	51.5 Å²	51.5	7%	0.07	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.3	-173.5	-69.3	0	0	0	0	114.2	P171 A172 A199	P171-S174 VanDerWaalsContact C-OG 3.27Å; P171-S174 VanDerWaalsContact CD-OG 3.23Å; P171-S174 WeakPolarHBondContact CD-OG 3.43Å; P171-S174 PolarHBondContact O-OG 2.9Å; A172-S174 PolarHBondContact O-N 2.81Å; A172-S174 VanDerWaalsContact O-N 3.16Å; S174-A199 PolarHBondContact N-O 2.78Å
175	F	94.9	Very high	94.7	Very high	1 Å²	1	51.6 Å²	51.6	0%	0.004	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	2.6	-175.1	-53.2	-77.6	0	0	0	113.2	F144 L147 L159 I170 N173 G177 I178 M185 L187 A199 F200 T203	F144-F175 HydrophobicContact CE1-CE1 4.2Å; F144-F175 HydrophobicContact CE1-CZ 4.41Å; F144-F175 HydrophobicContact CE2-CE1 4.37Å; F144-F175 HydrophobicContact CE2-CZ 4.1Å; F144-F175 HydrophobicContact CZ-CD1 4.34Å; F144-F175 AromaticContact CZ-CE1 3.48Å; F144-F175 HydrophobicContact CZ-CE1 3.48Å; F144-F175 VanDerWaalsContact CZ-CE1 3.48Å; F144-F175 HydrophobicContact CZ-CE2 4.5Å; F144-F175 AromaticContact CZ-CZ 3.56Å; F144-F175 HydrophobicContact CZ-CZ 3.56Å; L147-F175 HydrophobicContact CD1-CD1 4.3Å; L159-F175 HydrophobicContact CD2-CD1 3.61Å; L159-F175 HydrophobicContact CD2-CE1 3.46Å; L159-F175 VanDerWaalsContact CD2-CE1 3.46Å; I170-F175 HydrophobicContact CG2-CE2 3.76Å; I170-F175 HydrophobicContact CG2-CZ 4.14Å; N173-F175 PolarHBondContact O-N 2.89Å; N173-F175 VanDerWaalsContact O-N 3.11Å; F175-G177 PolarHBondContact O-N 2.81Å; F175-I178 HydrophobicContact CB-CD1 3.92Å; F175-I178 HydrophobicContact CD1-CD1 3.96Å; F175-I178 HydrophobicContact CG-CD1 4.45Å; F175-I178 WeakPolarHBondContact O-CG1 3.45Å; F175-I178 PolarHBondContact O-N 3.13Å; F175-M185 HydrophobicContact CB-CE 3.58Å; F175-M185 HydrophobicContact CD1-CE 3.56Å; F175-M185 HydrophobicContact CD1-SD 3.92Å; F175-M185 HydrophobicContact CD2-CE 3.93Å; F175-M185 HydrophobicContact CD2-SD 4.11Å; F175-M185 HydrophobicContact CE1-CE 4.17Å; F175-M185 HydrophobicContact CE1-SD 3.9Å; F175-M185 HydrophobicContact CE2-SD 4.11Å; F175-M185 HydrophobicContact CG-CE 3.41Å; F175-M185 VanDerWaalsContact CG-CE 3.41Å; F175-M185 HydrophobicContact CG-SD 4.03Å; F175-M185 HydrophobicContact CZ-SD 4.01Å; F175-L187 HydrophobicContact CZ-CD1 4.06Å; F175-A199 WeakPolarHBondContact CD2-O 3.31Å; F175-F200 AromaticContact CD2-CD1 3.63Å; F175-F200 HydrophobicContact CD2-CD1 3.63Å; F175-F200 AromaticContact CD2-CE1 3.94Å; F175-F200 HydrophobicContact CD2-CE1 3.94Å; F175-F200 AromaticContact CE2-CD1 3.67Å; F175-F200 HydrophobicContact CE2-CD1 3.67Å; F175-F200 AromaticContact CE2-CE1 3.46Å; F175-F200 HydrophobicContact CE2-CE1 3.46Å; F175-F200 VanDerWaalsContact CE2-CE1 3.46Å; F175-F200 HydrophobicContact CE2-CZ 4.39Å; F175-F200 HydrophobicContact CZ-CE1 4.21Å; F175-T203 HydrophobicContact CB-CG2 3.69Å; F175-T203 WeakPolarHBondContact O-CG2 3.35Å
176	Q	92.9	Very high	94.8	Very high	91 Å²	91	48.2 Å²	48.2	43%	0.425	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	133.2	-178.8	-173.3	-179.8	17.2	0	0	110.1	T148 N173	T148-Q176 WeakPolarHBondContact CA-O 3.48Å; T148-Q176 WeakPolarHBondContact CB-O 3.23Å; T148-Q176 WeakPolarHBondContact CG2-O 3.29Å; N173-Q176 HydrophobicContact CB-CB 4.18Å; N173-Q176 PolarHBondContact O-N 2.92Å
177	G	88.6	Confident	94.9	Very high	30 Å²	30	42 Å²	42	31%	0.309	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	4.1	177.1	0	0	0	0	0	115.2	S151 F175	S151-G177 WeakPolarHBondContact CA-O 3.43Å; S151-G177 PolarHBondContact N-O 3.49Å; F175-G177 PolarHBondContact O-N 2.81Å
178	I	93.1	Very high	94.9	Very high	4 Å²	4	43 Å²	43	2%	0.021	23%	0.227	C	C	.	.	S	Bend	trans	-63.9	-58.5	169.3	-66.4	177.1	0	0	0	109.9	L147 I150 S151 T152 I157 L159 F175	L147-I178 HydrophobicContact CB-CD1 3.84Å; L147-I178 HydrophobicContact CB-CG1 3.91Å; L147-I178 HydrophobicContact CD1-CD1 3.9Å; I150-I178 HydrophobicContact CD1-CG1 4.48Å; S151-I178 PolarHBondContact N-O 2.88Å; T152-I178 VanDerWaalsContact CG2-O 3.3Å; T152-I178 WeakPolarHBondContact CG2-O 3.48Å; T152-I178 PolarHBondContact N-O 3.38Å; I157-I178 HydrophobicContact CD1-CG2 3.85Å; I157-I178 HydrophobicContact CG2-CG2 3.96Å; L159-I178 HydrophobicContact CD2-CD1 4.29Å; F175-I178 HydrophobicContact CB-CD1 3.92Å; F175-I178 HydrophobicContact CD1-CD1 3.96Å; F175-I178 HydrophobicContact CG-CD1 4.45Å; F175-I178 WeakPolarHBondContact O-CG1 3.45Å; F175-I178 PolarHBondContact O-N 3.13Å
179	T	93.3	Very high	95	Very high	11 Å²	11	45.3 Å²	45.3	7%	0.067	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-147.9	161.2	177.7	-175.8	0	0	0	0	110.3	A154 I157 E181 V183	A154-T179 PolarHBondContact O-OG1 2.93Å; I157-T179 HydrophobicContact CG2-CG2 3.75Å; T179-E181 PolarHBondContact OG1-N 2.84Å; T179-E181 VanDerWaalsContact OG1-N 3.08Å; T179-V183 HydrophobicContact CG2-CG2 3.34Å
180	K	90.8	Very high	95	Very high	183 Å²	183	42.2 Å²	42.2	80%	0.796	22%	0.215	S	C	*	.	S	Bend	trans	-91.2	-11.2	167.9	-65.7	-177.5	-179.9	177.8	0	112.9	K204	K180-K204 VanDerWaalsContact O-CE 3.31Å; K180-K204 WeakPolarHBondContact O-CE 3.43Å; K180-K204 PolarHBondContact O-NZ 2.97Å
181	E	93	Very high	94.9	Very high	84 Å²	84	42.2 Å²	42.2	39%	0.393	22%	0.215	S	C	.	.	S	Bend	trans	-99.3	-150.4	178.3	-56.9	-54.7	157.4	0	0	111.1	S155 T179 K204	S155-E181 WeakPolarHBondContact O-CB 3.33Å; T179-E181 PolarHBondContact OG1-N 2.84Å; T179-E181 VanDerWaalsContact OG1-N 3.08Å; E181-K204 WeakPolarHBondContact O-CB 3.35Å; E181-K204 IonicContact OE2-NZ 3.72Å; E181-K204 PolarHBondContact OE2-NZ 2.82Å
182	Y	93.4	Very high	94.9	Very high	103 Å²	103	39.6 Å²	39.6	40%	0.404	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	147.8	-172	-70.2	-84.8	0	0	0	112.9	S155 D156 I157 K204 K206	S155-Y182 PolarHBondContact O-N 2.97Å; D156-Y182 WeakPolarHBondContact OD1-CB 3.2Å; I157-Y182 PolarHBondContact N-O 2.89Å; Y182-K204 CarbonylContact C-O 3.53Å; Y182-K204 WeakPolarHBondContact CA-O 3.46Å; Y182-K204 HydrophobicContact CD1-CB 3.75Å; Y182-K204 HydrophobicContact CE1-CB 4Å; Y182-K204 HydrophobicContact CE1-CD 4.49Å; Y182-K204 HydrophobicContact CG-CB 4.31Å; Y182-K206 HydrophobicContact CD1-CB 4.32Å
183	V	95.3	Very high	94.9	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.012	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133	177	-172.3	0	0	0	0	110.1	I157 T179 M185 K204 K206	I157-V183 HydrophobicContact CG2-CB 4.28Å; I157-V183 HydrophobicContact CG2-CG1 4.11Å; I157-V183 HydrophobicContact CG2-CG2 3.77Å; I157-V183 WeakPolarHBondContact O-CA 3.41Å; T179-V183 HydrophobicContact CG2-CG2 3.34Å; V183-M185 HydrophobicContact CB-CE 4.19Å; V183-M185 HydrophobicContact CG1-CE 3.74Å; V183-M185 HydrophobicContact CG1-CG 3.66Å; V183-K204 PolarHBondContact N-O 3.06Å; V183-K206 PolarHBondContact O-N 3.41Å
184	D	96.9	Very high	94.9	Very high	28 Å²	28	40.4 Å²	40.4	15%	0.15	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	115.2	166.5	-76	-56.5	0	0	0	109.1	I157 I158 L159 K206 S207	I157-D184 PolarHBondContact O-N 3.39Å; I158-D184 WeakPolarHBondContact CA-O 3.37Å; I158-D184 HydrophobicContact CG1-CB 4.18Å; L159-D184 PolarHBondContact N-O 3.38Å; D184-K206 WeakPolarHBondContact OD1-CB 3.39Å; D184-S207 VanDerWaalsContact OD1-CB 3.31Å; D184-S207 WeakPolarHBondContact OD1-CB 3.41Å; D184-S207 PolarHBondContact OD1-N 3.15Å; D184-S207 PolarHBondContact OD1-OG 3.35Å
185	M	97.1	Very high	95.1	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	112.2	-175.6	-65.9	-169.7	-175	0	0	111.3	F175 V183 L187 F200 L205 S207 L208 I209	F175-M185 HydrophobicContact CB-CE 3.58Å; F175-M185 HydrophobicContact CD1-CE 3.56Å; F175-M185 HydrophobicContact CD1-SD 3.92Å; F175-M185 HydrophobicContact CD2-CE 3.93Å; F175-M185 HydrophobicContact CD2-SD 4.11Å; F175-M185 HydrophobicContact CE1-CE 4.17Å; F175-M185 HydrophobicContact CE1-SD 3.9Å; F175-M185 HydrophobicContact CE2-SD 4.11Å; F175-M185 HydrophobicContact CG-CE 3.41Å; F175-M185 VanDerWaalsContact CG-CE 3.41Å; F175-M185 HydrophobicContact CG-SD 4.03Å; F175-M185 HydrophobicContact CZ-SD 4.01Å; V183-M185 HydrophobicContact CB-CE 4.19Å; V183-M185 HydrophobicContact CG1-CE 3.74Å; V183-M185 HydrophobicContact CG1-CG 3.66Å; M185-L187 HydrophobicContact CB-CG 4.38Å; M185-F200 HydrophobicContact CE-CD1 4.4Å; M185-F200 HydrophobicContact SD-CD1 3.91Å; M185-F200 HydrophobicContact SD-CE1 3.8Å; M185-L205 HydrophobicContact CE-CD2 3.43Å; M185-L205 VanDerWaalsContact CE-CD2 3.43Å; M185-L205 HydrophobicContact CG-CD2 4.02Å; M185-L205 HydrophobicContact SD-CD2 3.56Å; M185-L205 VanDerWaalsContact SD-CD2 3.56Å; M185-S207 PolarHBondContact N-O 3.21Å; M185-L208 HydrophobicContact CB-CD1 3.84Å; M185-L208 HydrophobicContact SD-CD1 4.48Å; M185-I209 PolarHBondContact O-N 3.12Å
186	N	97.5	Very high	95.2	Very high	45 Å²	45	42.8 Å²	42.8	24%	0.241	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	93	177.2	-165	20.6	0	0	0	110.6	L159 E160 M161 V188	L159-N186 PolarHBondContact O-N 2.69Å; E160-N186 CarbonylContact C-O 3.49Å; E160-N186 WeakPolarHBondContact CA-O 3.49Å; E160-N186 HydrophobicContact CB-CB 4.49Å; E160-N186 HydrophobicContact CG-CB 4.32Å; M161-N186 PolarHBondContact N-O 3.13Å; N186-V188 WeakPolarHBondContact OD1-CG2 3.45Å
187	L	97	Very high	95.4	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	69.8	-170.6	-60.1	-175.9	0	0	0	110.9	M161 I170 F175 M185 N190 F192 L208 I209 L210 N213	M161-L187 HydrophobicContact CB-CD2 3.75Å; M161-L187 HydrophobicContact CG-CD2 3.93Å; M161-L187 CarbonylContact O-C 3.5Å; M161-L187 WeakPolarHBondContact O-CA 3.37Å; M161-L187 HydrophobicContact SD-CD2 4.16Å; I170-L187 HydrophobicContact CD1-CD1 3.91Å; F175-L187 HydrophobicContact CZ-CD1 4.06Å; M185-L187 HydrophobicContact CB-CG 4.38Å; L187-N190 VanDerWaalsContact C-ND2 3.31Å; L187-F192 HydrophobicContact CB-CE2 4.17Å; L187-L208 HydrophobicContact CD1-CD1 4.14Å; L187-I209 CarbonylContact C-O 3.56Å; L187-I209 WeakPolarHBondContact CA-O 3.31Å; L187-I209 WeakPolarHBondContact CB-O 3.5Å; L187-I209 PolarHBondContact N-O 2.85Å; L187-L210 HydrophobicContact CB-CD2 4.02Å; L187-L210 HydrophobicContact CD1-CD2 4.06Å; L187-N213 PolarHBondContact O-ND2 2.79Å
188	V	96.8	Very high	95.7	Very high	22 Å²	22	41.7 Å²	41.7	13%	0.133	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	144.3	-165.3	-164.9	0	0	0	0	112.5	M161 A162 D163 N186 N190 I209 R211	M161-V188 PolarHBondContact O-N 3.28Å; A162-V188 VanDerWaalsContact CA-O 3.25Å; A162-V188 WeakPolarHBondContact CA-O 3.4Å; D163-V188 PolarHBondContact N-O 3.4Å; N186-V188 WeakPolarHBondContact OD1-CG2 3.45Å; V188-N190 VanDerWaalsContact C-N 3.26Å; V188-N190 PolarHBondContact N-ND2 3.04Å; V188-N190 PolarHBondContact O-N 3.03Å; V188-N190 PolarHBondContact O-ND2 3.23Å; V188-I209 HydrophobicContact CG2-CG2 4.02Å; V188-R211 VanDerWaalsContact CA-O 3.31Å; V188-R211 WeakPolarHBondContact CA-O 3.49Å; V188-R211 HydrophobicContact CG1-CB 4.21Å; V188-R211 WeakPolarHBondContact CG1-O 3.49Å
189	R	96	Very high	95.9	Very high	111 Å²	111	41.5 Å²	41.5	42%	0.419	19%	0.188	S	C	.	.	S	Bend	trans	52.9	37.7	173.8	-69.6	-170.5	-51.2	-116.8	-1.7	114.1	D163 M165 R211 D212	D163-R189 WeakPolarHBondContact CA-O 3.15Å; D163-R189 PolarHBondContact N-O 2.89Å; D163-R189 IonicContact OD1-CZ 3.73Å; D163-R189 IonicContact OD1-NE 3.32Å; D163-R189 PolarHBondContact OD1-NE 2.8Å; D163-R189 IonicContact OD1-NH2 3.87Å; D163-R189 IonicContact OD2-CZ 2.66Å; D163-R189 IonicContact OD2-NE 2.82Å; D163-R189 PolarHBondContact OD2-NE 3.11Å; D163-R189 IonicContact OD2-NH2 3.15Å; D163-R189 PolarHBondContact OD2-NH2 2.85Å; M165-R189 VanDerWaalsContact SD-O 3.37Å; R189-R211 PolarHBondContact N-O 3.24Å; R189-D212 WeakPolarHBondContact CD-OD2 3.43Å; R189-D212 HydrophobicContact CG-CB 3.67Å; R189-D212 WeakPolarHBondContact CG-OD2 3.45Å
190	N	97.1	Very high	96.1	Very high	2 Å²	2	41 Å²	41	1%	0.011	19%	0.185	C	C	.	.			trans	-96.1	169.5	175	-62.4	-71.2	0	0	0	111.6	M161 N164 L187 V188 F192 N213	M161-N190 PolarHBondContact O-ND2 3.41Å; N164-N190 VanDerWaalsContact CB-OD1 3.24Å; N164-N190 WeakPolarHBondContact CB-OD1 3.35Å; N164-N190 PolarHBondContact N-OD1 3.21Å; N164-N190 VanDerWaalsContact N-OD1 3.07Å; N164-N190 PolarHBondContact ND2-OD1 3.3Å; N164-N190 VanDerWaalsContact ND2-OD1 3.15Å; L187-N190 VanDerWaalsContact C-ND2 3.31Å; V188-N190 VanDerWaalsContact C-N 3.26Å; V188-N190 PolarHBondContact N-ND2 3.04Å; V188-N190 PolarHBondContact O-N 3.03Å; V188-N190 PolarHBondContact O-ND2 3.23Å; N190-F192 HydrophobicContact CB-CD1 4.31Å; N190-F192 HydrophobicContact CB-CD2 3.62Å; N190-F192 HydrophobicContact CB-CE1 4.17Å; N190-F192 HydrophobicContact CB-CE2 3.44Å; N190-F192 VanDerWaalsContact CB-CE2 3.44Å; N190-F192 HydrophobicContact CB-CG 4.04Å; N190-F192 HydrophobicContact CB-CZ 3.75Å; N190-F192 WeakPolarHBondContact ND2-CE2 3.19Å; N190-F192 PolarHBondContact O-N 3.27Å; N190-N213 WeakPolarHBondContact CA-OD1 3.45Å; N190-N213 WeakPolarHBondContact CB-OD1 3.33Å; N190-N213 PolarHBondContact N-OD1 3.31Å; N190-N213 PolarHBondContact O-OD1 3.08Å
191	G	95.6	Very high	96.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.159	C	C	.	.			trans	-76.9	8.7	177.6	0	0	0	0	0	115.2	N164 I167 K193	N164-G191 PolarHBondContact O-N 3.18Å; I167-G191 CarbonylContact O-C 2.81Å; I167-G191 WeakPolarHBondContact O-CA 3.33Å; G191-K193 PolarHBondContact O-N 2.92Å
192	F	96.9	Very high	96.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.161	C	C	.	.			trans	-58.5	133	-170.6	-56.9	-43.2	0	0	0	111.7	F144 I167 D168 I170 L187 N190 N215 L216	F144-F192 HydrophobicContact CD2-CE1 4.33Å; F144-F192 HydrophobicContact CE2-CZ 4.4Å; I167-F192 HydrophobicContact CB-CD1 4.4Å; I167-F192 HydrophobicContact CB-CE1 3.95Å; I167-F192 HydrophobicContact CG2-CD1 4.13Å; I167-F192 HydrophobicContact CG2-CE1 3.6Å; I167-F192 WeakPolarHBondContact O-CD1 3.11Å; I167-F192 PolarHBondContact O-N 3.49Å; I167-F192 VanDerWaalsContact O-N 3.13Å; D168-F192 CarbonylContact O-C 3.07Å; I170-F192 HydrophobicContact CD1-CD1 4.49Å; I170-F192 HydrophobicContact CD1-CD2 4.09Å; I170-F192 HydrophobicContact CD1-CE1 4.33Å; I170-F192 HydrophobicContact CD1-CE2 3.92Å; I170-F192 HydrophobicContact CD1-CG 4.39Å; I170-F192 HydrophobicContact CD1-CZ 4.05Å; I170-F192 HydrophobicContact CG1-CD1 3.9Å; I170-F192 HydrophobicContact CG1-CD2 4.38Å; I170-F192 HydrophobicContact CG1-CE1 3.79Å; I170-F192 HydrophobicContact CG1-CE2 4.29Å; I170-F192 HydrophobicContact CG1-CG 4.21Å; I170-F192 HydrophobicContact CG1-CZ 4.01Å; L187-F192 HydrophobicContact CB-CE2 4.17Å; N190-F192 HydrophobicContact CB-CD1 4.31Å; N190-F192 HydrophobicContact CB-CD2 3.62Å; N190-F192 HydrophobicContact CB-CE1 4.17Å; N190-F192 HydrophobicContact CB-CE2 3.44Å; N190-F192 VanDerWaalsContact CB-CE2 3.44Å; N190-F192 HydrophobicContact CB-CG 4.04Å; N190-F192 HydrophobicContact CB-CZ 3.75Å; N190-F192 WeakPolarHBondContact ND2-CE2 3.19Å; N190-F192 PolarHBondContact O-N 3.27Å; F192-N215 CarbonylContact O-C 3.58Å; F192-L216 HydrophobicContact CB-CD1 4.43Å; F192-L216 WeakPolarHBondContact O-CA 3.31Å; F192-L216 WeakPolarHBondContact O-CB 3.48Å; F192-L216 PolarHBondContact O-N 2.65Å
193	K	95.8	Very high	96.4	Very high	82 Å²	82	27.9 Å²	27.9	36%	0.357	14%	0.144	S	C	.	.			trans	-108.1	-40.3	176.5	-67.8	174.2	-172.8	161.9	0	110.9	D168 G191 N215 H217	D168-K193 HydrophobicContact CB-CD 4.18Å; D168-K193 WeakPolarHBondContact O-CB 3.37Å; D168-K193 PolarHBondContact O-N 2.93Å; D168-K193 WeakPolarHBondContact OD1-CE 3.48Å; D168-K193 IonicContact OD1-NZ 2.77Å; D168-K193 PolarHBondContact OD1-NZ 3.24Å; D168-K193 IonicContact OD2-NZ 3.23Å; D168-K193 PolarHBondContact OD2-NZ 2.95Å; G191-K193 PolarHBondContact O-N 2.92Å; K193-N215 WeakPolarHBondContact CA-O 3.39Å; K193-N215 HydrophobicContact CG-CB 4.15Å; K193-H217 PolarHBondContact O-CE1 3.2Å; K193-H217 PolarHBondContact O-N 3.31Å; K193-H217 VanDerWaalsContact O-N 3.13Å; K193-H217 PolarHBondContact O-ND1 2.85Å
194	E	96.9	Very high	96.4	Very high	38 Å²	38	31 Å²	31	18%	0.178	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	141.7	-175	-169.8	-173.2	168.7	0	0	112	D168 I169 I170 K196 H218 Q220	D168-E194 PolarHBondContact O-N 3.15Å; I169-E194 WeakPolarHBondContact CA-O 3.27Å; I170-E194 PolarHBondContact N-O 2.88Å; E194-K196 IonicContact OE1-NZ 2.79Å; E194-K196 PolarHBondContact OE1-NZ 2.79Å; E194-K196 IonicContact OE2-NZ 3.4Å; E194-K196 PolarHBondContact OE2-NZ 2.85Å; E194-H218 VanDerWaalsContact CA-O 3.31Å; E194-H218 WeakPolarHBondContact CA-O 3.25Å; E194-H218 HydrophobicContact CG-CB 4.37Å; E194-Q220 PolarHBondContact OE1-NE2 2.75Å
195	I	97.7	Very high	96.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	122.3	167.8	-57.8	-177.3	0	0	0	108.6	I170 A199 F200 L210 L216 H218 I219 Q220 A223	I170-I195 HydrophobicContact CB-CG1 4.38Å; I170-I195 HydrophobicContact CB-CG2 4.34Å; I170-I195 HydrophobicContact CD1-CD1 4.06Å; I170-I195 HydrophobicContact CD1-CG1 4.03Å; I170-I195 HydrophobicContact CG1-CG1 4.36Å; I195-A199 HydrophobicContact CG2-CB 3.52Å; I195-F200 HydrophobicContact CD1-CZ 4.42Å; I195-F200 HydrophobicContact CG2-CE2 3.95Å; I195-F200 HydrophobicContact CG2-CZ 4.41Å; I195-L210 HydrophobicContact CD1-CD1 3.79Å; I195-L210 HydrophobicContact CD1-CD2 3.96Å; I195-L216 HydrophobicContact CD1-CD1 4.44Å; I195-L216 HydrophobicContact CD1-CD2 4.35Å; I195-L216 HydrophobicContact CG1-CD1 4Å; I195-H218 PolarHBondContact N-O 3.36Å; I195-H218 VanDerWaalsContact N-O 3.12Å; I195-I219 HydrophobicContact CB-CG1 4.27Å; I195-I219 HydrophobicContact CB-CG2 4.36Å; I195-I219 HydrophobicContact CD1-CD1 4.28Å; I195-I219 HydrophobicContact CD1-CG1 4.03Å; I195-I219 HydrophobicContact CG1-CG1 4.29Å; I195-Q220 WeakPolarHBondContact O-CG 3.44Å; I195-Q220 PolarHBondContact O-N 2.98Å; I195-A223 HydrophobicContact CG2-CB 4.19Å
196	K	97.6	Very high	96.1	Very high	62 Å²	62	34 Å²	34	27%	0.27	17%	0.169	S	C	.	.			trans	-76.5	161	-176.4	-64.9	-65.8	177.8	-168	0	112.8	I169 I170 E194 A199	I169-K196 HydrophobicContact CG2-CD 4.36Å; I169-K196 HydrophobicContact CG2-CG 3.71Å; I170-K196 WeakPolarHBondContact O-CB 3.29Å; I170-K196 PolarHBondContact O-N 3.08Å; I170-K196 VanDerWaalsContact O-N 3.09Å; E194-K196 IonicContact OE1-NZ 2.79Å; E194-K196 PolarHBondContact OE1-NZ 2.79Å; E194-K196 IonicContact OE2-NZ 3.4Å; E194-K196 PolarHBondContact OE2-NZ 2.85Å; K196-A199 WeakPolarHBondContact O-CB 3.3Å; K196-A199 PolarHBondContact O-N 2.85Å
197	S	96.6	Very high	96.1	Very high	31 Å²	31	32.8 Å²	32.8	22%	0.217	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	143.5	171.7	-66.6	0	0	0	0	110.3	A172 A199 Q220	A172-S197 VanDerWaalsContact CB-O 3.27Å; A172-S197 WeakPolarHBondContact CB-O 3.43Å; S197-A199 PolarHBondContact O-N 3.47Å; S197-A199 VanDerWaalsContact O-N 3.11Å; S197-Q220 PolarHBondContact OG-OE1 3.4Å
198	H	96.4	Very high	96.1	Very high	66 Å²	66	32.8 Å²	32.8	31%	0.306	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	23.4	-177.3	-51.9	-69	0	0	0	114.2	N173 F200 N201 D222 E225	N173-H198 PolarHBondContact N-O 2.89Å; H198-F200 PolarHBondContact O-N 3.17Å; H198-N201 HydrophobicContact CB-CB 3.84Å; H198-N201 VanDerWaalsContact O-CB 3.3Å; H198-N201 WeakPolarHBondContact O-CB 3.41Å; H198-N201 PolarHBondContact O-N 3.24Å; H198-D222 PolarHBondContact N-O 2.77Å; H198-E225 IonicContact CE1-OE2 2.74Å; H198-E225 PolarHBondContact CE1-OE2 3.27Å; H198-E225 VanDerWaalsContact CE1-OE2 3.28Å; H198-E225 PolarHBondContact ND1-O 3.09Å
199	A	96.9	Very high	96.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-39.3	177.5	0	0	0	0	0	112.2	I170 P171 S174 F175 I195 K196 S197 A223	I170-A199 HydrophobicContact CG2-CB 4.04Å; P171-A199 WeakPolarHBondContact O-CA 3.45Å; S174-A199 PolarHBondContact N-O 2.78Å; F175-A199 WeakPolarHBondContact CD2-O 3.31Å; I195-A199 HydrophobicContact CG2-CB 3.52Å; K196-A199 WeakPolarHBondContact O-CB 3.3Å; K196-A199 PolarHBondContact O-N 2.85Å; S197-A199 PolarHBondContact O-N 3.47Å; S197-A199 VanDerWaalsContact O-N 3.11Å; A199-A223 PolarHBondContact N-O 3.24Å
200	F	96.3	Very high	96.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	12.6	-177.9	-55.4	-74.4	0	0	0	113.8	F175 M185 I195 H198 G202 T203 L205 L208 A223 F224 A227	F175-F200 AromaticContact CD2-CD1 3.63Å; F175-F200 HydrophobicContact CD2-CD1 3.63Å; F175-F200 AromaticContact CD2-CE1 3.94Å; F175-F200 HydrophobicContact CD2-CE1 3.94Å; F175-F200 AromaticContact CE2-CD1 3.67Å; F175-F200 HydrophobicContact CE2-CD1 3.67Å; F175-F200 AromaticContact CE2-CE1 3.46Å; F175-F200 HydrophobicContact CE2-CE1 3.46Å; F175-F200 VanDerWaalsContact CE2-CE1 3.46Å; F175-F200 HydrophobicContact CE2-CZ 4.39Å; F175-F200 HydrophobicContact CZ-CE1 4.21Å; M185-F200 HydrophobicContact CE-CD1 4.4Å; M185-F200 HydrophobicContact SD-CD1 3.91Å; M185-F200 HydrophobicContact SD-CE1 3.8Å; I195-F200 HydrophobicContact CD1-CZ 4.42Å; I195-F200 HydrophobicContact CG2-CE2 3.95Å; I195-F200 HydrophobicContact CG2-CZ 4.41Å; H198-F200 PolarHBondContact O-N 3.17Å; F200-G202 PolarHBondContact O-N 3.07Å; F200-T203 PolarHBondContact O-N 3.18Å; F200-T203 PolarHBondContact O-OG1 3.03Å; F200-L205 HydrophobicContact CB-CD1 3.93Å; F200-L205 HydrophobicContact CD1-CD1 3.99Å; F200-L205 HydrophobicContact CD1-CD2 4.32Å; F200-L205 HydrophobicContact CG-CD1 3.93Å; F200-L208 HydrophobicContact CE1-CD1 3.98Å; F200-L208 HydrophobicContact CE1-CD2 4.14Å; F200-L208 HydrophobicContact CE2-CD2 3.99Å; F200-L208 HydrophobicContact CZ-CD1 4.02Å; F200-L208 HydrophobicContact CZ-CD2 3.65Å; F200-A223 PolarHBondContact N-O 3.28Å; F200-F224 AromaticContact CD2-CD1 3.79Å; F200-F224 HydrophobicContact CD2-CD1 3.79Å; F200-F224 AromaticContact CD2-CE1 3.69Å; F200-F224 HydrophobicContact CD2-CE1 3.69Å; F200-F224 HydrophobicContact CD2-CG 4.48Å; F200-F224 HydrophobicContact CD2-CZ 4.32Å; F200-F224 HydrophobicContact CE2-CD1 4.34Å; F200-F224 AromaticContact CE2-CE1 3.8Å; F200-F224 HydrophobicContact CE2-CE1 3.8Å; F200-F224 HydrophobicContact CE2-CZ 4.05Å; F200-F224 HydrophobicContact CG-CD1 4.44Å; F200-F224 HydrophobicContact CG-CE1 4.45Å; F200-A227 HydrophobicContact CB-CB 3.96Å; F200-A227 WeakPolarHBondContact O-CB 3.19Å
201	N	95.6	Very high	96.2	Very high	46 Å²	46	33.7 Å²	33.7	25%	0.246	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	136.8	-176.3	178	28.9	0	0	0	112.7	N173 H198 T203	N173-N201 WeakPolarHBondContact OD1-CB 3.44Å; N173-N201 PolarHBondContact OD1-ND2 2.9Å; H198-N201 HydrophobicContact CB-CB 3.84Å; H198-N201 VanDerWaalsContact O-CB 3.3Å; H198-N201 WeakPolarHBondContact O-CB 3.41Å; H198-N201 PolarHBondContact O-N 3.24Å; N201-T203 VanDerWaalsContact C-N 3.33Å
202	G	92.9	Very high	96.2	Very high	43 Å²	43	35.3 Å²	35.3	44%	0.443	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	21.8	179.3	0	0	0	0	0	114.1	F200 G226	F200-G202 PolarHBondContact O-N 3.07Å; G202-G226 PolarHBondContact N-O 3.27Å
203	T	94.9	Very high	96.2	Very high	6 Å²	6	35.3 Å²	35.3	4%	0.037	18%	0.176	C	C	.	.			trans	-120.5	148.9	177.3	69	0	0	0	0	112.1	F175 F200 N201 A227 T228	F175-T203 HydrophobicContact CB-CG2 3.69Å; F175-T203 WeakPolarHBondContact O-CG2 3.35Å; F200-T203 PolarHBondContact O-N 3.18Å; F200-T203 PolarHBondContact O-OG1 3.03Å; N201-T203 VanDerWaalsContact C-N 3.33Å; T203-A227 CarbonylContact O-C 3.53Å; T203-A227 WeakPolarHBondContact O-CA 3.41Å; T203-T228 PolarHBondContact O-N 2.58Å
204	K	95.1	Very high	96.2	Very high	69 Å²	69	39.8 Å²	39.8	30%	0.3	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	105.4	167.7	-56.5	174.8	-179.4	159.1	0	108.4	K180 E181 Y182 V183 T228	K180-K204 VanDerWaalsContact O-CE 3.31Å; K180-K204 WeakPolarHBondContact O-CE 3.43Å; K180-K204 PolarHBondContact O-NZ 2.97Å; E181-K204 WeakPolarHBondContact O-CB 3.35Å; E181-K204 IonicContact OE2-NZ 3.72Å; E181-K204 PolarHBondContact OE2-NZ 2.82Å; Y182-K204 CarbonylContact C-O 3.53Å; Y182-K204 WeakPolarHBondContact CA-O 3.46Å; Y182-K204 HydrophobicContact CD1-CB 3.75Å; Y182-K204 HydrophobicContact CE1-CB 4Å; Y182-K204 HydrophobicContact CE1-CD 4.49Å; Y182-K204 HydrophobicContact CG-CB 4.31Å; V183-K204 PolarHBondContact N-O 3.06Å; K204-T228 CarbonylContact C-O 3.6Å; K204-T228 WeakPolarHBondContact CA-O 3.31Å
205	L	94.9	Very high	96.1	Very high	1 Å²	1	42 Å²	42	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	124.6	-178.5	-63.4	172.6	0	0	0	109.9	M185 F200 F224 A227 T228 G229 P230	M185-L205 HydrophobicContact CE-CD2 3.43Å; M185-L205 VanDerWaalsContact CE-CD2 3.43Å; M185-L205 HydrophobicContact CG-CD2 4.02Å; M185-L205 HydrophobicContact SD-CD2 3.56Å; M185-L205 VanDerWaalsContact SD-CD2 3.56Å; F200-L205 HydrophobicContact CB-CD1 3.93Å; F200-L205 HydrophobicContact CD1-CD1 3.99Å; F200-L205 HydrophobicContact CD1-CD2 4.32Å; F200-L205 HydrophobicContact CG-CD1 3.93Å; L205-F224 HydrophobicContact CD1-CD1 4.22Å; L205-F224 HydrophobicContact CD1-CE1 4.19Å; L205-A227 HydrophobicContact CD1-CB 4.43Å; L205-T228 PolarHBondContact N-O 2.88Å; L205-G229 WeakPolarHBondContact O-CA 3.28Å; L205-P230 HydrophobicContact CB-CB 3.93Å; L205-P230 WeakPolarHBondContact O-CA 2.86Å
206	K	94.3	Very high	96.1	Very high	91 Å²	91	42 Å²	42	40%	0.396	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	-54.2	170.2	-177.5	179.1	-178.9	-176.5	0	110	D156 Y182 V183 D184 S231 Y232	D156-K206 IonicContact OD2-NZ 3.75Å; D156-K206 PolarHBondContact OD2-NZ 2.78Å; Y182-K206 HydrophobicContact CD1-CB 4.32Å; V183-K206 PolarHBondContact O-N 3.41Å; D184-K206 WeakPolarHBondContact OD1-CB 3.39Å; K206-S231 WeakPolarHBondContact O-CB 3.4Å; K206-S231 PolarHBondContact O-N 3.11Å; K206-Y232 PolarHBondContact O-N 2.82Å; K206-Y232 VanDerWaalsContact O-N 3.11Å
207	S	96.6	Very high	95.9	Very high	19 Å²	19	43.8 Å²	43.8	13%	0.133	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	141.9	172.7	68.9	0	0	0	0	112.2	D184 M185 Y232	D184-S207 VanDerWaalsContact OD1-CB 3.31Å; D184-S207 WeakPolarHBondContact OD1-CB 3.41Å; D184-S207 PolarHBondContact OD1-N 3.15Å; D184-S207 PolarHBondContact OD1-OG 3.35Å; M185-S207 PolarHBondContact N-O 3.21Å; S207-Y232 WeakPolarHBondContact CA-O 3.36Å
208	L	97.6	Very high	95.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	111.7	171.4	177.3	60.9	0	0	0	109.7	M185 L187 F200 L210 F224 P230 Y232 L233 D234	M185-L208 HydrophobicContact CB-CD1 3.84Å; M185-L208 HydrophobicContact SD-CD1 4.48Å; L187-L208 HydrophobicContact CD1-CD1 4.14Å; F200-L208 HydrophobicContact CE1-CD1 3.98Å; F200-L208 HydrophobicContact CE1-CD2 4.14Å; F200-L208 HydrophobicContact CE2-CD2 3.99Å; F200-L208 HydrophobicContact CZ-CD1 4.02Å; F200-L208 HydrophobicContact CZ-CD2 3.65Å; L208-L210 HydrophobicContact CD1-CD2 4.41Å; L208-L210 HydrophobicContact CD1-CG 4.2Å; L208-L210 HydrophobicContact CD2-CD1 4.14Å; L208-L210 HydrophobicContact CG-CD1 4.27Å; L208-L210 HydrophobicContact CG-CG 4.16Å; L208-F224 HydrophobicContact CD2-CE1 3.55Å; L208-F224 HydrophobicContact CD2-CZ 3.68Å; L208-P230 HydrophobicContact CB-CB 4.11Å; L208-P230 HydrophobicContact CB-CG 4.33Å; L208-Y232 PolarHBondContact N-O 3.33Å; L208-L233 HydrophobicContact CB-CD1 4.19Å; L208-L233 HydrophobicContact CD2-CD1 4.03Å; L208-L233 HydrophobicContact CG-CD1 4.11Å; L208-L233 WeakPolarHBondContact O-CA 3.34Å; L208-D234 PolarHBondContact O-N 2.95Å
209	I	98.1	Very high	95.9	Very high	37 Å²	37	43.2 Å²	43.2	19%	0.19	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	110.8	-179.4	-54.9	176.8	0	0	0	108.5	M185 L187 V188 R211 Y232 D234	M185-I209 PolarHBondContact O-N 3.12Å; L187-I209 CarbonylContact C-O 3.56Å; L187-I209 WeakPolarHBondContact CA-O 3.31Å; L187-I209 WeakPolarHBondContact CB-O 3.5Å; L187-I209 PolarHBondContact N-O 2.85Å; V188-I209 HydrophobicContact CG2-CG2 4.02Å; I209-R211 HydrophobicContact CG2-CB 3.88Å; I209-Y232 HydrophobicContact CD1-CE1 4.38Å; I209-Y232 HydrophobicContact CG1-CD1 4.31Å; I209-Y232 HydrophobicContact CG1-CE1 4.06Å; I209-D234 HydrophobicContact CG1-CB 4.45Å; I209-D234 HydrophobicContact CG2-CB 4.16Å
210	L	97.3	Very high	95.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.217	C	C	.	.			trans	-109	25	177.7	-69.3	168.5	0	0	0	112	L187 I195 L208 N213 L216 I219 D234 V235 T238	L187-L210 HydrophobicContact CB-CD2 4.02Å; L187-L210 HydrophobicContact CD1-CD2 4.06Å; I195-L210 HydrophobicContact CD1-CD1 3.79Å; I195-L210 HydrophobicContact CD1-CD2 3.96Å; L208-L210 HydrophobicContact CD1-CD2 4.41Å; L208-L210 HydrophobicContact CD1-CG 4.2Å; L208-L210 HydrophobicContact CD2-CD1 4.14Å; L208-L210 HydrophobicContact CG-CD1 4.27Å; L208-L210 HydrophobicContact CG-CG 4.16Å; L210-N213 WeakPolarHBondContact CA-ND2 3.33Å; L210-N213 PolarHBondContact O-ND2 2.85Å; L210-L216 HydrophobicContact CB-CD2 4.37Å; L210-L216 HydrophobicContact CD1-CD2 4.3Å; L210-L216 HydrophobicContact CD2-CD2 4.47Å; L210-I219 HydrophobicContact CD1-CD1 4.18Å; L210-D234 WeakPolarHBondContact CA-O 3.35Å; L210-D234 PolarHBondContact N-O 2.95Å; L210-V235 HydrophobicContact CD1-CG1 4.38Å; L210-T238 VanDerWaalsContact O-CG2 3.28Å; L210-T238 WeakPolarHBondContact O-CG2 3.44Å
211	R	96.5	Very high	95.7	Very high	116 Å²	116	48.6 Å²	48.6	44%	0.438	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	142	-172.3	179.8	175.3	172.6	-171.2	-0.5	113.4	V188 R189 I209 N213 S236 F237	V188-R211 VanDerWaalsContact CA-O 3.31Å; V188-R211 WeakPolarHBondContact CA-O 3.49Å; V188-R211 HydrophobicContact CG1-CB 4.21Å; V188-R211 WeakPolarHBondContact CG1-O 3.49Å; R189-R211 PolarHBondContact N-O 3.24Å; I209-R211 HydrophobicContact CG2-CB 3.88Å; R211-N213 PolarHBondContact O-N 3.04Å; R211-N213 VanDerWaalsContact O-N 3.15Å; R211-S236 VanDerWaalsContact CA-O 3.31Å; R211-S236 WeakPolarHBondContact CA-O 3.44Å; R211-F237 HydrophobicContact CG-CD2 4.17Å
212	D	96.2	Very high	95.7	Very high	34 Å²	34	48.5 Å²	48.5	18%	0.182	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	21.7	174.6	-154.9	13.4	0	0	0	114	R189 R214 S236 F237	R189-D212 WeakPolarHBondContact CD-OD2 3.43Å; R189-D212 HydrophobicContact CG-CB 3.67Å; R189-D212 WeakPolarHBondContact CG-OD2 3.45Å; D212-R214 VanDerWaalsContact C-N 3.28Å; D212-R214 PolarHBondContact O-N 2.82Å; D212-R214 VanDerWaalsContact O-N 3.09Å; D212-R214 IonicContact OD1-CZ 3.28Å; D212-R214 IonicContact OD1-NE 2.85Å; D212-R214 PolarHBondContact OD1-NE 2.81Å; D212-R214 IonicContact OD1-NH2 3.39Å; D212-R214 PolarHBondContact OD1-NH2 3.43Å; D212-S236 PolarHBondContact N-O 2.92Å; D212-F237 HydrophobicContact CB-CB 4.3Å
213	N	96.8	Very high	95.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.21	C	C	.	.			trans	-80.3	77	164.8	-66.7	-53.9	0	0	0	109.5	L187 N190 L210 R211 N215 L216 T238	L187-N213 PolarHBondContact O-ND2 2.79Å; N190-N213 WeakPolarHBondContact CA-OD1 3.45Å; N190-N213 WeakPolarHBondContact CB-OD1 3.33Å; N190-N213 PolarHBondContact N-OD1 3.31Å; N190-N213 PolarHBondContact O-OD1 3.08Å; L210-N213 WeakPolarHBondContact CA-ND2 3.33Å; L210-N213 PolarHBondContact O-ND2 2.85Å; R211-N213 PolarHBondContact O-N 3.04Å; R211-N213 VanDerWaalsContact O-N 3.15Å; N213-N215 PolarHBondContact O-N 3.1Å; N213-N215 VanDerWaalsContact O-N 3.11Å; N213-L216 HydrophobicContact CB-CB 3.81Å; N213-L216 HydrophobicContact CB-CD2 4.28Å; N213-L216 VanDerWaalsContact O-CB 3.3Å; N213-L216 WeakPolarHBondContact O-CB 3.38Å; N213-L216 PolarHBondContact O-N 2.85Å; N213-T238 HydrophobicContact CB-CG2 4.34Å
214	R	94.4	Very high	95.9	Very high	177 Å²	177	46.4 Å²	46.4	67%	0.668	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-24.5	-169.6	-60.9	-175.9	-174.9	-166.1	0.6	115.2	D212 A239	D212-R214 VanDerWaalsContact C-N 3.28Å; D212-R214 PolarHBondContact O-N 2.82Å; D212-R214 VanDerWaalsContact O-N 3.09Å; D212-R214 IonicContact OD1-CZ 3.28Å; D212-R214 IonicContact OD1-NE 2.85Å; D212-R214 PolarHBondContact OD1-NE 2.81Å; D212-R214 IonicContact OD1-NH2 3.39Å; D212-R214 PolarHBondContact OD1-NH2 3.43Å; R214-A239 VanDerWaalsContact O-CB 3.29Å; R214-A239 WeakPolarHBondContact O-CB 3.31Å
215	N	95.8	Very high	95.9	Very high	84 Å²	84	47.9 Å²	47.9	45%	0.449	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-6	-179.6	-62.7	-35.9	0	0	0	113	F192 K193 N213 H217	F192-N215 CarbonylContact O-C 3.58Å; K193-N215 WeakPolarHBondContact CA-O 3.39Å; K193-N215 HydrophobicContact CG-CB 4.15Å; N213-N215 PolarHBondContact O-N 3.1Å; N213-N215 VanDerWaalsContact O-N 3.11Å; N215-H217 PolarHBondContact O-N 2.86Å; N215-H217 VanDerWaalsContact O-N 3.13Å; N215-H217 PolarHBondContact O-ND1 2.9Å
216	L	96.9	Very high	95.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.242	C	C	.	.			trans	-74.9	105.8	-177.2	178.1	62.9	0	0	0	108.4	F192 I195 L210 N213 T238 A239 L240	F192-L216 HydrophobicContact CB-CD1 4.43Å; F192-L216 WeakPolarHBondContact O-CA 3.31Å; F192-L216 WeakPolarHBondContact O-CB 3.48Å; F192-L216 PolarHBondContact O-N 2.65Å; I195-L216 HydrophobicContact CD1-CD1 4.44Å; I195-L216 HydrophobicContact CD1-CD2 4.35Å; I195-L216 HydrophobicContact CG1-CD1 4Å; L210-L216 HydrophobicContact CB-CD2 4.37Å; L210-L216 HydrophobicContact CD1-CD2 4.3Å; L210-L216 HydrophobicContact CD2-CD2 4.47Å; N213-L216 HydrophobicContact CB-CB 3.81Å; N213-L216 HydrophobicContact CB-CD2 4.28Å; N213-L216 VanDerWaalsContact O-CB 3.3Å; N213-L216 WeakPolarHBondContact O-CB 3.38Å; N213-L216 PolarHBondContact O-N 2.85Å; L216-T238 HydrophobicContact CD2-CG2 4.38Å; L216-A239 CarbonylContact O-C 3.59Å; L216-A239 WeakPolarHBondContact O-CA 3.09Å; L216-A239 PolarHBondContact O-N 2.74Å; L216-L240 HydrophobicContact CD1-CD2 4.48Å; L216-L240 HydrophobicContact CD2-CD2 4.37Å; L216-L240 HydrophobicContact CG-CD2 3.87Å; L216-L240 HydrophobicContact CG-CG 4.33Å; L216-L240 PolarHBondContact O-N 2.93Å; L216-L240 VanDerWaalsContact O-N 3.1Å
217	H	95.1	Very high	95.7	Very high	99 Å²	99	46.9 Å²	46.9	46%	0.458	23%	0.231	S	C	.	.			trans	-114.7	-18.1	-175	56.7	-83.7	0	0	0	113	K193 N215 A239	K193-H217 PolarHBondContact O-CE1 3.2Å; K193-H217 PolarHBondContact O-N 3.31Å; K193-H217 VanDerWaalsContact O-N 3.13Å; K193-H217 PolarHBondContact O-ND1 2.85Å; N215-H217 PolarHBondContact O-N 2.86Å; N215-H217 VanDerWaalsContact O-N 3.13Å; N215-H217 PolarHBondContact O-ND1 2.9Å; H217-A239 WeakPolarHBondContact CA-O 3.44Å; H217-A239 HydrophobicContact CB-CB 4.44Å
218	H	95.7	Very high	95.6	Very high	76 Å²	76	48.9 Å²	48.9	35%	0.352	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	130.2	-178.4	-168.6	57.8	0	0	0	112.8	E194 I195	E194-H218 VanDerWaalsContact CA-O 3.31Å; E194-H218 WeakPolarHBondContact CA-O 3.25Å; E194-H218 HydrophobicContact CG-CB 4.37Å; I195-H218 PolarHBondContact N-O 3.36Å; I195-H218 VanDerWaalsContact N-O 3.12Å
219	I	96.5	Very high	95.2	Very high	9 Å²	9	49.1 Å²	49.1	5%	0.046	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	123.2	164.3	-63.5	171.6	0	0	0	105.4	I195 L210 A223 F224 L240 P244	I195-I219 HydrophobicContact CB-CG1 4.27Å; I195-I219 HydrophobicContact CB-CG2 4.36Å; I195-I219 HydrophobicContact CD1-CD1 4.28Å; I195-I219 HydrophobicContact CD1-CG1 4.03Å; I195-I219 HydrophobicContact CG1-CG1 4.29Å; L210-I219 HydrophobicContact CD1-CD1 4.18Å; I219-A223 HydrophobicContact CG2-CB 3.64Å; I219-F224 HydrophobicContact CG2-CE2 4.32Å; I219-L240 HydrophobicContact CD1-CD1 3.75Å; I219-L240 HydrophobicContact CD1-CD2 3.92Å; I219-L240 HydrophobicContact CG1-CD1 4.49Å; I219-L240 HydrophobicContact CG1-CD2 3.74Å; I219-P244 HydrophobicContact CG2-CG 4.17Å
220	Q	95.5	Very high	95.1	Very high	44 Å²	44	47.3 Å²	47.3	21%	0.206	24%	0.236	C	C	.	.			trans	-64.8	149.2	179.3	-69.4	-170.1	-15.5	0	0	111	E194 I195 S197 D222 A223	E194-Q220 PolarHBondContact OE1-NE2 2.75Å; I195-Q220 WeakPolarHBondContact O-CG 3.44Å; I195-Q220 PolarHBondContact O-N 2.98Å; S197-Q220 PolarHBondContact OG-OE1 3.4Å; Q220-D222 VanDerWaalsContact C-N 3.26Å; Q220-D222 PolarHBondContact O-N 2.84Å; Q220-A223 WeakPolarHBondContact O-CB 3.49Å; Q220-A223 PolarHBondContact O-N 3.27Å
221	E	93.6	Very high	94.9	Very high	70 Å²	70	49.3 Å²	49.3	33%	0.327	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-37.6	-171.3	-168.8	54.9	-146.8	0	0	113.5	S245 K246	E221-S245 VanDerWaalsContact OE1-CA 3.22Å; E221-S245 WeakPolarHBondContact OE1-CA 3.28Å; E221-S245 WeakPolarHBondContact OE1-CB 3.43Å; E221-S245 PolarHBondContact OE1-N 2.57Å; E221-S245 PolarHBondContact OE1-OG 3.22Å; E221-S245 PolarHBondContact OE2-N 2.87Å; E221-K246 PolarHBondContact OE1-N 2.47Å
222	D	95.4	Very high	94.9	Very high	43 Å²	43	47.2 Å²	47.2	23%	0.23	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	20.5	-177.8	-50.4	-51.4	0	0	0	111.9	H198 Q220 F224 E225 K246	H198-D222 PolarHBondContact N-O 2.77Å; Q220-D222 VanDerWaalsContact C-N 3.26Å; Q220-D222 PolarHBondContact O-N 2.84Å; D222-F224 VanDerWaalsContact C-N 3.26Å; D222-F224 PolarHBondContact O-N 3.29Å; D222-E225 HydrophobicContact CB-CB 4.18Å; D222-E225 WeakPolarHBondContact CB-OE2 3.22Å; D222-E225 WeakPolarHBondContact O-CB 3.14Å; D222-E225 PolarHBondContact O-N 3.45Å; D222-K246 IonicContact OD1-NZ 3.24Å; D222-K246 PolarHBondContact OD1-NZ 2.69Å
223	A	96.6	Very high	95	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-35	-178.9	0	0	0	0	0	113.5	I195 A199 F200 I219 Q220	I195-A223 HydrophobicContact CG2-CB 4.19Å; A199-A223 PolarHBondContact N-O 3.24Å; F200-A223 PolarHBondContact N-O 3.28Å; I219-A223 HydrophobicContact CG2-CB 3.64Å; Q220-A223 WeakPolarHBondContact O-CB 3.49Å; Q220-A223 PolarHBondContact O-N 3.27Å
224	F	95.6	Very high	95	Very high	5 Å²	5	46 Å²	46	2%	0.022	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	2.6	179.7	-65.5	-77.3	0	0	0	113.4	F200 L205 L208 I219 D222 G226 A227 P230 P244 L248	F200-F224 AromaticContact CD2-CD1 3.79Å; F200-F224 HydrophobicContact CD2-CD1 3.79Å; F200-F224 AromaticContact CD2-CE1 3.69Å; F200-F224 HydrophobicContact CD2-CE1 3.69Å; F200-F224 HydrophobicContact CD2-CG 4.48Å; F200-F224 HydrophobicContact CD2-CZ 4.32Å; F200-F224 HydrophobicContact CE2-CD1 4.34Å; F200-F224 AromaticContact CE2-CE1 3.8Å; F200-F224 HydrophobicContact CE2-CE1 3.8Å; F200-F224 HydrophobicContact CE2-CZ 4.05Å; F200-F224 HydrophobicContact CG-CD1 4.44Å; F200-F224 HydrophobicContact CG-CE1 4.45Å; L205-F224 HydrophobicContact CD1-CD1 4.22Å; L205-F224 HydrophobicContact CD1-CE1 4.19Å; L208-F224 HydrophobicContact CD2-CE1 3.55Å; L208-F224 HydrophobicContact CD2-CZ 3.68Å; I219-F224 HydrophobicContact CG2-CE2 4.32Å; D222-F224 VanDerWaalsContact C-N 3.26Å; D222-F224 PolarHBondContact O-N 3.29Å; F224-G226 PolarHBondContact O-N 3.42Å; F224-A227 WeakPolarHBondContact O-CB 3.18Å; F224-A227 PolarHBondContact O-N 3.45Å; F224-A227 VanDerWaalsContact O-N 3.08Å; F224-P230 HydrophobicContact CE1-CG 4.19Å; F224-P244 HydrophobicContact CD2-CG 3.8Å; F224-P244 HydrophobicContact CE2-CG 3.76Å; F224-L248 HydrophobicContact CD2-CD2 4.03Å; F224-L248 HydrophobicContact CE2-CD2 3.87Å; F224-L248 HydrophobicContact CZ-CD2 4.28Å
225	E	94.2	Very high	95.2	Very high	101 Å²	101	37.6 Å²	37.6	47%	0.472	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	128	179.7	-174.1	170.7	-170	0	0	111	H198 D222 A227	H198-E225 IonicContact CE1-OE2 2.74Å; H198-E225 PolarHBondContact CE1-OE2 3.27Å; H198-E225 VanDerWaalsContact CE1-OE2 3.28Å; H198-E225 PolarHBondContact ND1-O 3.09Å; D222-E225 HydrophobicContact CB-CB 4.18Å; D222-E225 WeakPolarHBondContact CB-OE2 3.22Å; D222-E225 WeakPolarHBondContact O-CB 3.14Å; D222-E225 PolarHBondContact O-N 3.45Å; E225-A227 VanDerWaalsContact C-N 3.3Å
226	G	91.8	Very high	95.2	Very high	49 Å²	49	33.6 Å²	33.6	51%	0.505	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	1.3	-173.3	0	0	0	0	0	114.4	G202 F224	G202-G226 PolarHBondContact N-O 3.27Å; F224-G226 PolarHBondContact O-N 3.42Å
227	A	94.8	Very high	95.2	Very high	22 Å²	22	37.3 Å²	37.3	18%	0.182	20%	0.199	C	C	.	.			trans	-92.8	152.2	168.7	0	0	0	0	0	111	F200 T203 L205 F224 E225	F200-A227 HydrophobicContact CB-CB 3.96Å; F200-A227 WeakPolarHBondContact O-CB 3.19Å; T203-A227 CarbonylContact O-C 3.53Å; T203-A227 WeakPolarHBondContact O-CA 3.41Å; L205-A227 HydrophobicContact CD1-CB 4.43Å; F224-A227 WeakPolarHBondContact O-CB 3.18Å; F224-A227 PolarHBondContact O-N 3.45Å; F224-A227 VanDerWaalsContact O-N 3.08Å; E225-A227 VanDerWaalsContact C-N 3.3Å
228	T	93.4	Very high	95.3	Very high	60 Å²	60	33 Å²	33	37%	0.368	18%	0.18	S	C	.	.	B	Isolated β-bridge	trans	-105.2	139.3	165.5	-51.4	0	0	0	0	108.2	T203 K204 L205	T203-T228 PolarHBondContact O-N 2.58Å; K204-T228 CarbonylContact C-O 3.6Å; K204-T228 WeakPolarHBondContact CA-O 3.31Å; L205-T228 PolarHBondContact N-O 2.88Å
229	G	89.6	Confident	95.2	Very high	5 Å²	5	31.1 Å²	31.1	5%	0.052	18%	0.177	C	C	.	.			trans	78	-162.5	-167.4	0	0	0	0	0	113	L205	L205-G229 WeakPolarHBondContact O-CA 3.28Å
230	P	95	Very high	95.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.175	C	C	.	.			cis	-78.1	149.5	2.9	31	-34.1	0	0	0	113.3	L205 L208 F224 L233 Q250 V251	L205-P230 HydrophobicContact CB-CB 3.93Å; L205-P230 WeakPolarHBondContact O-CA 2.86Å; L208-P230 HydrophobicContact CB-CB 4.11Å; L208-P230 HydrophobicContact CB-CG 4.33Å; F224-P230 HydrophobicContact CE1-CG 4.19Å; P230-L233 HydrophobicContact CG-CB 4.43Å; P230-Q250 CarbonylContact O-C 3.58Å; P230-V251 HydrophobicContact CG-CG2 4.3Å; P230-V251 VanDerWaalsContact O-CA 3.28Å; P230-V251 WeakPolarHBondContact O-CA 3.49Å; P230-V251 VanDerWaalsContact O-CG2 3.26Å; P230-V251 WeakPolarHBondContact O-CG2 3.27Å; P230-V251 PolarHBondContact O-N 3.02Å
231	S	94.5	Very high	94.9	Very high	42 Å²	42	31.5 Å²	31.5	29%	0.294	19%	0.186	S	C	.	.	S	Bend	trans	-79.8	-32.5	171.5	-55	0	0	0	0	112.6	K206 Q250 L252 S253	K206-S231 WeakPolarHBondContact O-CB 3.4Å; K206-S231 PolarHBondContact O-N 3.11Å; S231-Q250 WeakPolarHBondContact CA-O 3.5Å; S231-L252 PolarHBondContact O-N 3.1Å; S231-S253 PolarHBondContact O-N 3.44Å
232	Y	96.6	Very high	94.9	Very high	72 Å²	72	30.5 Å²	30.5	28%	0.282	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	125.7	175.7	-180	-96.5	0	0	0	110.6	K206 S207 L208 I209 D234	K206-Y232 PolarHBondContact O-N 2.82Å; K206-Y232 VanDerWaalsContact O-N 3.11Å; S207-Y232 WeakPolarHBondContact CA-O 3.36Å; L208-Y232 PolarHBondContact N-O 3.33Å; I209-Y232 HydrophobicContact CD1-CE1 4.38Å; I209-Y232 HydrophobicContact CG1-CD1 4.31Å; I209-Y232 HydrophobicContact CG1-CE1 4.06Å; Y232-D234 HydrophobicContact CE1-CB 3.84Å
233	L	97.3	Very high	94.8	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.016	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	118.4	178.9	178.9	60.7	0	0	0	110.9	L208 P230 V235 L248 V251 S253 L254 K255	L208-L233 HydrophobicContact CB-CD1 4.19Å; L208-L233 HydrophobicContact CD2-CD1 4.03Å; L208-L233 HydrophobicContact CG-CD1 4.11Å; L208-L233 WeakPolarHBondContact O-CA 3.34Å; P230-L233 HydrophobicContact CG-CB 4.43Å; L233-V235 HydrophobicContact CD1-CG1 3.97Å; L233-V235 HydrophobicContact CD2-CG1 4.47Å; L233-V235 HydrophobicContact CG-CG1 4.1Å; L233-L248 HydrophobicContact CD2-CD2 3.96Å; L233-V251 HydrophobicContact CB-CG1 4.3Å; L233-S253 PolarHBondContact N-O 2.96Å; L233-L254 HydrophobicContact CB-CD1 4.17Å; L233-L254 HydrophobicContact CD2-CD1 3.91Å; L233-L254 HydrophobicContact CG-CD1 4.03Å; L233-K255 PolarHBondContact O-N 3.12Å
234	D	97.8	Very high	94.6	Very high	6 Å²	6	29 Å²	29	3%	0.032	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	113.1	172.5	-175.6	5.3	0	0	0	111	L208 I209 L210 Y232 S236 K255	L208-D234 PolarHBondContact O-N 2.95Å; I209-D234 HydrophobicContact CG1-CB 4.45Å; I209-D234 HydrophobicContact CG2-CB 4.16Å; L210-D234 WeakPolarHBondContact CA-O 3.35Å; L210-D234 PolarHBondContact N-O 2.95Å; Y232-D234 HydrophobicContact CE1-CB 3.84Å; D234-S236 WeakPolarHBondContact OD1-CB 3.46Å; D234-S236 PolarHBondContact OD1-N 2.99Å; D234-S236 PolarHBondContact OD1-OG 3.18Å; D234-K255 CarbonylContact C-O 3.5Å; D234-K255 WeakPolarHBondContact CA-O 3.34Å; D234-K255 HydrophobicContact CB-CB 4.12Å
235	V	96.8	Very high	94.4	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.193	C	C	.	.			trans	-115.2	23.1	175.8	-65.1	0	0	0	0	111.9	L210 L233 T238 L240 L243 K255 A256	L210-V235 HydrophobicContact CD1-CG1 4.38Å; L233-V235 HydrophobicContact CD1-CG1 3.97Å; L233-V235 HydrophobicContact CD2-CG1 4.47Å; L233-V235 HydrophobicContact CG-CG1 4.1Å; V235-T238 WeakPolarHBondContact O-CB 3.45Å; V235-T238 VanDerWaalsContact O-CG2 3.25Å; V235-T238 WeakPolarHBondContact O-CG2 3.45Å; V235-T238 PolarHBondContact O-OG1 2.79Å; V235-L240 HydrophobicContact CB-CD1 3.91Å; V235-L240 HydrophobicContact CG1-CD1 3.89Å; V235-L243 HydrophobicContact CG1-CD2 4.26Å; V235-L243 HydrophobicContact CG2-CD2 4.27Å; V235-K255 PolarHBondContact N-O 3.47Å; V235-A256 HydrophobicContact CG2-CB 3.65Å
236	S	97.1	Very high	94.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	146.6	-178.3	-58.4	0	0	0	0	112.5	R211 D212 D234 T238 T257	R211-S236 VanDerWaalsContact CA-O 3.31Å; R211-S236 WeakPolarHBondContact CA-O 3.44Å; D212-S236 PolarHBondContact N-O 2.92Å; D234-S236 WeakPolarHBondContact OD1-CB 3.46Å; D234-S236 PolarHBondContact OD1-N 2.99Å; D234-S236 PolarHBondContact OD1-OG 3.18Å; S236-T238 PolarHBondContact O-N 2.69Å; S236-T257 CarbonylContact C-O 3.17Å; S236-T257 WeakPolarHBondContact CA-O 3.28Å; S236-T257 VanDerWaalsContact CB-O 3.27Å; S236-T257 WeakPolarHBondContact CB-O 3.31Å; S236-T257 VanDerWaalsContact CB-OG1 3.23Å; S236-T257 WeakPolarHBondContact CB-OG1 3.19Å; S236-T257 PolarHBondContact OG-N 2.63Å; S236-T257 PolarHBondContact OG-OG1 3.15Å
237	F	95.9	Very high	94	Very high	78 Å²	78	30.8 Å²	30.8	34%	0.342	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	35.1	-179.8	-52.8	-90	0	0	0	113.8	R211 D212 T257 S258	R211-F237 HydrophobicContact CG-CD2 4.17Å; D212-F237 HydrophobicContact CB-CB 4.3Å; F237-T257 PolarHBondContact N-O 2.92Å; F237-S258 VanDerWaalsContact CE1-CB 3.46Å; F237-S258 WeakPolarHBondContact CE1-OG 3.25Å
238	T	96.9	Very high	93.8	Very high	8 Å²	8	29.9 Å²	29.9	5%	0.049	18%	0.178	C	C	.	.			trans	-107.3	166.7	173.1	64.2	0	0	0	0	111.3	L210 N213 L216 V235 S236	L210-T238 VanDerWaalsContact O-CG2 3.28Å; L210-T238 WeakPolarHBondContact O-CG2 3.44Å; N213-T238 HydrophobicContact CB-CG2 4.34Å; L216-T238 HydrophobicContact CD2-CG2 4.38Å; V235-T238 WeakPolarHBondContact O-CB 3.45Å; V235-T238 VanDerWaalsContact O-CG2 3.25Å; V235-T238 WeakPolarHBondContact O-CG2 3.45Å; V235-T238 PolarHBondContact O-OG1 2.79Å; S236-T238 PolarHBondContact O-N 2.69Å
239	A	95.4	Very high	93.6	Very high	36 Å²	36	29.7 Å²	29.7	30%	0.298	18%	0.179	S	C	.	.			trans	-101.1	22.6	176.1	0	0	0	0	0	112.6	R214 L216 H217 S241 A261	R214-A239 VanDerWaalsContact O-CB 3.29Å; R214-A239 WeakPolarHBondContact O-CB 3.31Å; L216-A239 CarbonylContact O-C 3.59Å; L216-A239 WeakPolarHBondContact O-CA 3.09Å; L216-A239 PolarHBondContact O-N 2.74Å; H217-A239 WeakPolarHBondContact CA-O 3.44Å; H217-A239 HydrophobicContact CB-CB 4.44Å; A239-S241 PolarHBondContact O-N 2.98Å; A239-A261 WeakPolarHBondContact O-CB 3.46Å
240	L	95.4	Very high	93.7	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	19%	0.192	C	C	.	.			trans	-62.7	130	-178.6	-70.1	173.3	0	0	0	111.3	L216 I219 V235 L243 A261 L262	L216-L240 HydrophobicContact CD1-CD2 4.48Å; L216-L240 HydrophobicContact CD2-CD2 4.37Å; L216-L240 HydrophobicContact CG-CD2 3.87Å; L216-L240 HydrophobicContact CG-CG 4.33Å; L216-L240 PolarHBondContact O-N 2.93Å; L216-L240 VanDerWaalsContact O-N 3.1Å; I219-L240 HydrophobicContact CD1-CD1 3.75Å; I219-L240 HydrophobicContact CD1-CD2 3.92Å; I219-L240 HydrophobicContact CG1-CD1 4.49Å; I219-L240 HydrophobicContact CG1-CD2 3.74Å; V235-L240 HydrophobicContact CB-CD1 3.91Å; V235-L240 HydrophobicContact CG1-CD1 3.89Å; L240-L243 HydrophobicContact CD1-CD2 4.35Å; L240-A261 CarbonylContact O-C 3.54Å; L240-A261 WeakPolarHBondContact O-CB 3.48Å; L240-L262 WeakPolarHBondContact O-CA 3.33Å; L240-L262 WeakPolarHBondContact O-CB 3.3Å; L240-L262 PolarHBondContact O-N 3.17Å
241	S	90.3	Very high	93.6	Very high	61 Å²	61	32.9 Å²	32.9	43%	0.427	19%	0.192	S	C	.	.	S	Bend	trans	-78.9	-34.4	174.8	55.9	0	0	0	0	113.1	A239 A261	A239-S241 PolarHBondContact O-N 2.98Å; S241-A261 WeakPolarHBondContact CA-O 3.5Å
242	S	91.8	Very high	93.6	Very high	49 Å²	49	34.1 Å²	34.1	34%	0.343	20%	0.196	S	C	.	.			trans	-154.8	154.8	-175.7	54.1	0	0	0	0	109.9	L262	S242-L262 VanDerWaalsContact CA-CD1 3.49Å
243	L	93.9	Very high	93.5	Very high	9 Å²	9	31.6 Å²	31.6	5%	0.047	19%	0.188	C	C	.	.			trans	-90.2	153.8	166.9	-66.2	173.3	0	0	0	109.8	V235 L240 L248 L254 L262 P266	V235-L243 HydrophobicContact CG1-CD2 4.26Å; V235-L243 HydrophobicContact CG2-CD2 4.27Å; L240-L243 HydrophobicContact CD1-CD2 4.35Å; L243-L248 HydrophobicContact CB-CD1 4.13Å; L243-L254 HydrophobicContact CD1-CD1 4.16Å; L243-L254 HydrophobicContact CD1-CD2 4.07Å; L243-L262 HydrophobicContact CG-CD1 4.18Å; L243-L262 HydrophobicContact CG-CD2 4.45Å; L243-P266 HydrophobicContact CB-CG 4.01Å
244	P	93.7	Very high	93.4	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.013	19%	0.188	C	C	.	.			trans	-62.9	145.9	174.3	26.5	-33.2	0	0	0	110.7	I219 F224 L248	I219-P244 HydrophobicContact CG2-CG 4.17Å; F224-P244 HydrophobicContact CD2-CG 3.8Å; F224-P244 HydrophobicContact CE2-CG 3.76Å; P244-L248 HydrophobicContact CG-CD1 4.17Å; P244-L248 HydrophobicContact CG-CG 4.37Å; P244-L248 WeakPolarHBondContact O-CD1 3.26Å
245	S	89.8	Confident	93.3	Very high	46 Å²	46	33.3 Å²	33.3	32%	0.322	20%	0.195	S	C	.	.	S	Bend	trans	-80.5	-18.2	177.6	76.8	0	0	0	0	113.6	E221	E221-S245 VanDerWaalsContact OE1-CA 3.22Å; E221-S245 WeakPolarHBondContact OE1-CA 3.28Å; E221-S245 WeakPolarHBondContact OE1-CB 3.43Å; E221-S245 PolarHBondContact OE1-N 2.57Å; E221-S245 PolarHBondContact OE1-OG 3.22Å; E221-S245 PolarHBondContact OE2-N 2.87Å
246	K	89.9	Confident	93.3	Very high	114 Å²	114	33.3 Å²	33.3	50%	0.496	20%	0.196	S	C	.	.	S	Bend	trans	-110.5	152.5	179.1	-56.4	-178.2	-160.4	158.9	0	112.4	E221 D222 L248	E221-K246 PolarHBondContact OE1-N 2.47Å; D222-K246 IonicContact OD1-NZ 3.24Å; D222-K246 PolarHBondContact OD1-NZ 2.69Å; K246-L248 VanDerWaalsContact C-N 3.34Å; K246-L248 PolarHBondContact O-N 3.11Å
247	G	87.4	Confident	93.2	Very high	32 Å²	32	34.8 Å²	34.8	33%	0.33	20%	0.204	S	C	.	.	S	Bend	trans	78.9	8.9	171.7	0	0	0	0	0	115.8
248	L	92.4	Very high	93	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.016	20%	0.203	C	C	.	.			trans	-105.6	10	176.7	-59.1	-176.9	0	0	0	113.8	F224 L233 L243 P244 K246 Q250 V251 G270 L271	F224-L248 HydrophobicContact CD2-CD2 4.03Å; F224-L248 HydrophobicContact CE2-CD2 3.87Å; F224-L248 HydrophobicContact CZ-CD2 4.28Å; L233-L248 HydrophobicContact CD2-CD2 3.96Å; L243-L248 HydrophobicContact CB-CD1 4.13Å; P244-L248 HydrophobicContact CG-CD1 4.17Å; P244-L248 HydrophobicContact CG-CG 4.37Å; P244-L248 WeakPolarHBondContact O-CD1 3.26Å; K246-L248 VanDerWaalsContact C-N 3.34Å; K246-L248 PolarHBondContact O-N 3.11Å; L248-Q250 PolarHBondContact O-N 3Å; L248-V251 HydrophobicContact CB-CG2 3.99Å; L248-V251 HydrophobicContact CD2-CG2 4.05Å; L248-V251 WeakPolarHBondContact O-CB 3.42Å; L248-V251 VanDerWaalsContact O-CG2 3.3Å; L248-V251 WeakPolarHBondContact O-CG2 3.23Å; L248-V251 PolarHBondContact O-N 3.24Å; L248-V251 VanDerWaalsContact O-N 3.14Å; L248-G270 CarbonylContact C-O 3.55Å; L248-G270 VanDerWaalsContact O-O 3.13Å; L248-L271 HydrophobicContact CB-CD2 3.84Å; L248-L271 HydrophobicContact CD1-CD2 4.38Å
249	S	89.1	Confident	92.9	Very high	57 Å²	57	32.9 Å²	32.9	40%	0.399	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-26.5	-171.8	58.4	0	0	0	0	114.2	G270 E273	S249-G270 WeakPolarHBondContact CA-O 3.24Å; S249-G270 PolarHBondContact N-O 3.26Å; S249-G270 VanDerWaalsContact N-O 3.1Å; S249-E273 WeakPolarHBondContact O-CB 3.39Å; S249-E273 WeakPolarHBondContact O-CG 3.48Å; S249-E273 PolarHBondContact O-N 3.42Å
250	Q	90.8	Very high	92.6	Very high	71 Å²	71	37.3 Å²	37.3	33%	0.332	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	5.9	-178.6	-62.8	177.6	13.1	0	0	113.1	P230 S231 L248 L252 E273	P230-Q250 CarbonylContact O-C 3.58Å; S231-Q250 WeakPolarHBondContact CA-O 3.5Å; L248-Q250 PolarHBondContact O-N 3Å; Q250-L252 PolarHBondContact O-N 3.19Å; Q250-E273 WeakPolarHBondContact CA-OE2 3.21Å
251	V	94	Very high	92.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.23	C	C	.	.			trans	-72	115.6	178.2	177.9	0	0	0	0	109	P230 L233 L248 L254 L271 E273 L274	P230-V251 HydrophobicContact CG-CG2 4.3Å; P230-V251 VanDerWaalsContact O-CA 3.28Å; P230-V251 WeakPolarHBondContact O-CA 3.49Å; P230-V251 VanDerWaalsContact O-CG2 3.26Å; P230-V251 WeakPolarHBondContact O-CG2 3.27Å; P230-V251 PolarHBondContact O-N 3.02Å; L233-V251 HydrophobicContact CB-CG1 4.3Å; L248-V251 HydrophobicContact CB-CG2 3.99Å; L248-V251 HydrophobicContact CD2-CG2 4.05Å; L248-V251 WeakPolarHBondContact O-CB 3.42Å; L248-V251 VanDerWaalsContact O-CG2 3.3Å; L248-V251 WeakPolarHBondContact O-CG2 3.23Å; L248-V251 PolarHBondContact O-N 3.24Å; L248-V251 VanDerWaalsContact O-N 3.14Å; V251-L254 HydrophobicContact CG1-CB 4.26Å; V251-L271 HydrophobicContact CB-CD2 4.44Å; V251-E273 CarbonylContact O-C 3.6Å; V251-L274 HydrophobicContact CG1-CD1 3.89Å; V251-L274 VanDerWaalsContact O-CA 3.24Å; V251-L274 WeakPolarHBondContact O-CA 3.17Å; V251-L274 PolarHBondContact O-N 3.44Å
252	L	92.6	Very high	92.4	Very high	69 Å²	69	36.6 Å²	36.6	36%	0.361	21%	0.211	S	C	.	.	S	Bend	trans	-89	-36.8	176.4	-61.9	175.9	0	0	0	111.7	S231 Q250 E273 L275 E276	S231-L252 PolarHBondContact O-N 3.1Å; Q250-L252 PolarHBondContact O-N 3.19Å; L252-E273 HydrophobicContact CD2-CB 3.96Å; L252-E273 WeakPolarHBondContact CD2-O 3.07Å; L252-L275 HydrophobicContact CD2-CD1 4.21Å; L252-L275 HydrophobicContact CD2-CG 4.35Å; L252-L275 PolarHBondContact O-N 3.19Å; L252-E276 PolarHBondContact O-N 2.93Å; L252-E276 VanDerWaalsContact O-N 3.08Å
253	S	94.9	Very high	92.2	Very high	18 Å²	18	38.1 Å²	38.1	13%	0.126	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	124.6	-179.5	178.4	0	0	0	0	111.2	S231 L233 E276	S231-S253 PolarHBondContact O-N 3.44Å; L233-S253 PolarHBondContact N-O 2.96Å; S253-E276 WeakPolarHBondContact CA-O 3.4Å; S253-E276 PolarHBondContact OG-OE2 3.29Å
254	L	95.8	Very high	91.9	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	121.2	-178.3	175.8	63.8	0	0	0	110.4	L233 L243 V251 L274 E276 A277 E278 L279	L233-L254 HydrophobicContact CB-CD1 4.17Å; L233-L254 HydrophobicContact CD2-CD1 3.91Å; L233-L254 HydrophobicContact CG-CD1 4.03Å; L243-L254 HydrophobicContact CD1-CD1 4.16Å; L243-L254 HydrophobicContact CD1-CD2 4.07Å; V251-L254 HydrophobicContact CG1-CB 4.26Å; L254-L274 HydrophobicContact CB-CD1 3.76Å; L254-E276 PolarHBondContact N-O 2.92Å; L254-A277 CarbonylContact O-C 3.59Å; L254-A277 VanDerWaalsContact O-CA 3.32Å; L254-A277 WeakPolarHBondContact O-CA 3.42Å; L254-E278 PolarHBondContact O-N 3.41Å; L254-L279 HydrophobicContact CD2-CD2 4.15Å; L254-L279 HydrophobicContact CG-CD2 4.37Å
255	K	96.4	Very high	91.6	Very high	43 Å²	43	40.2 Å²	40.2	19%	0.187	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	116	175.4	-162	-176.9	-174.9	96.7	0	110.2	L233 D234 V235 T257 E278	L233-K255 PolarHBondContact O-N 3.12Å; D234-K255 CarbonylContact C-O 3.5Å; D234-K255 WeakPolarHBondContact CA-O 3.34Å; D234-K255 HydrophobicContact CB-CB 4.12Å; V235-K255 PolarHBondContact N-O 3.47Å; K255-T257 HydrophobicContact CG-CG2 4.12Å; K255-E278 CarbonylContact C-O 3.52Å; K255-E278 WeakPolarHBondContact CA-O 3.21Å; K255-E278 WeakPolarHBondContact CE-OE2 3.41Å; K255-E278 HydrophobicContact CG-CB 4.01Å; K255-E278 VanDerWaalsContact NZ-CD 3.26Å; K255-E278 IonicContact NZ-OE1 3.81Å; K255-E278 PolarHBondContact NZ-OE1 3.3Å; K255-E278 VanDerWaalsContact NZ-OE1 3.15Å; K255-E278 IonicContact NZ-OE2 3.19Å; K255-E278 PolarHBondContact NZ-OE2 3.46Å
256	A	95.9	Very high	91.6	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.008	22%	0.215	C	C	.	.			trans	-136.4	54.7	179.9	0	0	0	0	0	110.2	V235 L262 E278 L279 T280	V235-A256 HydrophobicContact CG2-CB 3.65Å; A256-L262 HydrophobicContact CB-CD2 3.89Å; A256-E278 CarbonylContact C-O 3.57Å; A256-E278 PolarHBondContact N-O 2.97Å; A256-L279 HydrophobicContact CB-CD2 4Å; A256-L279 CarbonylContact O-C 3.28Å; A256-T280 PolarHBondContact O-N 3.37Å; A256-T280 VanDerWaalsContact O-N 3.15Å; A256-T280 PolarHBondContact O-OG1 2.63Å
257	T	94.1	Very high	91.4	Very high	30 Å²	30	37 Å²	37	18%	0.184	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	141.3	-179.5	64.6	0	0	0	0	111.1	S236 F237 K255 A259 E278	S236-T257 CarbonylContact C-O 3.17Å; S236-T257 WeakPolarHBondContact CA-O 3.28Å; S236-T257 VanDerWaalsContact CB-O 3.27Å; S236-T257 WeakPolarHBondContact CB-O 3.31Å; S236-T257 VanDerWaalsContact CB-OG1 3.23Å; S236-T257 WeakPolarHBondContact CB-OG1 3.19Å; S236-T257 PolarHBondContact OG-N 2.63Å; S236-T257 PolarHBondContact OG-OG1 3.15Å; F237-T257 PolarHBondContact N-O 2.92Å; K255-T257 HydrophobicContact CG-CG2 4.12Å; T257-A259 PolarHBondContact O-N 2.7Å; T257-A259 VanDerWaalsContact O-N 3.12Å; T257-E278 HydrophobicContact CG2-CB 4.03Å
258	S	93.6	Very high	91.3	Very high	46 Å²	46	36.2 Å²	36.2	32%	0.322	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	29.3	-176.9	-53.5	0	0	0	0	114.7	F237 F260 T280	F237-S258 VanDerWaalsContact CE1-CB 3.46Å; F237-S258 WeakPolarHBondContact CE1-OG 3.25Å; S258-F260 PolarHBondContact O-N 2.72Å; S258-T280 PolarHBondContact N-OG1 3.07Å
259	A	93.3	Very high	90.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.234	C	C	.	.			trans	-97.3	67	175.8	0	0	0	0	0	109.6	T257 A261 L262 T280	T257-A259 PolarHBondContact O-N 2.7Å; T257-A259 VanDerWaalsContact O-N 3.12Å; A259-A261 PolarHBondContact O-N 2.86Å; A259-L262 HydrophobicContact CB-CB 4.16Å; A259-L262 VanDerWaalsContact O-CB 3.31Å; A259-L262 WeakPolarHBondContact O-CB 3.37Å; A259-L262 PolarHBondContact O-N 2.93Å; A259-T280 PolarHBondContact N-OG1 2.6Å
260	F	89.4	Confident	90.5	Very high	130 Å²	130	39.8 Å²	39.8	57%	0.57	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-23.2	-170.3	-60.9	-74.1	0	0	0	114.4	S258 L262 T280 Y281	S258-F260 PolarHBondContact O-N 2.72Å; F260-L262 PolarHBondContact O-N 3.3Å; F260-T280 HydrophobicContact CD1-CG2 3.64Å; F260-T280 HydrophobicContact CE1-CG2 3.69Å; F260-T280 HydrophobicContact CG-CG2 4.42Å; F260-T280 HydrophobicContact CZ-CG2 4.5Å; F260-Y281 WeakPolarHBondContact CA-OH 3.41Å; F260-Y281 PolarHBondContact O-OH 2.87Å
261	A	90.6	Very high	90.3	Very high	42 Å²	42	36.6 Å²	36.6	35%	0.347	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-22.4	174.7	0	0	0	0	0	112.6	A239 L240 S241 A259 K263	A239-A261 WeakPolarHBondContact O-CB 3.46Å; L240-A261 CarbonylContact O-C 3.54Å; L240-A261 WeakPolarHBondContact O-CB 3.48Å; S241-A261 WeakPolarHBondContact CA-O 3.5Å; A259-A261 PolarHBondContact O-N 2.86Å; A261-K263 VanDerWaalsContact C-N 3.32Å; A261-K263 PolarHBondContact O-N 3.44Å
262	L	92.2	Very high	89.7	Confident	5 Å²	5	38.8 Å²	38.8	3%	0.026	23%	0.225	C	C	.	.			trans	-79.8	79.1	-175.7	-171.9	67.3	0	0	0	109.7	L240 S242 L243 A256 A259 F260 Y281 H284	L240-L262 WeakPolarHBondContact O-CA 3.33Å; L240-L262 WeakPolarHBondContact O-CB 3.3Å; L240-L262 PolarHBondContact O-N 3.17Å; S242-L262 VanDerWaalsContact CA-CD1 3.49Å; L243-L262 HydrophobicContact CG-CD1 4.18Å; L243-L262 HydrophobicContact CG-CD2 4.45Å; A256-L262 HydrophobicContact CB-CD2 3.89Å; A259-L262 HydrophobicContact CB-CB 4.16Å; A259-L262 VanDerWaalsContact O-CB 3.31Å; A259-L262 WeakPolarHBondContact O-CB 3.37Å; A259-L262 PolarHBondContact O-N 2.93Å; F260-L262 PolarHBondContact O-N 3.3Å; L262-Y281 WeakPolarHBondContact O-CD2 3.45Å; L262-Y281 VanDerWaalsContact O-CE2 3.28Å; L262-Y281 WeakPolarHBondContact O-CE2 3.26Å; L262-H284 PolarHBondContact O-CE1 3.45Å; L262-H284 VanDerWaalsContact O-CE1 3.3Å
263	K	86.9	Confident	89.5	Confident	81 Å²	81	40.3 Å²	40.3	35%	0.352	23%	0.231	S	C	.	.			trans	-85.9	-27.6	-175.8	-65.9	-176.1	-178.7	-173.6	0	112.9	A261 H284 T434	A261-K263 VanDerWaalsContact C-N 3.32Å; A261-K263 PolarHBondContact O-N 3.44Å; K263-H284 PolarHBondContact O-NE2 3.17Å; K263-T434 HydrophobicContact CG-CG2 4.27Å
264	S	87.4	Confident	89.2	Confident	43 Å²	43	39.5 Å²	39.5	30%	0.301	23%	0.225	S	C	.	.	S	Bend	trans	-116.7	140.6	-177.3	54.6	0	0	0	0	111.8
265	L	87.6	Confident	88.8	Confident	12 Å²	12	42.9 Å²	42.9	6%	0.063	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-86.9	151.2	169.5	-67.7	176.8	0	0	0	111.1	L268 H284 A287 F288 N431	L265-L268 HydrophobicContact CD1-CD2 4.25Å; L265-H284 HydrophobicContact CD1-CB 3.8Å; L265-H284 HydrophobicContact CD2-CB 4.37Å; L265-H284 HydrophobicContact CG-CB 4.21Å; L265-A287 HydrophobicContact CD1-CB 4.17Å; L265-F288 HydrophobicContact CD1-CD2 4.49Å; L265-F288 HydrophobicContact CD1-CE2 3.69Å; L265-F288 HydrophobicContact CD1-CZ 3.95Å; L265-N431 PolarHBondContact N-OD1 3.29Å
266	P	88.8	Confident	88.5	Confident	12 Å²	12	44.9 Å²	44.9	8%	0.078	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-65.9	166.8	167.7	31	-34.6	0	0	0	110.5	L243 L268 L271	L243-P266 HydrophobicContact CB-CG 4.01Å; P266-L268 PolarHBondContact O-N 3.01Å; P266-L271 HydrophobicContact CG-CD1 4.05Å
267	P	86.4	Confident	88.4	Confident	79 Å²	79	44.8 Å²	44.8	51%	0.513	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-49.8	125.3	171.2	-25.4	34.3	0	0	0	111.1	D269 G270	P267-D269 PolarHBondContact O-N 2.83Å; P267-D269 VanDerWaalsContact O-N 3.15Å; P267-G270 PolarHBondContact O-N 2.95Å
268	L	85.4	Confident	88.4	Confident	17 Å²	17	46 Å²	46	9%	0.089	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-64.6	-22.3	-173.8	-59.5	178	0	0	0	113	L265 P266 G270 L271 A287 F288 W291	L265-L268 HydrophobicContact CD1-CD2 4.25Å; P266-L268 PolarHBondContact O-N 3.01Å; L268-G270 PolarHBondContact O-N 3.07Å; L268-L271 CarbonylContact O-C 3.54Å; L268-L271 PolarHBondContact O-N 2.83Å; L268-A287 HydrophobicContact CD1-CB 4.14Å; L268-F288 HydrophobicContact CD2-CD1 4.08Å; L268-F288 HydrophobicContact CD2-CE1 3.62Å; L268-F288 HydrophobicContact CD2-CZ 4.02Å; L268-W291 HydrophobicContact CB-CD2 4.05Å; L268-W291 HydrophobicContact CB-CG 4.01Å; L268-W291 HydrophobicContact CD1-CB 3.48Å; L268-W291 VanDerWaalsContact CD1-CB 3.48Å; L268-W291 HydrophobicContact CD1-CD2 4.35Å; L268-W291 HydrophobicContact CD1-CG 3.65Å
269	D	81.8	Confident	88.4	Confident	119 Å²	119	44.2 Å²	44.2	64%	0.636	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-63.3	-25.8	173.3	-59.8	-32.6	0	0	0	111.9	P267 L271 W291	P267-D269 PolarHBondContact O-N 2.83Å; P267-D269 VanDerWaalsContact O-N 3.15Å; D269-L271 PolarHBondContact O-N 3.26Å; D269-W291 PolarHBondContact OD1-NE1 3.19Å
270	G	82.3	Confident	88.2	Confident	16 Å²	16	45.6 Å²	45.6	17%	0.165	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-75.8	-4.8	172.5	0	0	0	0	0	114.4	L248 S249 P267 L268	L248-G270 CarbonylContact C-O 3.55Å; L248-G270 VanDerWaalsContact O-O 3.13Å; S249-G270 WeakPolarHBondContact CA-O 3.24Å; S249-G270 PolarHBondContact N-O 3.26Å; S249-G270 VanDerWaalsContact N-O 3.1Å; P267-G270 PolarHBondContact O-N 2.95Å; L268-G270 PolarHBondContact O-N 3.07Å
271	L	87	Confident	88	Confident	3 Å²	3	41 Å²	41	2%	0.016	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-122.4	41.7	179.2	-65.9	171	0	0	0	110.8	L248 V251 P266 L268 D269 E273 L274 F288	L248-L271 HydrophobicContact CB-CD2 3.84Å; L248-L271 HydrophobicContact CD1-CD2 4.38Å; V251-L271 HydrophobicContact CB-CD2 4.44Å; P266-L271 HydrophobicContact CG-CD1 4.05Å; L268-L271 CarbonylContact O-C 3.54Å; L268-L271 PolarHBondContact O-N 2.83Å; D269-L271 PolarHBondContact O-N 3.26Å; L271-E273 VanDerWaalsContact C-N 3.34Å; L271-E273 PolarHBondContact O-N 3.14Å; L271-L274 HydrophobicContact CB-CB 4.35Å; L271-L274 WeakPolarHBondContact O-CB 3.48Å; L271-L274 PolarHBondContact O-N 3.01Å; L271-F288 HydrophobicContact CD1-CE1 4.05Å; L271-F288 HydrophobicContact CD1-CZ 4.03Å
272	A	82.5	Confident	87.6	Confident	46 Å²	46	41 Å²	41	38%	0.38	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-36.5	-169.8	0	0	0	0	0	114.4
273	E	86.6	Confident	87.2	Confident	101 Å²	101	41.7 Å²	41.7	47%	0.472	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	2.4	-176.9	-62.4	-173.3	174.6	0	0	113.9	S249 Q250 V251 L252 L271 L275	S249-E273 WeakPolarHBondContact O-CB 3.39Å; S249-E273 WeakPolarHBondContact O-CG 3.48Å; S249-E273 PolarHBondContact O-N 3.42Å; Q250-E273 WeakPolarHBondContact CA-OE2 3.21Å; V251-E273 CarbonylContact O-C 3.6Å; L252-E273 HydrophobicContact CD2-CB 3.96Å; L252-E273 WeakPolarHBondContact CD2-O 3.07Å; L271-E273 VanDerWaalsContact C-N 3.34Å; L271-E273 PolarHBondContact O-N 3.14Å; E273-L275 PolarHBondContact O-N 3.15Å
274	L	89.1	Confident	87.2	Confident	2 Å²	2	38 Å²	38	1%	0.01	22%	0.216	C	C	.	.			trans	-61.1	130.2	-175.5	-165.3	72.6	0	0	0	111.9	V251 L254 L271 E276 A277 F288 R292 V344	V251-L274 HydrophobicContact CG1-CD1 3.89Å; V251-L274 VanDerWaalsContact O-CA 3.24Å; V251-L274 WeakPolarHBondContact O-CA 3.17Å; V251-L274 PolarHBondContact O-N 3.44Å; L254-L274 HydrophobicContact CB-CD1 3.76Å; L271-L274 HydrophobicContact CB-CB 4.35Å; L271-L274 WeakPolarHBondContact O-CB 3.48Å; L271-L274 PolarHBondContact O-N 3.01Å; L274-E276 WeakPolarHBondContact CD1-O 3.38Å; L274-A277 HydrophobicContact CD2-CB 4.16Å; L274-F288 HydrophobicContact CD2-CD1 4.02Å; L274-F288 HydrophobicContact CD2-CE1 3.43Å; L274-F288 VanDerWaalsContact CD2-CE1 3.43Å; L274-F288 HydrophobicContact CD2-CZ 3.74Å; L274-R292 PolarHBondContact O-NH2 3.32Å; L274-V344 HydrophobicContact CD2-CG1 4.31Å; L274-V344 HydrophobicContact CG-CG1 4.42Å; L274-V344 WeakPolarHBondContact O-CG2 3.43Å
275	L	87.6	Confident	87.1	Confident	72 Å²	72	36.2 Å²	36.2	38%	0.377	20%	0.204	S	C	.	.			trans	-115.1	-35.7	178.8	-57	-180	0	0	0	112.1	L252 E273 P342 V344 M345	L252-L275 HydrophobicContact CD2-CD1 4.21Å; L252-L275 HydrophobicContact CD2-CG 4.35Å; L252-L275 PolarHBondContact O-N 3.19Å; E273-L275 PolarHBondContact O-N 3.15Å; L275-P342 HydrophobicContact CD2-CG 3.79Å; L275-V344 CarbonylContact O-C 3.55Å; L275-V344 VanDerWaalsContact O-CA 3.3Å; L275-V344 WeakPolarHBondContact O-CA 3.32Å; L275-M345 PolarHBondContact O-N 3.01Å
276	E	90.4	Very high	86.8	Confident	85 Å²	85	36.1 Å²	36.1	40%	0.397	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	136.8	-177	-173.8	176.9	-153.9	0	0	111.2	L252 S253 L254 L274 M345	L252-E276 PolarHBondContact O-N 2.93Å; L252-E276 VanDerWaalsContact O-N 3.08Å; S253-E276 WeakPolarHBondContact CA-O 3.4Å; S253-E276 PolarHBondContact OG-OE2 3.29Å; L254-E276 PolarHBondContact N-O 2.92Å; L274-E276 WeakPolarHBondContact CD1-O 3.38Å; E276-M345 WeakPolarHBondContact CA-O 3.18Å; E276-M345 HydrophobicContact CG-CB 4.47Å
277	A	93	Very high	86.4	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	111.2	179.3	0	0	0	0	0	111.3	L254 L274 L279 V344 M345 C346 T347	L254-A277 CarbonylContact O-C 3.59Å; L254-A277 VanDerWaalsContact O-CA 3.32Å; L254-A277 WeakPolarHBondContact O-CA 3.42Å; L274-A277 HydrophobicContact CD2-CB 4.16Å; A277-L279 HydrophobicContact CB-CD1 4.24Å; A277-L279 HydrophobicContact CB-CD2 4.41Å; A277-L279 HydrophobicContact CB-CG 4.16Å; A277-V344 HydrophobicContact CB-CG1 4.34Å; A277-M345 PolarHBondContact N-O 3.33Å; A277-C346 HydrophobicContact CB-CB 4.34Å; A277-C346 CarbonylContact O-C 3.52Å; A277-C346 WeakPolarHBondContact O-CA 3.39Å; A277-T347 PolarHBondContact O-N 2.99Å
278	E	94.6	Very high	86.3	Confident	56 Å²	56	32 Å²	32	26%	0.262	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	104.5	171	-70.2	-172.6	-143.5	0	0	109.5	L254 K255 A256 T257	L254-E278 PolarHBondContact O-N 3.41Å; K255-E278 CarbonylContact C-O 3.52Å; K255-E278 WeakPolarHBondContact CA-O 3.21Å; K255-E278 WeakPolarHBondContact CE-OE2 3.41Å; K255-E278 HydrophobicContact CG-CB 4.01Å; K255-E278 VanDerWaalsContact NZ-CD 3.26Å; K255-E278 IonicContact NZ-OE1 3.81Å; K255-E278 PolarHBondContact NZ-OE1 3.3Å; K255-E278 VanDerWaalsContact NZ-OE1 3.15Å; K255-E278 IonicContact NZ-OE2 3.19Å; K255-E278 PolarHBondContact NZ-OE2 3.46Å; A256-E278 CarbonylContact C-O 3.57Å; A256-E278 PolarHBondContact N-O 2.97Å; T257-E278 HydrophobicContact CG2-CB 4.03Å
279	L	92.9	Very high	85.8	Confident	8 Å²	8	35.6 Å²	35.6	4%	0.042	19%	0.193	C	C	.	.			trans	-115.3	171.8	-169.3	-54.3	177.1	0	0	0	111.7	L254 A256 A277 H284 F288 T347 P348	L254-L279 HydrophobicContact CD2-CD2 4.15Å; L254-L279 HydrophobicContact CG-CD2 4.37Å; A256-L279 HydrophobicContact CB-CD2 4Å; A256-L279 CarbonylContact O-C 3.28Å; A277-L279 HydrophobicContact CB-CD1 4.24Å; A277-L279 HydrophobicContact CB-CD2 4.41Å; A277-L279 HydrophobicContact CB-CG 4.16Å; L279-H284 HydrophobicContact CD1-CB 3.47Å; L279-H284 VanDerWaalsContact CD1-CB 3.47Å; L279-F288 HydrophobicContact CD1-CD2 4.28Å; L279-F288 HydrophobicContact CD1-CE2 3.73Å; L279-T347 PolarHBondContact N-O 3.33Å; L279-P348 WeakPolarHBondContact O-CD 2.99Å
280	T	90.1	Very high	85.6	Confident	29 Å²	29	32.5 Å²	32.5	18%	0.178	18%	0.179	C	C	.	.	S	Bend	trans	-85.8	-35.3	175.5	-60.2	0	0	0	0	112.1	A256 S258 A259 F260	A256-T280 PolarHBondContact O-N 3.37Å; A256-T280 VanDerWaalsContact O-N 3.15Å; A256-T280 PolarHBondContact O-OG1 2.63Å; S258-T280 PolarHBondContact N-OG1 3.07Å; A259-T280 PolarHBondContact N-OG1 2.6Å; F260-T280 HydrophobicContact CD1-CG2 3.64Å; F260-T280 HydrophobicContact CE1-CG2 3.69Å; F260-T280 HydrophobicContact CG-CG2 4.42Å; F260-T280 HydrophobicContact CZ-CG2 4.5Å
281	Y	85.8	Confident	85.3	Confident	33 Å²	33	33.5 Å²	33.5	13%	0.129	18%	0.177	C	C	.	.			trans	-110.6	126.7	-171.4	-62.4	-64.3	0	0	0	111.8	F260 L262 S283 H284 T434	F260-Y281 WeakPolarHBondContact CA-OH 3.41Å; F260-Y281 PolarHBondContact O-OH 2.87Å; L262-Y281 WeakPolarHBondContact O-CD2 3.45Å; L262-Y281 VanDerWaalsContact O-CE2 3.28Å; L262-Y281 WeakPolarHBondContact O-CE2 3.26Å; Y281-S283 PolarHBondContact O-N 3.4Å; Y281-H284 AromaticContact CD2-CE1 3.73Å; Y281-H284 WeakPolarHBondContact O-CB 3.06Å; Y281-H284 PolarHBondContact O-N 3.17Å; Y281-T434 HydrophobicContact CD1-CG2 3.83Å; Y281-T434 HydrophobicContact CD2-CG2 4.45Å; Y281-T434 HydrophobicContact CE1-CG2 3.39Å; Y281-T434 HydrophobicContact CE2-CG2 4.08Å; Y281-T434 HydrophobicContact CG-CG2 4.33Å
282	P	82.4	Confident	84.7	Confident	41 Å²	41	36.8 Å²	36.8	27%	0.266	19%	0.19	S	C	.	.	H	α-helix	trans	-61.5	-28.4	176.3	-17.5	25.6	0	0	0	113.6	H284 C285 C286 P348	P282-H284 PolarHBondContact O-N 2.93Å; P282-C285 WeakPolarHBondContact O-CB 3.11Å; P282-C285 PolarHBondContact O-N 3.32Å; P282-C285 VanDerWaalsContact O-N 3.14Å; P282-C286 PolarHBondContact O-N 2.75Å; P282-P348 HydrophobicContact CB-CG 4.23Å; P282-P348 HydrophobicContact CG-CB 4.38Å; P282-P348 HydrophobicContact CG-CG 3.72Å
283	S	82.1	Confident	84	Confident	21 Å²	21	41.4 Å²	41.4	15%	0.147	20%	0.197	C	C	.	.	H	α-helix	trans	-61.1	-30.3	177.6	57.6	0	0	0	0	112.8	Y281 C286 Y430	Y281-S283 PolarHBondContact O-N 3.4Å; S283-C286 WeakPolarHBondContact O-CB 3.46Å; S283-C286 PolarHBondContact O-N 2.94Å; S283-Y430 WeakPolarHBondContact O-CB 3.48Å
284	H	86.9	Confident	83.3	Confident	2 Å²	2	42 Å²	42	1%	0.009	20%	0.198	C	C	.	.	H	α-helix	trans	-67.6	-37.7	176.2	-70.2	170.9	0	0	0	111.9	L262 K263 L265 L279 Y281 P282 C286 A287 F288	L262-H284 PolarHBondContact O-CE1 3.45Å; L262-H284 VanDerWaalsContact O-CE1 3.3Å; K263-H284 PolarHBondContact O-NE2 3.17Å; L265-H284 HydrophobicContact CD1-CB 3.8Å; L265-H284 HydrophobicContact CD2-CB 4.37Å; L265-H284 HydrophobicContact CG-CB 4.21Å; L279-H284 HydrophobicContact CD1-CB 3.47Å; L279-H284 VanDerWaalsContact CD1-CB 3.47Å; Y281-H284 AromaticContact CD2-CE1 3.73Å; Y281-H284 WeakPolarHBondContact O-CB 3.06Å; Y281-H284 PolarHBondContact O-N 3.17Å; P282-H284 PolarHBondContact O-N 2.93Å; H284-C286 PolarHBondContact O-N 3.31Å; H284-A287 VanDerWaalsContact O-CB 3.27Å; H284-A287 WeakPolarHBondContact O-CB 3.41Å; H284-A287 PolarHBondContact O-N 3.43Å; H284-F288 VanDerWaalsContact O-CD2 3.28Å; H284-F288 WeakPolarHBondContact O-CD2 3.32Å; H284-F288 PolarHBondContact O-N 2.99Å
285	C	85.8	Confident	82.3	Confident	7 Å²	7	45.3 Å²	45.3	5%	0.047	21%	0.213	C	C	.	.	H	α-helix	trans	-63.2	-30.7	175.4	-68.2	0	0	0	0	113	P282 A287 F288 H289 C346 P348	P282-C285 WeakPolarHBondContact O-CB 3.11Å; P282-C285 PolarHBondContact O-N 3.32Å; P282-C285 VanDerWaalsContact O-N 3.14Å; C285-A287 VanDerWaalsContact C-N 3.28Å; C285-A287 PolarHBondContact O-N 2.87Å; C285-F288 PolarHBondContact O-N 2.66Å; C285-H289 PolarHBondContact O-N 3Å; C285-C346 WeakPolarHBondContact CA-SG 3.22Å; C285-C346 HydrophobicContact CB-CB 3.63Å; C285-C346 WeakPolarHBondContact CB-SG 3.21Å; C285-C346 VanDerWaalsContact SG-C 3.51Å; C285-C346 WeakPolarHBondContact SG-CB 3.09Å; C285-C346 CovalentContact SG-SG 2.04Å; C285-C346 PolarHBondContact SG-SG 2.93Å; C285-P348 PolarHBondContact SG-O 3.48Å; C285-P348 VanDerWaalsContact SG-O 3.38Å
286	C	80.7	Confident	81.2	Confident	10 Å²	10	50.8 Å²	50.8	7%	0.068	23%	0.229	C	C	.	.	H	α-helix	trans	-62.7	-33.8	172.5	-71.2	0	0	0	0	113.5	P282 S283 H284 T290 C356	P282-C286 PolarHBondContact O-N 2.75Å; S283-C286 WeakPolarHBondContact O-CB 3.46Å; S283-C286 PolarHBondContact O-N 2.94Å; H284-C286 PolarHBondContact O-N 3.31Å; C286-T290 WeakPolarHBondContact O-CB 3.19Å; C286-T290 WeakPolarHBondContact O-CG2 3.4Å; C286-T290 PolarHBondContact O-N 2.66Å; C286-T290 PolarHBondContact O-OG1 3.18Å; C286-C356 WeakPolarHBondContact CA-SG 3.42Å; C286-C356 HydrophobicContact CB-CB 3.36Å; C286-C356 WeakPolarHBondContact CB-SG 3.43Å; C286-C356 WeakPolarHBondContact SG-CA 3.41Å; C286-C356 WeakPolarHBondContact SG-CB 3.42Å; C286-C356 CovalentContact SG-SG 2.03Å; C286-C356 PolarHBondContact SG-SG 3.15Å
287	A	82.2	Confident	80.1	Confident	1 Å²	1	51 Å²	51	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-64.6	-46.9	177.4	0	0	0	0	0	110.8	L265 L268 H284 C285 H289 T290 W291 Y430	L265-A287 HydrophobicContact CD1-CB 4.17Å; L268-A287 HydrophobicContact CD1-CB 4.14Å; H284-A287 VanDerWaalsContact O-CB 3.27Å; H284-A287 WeakPolarHBondContact O-CB 3.41Å; H284-A287 PolarHBondContact O-N 3.43Å; C285-A287 VanDerWaalsContact C-N 3.28Å; C285-A287 PolarHBondContact O-N 2.87Å; A287-H289 PolarHBondContact O-N 2.85Å; A287-T290 PolarHBondContact O-N 3.25Å; A287-T290 PolarHBondContact O-OG1 2.75Å; A287-T290 VanDerWaalsContact O-OG1 3.07Å; A287-W291 WeakPolarHBondContact O-CB 3.43Å; A287-W291 PolarHBondContact O-N 3.5Å; A287-Y430 HydrophobicContact CB-CD1 4.2Å; A287-Y430 HydrophobicContact CB-CD2 3.53Å; A287-Y430 HydrophobicContact CB-CE1 4.43Å; A287-Y430 HydrophobicContact CB-CE2 3.77Å; A287-Y430 HydrophobicContact CB-CG 3.77Å
288	F	82.5	Confident	78.7	Confident	4 Å²	4	58 Å²	58	2%	0.018	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-42.2	177.4	-66.3	-68.6	0	0	0	112.4	L265 L268 L271 L274 L279 H284 C285 R292 V344	L265-F288 HydrophobicContact CD1-CD2 4.49Å; L265-F288 HydrophobicContact CD1-CE2 3.69Å; L265-F288 HydrophobicContact CD1-CZ 3.95Å; L268-F288 HydrophobicContact CD2-CD1 4.08Å; L268-F288 HydrophobicContact CD2-CE1 3.62Å; L268-F288 HydrophobicContact CD2-CZ 4.02Å; L271-F288 HydrophobicContact CD1-CE1 4.05Å; L271-F288 HydrophobicContact CD1-CZ 4.03Å; L274-F288 HydrophobicContact CD2-CD1 4.02Å; L274-F288 HydrophobicContact CD2-CE1 3.43Å; L274-F288 VanDerWaalsContact CD2-CE1 3.43Å; L274-F288 HydrophobicContact CD2-CZ 3.74Å; L279-F288 HydrophobicContact CD1-CD2 4.28Å; L279-F288 HydrophobicContact CD1-CE2 3.73Å; H284-F288 VanDerWaalsContact O-CD2 3.28Å; H284-F288 WeakPolarHBondContact O-CD2 3.32Å; H284-F288 PolarHBondContact O-N 2.99Å; C285-F288 PolarHBondContact O-N 2.66Å; F288-R292 WeakPolarHBondContact O-CB 3.21Å; F288-R292 PolarHBondContact O-N 3.25Å; F288-V344 HydrophobicContact CB-CB 4.43Å; F288-V344 HydrophobicContact CB-CG1 4.39Å; F288-V344 HydrophobicContact CG-CG1 4.47Å
289	H	76.8	Confident	77.1	Confident	91 Å²	91	57.5 Å²	57.5	42%	0.421	26%	0.262	S	S	.	.	H	α-helix	trans	-61.4	-48.3	177.6	-170.7	-75.9	0	0	0	112.3	C285 A287 R293 F343	C285-H289 PolarHBondContact O-N 3Å; A287-H289 PolarHBondContact O-N 2.85Å; H289-R293 WeakPolarHBondContact O-CB 3.34Å; H289-R293 PolarHBondContact O-N 3.41Å; H289-R293 VanDerWaalsContact O-N 3.16Å; H289-F343 AromaticContact CD2-CE2 3.27Å; H289-F343 WeakPolarHBondContact CD2-CE2 3.47Å; H289-F343 AromaticContact CD2-CZ 3.58Å; H289-F343 AromaticContact NE2-CE2 3.65Å
290	T	75.6	Confident	75.5	Confident	55 Å²	55	59.9 Å²	59.9	34%	0.337	28%	0.279	S	S	.	.	H	α-helix	trans	-70	-40.1	-178.6	52.2	0	0	0	0	112.3	C286 A287 R293 K294	C286-T290 WeakPolarHBondContact O-CB 3.19Å; C286-T290 WeakPolarHBondContact O-CG2 3.4Å; C286-T290 PolarHBondContact O-N 2.66Å; C286-T290 PolarHBondContact O-OG1 3.18Å; A287-T290 PolarHBondContact O-N 3.25Å; A287-T290 PolarHBondContact O-OG1 2.75Å; A287-T290 VanDerWaalsContact O-OG1 3.07Å; T290-R293 PolarHBondContact O-N 3.49Å; T290-K294 WeakPolarHBondContact O-CB 3.31Å; T290-K294 PolarHBondContact O-N 2.69Å
291	W	77.6	Confident	73.9	Confident	36 Å²	36	68 Å²	68	14%	0.136	31%	0.306	C	S	.	.	H	α-helix	trans	-65.1	-48.9	178.3	176.3	87	0	0	0	112.4	L268 D269 A287 R293 K294 Q295	L268-W291 HydrophobicContact CB-CD2 4.05Å; L268-W291 HydrophobicContact CB-CG 4.01Å; L268-W291 HydrophobicContact CD1-CB 3.48Å; L268-W291 VanDerWaalsContact CD1-CB 3.48Å; L268-W291 HydrophobicContact CD1-CD2 4.35Å; L268-W291 HydrophobicContact CD1-CG 3.65Å; D269-W291 PolarHBondContact OD1-NE1 3.19Å; A287-W291 WeakPolarHBondContact O-CB 3.43Å; A287-W291 PolarHBondContact O-N 3.5Å; W291-R293 VanDerWaalsContact C-N 3.34Å; W291-R293 PolarHBondContact O-N 3.05Å; W291-K294 PolarHBondContact O-N 3Å; W291-Q295 HydrophobicContact CZ2-CG 4.42Å; W291-Q295 PolarHBondContact O-N 2.85Å
292	R	73.2	Confident	72.4	Confident	73 Å²	73	72 Å²	72	28%	0.275	33%	0.33	S	S	.	.	H	α-helix	trans	-62.5	-39.2	176.2	-84.6	-65.4	-157.4	-168.5	0.7	112.1	L274 F288 K294 Q295 R296 V344	L274-R292 PolarHBondContact O-NH2 3.32Å; F288-R292 WeakPolarHBondContact O-CB 3.21Å; F288-R292 PolarHBondContact O-N 3.25Å; R292-K294 VanDerWaalsContact C-N 3.35Å; R292-K294 PolarHBondContact O-N 3.21Å; R292-Q295 PolarHBondContact O-N 2.88Å; R292-R296 PolarHBondContact O-N 2.85Å; R292-V344 HydrophobicContact CG-CG2 3.97Å
293	R	69.3	Low	70.9	Confident	142 Å²	142	75.1 Å²	75.1	54%	0.536	34%	0.34	S	S	.	.	H	α-helix	trans	-58.5	-46.6	174	-174.6	178.9	71.3	107.1	-12.8	111.5	H289 T290 W291 Q295 R296 E297	H289-R293 WeakPolarHBondContact O-CB 3.34Å; H289-R293 PolarHBondContact O-N 3.41Å; H289-R293 VanDerWaalsContact O-N 3.16Å; T290-R293 PolarHBondContact O-N 3.49Å; W291-R293 VanDerWaalsContact C-N 3.34Å; W291-R293 PolarHBondContact O-N 3.05Å; R293-Q295 PolarHBondContact O-N 3.2Å; R293-R296 WeakPolarHBondContact O-CB 3.41Å; R293-R296 PolarHBondContact O-N 3.05Å; R293-E297 IonicContact CZ-OE1 3.47Å; R293-E297 IonicContact NE-OE1 3.56Å; R293-E297 IonicContact NH1-OE1 3.57Å; R293-E297 PolarHBondContact NH1-OE1 2.9Å; R293-E297 WeakPolarHBondContact O-CG 3.44Å; R293-E297 PolarHBondContact O-N 3.43Å
294	K	69.9	Low	69.4	Low	113 Å²	113	77.8 Å²	77.8	49%	0.491	36%	0.355	S	S	.	.	H	α-helix	trans	-65.7	-37.4	178.5	-168.6	178.9	-174.4	-178.9	0	112.3	T290 W291 R292 R298	T290-K294 WeakPolarHBondContact O-CB 3.31Å; T290-K294 PolarHBondContact O-N 2.69Å; W291-K294 PolarHBondContact O-N 3Å; R292-K294 VanDerWaalsContact C-N 3.35Å; R292-K294 PolarHBondContact O-N 3.21Å; K294-R298 VanDerWaalsContact O-CG 3.3Å; K294-R298 WeakPolarHBondContact O-CG 3.29Å; K294-R298 PolarHBondContact O-N 3.22Å; K294-R298 VanDerWaalsContact O-N 3.07Å
295	Q	69.3	Low	67.5	Low	72 Å²	72	85.2 Å²	85.2	34%	0.336	39%	0.388	S	S	.	.	H	α-helix	trans	-63.3	-44.1	171.9	-77.8	-152.9	-15.3	0	0	111.4	W291 R292 R293 E297 R298 A299	W291-Q295 HydrophobicContact CZ2-CG 4.42Å; W291-Q295 PolarHBondContact O-N 2.85Å; R292-Q295 PolarHBondContact O-N 2.88Å; R293-Q295 PolarHBondContact O-N 3.2Å; Q295-E297 PolarHBondContact O-N 3.31Å; Q295-R298 PolarHBondContact O-N 3.34Å; Q295-A299 VanDerWaalsContact O-CB 3.3Å; Q295-A299 WeakPolarHBondContact O-CB 3.44Å; Q295-A299 PolarHBondContact O-N 3.5Å
296	R	65.1	Low	65.4	Low	188 Å²	188	90.3 Å²	90.3	71%	0.709	41%	0.414	S	S	*	.	H	α-helix	trans	-60.6	-44.9	175.7	-171.3	178	-177	176.2	2.6	111.9	R292 R293 R298 A299 S300	R292-R296 PolarHBondContact O-N 2.85Å; R293-R296 WeakPolarHBondContact O-CB 3.41Å; R293-R296 PolarHBondContact O-N 3.05Å; R296-R298 VanDerWaalsContact C-N 3.31Å; R296-R298 PolarHBondContact O-N 3.11Å; R296-A299 PolarHBondContact O-N 3.08Å; R296-S300 VanDerWaalsContact O-CB 3.28Å; R296-S300 WeakPolarHBondContact O-CB 3.22Å; R296-S300 PolarHBondContact O-N 2.81Å; R296-S300 PolarHBondContact O-OG 2.91Å
297	E	66	Low	63.5	Low	90 Å²	90	93.3 Å²	93.3	42%	0.421	43%	0.434	S	S	.	.	H	α-helix	trans	-62.2	-37.4	177	-72.8	172.2	-169	0	0	112.4	R293 Q295 R301	R293-E297 IonicContact CZ-OE1 3.47Å; R293-E297 IonicContact NE-OE1 3.56Å; R293-E297 IonicContact NH1-OE1 3.57Å; R293-E297 PolarHBondContact NH1-OE1 2.9Å; R293-E297 WeakPolarHBondContact O-CG 3.44Å; R293-E297 PolarHBondContact O-N 3.43Å; Q295-E297 PolarHBondContact O-N 3.31Å; E297-R301 WeakPolarHBondContact O-CG 3.27Å; E297-R301 PolarHBondContact O-N 3.41Å
298	R	64	Low	61.4	Low	147 Å²	147	98.5 Å²	98.5	56%	0.555	46%	0.462	S	S	*	.	H	α-helix	trans	-70.7	-44.3	174.5	-72.4	170.8	175	-178.6	-5.8	112.2	K294 Q295 R296 R301 N302	K294-R298 VanDerWaalsContact O-CG 3.3Å; K294-R298 WeakPolarHBondContact O-CG 3.29Å; K294-R298 PolarHBondContact O-N 3.22Å; K294-R298 VanDerWaalsContact O-N 3.07Å; Q295-R298 PolarHBondContact O-N 3.34Å; R296-R298 VanDerWaalsContact C-N 3.31Å; R296-R298 PolarHBondContact O-N 3.11Å; R298-R301 PolarHBondContact O-N 3.15Å; R298-N302 PolarHBondContact O-N 3.05Å; R298-N302 VanDerWaalsContact O-N 3.1Å
299	A	61.8	Low	59.4	Low	44 Å²	44	105.1 Å²	105.1	36%	0.364	50%	0.496	S	S	.	.	H	α-helix	trans	-63.7	-46.9	177.4	0	0	0	0	0	110.4	Q295 R296 R301 N302 F303	Q295-A299 VanDerWaalsContact O-CB 3.3Å; Q295-A299 WeakPolarHBondContact O-CB 3.44Å; Q295-A299 PolarHBondContact O-N 3.5Å; R296-A299 PolarHBondContact O-N 3.08Å; A299-R301 PolarHBondContact O-N 3.33Å; A299-N302 CarbonylContact O-C 3.6Å; A299-N302 PolarHBondContact O-N 3.25Å; A299-N302 VanDerWaalsContact O-N 3.09Å; A299-F303 WeakPolarHBondContact O-CB 3.28Å; A299-F303 WeakPolarHBondContact O-CD2 3.49Å; A299-F303 PolarHBondContact O-N 3.01Å
300	S	57.7	Low	57.5	Low	58 Å²	58	105 Å²	105	41%	0.406	51%	0.506	S	S	.	.	H	α-helix	trans	-58	-45.1	173	-72.2	0	0	0	0	111.6	R296 N302 F303 T304	R296-S300 VanDerWaalsContact O-CB 3.28Å; R296-S300 WeakPolarHBondContact O-CB 3.22Å; R296-S300 PolarHBondContact O-N 2.81Å; R296-S300 PolarHBondContact O-OG 2.91Å; S300-N302 PolarHBondContact O-N 2.95Å; S300-F303 CarbonylContact O-C 3.13Å; S300-F303 PolarHBondContact O-N 3.35Å; S300-F303 VanDerWaalsContact O-N 3.11Å; S300-T304 PolarHBondContact O-N 3.11Å; S300-T304 PolarHBondContact O-OG1 3.35Å
301	R	57.7	Low	55.7	Low	199 Å²	199	109 Å²	109	75%	0.751	53%	0.525	S	S	*	.	H	α-helix	trans	-60.7	-32	175.4	-78.4	177.1	177.9	-169.4	-0.1	113.9	E297 R298 A299	E297-R301 WeakPolarHBondContact O-CG 3.27Å; E297-R301 PolarHBondContact O-N 3.41Å; R298-R301 PolarHBondContact O-N 3.15Å; A299-R301 PolarHBondContact O-N 3.33Å
302	N	53.5	Low	53.5	Low	119 Å²	119	111.2 Å²	111.2	64%	0.636	55%	0.551	S	S	*	*	H	α-helix	trans	-79.2	-33.5	175.2	-68.1	-13.8	0	0	0	111.9	R298 A299 S300 K305 L306	R298-N302 PolarHBondContact O-N 3.05Å; R298-N302 VanDerWaalsContact O-N 3.1Å; A299-N302 CarbonylContact O-C 3.6Å; A299-N302 PolarHBondContact O-N 3.25Å; A299-N302 VanDerWaalsContact O-N 3.09Å; S300-N302 PolarHBondContact O-N 2.95Å; N302-K305 WeakPolarHBondContact O-CB 3.38Å; N302-L306 PolarHBondContact O-N 3.21Å
303	F	51.7	Low	51.5	Low	105 Å²	105	116.8 Å²	116.8	46%	0.461	58%	0.58	S	S	.	*	H	α-helix	trans	-78.7	-35.2	178	-98.5	-88	0	0	0	113.2	A299 S300 K305 L306 C307	A299-F303 WeakPolarHBondContact O-CB 3.28Å; A299-F303 WeakPolarHBondContact O-CD2 3.49Å; A299-F303 PolarHBondContact O-N 3.01Å; S300-F303 CarbonylContact O-C 3.13Å; S300-F303 PolarHBondContact O-N 3.35Å; S300-F303 VanDerWaalsContact O-N 3.11Å; F303-K305 PolarHBondContact O-N 3.39Å; F303-L306 HydrophobicContact CD1-CD2 4.36Å; F303-L306 HydrophobicContact CE1-CD2 4.23Å; F303-L306 CarbonylContact O-C 3.54Å; F303-L306 WeakPolarHBondContact O-CA 3.48Å; F303-L306 WeakPolarHBondContact O-CB 3.44Å; F303-L306 PolarHBondContact O-N 2.97Å; F303-C307 WeakPolarHBondContact O-CB 3.48Å; F303-C307 PolarHBondContact O-N 3.08Å; F303-C307 PolarHBondContact O-SG 3.46Å; F303-C307 VanDerWaalsContact O-SG 3.35Å
304	T	49.8	Very low	49.6	Very low	77 Å²	77	119 Å²	119	47%	0.472	60%	0.599	S	S	.	*	H	α-helix	trans	-60.1	-33.6	171	-39.1	0	0	0	0	109.8	S300 L306 D308	S300-T304 PolarHBondContact O-N 3.11Å; S300-T304 PolarHBondContact O-OG1 3.35Å; T304-L306 VanDerWaalsContact C-N 3.31Å; T304-L306 PolarHBondContact O-N 3.21Å; T304-D308 WeakPolarHBondContact O-CB 3.28Å; T304-D308 VanDerWaalsContact O-CG 3.28Å; T304-D308 PolarHBondContact O-N 2.99Å
305	K	46.7	Very low	47.5	Very low	159 Å²	159	122 Å²	122	69%	0.691	61%	0.614	S	S	*	*	H	α-helix	trans	-72.1	-22	173	-135.9	-179.3	-173.9	-175.1	0	114.1	N302 F303 L309	N302-K305 WeakPolarHBondContact O-CB 3.38Å; F303-K305 PolarHBondContact O-N 3.39Å; K305-L309 WeakPolarHBondContact O-CD1 3.43Å
306	L	41.8	Very low	45.6	Very low	114 Å²	114	124.5 Å²	124.5	60%	0.597	64%	0.637	S	S	*	*	H	α-helix	trans	-90.7	-28.4	177.2	-161	72	0	0	0	111.6	N302 F303 T304	N302-L306 PolarHBondContact O-N 3.21Å; F303-L306 HydrophobicContact CD1-CD2 4.36Å; F303-L306 HydrophobicContact CE1-CD2 4.23Å; F303-L306 CarbonylContact O-C 3.54Å; F303-L306 WeakPolarHBondContact O-CA 3.48Å; F303-L306 WeakPolarHBondContact O-CB 3.44Å; F303-L306 PolarHBondContact O-N 2.97Å; T304-L306 VanDerWaalsContact C-N 3.31Å; T304-L306 PolarHBondContact O-N 3.21Å
307	C	41.7	Very low	43.9	Very low	73 Å²	73	122.3 Å²	122.3	49%	0.493	65%	0.645	S	S	.	*	H	α-helix	trans	-86.6	-26.8	174.1	-62.2	0	0	0	0	113	F303 L309 S310	F303-C307 WeakPolarHBondContact O-CB 3.48Å; F303-C307 PolarHBondContact O-N 3.08Å; F303-C307 PolarHBondContact O-SG 3.46Å; F303-C307 VanDerWaalsContact O-SG 3.35Å; C307-L309 PolarHBondContact O-N 3.44Å; C307-S310 PolarHBondContact O-N 3.14Å; C307-S310 PolarHBondContact O-OG 2.98Å
308	D	37.1	Very low	42.5	Very low	110 Å²	110	125.6 Å²	125.6	59%	0.588	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	-8.6	172.5	-86	-15.5	0	0	0	112.8	T304 S310	T304-D308 WeakPolarHBondContact O-CB 3.28Å; T304-D308 VanDerWaalsContact O-CG 3.28Å; T304-D308 PolarHBondContact O-N 2.99Å; D308-S310 VanDerWaalsContact C-N 3.34Å
309	L	41.5	Very low	40.9	Very low	142 Å²	142	125.9 Å²	125.9	74%	0.743	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-4.5	175.8	-93.8	155.7	0	0	0	113.3	K305 C307	K305-L309 WeakPolarHBondContact O-CD1 3.43Å; C307-L309 PolarHBondContact O-N 3.44Å
310	S	36.7	Very low	39.6	Very low	89 Å²	89	127.4 Å²	127.4	62%	0.622	70%	0.698	S	S	*	*	S	Bend	trans	-98.1	-9.6	174.2	53.8	0	0	0	0	114.5	C307 D308	C307-S310 PolarHBondContact O-N 3.14Å; C307-S310 PolarHBondContact O-OG 2.98Å; D308-S310 VanDerWaalsContact C-N 3.34Å
311	D	36.7	Very low	38.3	Very low	139 Å²	139	133 Å²	133	74%	0.743	72%	0.72	S	S	*	*			trans	-100.7	29.4	-173.7	-75.7	-6	0	0	0	113.7
312	A	32.6	Very low	37.3	Very low	82 Å²	82	130.4 Å²	130.4	68%	0.678	72%	0.72	S	S	*	*			trans	-121.2	76	170.8	0	0	0	0	0	110.3
313	E	30.8	Very low	36.4	Very low	190 Å²	190	131.5 Å²	131.5	89%	0.888	73%	0.726	S	S	*	*			trans	176.7	122	132.1	-96.4	168.1	-168.6	0	0	111.4
314	M	29.3	Very low	35.6	Very low	189 Å²	189	132.7 Å²	132.7	93%	0.931	74%	0.741	S	S	*	*			trans	128.1	127.6	133.8	-148.4	135.8	-168.8	0	0	116.7
315	E	26.6	Very low	34.8	Very low	175 Å²	175	137.4 Å²	137.4	82%	0.818	76%	0.755	S	S	*	*			trans	-58.7	159.9	179.6	-70.3	-177	144.8	0	0	114.5
316	P	29.6	Very low	34.1	Very low	126 Å²	126	136.2 Å²	136.2	82%	0.818	76%	0.757	S	S	*	*			trans	-84.9	121.3	-173.7	33.4	-29.3	0	0	0	110.9
317	T	27.6	Very low	33.9	Very low	141 Å²	141	137.7 Å²	137.7	87%	0.865	76%	0.764	S	S	*	*			trans	-116.7	128.9	157.5	48.6	0	0	0	0	110.2	D319	T317-D319 PolarHBondContact O-N 3.39Å
318	D	37.7	Very low	33.8	Very low	159 Å²	159	138.1 Å²	138.1	85%	0.85	77%	0.768	S	S	*	*			trans	-62.4	104.7	179.8	-170.8	33.4	0	0	0	111.1
319	D	30.4	Very low	33.8	Very low	154 Å²	154	141.7 Å²	141.7	82%	0.824	78%	0.778	S	S	*	*			trans	-174.3	130.5	141	-104.4	-26.4	0	0	0	109.5	T317	T317-D319 PolarHBondContact O-N 3.39Å
320	G	35.4	Very low	33.7	Very low	75 Å²	75	141.7 Å²	141.7	77%	0.773	77%	0.774	S	S	*	*			trans	-73	138.5	-165.8	0	0	0	0	0	115.4
321	M	30.4	Very low	34	Very low	176 Å²	176	145.9 Å²	145.9	87%	0.867	78%	0.778	S	S	*	*			trans	-168.4	135.8	135	-160	127.9	-108.2	0	0	109.2	L323	M321-L323 PolarHBondContact O-N 3.4Å
322	N	35.4	Very low	34	Very low	144 Å²	144	144.2 Å²	144.2	77%	0.77	78%	0.775	S	S	*	*			trans	-55.4	102.4	179	-72.7	-44.8	0	0	0	112.5
323	L	35.2	Very low	34.2	Very low	142 Å²	142	146.5 Å²	146.5	74%	0.743	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	11.2	177.1	-109.5	155.4	0	0	0	114.1	M321	M321-L323 PolarHBondContact O-N 3.4Å
324	V	33.8	Very low	34.6	Very low	130 Å²	130	144 Å²	144	79%	0.788	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-20.8	174.7	-179	0	0	0	0	111.9
325	F	33.1	Very low	34.8	Very low	176 Å²	176	141.7 Å²	141.7	77%	0.772	76%	0.755	S	S	*	*	S	Bend	trans	-88	-9.1	-174.5	-97.1	-81.6	0	0	0	115.2
326	D	31.6	Very low	35.1	Very low	134 Å²	134	140.8 Å²	140.8	72%	0.717	75%	0.748	S	S	*	*	S	Bend	trans	-100	-0.3	-172.9	-145	21.8	0	0	0	114.7	S328	D326-S328 VanDerWaalsContact C-N 3.27Å
327	I	38.8	Very low	35.6	Very low	145 Å²	145	139 Å²	139	74%	0.744	74%	0.739	S	S	*	*	S	Bend	trans	-86.6	-3.5	169.4	-54.2	177	0	0	0	111	F329	I327-F329 PolarHBondContact O-N 2.97Å; I327-F329 VanDerWaalsContact O-N 3.13Å
328	S	39	Very low	36.2	Very low	83 Å²	83	136.6 Å²	136.6	58%	0.58	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-6.4	-178.5	-174.8	0	0	0	0	114.7	D326	D326-S328 VanDerWaalsContact C-N 3.27Å
329	F	37.9	Very low	36.1	Very low	185 Å²	185	137.6 Å²	137.6	81%	0.811	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.6	2.4	-169.5	-115.4	-89.2	0	0	0	117	I327	I327-F329 PolarHBondContact O-N 2.97Å; I327-F329 VanDerWaalsContact O-N 3.13Å
330	Q	39.6	Very low	36.9	Very low	141 Å²	141	133.1 Å²	133.1	66%	0.659	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.2	-14.7	-175.2	-156.3	55.3	58.6	0	0	117.4
331	Y	42.6	Very low	37.4	Very low	177 Å²	177	134.5 Å²	134.5	69%	0.694	70%	0.704	S	S	*	*			trans	-152.2	90.9	172.6	-63.3	-79	0	0	0	113.1	D333	Y331-D333 PolarHBondContact O-N 3.18Å
332	P	36.3	Very low	38.5	Very low	105 Å²	105	129.8 Å²	129.8	68%	0.682	69%	0.687	S	S	*	*	H	α-helix	trans	-65.5	-20	177.4	-17.3	30.1	0	0	0	114.1	L334	P332-L334 VanDerWaalsContact C-N 3.32Å; P332-L334 PolarHBondContact O-N 3.45Å
333	D	37.8	Very low	39.8	Very low	130 Å²	130	128.5 Å²	128.5	70%	0.695	68%	0.675	S	S	*	*	H	α-helix	trans	-76.2	-18.3	-173	-59.3	-36.6	0	0	0	113.5	Y331 S337	Y331-D333 PolarHBondContact O-N 3.18Å; D333-S337 PolarHBondContact O-OG 3.05Å
334	L	37.5	Very low	41.7	Very low	136 Å²	136	122 Å²	122	71%	0.712	64%	0.641	S	S	*	*	H	α-helix	trans	-87.4	-31.1	-176	-145.1	73.2	0	0	0	112.7	P332	P332-L334 VanDerWaalsContact C-N 3.32Å; P332-L334 PolarHBondContact O-N 3.45Å
335	E	34	Very low	44.1	Very low	142 Å²	142	121.1 Å²	121.1	66%	0.664	63%	0.63	S	S	*	*	H	α-helix	trans	-78.4	-30.7	178.5	-158.5	171	-167.4	0	0	112.1	S337 C338	E335-S337 PolarHBondContact O-N 3.15Å; E335-C338 PolarHBondContact O-N 3.44Å; E335-C338 VanDerWaalsContact O-N 3.17Å
336	F	34.6	Very low	46.7	Very low	155 Å²	155	113.2 Å²	113.2	68%	0.68	60%	0.596	S	S	*	*	H	α-helix	trans	-64.6	-23.5	174.5	-153.1	-96.2	0	0	0	113	S340	F336-S340 PolarHBondContact O-OG 3.18Å
337	S	39.5	Very low	49.2	Very low	90 Å²	90	109.9 Å²	109.9	63%	0.629	58%	0.581	S	S	*	*	H	α-helix	trans	-81.8	-17.8	178.4	-60.8	0	0	0	0	113.6	D333 E335	D333-S337 PolarHBondContact O-OG 3.05Å; E335-S337 PolarHBondContact O-N 3.15Å
338	C	39.9	Very low	51.4	Low	90 Å²	90	105.4 Å²	105.4	61%	0.608	56%	0.561	S	S	*	*	H	α-helix	trans	-97.7	-20.4	-178.2	-83.3	0	0	0	0	114.1	E335	E335-C338 PolarHBondContact O-N 3.44Å; E335-C338 VanDerWaalsContact O-N 3.17Å
339	H	35.1	Very low	53	Low	179 Å²	179	108.1 Å²	108.1	83%	0.829	57%	0.566	S	S	*	*	H	α-helix	trans	-125.1	2.8	-174.4	-97.8	-70.5	0	0	0	116.9
340	S	46.6	Very low	54.4	Low	60 Å²	60	102 Å²	102	42%	0.42	55%	0.545	S	S	.	.			trans	-132.1	93.6	175.8	12	0	0	0	0	112	F336	F336-S340 PolarHBondContact O-OG 3.18Å
341	S	47.2	Very low	55.6	Low	104 Å²	104	98.5 Å²	98.5	73%	0.727	53%	0.531	S	S	*	.			trans	-135.5	117.2	152.4	53.5	0	0	0	0	108.9	F343	S341-F343 PolarHBondContact O-N 3.4Å
342	P	52.9	Low	56	Low	78 Å²	78	92.9 Å²	92.9	51%	0.506	52%	0.521	S	S	.	.			trans	-72.1	131.9	-171.1	32.1	-33.2	0	0	0	107.7	L275 V344	L275-P342 HydrophobicContact CD2-CG 3.79Å; P342-V344 PolarHBondContact O-N 2.97Å
343	F	62.8	Low	56.9	Low	116 Å²	116	90.8 Å²	90.8	51%	0.509	50%	0.502	S	S	.	.			trans	-42.5	133	159.1	-178.4	-92	0	0	0	109.1	H289 S341 M345	H289-F343 AromaticContact CD2-CE2 3.27Å; H289-F343 WeakPolarHBondContact CD2-CE2 3.47Å; H289-F343 AromaticContact CD2-CZ 3.58Å; H289-F343 AromaticContact NE2-CE2 3.65Å; S341-F343 PolarHBondContact O-N 3.4Å; F343-M345 HydrophobicContact CD1-SD 4.05Å; F343-M345 PolarHBondContact O-N 3.3Å
344	V	75.9	Confident	58	Low	7 Å²	7	86.2 Å²	86.2	4%	0.042	48%	0.477	C	S	.	.			trans	-61.3	109.5	172.8	178.3	0	0	0	0	106.6	L274 L275 A277 F288 R292 P342 C346	L274-V344 HydrophobicContact CD2-CG1 4.31Å; L274-V344 HydrophobicContact CG-CG1 4.42Å; L274-V344 WeakPolarHBondContact O-CG2 3.43Å; L275-V344 CarbonylContact O-C 3.55Å; L275-V344 VanDerWaalsContact O-CA 3.3Å; L275-V344 WeakPolarHBondContact O-CA 3.32Å; A277-V344 HydrophobicContact CB-CG1 4.34Å; F288-V344 HydrophobicContact CB-CB 4.43Å; F288-V344 HydrophobicContact CB-CG1 4.39Å; F288-V344 HydrophobicContact CG-CG1 4.47Å; R292-V344 HydrophobicContact CG-CG2 3.97Å; P342-V344 PolarHBondContact O-N 2.97Å; V344-C346 PolarHBondContact O-N 2.97Å
345	M	83.3	Confident	59.3	Low	111 Å²	111	81 Å²	81	55%	0.547	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	96.2	-177.9	-70.2	-61.1	-68.6	0	0	107.6	L275 E276 A277 F343	L275-M345 PolarHBondContact O-N 3.01Å; E276-M345 WeakPolarHBondContact CA-O 3.18Å; E276-M345 HydrophobicContact CG-CB 4.47Å; A277-M345 PolarHBondContact N-O 3.33Å; F343-M345 HydrophobicContact CD1-SD 4.05Å; F343-M345 PolarHBondContact O-N 3.3Å
346	C	87.7	Confident	60.9	Low	9 Å²	9	76.5 Å²	76.5	6%	0.061	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	132.1	-175.2	-163.6	0	0	0	0	111.8	A277 C285 V344	A277-C346 HydrophobicContact CB-CB 4.34Å; A277-C346 CarbonylContact O-C 3.52Å; A277-C346 WeakPolarHBondContact O-CA 3.39Å; C285-C346 WeakPolarHBondContact CA-SG 3.22Å; C285-C346 HydrophobicContact CB-CB 3.63Å; C285-C346 WeakPolarHBondContact CB-SG 3.21Å; C285-C346 VanDerWaalsContact SG-C 3.51Å; C285-C346 WeakPolarHBondContact SG-CB 3.09Å; C285-C346 CovalentContact SG-SG 2.04Å; C285-C346 PolarHBondContact SG-SG 2.93Å; V344-C346 PolarHBondContact O-N 2.97Å
347	T	84.8	Confident	62.4	Low	64 Å²	64	73 Å²	73	39%	0.393	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147	175.5	62.6	0	0	0	0	110.2	A277 L279	A277-T347 PolarHBondContact O-N 2.99Å; L279-T347 PolarHBondContact N-O 3.33Å
348	P	84.4	Confident	63.8	Low	52 Å²	52	70.4 Å²	70.4	34%	0.338	40%	0.4	S	S	.	.	S	Bend	cis	-71.2	145.6	-5.2	30.6	-36.6	0	0	0	112.6	L279 P282 C285	L279-P348 WeakPolarHBondContact O-CD 2.99Å; P282-P348 HydrophobicContact CB-CG 4.23Å; P282-P348 HydrophobicContact CG-CB 4.38Å; P282-P348 HydrophobicContact CG-CG 3.72Å; C285-P348 PolarHBondContact SG-O 3.48Å; C285-P348 VanDerWaalsContact SG-O 3.38Å
349	M	72.2	Confident	65.3	Low	140 Å²	140	66.3 Å²	66.3	69%	0.69	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-63.9	143.3	175.7	-69	-179.6	178.4	0	0	110.6	D351	M349-D351 PolarHBondContact O-N 3.45Å
350	P	67.8	Low	66.9	Low	56 Å²	56	58.1 Å²	58.1	36%	0.364	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-58.8	136.7	176.4	25.2	-33.8	0	0	0	110.7
351	D	64.6	Low	68	Low	67 Å²	67	56.4 Å²	56.4	36%	0.358	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-85.9	166.3	179.8	67.4	-8.9	0	0	0	111.3	M349 F353 N354	M349-D351 PolarHBondContact O-N 3.45Å; D351-F353 PolarHBondContact O-N 3.19Å; D351-N354 CarbonylContact O-C 3.41Å; D351-N354 PolarHBondContact O-N 3.48Å; D351-N354 WeakPolarHBondContact OD1-CA 3.5Å; D351-N354 WeakPolarHBondContact OD1-CB 3.34Å; D351-N354 PolarHBondContact OD1-N 3.37Å; D351-N354 PolarHBondContact OD1-ND2 2.03Å; D351-N354 VanDerWaalsContact OD1-ND2 3.09Å
352	A	51.4	Low	69.4	Low	60 Å²	60	55.2 Å²	55.2	50%	0.496	31%	0.308	S	S	.	.	S	Bend	trans	-60	-30.6	177.6	0	0	0	0	0	111.6	V604	A352-V604 HydrophobicContact CB-CB 4.03Å; A352-V604 HydrophobicContact CB-CG2 3.56Å; A352-V604 WeakPolarHBondContact O-CB 3.24Å; A352-V604 WeakPolarHBondContact O-CG1 3.43Å
353	F	54.2	Low	70.7	Confident	61 Å²	61	56.2 Å²	56.2	27%	0.268	32%	0.315	S	S	.	.	S	Bend	trans	-73.5	-28.7	-178.3	-60.3	-73.2	0	0	0	113.8	D351 P355 V514 V604 K608	D351-F353 PolarHBondContact O-N 3.19Å; F353-P355 VanDerWaalsContact C-CD 3.47Å; F353-P355 WeakPolarHBondContact O-CD 3.38Å; F353-V514 HydrophobicContact CB-CG2 4.41Å; F353-V514 HydrophobicContact CD1-CG2 4.07Å; F353-V604 HydrophobicContact CD1-CG1 4.05Å; F353-V604 HydrophobicContact CD1-CG2 4.33Å; F353-V604 HydrophobicContact CE1-CG2 4.26Å; F353-K608 WeakPolarHBondContact O-CE 3.32Å; F353-K608 PolarHBondContact O-NZ 2.85Å
354	N	62.5	Low	71.6	Confident	34 Å²	34	56.2 Å²	56.2	18%	0.182	32%	0.315	C	S	.	.	S	Bend	trans	-124.9	70	178.3	-54.6	-69.6	0	0	0	111.4	D351 Q437 K513	D351-N354 CarbonylContact O-C 3.41Å; D351-N354 PolarHBondContact O-N 3.48Å; D351-N354 WeakPolarHBondContact OD1-CA 3.5Å; D351-N354 WeakPolarHBondContact OD1-CB 3.34Å; D351-N354 PolarHBondContact OD1-N 3.37Å; D351-N354 PolarHBondContact OD1-ND2 2.03Å; D351-N354 VanDerWaalsContact OD1-ND2 3.09Å; N354-Q437 PolarHBondContact OD1-NE2 3.37Å; N354-K513 PolarHBondContact ND2-O 2.99Å; N354-K513 VanDerWaalsContact ND2-O 3.16Å
355	P	64.1	Low	71.7	Confident	25 Å²	25	56.1 Å²	56.1	16%	0.162	31%	0.313	C	S	.	.			trans	-62	156.8	171.4	29.9	-35.3	0	0	0	110.7	F353 E357 K608	F353-P355 VanDerWaalsContact C-CD 3.47Å; F353-P355 WeakPolarHBondContact O-CD 3.38Å; P355-E357 PolarHBondContact O-N 2.82Å; P355-K608 VanDerWaalsContact CD-NZ 3.27Å
356	C	67	Low	71.8	Confident	48 Å²	48	52.3 Å²	52.3	32%	0.324	29%	0.293	S	S	.	.	S	Bend	trans	-71.2	47.7	-179.6	-55.8	0	0	0	0	114	C286	C286-C356 WeakPolarHBondContact CA-SG 3.42Å; C286-C356 HydrophobicContact CB-CB 3.36Å; C286-C356 WeakPolarHBondContact CB-SG 3.43Å; C286-C356 WeakPolarHBondContact SG-CA 3.41Å; C286-C356 WeakPolarHBondContact SG-CB 3.42Å; C286-C356 CovalentContact SG-SG 2.03Å; C286-C356 PolarHBondContact SG-SG 3.15Å
357	E	66.4	Low	71.8	Confident	82 Å²	82	55.7 Å²	55.7	38%	0.383	32%	0.316	S	S	.	.	S	Bend	trans	-124.4	156.9	-178	-65.1	176.1	-173.1	0	0	109.7	P355	P355-E357 PolarHBondContact O-N 2.82Å
358	D	68.3	Low	71.7	Confident	36 Å²	36	55.5 Å²	55.5	19%	0.193	31%	0.312	C	S	.	.			trans	-62.6	162	170.2	-70.7	-28.1	0	0	0	110.9	L360 G361 R366	D358-L360 VanDerWaalsContact C-N 3.31Å; D358-L360 PolarHBondContact O-N 3.44Å; D358-L360 VanDerWaalsContact O-N 3.1Å; D358-G361 PolarHBondContact O-N 3.25Å; D358-R366 IonicContact OD2-CZ 2.85Å; D358-R366 IonicContact OD2-NH1 3.57Å; D358-R366 IonicContact OD2-NH2 3.72Å; D358-R366 PolarHBondContact OD2-NH2 2.94Å
359	L	71.9	Confident	71.8	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.021	30%	0.298	C	S	.	.	S	Bend	trans	-46.4	-45.7	-175.6	-175.3	60.6	0	0	0	114.7	I418 M421 D422 Y429 S515	L359-I418 HydrophobicContact CD2-CG2 4.01Å; L359-I418 HydrophobicContact CG-CG2 4.42Å; L359-M421 HydrophobicContact CD2-CB 4.2Å; L359-D422 HydrophobicContact CB-CB 4.17Å; L359-D422 HydrophobicContact CD2-CB 4.11Å; L359-Y429 HydrophobicContact CB-CD2 4.33Å; L359-Y429 HydrophobicContact CB-CE2 4.1Å; L359-Y429 HydrophobicContact CD1-CE2 4.35Å; L359-S515 VanDerWaalsContact CD1-O 3.27Å; L359-S515 WeakPolarHBondContact CD1-O 2.91Å
360	L	68.9	Low	72.6	Confident	7 Å²	7	51.2 Å²	51.2	4%	0.037	28%	0.282	C	S	.	.	S	Bend	trans	-101.2	-10.1	175.4	-64.5	176.1	0	0	0	114	D358 F362 L365 R366 T369 I418 D422 I612	D358-L360 VanDerWaalsContact C-N 3.31Å; D358-L360 PolarHBondContact O-N 3.44Å; D358-L360 VanDerWaalsContact O-N 3.1Å; L360-F362 PolarHBondContact O-N 2.94Å; L360-L365 HydrophobicContact CB-CD2 4.48Å; L360-L365 HydrophobicContact CD2-CD2 4.48Å; L360-L365 WeakPolarHBondContact O-CD2 3.12Å; L360-R366 HydrophobicContact CB-CG 3.92Å; L360-R366 HydrophobicContact CD1-CG 3.93Å; L360-T369 HydrophobicContact CD1-CG2 4.39Å; L360-I418 HydrophobicContact CD2-CG2 4.23Å; L360-D422 HydrophobicContact CD1-CB 3.89Å; L360-D422 HydrophobicContact CG-CB 4.04Å; L360-D422 PolarHBondContact N-OD1 3.21Å; L360-I612 HydrophobicContact CD2-CD1 3.62Å; L360-I612 HydrophobicContact CD2-CG1 4.36Å; L360-I612 HydrophobicContact CD2-CG2 4.19Å
361	G	69.5	Low	73.5	Confident	24 Å²	24	52.8 Å²	52.8	25%	0.247	29%	0.287	C	S	.	.			trans	67.1	-56.8	176.8	0	0	0	0	0	116	D358	D358-G361 PolarHBondContact O-N 3.25Å
362	F	76.2	Confident	74.6	Confident	78 Å²	78	50.1 Å²	50.1	34%	0.342	27%	0.273	S	S	.	.	S	Bend	trans	-107.6	140.2	-168.2	-60.2	-82.8	0	0	0	113.6	L360 F364 L365 R366 I609	L360-F362 PolarHBondContact O-N 2.94Å; F362-F364 VanDerWaalsContact C-N 3.34Å; F362-F364 HydrophobicContact CB-CD1 3.6Å; F362-F364 HydrophobicContact CB-CE1 3.39Å; F362-F364 HydrophobicContact CB-CZ 4.16Å; F362-F364 HydrophobicContact CD1-CE1 4.06Å; F362-F364 HydrophobicContact CD2-CE1 4.25Å; F362-F364 HydrophobicContact CG-CD1 4.28Å; F362-F364 AromaticContact CG-CE1 3.64Å; F362-F364 HydrophobicContact CG-CE1 3.64Å; F362-F364 HydrophobicContact CG-CZ 4.37Å; F362-F364 PolarHBondContact O-N 3.04Å; F362-L365 HydrophobicContact CB-CB 4.2Å; F362-L365 PolarHBondContact O-N 3.48Å; F362-R366 WeakPolarHBondContact O-CG 3.45Å; F362-R366 PolarHBondContact O-N 3.1Å; F362-I609 HydrophobicContact CD2-CD1 4.23Å; F362-I609 HydrophobicContact CD2-CG1 4.38Å; F362-I609 HydrophobicContact CE2-CD1 3.72Å; F362-I609 HydrophobicContact CE2-CG1 4.15Å; F362-I609 HydrophobicContact CZ-CD1 4.4Å
363	P	80.5	Confident	76.3	Confident	100 Å²	100	47.5 Å²	47.5	65%	0.649	25%	0.25	S	S	*	.	H	α-helix	trans	-63.7	-34.4	179.4	24.8	-33.3	0	0	0	113.6	L365 R366 C367	P363-L365 VanDerWaalsContact C-N 3.35Å; P363-R366 PolarHBondContact O-N 3.47Å; P363-C367 PolarHBondContact O-N 3.05Å
364	F	82.1	Confident	78	Confident	116 Å²	116	48.8 Å²	48.8	51%	0.509	26%	0.263	S	S	.	.	H	α-helix	trans	-66.4	-39.1	176.8	78.6	-94.9	0	0	0	111.4	F362 R366 C367 L368	F362-F364 VanDerWaalsContact C-N 3.34Å; F362-F364 HydrophobicContact CB-CD1 3.6Å; F362-F364 HydrophobicContact CB-CE1 3.39Å; F362-F364 HydrophobicContact CB-CZ 4.16Å; F362-F364 HydrophobicContact CD1-CE1 4.06Å; F362-F364 HydrophobicContact CD2-CE1 4.25Å; F362-F364 HydrophobicContact CG-CD1 4.28Å; F362-F364 AromaticContact CG-CE1 3.64Å; F362-F364 HydrophobicContact CG-CE1 3.64Å; F362-F364 HydrophobicContact CG-CZ 4.37Å; F362-F364 PolarHBondContact O-N 3.04Å; F364-R366 VanDerWaalsContact C-N 3.32Å; F364-R366 PolarHBondContact O-N 3.13Å; F364-C367 PolarHBondContact O-N 3.28Å; F364-L368 WeakPolarHBondContact O-CB 3.41Å; F364-L368 PolarHBondContact O-N 3.32Å
365	L	78.1	Confident	79.2	Confident	4 Å²	4	52.5 Å²	52.5	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-67.3	-37.4	-178.7	-160.5	73.3	0	0	0	110.6	L360 F362 P363 L368 T369 I609 I612	L360-L365 HydrophobicContact CB-CD2 4.48Å; L360-L365 HydrophobicContact CD2-CD2 4.48Å; L360-L365 WeakPolarHBondContact O-CD2 3.12Å; F362-L365 HydrophobicContact CB-CB 4.2Å; F362-L365 PolarHBondContact O-N 3.48Å; P363-L365 VanDerWaalsContact C-N 3.35Å; L365-L368 PolarHBondContact O-N 2.89Å; L365-T369 WeakPolarHBondContact O-CB 3.33Å; L365-T369 PolarHBondContact O-N 2.79Å; L365-T369 PolarHBondContact O-OG1 3.38Å; L365-I609 HydrophobicContact CD1-CG2 4.5Å; L365-I612 HydrophobicContact CD1-CG2 4.14Å; L365-I612 HydrophobicContact CD2-CB 4.15Å; L365-I612 HydrophobicContact CD2-CD1 3.75Å; L365-I612 HydrophobicContact CD2-CG2 3.93Å; L365-I612 HydrophobicContact CG-CG2 3.95Å
366	R	85.6	Confident	80.3	Confident	32 Å²	32	51.4 Å²	51.4	12%	0.121	27%	0.271	C	S	.	.	H	α-helix	trans	-59.2	-51.3	172.5	-68.2	173.2	167.1	151.2	2.6	112.1	D358 L360 F362 P363 F364 L368 T369 W370 D422	D358-R366 IonicContact OD2-CZ 2.85Å; D358-R366 IonicContact OD2-NH1 3.57Å; D358-R366 IonicContact OD2-NH2 3.72Å; D358-R366 PolarHBondContact OD2-NH2 2.94Å; L360-R366 HydrophobicContact CB-CG 3.92Å; L360-R366 HydrophobicContact CD1-CG 3.93Å; F362-R366 WeakPolarHBondContact O-CG 3.45Å; F362-R366 PolarHBondContact O-N 3.1Å; P363-R366 PolarHBondContact O-N 3.47Å; F364-R366 VanDerWaalsContact C-N 3.32Å; F364-R366 PolarHBondContact O-N 3.13Å; R366-L368 VanDerWaalsContact C-N 3.32Å; R366-L368 PolarHBondContact O-N 2.97Å; R366-T369 PolarHBondContact O-N 3.28Å; R366-W370 VanDerWaalsContact O-CD1 3.29Å; R366-W370 PolarHBondContact O-N 2.04Å; R366-W370 VanDerWaalsContact O-N 3.12Å; R366-D422 WeakPolarHBondContact CD-OD2 3.36Å; R366-D422 WeakPolarHBondContact CG-OD2 3.47Å; R366-D422 IonicContact CZ-OD1 3.61Å; R366-D422 IonicContact CZ-OD2 3.9Å; R366-D422 IonicContact NE-OD1 3.34Å; R366-D422 PolarHBondContact NE-OD1 3.07Å; R366-D422 IonicContact NE-OD2 2.83Å; R366-D422 PolarHBondContact NE-OD2 3.1Å; R366-D422 IonicContact NH2-OD1 2.77Å; R366-D422 PolarHBondContact NH2-OD1 3.43Å; R366-D422 IonicContact NH2-OD2 2.66Å
367	C	86.8	Confident	81.5	Confident	80 Å²	80	50.6 Å²	50.6	54%	0.541	27%	0.265	S	S	.	.	H	α-helix	trans	-58	-47.5	178.5	-174.8	0	0	0	0	111.1	P363 F364 T369 W370 L371	P363-C367 PolarHBondContact O-N 3.05Å; F364-C367 PolarHBondContact O-N 3.28Å; C367-T369 PolarHBondContact O-N 3.48Å; C367-W370 PolarHBondContact O-N 2.89Å; C367-L371 WeakPolarHBondContact O-CG 3.46Å; C367-L371 PolarHBondContact O-N 3.12Å; C367-L371 VanDerWaalsContact O-N 3.12Å
368	L	84.4	Confident	82.6	Confident	60 Å²	60	49.4 Å²	49.4	31%	0.314	27%	0.268	S	S	.	.	H	α-helix	trans	-64	-42.1	179.4	-175.1	61.3	0	0	0	112.9	F364 L365 R366 W370 L371 I372 L613	F364-L368 WeakPolarHBondContact O-CB 3.41Å; F364-L368 PolarHBondContact O-N 3.32Å; L365-L368 PolarHBondContact O-N 2.89Å; R366-L368 VanDerWaalsContact C-N 3.32Å; R366-L368 PolarHBondContact O-N 2.97Å; L368-W370 VanDerWaalsContact C-N 3.34Å; L368-W370 PolarHBondContact O-N 3.05Å; L368-L371 WeakPolarHBondContact O-CB 3.07Å; L368-L371 PolarHBondContact O-N 3.07Å; L368-I372 HydrophobicContact CD1-CD1 4.19Å; L368-I372 HydrophobicContact CD1-CG1 4.3Å; L368-I372 HydrophobicContact CD2-CD1 4.49Å; L368-I372 HydrophobicContact CG-CD1 3.87Å; L368-I372 HydrophobicContact CG-CG1 4.39Å; L368-I372 WeakPolarHBondContact O-CG1 3.45Å; L368-I372 PolarHBondContact O-N 2.93Å; L368-L613 HydrophobicContact CD2-CD1 3.27Å; L368-L613 HydrophobicContact CG-CD1 4.47Å
369	T	84.9	Confident	83.4	Confident	5 Å²	5	48.1 Å²	48.1	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-61.7	-42.6	179.3	-57.5	0	0	0	0	111.2	L360 L365 R366 C367 I372 T373 A419	L360-T369 HydrophobicContact CD1-CG2 4.39Å; L365-T369 WeakPolarHBondContact O-CB 3.33Å; L365-T369 PolarHBondContact O-N 2.79Å; L365-T369 PolarHBondContact O-OG1 3.38Å; R366-T369 PolarHBondContact O-N 3.28Å; C367-T369 PolarHBondContact O-N 3.48Å; T369-I372 PolarHBondContact O-N 3.14Å; T369-T373 VanDerWaalsContact O-CB 3.31Å; T369-T373 WeakPolarHBondContact O-CB 3.23Å; T369-T373 PolarHBondContact O-N 3.39Å; T369-T373 PolarHBondContact O-OG1 3.48Å; T369-A419 HydrophobicContact CG2-CB 4.3Å
370	W	88.8	Confident	84.3	Confident	96 Å²	96	48 Å²	48	36%	0.364	26%	0.263	S	S	.	.	H	α-helix	trans	-62.3	-43.1	174.5	-85	104.3	0	0	0	112.2	R366 C367 L368 T373 V374 A419	R366-W370 VanDerWaalsContact O-CD1 3.29Å; R366-W370 PolarHBondContact O-N 2.04Å; R366-W370 VanDerWaalsContact O-N 3.12Å; C367-W370 PolarHBondContact O-N 2.89Å; L368-W370 VanDerWaalsContact C-N 3.34Å; L368-W370 PolarHBondContact O-N 3.05Å; W370-T373 PolarHBondContact O-N 2.94Å; W370-V374 WeakPolarHBondContact O-CG2 3.13Å; W370-V374 PolarHBondContact O-N 3.23Å; W370-A419 HydrophobicContact CD2-CB 4.22Å; W370-A419 HydrophobicContact CH2-CB 4.41Å; W370-A419 HydrophobicContact CZ2-CB 3.92Å
371	L	88.3	Confident	85.3	Confident	90 Å²	90	51.7 Å²	51.7	47%	0.471	28%	0.283	S	S	.	.	H	α-helix	trans	-60.7	-51.8	175.9	-69.7	171.4	0	0	0	111.6	C367 L368 T373 V374 F375	C367-L371 WeakPolarHBondContact O-CG 3.46Å; C367-L371 PolarHBondContact O-N 3.12Å; C367-L371 VanDerWaalsContact O-N 3.12Å; L368-L371 WeakPolarHBondContact O-CB 3.07Å; L368-L371 PolarHBondContact O-N 3.07Å; L371-T373 VanDerWaalsContact C-N 3.29Å; L371-T373 PolarHBondContact O-N 3.44Å; L371-V374 PolarHBondContact O-N 2.98Å; L371-F375 HydrophobicContact CD2-CE2 4.48Å; L371-F375 WeakPolarHBondContact O-CD2 3.41Å; L371-F375 PolarHBondContact O-N 3.41Å; L371-F375 VanDerWaalsContact O-N 3.11Å
372	I	86.2	Confident	86	Confident	11 Å²	11	52.8 Å²	52.8	6%	0.056	29%	0.289	C	S	.	.	H	α-helix	trans	-57.2	-45.6	179.1	-67.5	170.7	0	0	0	110.3	L368 T369 F375 A376 L415 P616 L620	L368-I372 HydrophobicContact CD1-CD1 4.19Å; L368-I372 HydrophobicContact CD1-CG1 4.3Å; L368-I372 HydrophobicContact CD2-CD1 4.49Å; L368-I372 HydrophobicContact CG-CD1 3.87Å; L368-I372 HydrophobicContact CG-CG1 4.39Å; L368-I372 WeakPolarHBondContact O-CG1 3.45Å; L368-I372 PolarHBondContact O-N 2.93Å; T369-I372 PolarHBondContact O-N 3.14Å; I372-F375 PolarHBondContact O-N 2.97Å; I372-A376 WeakPolarHBondContact O-CB 3.33Å; I372-A376 PolarHBondContact O-N 3.47Å; I372-L415 HydrophobicContact CG2-CD1 4.07Å; I372-P616 HydrophobicContact CG2-CB 4.07Å; I372-P616 HydrophobicContact CG2-CG 4.24Å; I372-L620 HydrophobicContact CG1-CD2 4.33Å
373	T	88.6	Confident	86.4	Confident	4 Å²	4	49.2 Å²	49.2	3%	0.025	27%	0.274	C	S	.	.	H	α-helix	trans	-60.1	-49.1	-179.3	-58.7	0	0	0	0	111.8	T369 W370 L371 F375 A376 V377 L415 M416	T369-T373 VanDerWaalsContact O-CB 3.31Å; T369-T373 WeakPolarHBondContact O-CB 3.23Å; T369-T373 PolarHBondContact O-N 3.39Å; T369-T373 PolarHBondContact O-OG1 3.48Å; W370-T373 PolarHBondContact O-N 2.94Å; L371-T373 VanDerWaalsContact C-N 3.29Å; L371-T373 PolarHBondContact O-N 3.44Å; T373-F375 PolarHBondContact O-N 3.44Å; T373-A376 PolarHBondContact O-N 3.48Å; T373-V377 HydrophobicContact CG2-CG2 4.48Å; T373-V377 WeakPolarHBondContact O-CB 3.36Å; T373-V377 WeakPolarHBondContact O-CG2 3.32Å; T373-V377 PolarHBondContact O-N 2.89Å; T373-L415 HydrophobicContact CG2-CB 4.47Å; T373-L415 WeakPolarHBondContact OG1-CB 3.39Å; T373-M416 HydrophobicContact CG2-CB 3.59Å; T373-M416 HydrophobicContact CG2-CG 4.2Å
374	V	89.8	Confident	86.8	Confident	88 Å²	88	46 Å²	46	53%	0.533	25%	0.251	S	S	.	.	H	α-helix	trans	-61.4	-47.6	-179	170	0	0	0	0	110.9	W370 L371 A378	W370-V374 WeakPolarHBondContact O-CG2 3.13Å; W370-V374 PolarHBondContact O-N 3.23Å; L371-V374 PolarHBondContact O-N 2.98Å; V374-A378 WeakPolarHBondContact O-CB 2.98Å; V374-A378 PolarHBondContact O-N 3Å
375	F	87.4	Confident	86.9	Confident	113 Å²	113	43.5 Å²	43.5	50%	0.496	25%	0.245	S	C	.	.	H	α-helix	trans	-69	-38.8	-179.8	-74.5	-65.7	0	0	0	112.8	L371 I372 T373 G379 L620	L371-F375 HydrophobicContact CD2-CE2 4.48Å; L371-F375 WeakPolarHBondContact O-CD2 3.41Å; L371-F375 PolarHBondContact O-N 3.41Å; L371-F375 VanDerWaalsContact O-N 3.11Å; I372-F375 PolarHBondContact O-N 2.97Å; T373-F375 PolarHBondContact O-N 3.44Å; F375-G379 WeakPolarHBondContact O-CA 3.39Å; F375-G379 PolarHBondContact O-N 3.37Å; F375-L620 HydrophobicContact CB-CD1 3.28Å; F375-L620 HydrophobicContact CG-CD1 4.36Å
376	A	87.7	Confident	87.1	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.008	25%	0.247	C	C	.	.	H	α-helix	trans	-64.4	-47.2	178	0	0	0	0	0	111.4	I372 T373 N380	I372-A376 WeakPolarHBondContact O-CB 3.33Å; I372-A376 PolarHBondContact O-N 3.47Å; T373-A376 PolarHBondContact O-N 3.48Å; A376-N380 VanDerWaalsContact O-CB 3.3Å; A376-N380 WeakPolarHBondContact O-CB 3.2Å; A376-N380 PolarHBondContact O-N 3.35Å; A376-N380 VanDerWaalsContact O-N 3.12Å; A376-N380 PolarHBondContact O-ND2 3.09Å
377	V	91.1	Very high	86.8	Confident	32 Å²	32	43.7 Å²	43.7	19%	0.194	25%	0.249	C	C	.	.	H	α-helix	trans	-67.2	-50	178.8	173.5	0	0	0	0	110.9	T373 G379 L381 L409	T373-V377 HydrophobicContact CG2-CG2 4.48Å; T373-V377 WeakPolarHBondContact O-CB 3.36Å; T373-V377 WeakPolarHBondContact O-CG2 3.32Å; T373-V377 PolarHBondContact O-N 2.89Å; V377-G379 PolarHBondContact O-N 3.4Å; V377-L381 WeakPolarHBondContact O-CB 3.44Å; V377-L381 PolarHBondContact O-N 3.31Å; V377-L409 HydrophobicContact CB-CD1 4.48Å; V377-L409 HydrophobicContact CG1-CD1 4.06Å
378	A	89.4	Confident	86.6	Confident	56 Å²	56	45.5 Å²	45.5	46%	0.463	25%	0.252	S	S	.	.	H	α-helix	trans	-65	-43.2	-177.8	0	0	0	0	0	112.4	V374 A382	V374-A378 WeakPolarHBondContact O-CB 2.98Å; V374-A378 PolarHBondContact O-N 3Å; A378-A382 VanDerWaalsContact O-CB 3.24Å; A378-A382 WeakPolarHBondContact O-CB 3.28Å; A378-A382 PolarHBondContact O-N 3.46Å
379	G	86.3	Confident	86.4	Confident	9 Å²	9	46.3 Å²	46.3	9%	0.093	26%	0.259	C	S	.	.	H	α-helix	trans	-63.9	-52.1	179.9	0	0	0	0	0	112.2	F375 V377 A382 V383	F375-G379 WeakPolarHBondContact O-CA 3.39Å; F375-G379 PolarHBondContact O-N 3.37Å; V377-G379 PolarHBondContact O-N 3.4Å; G379-A382 PolarHBondContact O-N 3.13Å; G379-V383 VanDerWaalsContact O-CG2 3.3Å; G379-V383 WeakPolarHBondContact O-CG2 3.43Å; G379-V383 PolarHBondContact O-N 2.87Å
380	N	89.2	Confident	85.8	Confident	3 Å²	3	47.5 Å²	47.5	2%	0.016	27%	0.268	C	S	.	.	H	α-helix	trans	-68.2	-36.8	-179	-74.3	-67.8	0	0	0	112.4	A376 V383 L384 D408 L409 S619 P623	A376-N380 VanDerWaalsContact O-CB 3.3Å; A376-N380 WeakPolarHBondContact O-CB 3.2Å; A376-N380 PolarHBondContact O-N 3.35Å; A376-N380 VanDerWaalsContact O-N 3.12Å; A376-N380 PolarHBondContact O-ND2 3.09Å; N380-V383 PolarHBondContact O-N 2.95Å; N380-L384 WeakPolarHBondContact O-CB 3.21Å; N380-L384 PolarHBondContact O-N 3.28Å; N380-D408 WeakPolarHBondContact OD1-CB 3.33Å; N380-L409 HydrophobicContact CB-CB 4.14Å; N380-S619 PolarHBondContact ND2-O 3.07Å; N380-P623 WeakPolarHBondContact OD1-CG 3.3Å
381	L	90.1	Very high	84.4	Confident	84 Å²	84	53.9 Å²	53.9	44%	0.44	29%	0.292	S	S	.	.	H	α-helix	trans	-63.3	-45.4	173.4	-177.7	62.8	0	0	0	111.6	V377 V383 L384 V385 L409	V377-L381 WeakPolarHBondContact O-CB 3.44Å; V377-L381 PolarHBondContact O-N 3.31Å; L381-V383 VanDerWaalsContact C-N 3.31Å; L381-V383 PolarHBondContact O-N 3.12Å; L381-L384 PolarHBondContact O-N 3.45Å; L381-V385 HydrophobicContact CD1-CG2 4.29Å; L381-V385 HydrophobicContact CG-CG2 4.44Å; L381-V385 VanDerWaalsContact O-CG2 3.31Å; L381-V385 WeakPolarHBondContact O-CG2 3.47Å; L381-V385 PolarHBondContact O-N 2.03Å; L381-L409 HydrophobicContact CB-CD1 4.49Å
382	A	85.3	Confident	83.3	Confident	47 Å²	47	54.6 Å²	54.6	39%	0.388	29%	0.293	S	S	.	.	H	α-helix	trans	-60.6	-41.4	177.4	0	0	0	0	0	111.7	A378 G379 V385 V386	A378-A382 VanDerWaalsContact O-CB 3.24Å; A378-A382 WeakPolarHBondContact O-CB 3.28Å; A378-A382 PolarHBondContact O-N 3.46Å; G379-A382 PolarHBondContact O-N 3.13Å; A382-V385 PolarHBondContact O-N 3.33Å; A382-V386 WeakPolarHBondContact O-CB 3.38Å; A382-V386 VanDerWaalsContact O-CG2 3.23Å; A382-V386 WeakPolarHBondContact O-CG2 3.43Å; A382-V386 PolarHBondContact O-N 2.91Å
383	V	84.6	Confident	82.5	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.012	33%	0.331	C	S	.	.	H	α-helix	trans	-60.1	-49	174.7	170.6	0	0	0	0	111.1	G379 N380 L381 V385 V386 L387 A405 P623 T627 F633	G379-V383 VanDerWaalsContact O-CG2 3.3Å; G379-V383 WeakPolarHBondContact O-CG2 3.43Å; G379-V383 PolarHBondContact O-N 2.87Å; N380-V383 PolarHBondContact O-N 2.95Å; L381-V383 VanDerWaalsContact C-N 3.31Å; L381-V383 PolarHBondContact O-N 3.12Å; V383-V385 PolarHBondContact O-N 3.07Å; V383-V386 PolarHBondContact O-N 2.87Å; V383-L387 HydrophobicContact CG1-CD1 3.63Å; V383-L387 HydrophobicContact CG1-CG 4.27Å; V383-L387 WeakPolarHBondContact O-CB 3.28Å; V383-L387 VanDerWaalsContact O-CG 3.25Å; V383-L387 WeakPolarHBondContact O-CG 3.07Å; V383-L387 PolarHBondContact O-N 2.94Å; V383-A405 HydrophobicContact CB-CB 4.33Å; V383-A405 HydrophobicContact CG1-CB 3.83Å; V383-P623 HydrophobicContact CG2-CB 4.07Å; V383-T627 HydrophobicContact CG1-CG2 3.84Å; V383-T627 HydrophobicContact CG2-CG2 4.27Å; V383-T627 WeakPolarHBondContact CG2-OG1 3.27Å; V383-F633 HydrophobicContact CG2-CE2 4.43Å
384	L	87.3	Confident	81.8	Confident	33 Å²	33	68.4 Å²	68.4	17%	0.173	36%	0.357	C	S	.	.	H	α-helix	trans	-61.6	-45.5	-179.9	-169.5	67.4	0	0	0	111.4	N380 L381 L387 L388 C402	N380-L384 WeakPolarHBondContact O-CB 3.21Å; N380-L384 PolarHBondContact O-N 3.28Å; L381-L384 PolarHBondContact O-N 3.45Å; L384-L387 PolarHBondContact O-N 3.4Å; L384-L388 HydrophobicContact CD1-CD1 3.91Å; L384-L388 HydrophobicContact CD1-CG 4.25Å; L384-L388 HydrophobicContact CD2-CD1 4.47Å; L384-L388 HydrophobicContact CG-CD1 3.76Å; L384-L388 HydrophobicContact CG-CG 4.38Å; L384-L388 VanDerWaalsContact O-CB 3.3Å; L384-L388 WeakPolarHBondContact O-CB 3.47Å; L384-L388 WeakPolarHBondContact O-CG 3.24Å; L384-L388 PolarHBondContact O-N 3.13Å; L384-C402 HydrophobicContact CD1-CB 4.38Å
385	V	85.6	Confident	81.4	Confident	63 Å²	63	67.7 Å²	67.7	38%	0.382	35%	0.353	S	S	.	.	H	α-helix	trans	-61	-49.5	177.4	170.9	0	0	0	0	111.1	L381 A382 V383 L387 L388 V389	L381-V385 HydrophobicContact CD1-CG2 4.29Å; L381-V385 HydrophobicContact CG-CG2 4.44Å; L381-V385 VanDerWaalsContact O-CG2 3.31Å; L381-V385 WeakPolarHBondContact O-CG2 3.47Å; L381-V385 PolarHBondContact O-N 2.03Å; A382-V385 PolarHBondContact O-N 3.33Å; V383-V385 PolarHBondContact O-N 3.07Å; V385-L387 PolarHBondContact O-N 3.37Å; V385-L388 PolarHBondContact O-N 3.35Å; V385-V389 HydrophobicContact CG1-CG2 4.19Å; V385-V389 VanDerWaalsContact O-CB 3.24Å; V385-V389 WeakPolarHBondContact O-CB 3.16Å; V385-V389 WeakPolarHBondContact O-CG2 3.48Å; V385-V389 PolarHBondContact O-N 2.96Å
386	V	82.7	Confident	81.3	Confident	11 Å²	11	63.7 Å²	63.7	7%	0.067	34%	0.336	C	S	.	.	H	α-helix	trans	-63.3	-42.4	-178.7	171	0	0	0	0	111.2	A382 V383 S390 F633 D636 V637	A382-V386 WeakPolarHBondContact O-CB 3.38Å; A382-V386 VanDerWaalsContact O-CG2 3.23Å; A382-V386 WeakPolarHBondContact O-CG2 3.43Å; A382-V386 PolarHBondContact O-N 2.91Å; V383-V386 PolarHBondContact O-N 2.87Å; V386-S390 WeakPolarHBondContact O-CB 3.01Å; V386-S390 PolarHBondContact O-N 2.96Å; V386-F633 HydrophobicContact CB-CD2 4.41Å; V386-F633 HydrophobicContact CB-CE2 3.69Å; V386-F633 HydrophobicContact CB-CZ 4.33Å; V386-F633 HydrophobicContact CG1-CD2 3.81Å; V386-F633 HydrophobicContact CG1-CE2 3.58Å; V386-F633 HydrophobicContact CG1-CZ 4.4Å; V386-F633 HydrophobicContact CG2-CE2 3.95Å; V386-F633 HydrophobicContact CG2-CZ 4.08Å; V386-D636 HydrophobicContact CG1-CB 4.19Å; V386-V637 HydrophobicContact CG1-CG2 4.5Å; V386-V637 HydrophobicContact CG2-CG2 4.04Å
387	L	79	Confident	80.8	Confident	30 Å²	30	64.6 Å²	64.6	16%	0.157	34%	0.342	C	S	.	.	H	α-helix	trans	-72	-33.8	-178.6	-68.5	178.1	0	0	0	113	V383 L384 V385 T398 M401 C402	V383-L387 HydrophobicContact CG1-CD1 3.63Å; V383-L387 HydrophobicContact CG1-CG 4.27Å; V383-L387 WeakPolarHBondContact O-CB 3.28Å; V383-L387 VanDerWaalsContact O-CG 3.25Å; V383-L387 WeakPolarHBondContact O-CG 3.07Å; V383-L387 PolarHBondContact O-N 2.94Å; L384-L387 PolarHBondContact O-N 3.4Å; V385-L387 PolarHBondContact O-N 3.37Å; L387-T398 HydrophobicContact CD2-CG2 4.48Å; L387-M401 HydrophobicContact CD1-CB 4.25Å; L387-C402 VanDerWaalsContact CB-SG 3.58Å
388	L	81.3	Confident	80.4	Confident	118 Å²	118	64.8 Å²	64.8	62%	0.618	34%	0.344	S	S	*	.	H	α-helix	trans	-80.1	-34.2	177.9	-68.1	177	0	0	0	113	L384 V385	L384-L388 HydrophobicContact CD1-CD1 3.91Å; L384-L388 HydrophobicContact CD1-CG 4.25Å; L384-L388 HydrophobicContact CD2-CD1 4.47Å; L384-L388 HydrophobicContact CG-CD1 3.76Å; L384-L388 HydrophobicContact CG-CG 4.38Å; L384-L388 VanDerWaalsContact O-CB 3.3Å; L384-L388 WeakPolarHBondContact O-CB 3.47Å; L384-L388 WeakPolarHBondContact O-CG 3.24Å; L384-L388 PolarHBondContact O-N 3.13Å; V385-L388 PolarHBondContact O-N 3.35Å
389	V	80.9	Confident	80.3	Confident	76 Å²	76	64.6 Å²	64.6	46%	0.461	33%	0.333	S	S	.	.	H	α-helix	trans	-83.5	-25.8	-178.3	177.6	0	0	0	0	112.2	V385 R391 L640	V385-V389 HydrophobicContact CG1-CG2 4.19Å; V385-V389 VanDerWaalsContact O-CB 3.24Å; V385-V389 WeakPolarHBondContact O-CB 3.16Å; V385-V389 WeakPolarHBondContact O-CG2 3.48Å; V385-V389 PolarHBondContact O-N 2.96Å; V389-R391 PolarHBondContact O-N 3.33Å; V389-R391 VanDerWaalsContact O-N 3.12Å; V389-L640 HydrophobicContact CB-CD1 4.16Å; V389-L640 HydrophobicContact CG1-CD1 3.64Å
390	S	71.8	Confident	80.3	Confident	31 Å²	31	64.2 Å²	64.2	22%	0.217	33%	0.328	C	S	.	.	S	Bend	trans	-65.4	112.1	175.5	-173.8	0	0	0	0	110.4	V386 H392	V386-S390 WeakPolarHBondContact O-CB 3.01Å; V386-S390 PolarHBondContact O-N 2.96Å; S390-H392 PolarHBondContact O-N 3.5Å
391	R	60.4	Low	80.1	Confident	229 Å²	229	65.7 Å²	65.7	86%	0.864	34%	0.336	S	S	*	.			trans	-70.3	29.1	178.9	-61.8	-155.1	-167.1	-174.8	6	114.3	V389	V389-R391 PolarHBondContact O-N 3.33Å; V389-R391 VanDerWaalsContact O-N 3.12Å
392	H	65.6	Low	80	Confident	105 Å²	105	62.4 Å²	62.4	49%	0.486	32%	0.319	S	S	.	.	S	Bend	trans	-80.6	151.6	172.9	-78.1	6	0	0	0	110.5	S390 L394	S390-H392 PolarHBondContact O-N 3.5Å; H392-L394 PolarHBondContact O-N 2.97Å
393	K	68.8	Low	80.3	Confident	199 Å²	199	61 Å²	61	87%	0.865	31%	0.305	S	S	*	.			trans	-57.7	128.5	175.6	-68.9	-175.7	178	-177.8	0	109	T395	K393-T395 PolarHBondContact O-N 3.04Å
394	L	72.7	Confident	80.4	Confident	107 Å²	107	61.4 Å²	61.4	56%	0.56	31%	0.307	S	S	*	.			trans	-60.4	105.7	176.7	-73.5	168.2	0	0	0	109.8	H392	H392-L394 PolarHBondContact O-N 2.97Å
395	T	82.8	Confident	80.6	Confident	73 Å²	73	60 Å²	60	45%	0.448	30%	0.301	S	S	.	.			trans	-81.2	158.6	170.1	69.8	0	0	0	0	110	K393 S397 T398 F399	K393-T395 PolarHBondContact O-N 3.04Å; T395-S397 VanDerWaalsContact C-N 3.33Å; T395-S397 PolarHBondContact O-N 3.48Å; T395-T398 WeakPolarHBondContact CA-OG1 3.41Å; T395-T398 PolarHBondContact N-OG1 3.42Å; T395-T398 PolarHBondContact O-N 2.69Å; T395-T398 PolarHBondContact O-OG1 2.82Å; T395-T398 WeakPolarHBondContact OG1-CG2 3.23Å; T395-T398 PolarHBondContact OG1-N 3.23Å; T395-T398 PolarHBondContact OG1-OG1 3.19Å; T395-F399 PolarHBondContact O-N 3.32Å
396	I	84	Confident	80.9	Confident	29 Å²	29	60.2 Å²	60.2	15%	0.149	30%	0.297	C	S	.	.	H	α-helix	trans	-56.9	-48	178.4	-64	174.5	0	0	0	110.7	T398 F399 L400 E466 L481 L483 V486	I396-T398 PolarHBondContact O-N 3.01Å; I396-F399 WeakPolarHBondContact O-CB 3.34Å; I396-F399 PolarHBondContact O-N 3.16Å; I396-L400 HydrophobicContact CG2-CD1 4.25Å; I396-L400 PolarHBondContact O-N 3.34Å; I396-E466 HydrophobicContact CG2-CG 3.68Å; I396-L481 HydrophobicContact CD1-CB 4.29Å; I396-L481 VanDerWaalsContact CD1-O 3.29Å; I396-L481 WeakPolarHBondContact CD1-O 3.39Å; I396-L483 HydrophobicContact CG1-CB 4.47Å; I396-L483 HydrophobicContact CG1-CD1 4.33Å; I396-V486 HydrophobicContact CD1-CG2 4.46Å; I396-V486 HydrophobicContact CG2-CB 4.17Å; I396-V486 HydrophobicContact CG2-CG1 4.02Å; I396-V486 HydrophobicContact CG2-CG2 3.72Å
397	S	78.4	Confident	81.4	Confident	19 Å²	19	59.7 Å²	59.7	13%	0.133	29%	0.293	C	S	.	.	H	α-helix	trans	-66.3	-36.7	-179.4	-45.7	0	0	0	0	113	T395 F399 L400 M401 E466 R467	T395-S397 VanDerWaalsContact C-N 3.33Å; T395-S397 PolarHBondContact O-N 3.48Å; S397-F399 VanDerWaalsContact C-N 3.34Å; S397-L400 PolarHBondContact O-N 2.91Å; S397-M401 WeakPolarHBondContact O-CB 3.09Å; S397-M401 WeakPolarHBondContact O-CE 3.47Å; S397-M401 VanDerWaalsContact O-CG 3.29Å; S397-M401 WeakPolarHBondContact O-CG 3.37Å; S397-M401 PolarHBondContact O-N 2.83Å; S397-E466 PolarHBondContact OG-OE2 3.45Å; S397-R467 VanDerWaalsContact OG-CZ 3.29Å; S397-R467 PolarHBondContact OG-NH1 3.32Å; S397-R467 PolarHBondContact OG-NH2 3.07Å; S397-R467 VanDerWaalsContact OG-NH2 3.1Å
398	T	81.3	Confident	82	Confident	37 Å²	37	58.2 Å²	58.2	23%	0.227	29%	0.286	C	S	.	.	H	α-helix	trans	-67.2	-35.6	174.8	48.7	0	0	0	0	112.3	L387 T395 I396 M401 C402	L387-T398 HydrophobicContact CD2-CG2 4.48Å; T395-T398 WeakPolarHBondContact CA-OG1 3.41Å; T395-T398 PolarHBondContact N-OG1 3.42Å; T395-T398 PolarHBondContact O-N 2.69Å; T395-T398 PolarHBondContact O-OG1 2.82Å; T395-T398 WeakPolarHBondContact OG1-CG2 3.23Å; T395-T398 PolarHBondContact OG1-N 3.23Å; T395-T398 PolarHBondContact OG1-OG1 3.19Å; I396-T398 PolarHBondContact O-N 3.01Å; T398-M401 HydrophobicContact CG2-CE 3.84Å; T398-M401 PolarHBondContact O-N 2.99Å; T398-C402 PolarHBondContact O-N 3.45Å; T398-C402 PolarHBondContact O-SG 2.86Å
399	F	87.9	Confident	82.5	Confident	52 Å²	52	53.8 Å²	53.8	23%	0.228	26%	0.263	C	S	.	.	H	α-helix	trans	-64.5	-45	174.5	172.6	-102.7	0	0	0	111.9	T395 I396 S397 C402 N403 L483 V486 A487 M490	T395-F399 PolarHBondContact O-N 3.32Å; I396-F399 WeakPolarHBondContact O-CB 3.34Å; I396-F399 PolarHBondContact O-N 3.16Å; S397-F399 VanDerWaalsContact C-N 3.34Å; F399-C402 WeakPolarHBondContact O-CB 3.01Å; F399-C402 PolarHBondContact O-N 3.48Å; F399-N403 PolarHBondContact O-N 3.03Å; F399-N403 PolarHBondContact O-ND2 2.94Å; F399-L483 HydrophobicContact CB-CD1 3.98Å; F399-L483 HydrophobicContact CD1-CD1 4.11Å; F399-L483 HydrophobicContact CG-CD1 4.01Å; F399-V486 HydrophobicContact CD1-CG1 4.4Å; F399-A487 HydrophobicContact CE1-CB 4.44Å; F399-A487 HydrophobicContact CZ-CB 4.34Å; F399-M490 HydrophobicContact CE1-CB 4.14Å; F399-M490 HydrophobicContact CE1-CG 3.77Å; F399-M490 HydrophobicContact CZ-CB 4.44Å; F399-M490 HydrophobicContact CZ-CG 4.5Å
400	L	87.4	Confident	83.1	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-65.2	-38.7	176.3	-67.8	173.5	0	0	0	112.2	I396 S397 C402 N403 L404 T459 V462 I463 E466 V486 M490	I396-L400 HydrophobicContact CG2-CD1 4.25Å; I396-L400 PolarHBondContact O-N 3.34Å; S397-L400 PolarHBondContact O-N 2.91Å; L400-C402 VanDerWaalsContact C-N 3.33Å; L400-C402 PolarHBondContact O-N 3.37Å; L400-N403 PolarHBondContact O-N 2.83Å; L400-L404 PolarHBondContact O-N 3.46Å; L400-T459 WeakPolarHBondContact O-CG2 3.43Å; L400-V462 HydrophobicContact CD1-CG1 4.12Å; L400-V462 HydrophobicContact CD2-CB 4.42Å; L400-V462 HydrophobicContact CD2-CG1 3.72Å; L400-I463 HydrophobicContact CB-CD1 4.21Å; L400-I463 HydrophobicContact CB-CG1 3.69Å; L400-I463 HydrophobicContact CD1-CG1 3.91Å; L400-I463 HydrophobicContact CG-CG1 4.33Å; L400-E466 HydrophobicContact CD1-CB 4.17Å; L400-E466 HydrophobicContact CD1-CG 4.28Å; L400-V486 HydrophobicContact CD1-CG1 4.14Å; L400-V486 HydrophobicContact CD2-CG1 3.68Å; L400-V486 HydrophobicContact CG-CG1 4Å; L400-M490 HydrophobicContact CD2-CG 3.75Å; L400-M490 HydrophobicContact CD2-SD 3.59Å; L400-M490 VanDerWaalsContact CD2-SD 3.59Å
401	M	84.4	Confident	83.9	Confident	34 Å²	34	49.5 Å²	49.5	17%	0.167	24%	0.235	C	C	.	.	H	α-helix	trans	-63.6	-35.1	174.1	-73.4	-175.7	-64	0	0	112.8	L387 S397 T398 L404 A405 Y626 T627	L387-M401 HydrophobicContact CD1-CB 4.25Å; S397-M401 WeakPolarHBondContact O-CB 3.09Å; S397-M401 WeakPolarHBondContact O-CE 3.47Å; S397-M401 VanDerWaalsContact O-CG 3.29Å; S397-M401 WeakPolarHBondContact O-CG 3.37Å; S397-M401 PolarHBondContact O-N 2.83Å; T398-M401 HydrophobicContact CG2-CE 3.84Å; T398-M401 PolarHBondContact O-N 2.99Å; M401-L404 PolarHBondContact O-N 3.42Å; M401-A405 WeakPolarHBondContact O-CB 3.33Å; M401-A405 PolarHBondContact O-N 3.46Å; M401-Y626 HydrophobicContact SD-CD1 4.02Å; M401-T627 HydrophobicContact SD-CG2 4.15Å
402	C	87.7	Confident	85.4	Confident	15 Å²	15	38.6 Å²	38.6	10%	0.101	19%	0.194	C	C	.	.	H	α-helix	trans	-64.2	-41.1	173.1	-69.7	0	0	0	0	112.1	L384 L387 T398 F399 L400 A405 F406	L384-C402 HydrophobicContact CD1-CB 4.38Å; L387-C402 VanDerWaalsContact CB-SG 3.58Å; T398-C402 PolarHBondContact O-N 3.45Å; T398-C402 PolarHBondContact O-SG 2.86Å; F399-C402 WeakPolarHBondContact O-CB 3.01Å; F399-C402 PolarHBondContact O-N 3.48Å; L400-C402 VanDerWaalsContact C-N 3.33Å; L400-C402 PolarHBondContact O-N 3.37Å; C402-A405 PolarHBondContact O-N 3.26Å; C402-F406 WeakPolarHBondContact O-CB 2.94Å; C402-F406 PolarHBondContact O-N 3.38Å
403	N	91.3	Very high	86.7	Confident	17 Å²	17	36.7 Å²	36.7	9%	0.091	19%	0.187	C	C	.	.	H	α-helix	trans	-65.6	-40.6	177.3	-75.7	-89.7	0	0	0	111.5	F399 L400 F406 A407 T459 M490 W494	F399-N403 PolarHBondContact O-N 3.03Å; F399-N403 PolarHBondContact O-ND2 2.94Å; L400-N403 PolarHBondContact O-N 2.83Å; N403-F406 PolarHBondContact O-N 3.19Å; N403-A407 PolarHBondContact O-N 3.04Å; N403-T459 HydrophobicContact CB-CG2 4.16Å; N403-M490 HydrophobicContact CB-CE 3.82Å; N403-W494 PolarHBondContact OD1-NE1 3.48Å
404	L	88.1	Confident	87.8	Confident	10 Å²	10	27.5 Å²	27.5	5%	0.052	15%	0.147	C	C	.	.	H	α-helix	trans	-63.7	-47.4	175.7	-173.9	64.5	0	0	0	111.5	L400 M401 F406 A407 D408 S456 T459 L460 I463	L400-L404 PolarHBondContact O-N 3.46Å; M401-L404 PolarHBondContact O-N 3.42Å; L404-F406 VanDerWaalsContact C-N 3.25Å; L404-F406 PolarHBondContact O-N 3.49Å; L404-A407 PolarHBondContact O-N 3.5Å; L404-D408 PolarHBondContact O-N 3.07Å; L404-S456 WeakPolarHBondContact CD1-OG 3.25Å; L404-T459 HydrophobicContact CB-CG2 3.96Å; L404-L460 HydrophobicContact CD1-CD2 3.86Å; L404-L460 HydrophobicContact CD1-CG 4.05Å; L404-L460 HydrophobicContact CD2-CD2 3.77Å; L404-L460 HydrophobicContact CG-CD2 4.5Å; L404-I463 HydrophobicContact CD2-CD1 4.25Å
405	A	90.1	Very high	88.6	Confident	5 Å²	5	23 Å²	23	4%	0.041	12%	0.123	C	C	.	.	H	α-helix	trans	-62.3	-33.2	177	0	0	0	0	0	112.5	V383 M401 C402 L409	V383-A405 HydrophobicContact CB-CB 4.33Å; V383-A405 HydrophobicContact CG1-CB 3.83Å; M401-A405 WeakPolarHBondContact O-CB 3.33Å; M401-A405 PolarHBondContact O-N 3.46Å; C402-A405 PolarHBondContact O-N 3.26Å; A405-L409 VanDerWaalsContact O-CB 3.28Å; A405-L409 WeakPolarHBondContact O-CB 3.17Å; A405-L409 PolarHBondContact O-N 3.24Å
406	F	92.9	Very high	89	Confident	66 Å²	66	23.5 Å²	23.5	29%	0.289	12%	0.122	S	C	.	.	H	α-helix	trans	-67.2	-46.7	173.4	174.3	-94.2	0	0	0	112	C402 N403 L404 D408 L409 C410 F451 L455 W494	C402-F406 WeakPolarHBondContact O-CB 2.94Å; C402-F406 PolarHBondContact O-N 3.38Å; N403-F406 PolarHBondContact O-N 3.19Å; L404-F406 VanDerWaalsContact C-N 3.25Å; L404-F406 PolarHBondContact O-N 3.49Å; F406-D408 PolarHBondContact O-N 2.91Å; F406-L409 WeakPolarHBondContact O-CB 3.47Å; F406-L409 PolarHBondContact O-N 2.88Å; F406-C410 PolarHBondContact O-N 3.3Å; F406-F451 AromaticContact CE1-CE1 3.88Å; F406-F451 HydrophobicContact CE1-CE1 3.88Å; F406-F451 HydrophobicContact CE1-CZ 4.21Å; F406-L455 HydrophobicContact CD1-CD2 4.03Å; F406-L455 HydrophobicContact CE1-CD2 4.28Å; F406-W494 AromaticContact CD1-CH2 3.55Å; F406-W494 HydrophobicContact CD1-CH2 3.55Å; F406-W494 AromaticContact CD1-CZ2 3.67Å; F406-W494 HydrophobicContact CD1-CZ2 3.67Å; F406-W494 AromaticContact CE1-CH2 3.07Å; F406-W494 HydrophobicContact CE1-CH2 3.07Å; F406-W494 AromaticContact CE1-CZ2 3.71Å; F406-W494 HydrophobicContact CE1-CZ2 3.71Å; F406-W494 AromaticContact CE1-CZ3 3.82Å; F406-W494 HydrophobicContact CE1-CZ3 3.82Å; F406-W494 HydrophobicContact CG-CH2 4.44Å; F406-W494 AromaticContact CZ-CH2 3.65Å; F406-W494 HydrophobicContact CZ-CH2 3.65Å; F406-W494 HydrophobicContact CZ-CZ3 4.31Å
407	A	92.7	Very high	89.4	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.2	-47.2	176.1	0	0	0	0	0	111.3	N403 L404 L409 C410 M411 A452 L455	N403-A407 PolarHBondContact O-N 3.04Å; L404-A407 PolarHBondContact O-N 3.5Å; A407-L409 VanDerWaalsContact C-N 3.3Å; A407-L409 PolarHBondContact O-N 3.39Å; A407-C410 WeakPolarHBondContact O-CB 3.39Å; A407-C410 PolarHBondContact O-N 3.26Å; A407-C410 VanDerWaalsContact O-N 3.1Å; A407-M411 PolarHBondContact O-N 3.1Å; A407-A452 VanDerWaalsContact O-CB 3.32Å; A407-A452 WeakPolarHBondContact O-CB 3.19Å; A407-L455 HydrophobicContact CB-CB 4.16Å; A407-L455 HydrophobicContact CB-CD2 4.03Å; A407-L455 HydrophobicContact CB-CG 4.03Å
408	D	90.8	Very high	89.9	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66.7	-30.1	178.7	-71.4	-28.7	0	0	0	113	N380 L404 F406 M411 G412 S619 N622	N380-D408 WeakPolarHBondContact OD1-CB 3.33Å; L404-D408 PolarHBondContact O-N 3.07Å; F406-D408 PolarHBondContact O-N 2.91Å; D408-M411 PolarHBondContact O-N 2.76Å; D408-G412 PolarHBondContact O-N 3.45Å; D408-S619 WeakPolarHBondContact OD1-CA 3.3Å; D408-S619 VanDerWaalsContact OD1-CB 3.22Å; D408-S619 WeakPolarHBondContact OD1-CB 3.48Å; D408-S619 PolarHBondContact OD1-OG 3Å; D408-N622 VanDerWaalsContact OD2-CB 3.23Å; D408-N622 WeakPolarHBondContact OD2-CB 3.24Å; D408-N622 PolarHBondContact OD2-ND2 3.45Å
409	L	92.1	Very high	90.2	Very high	25 Å²	25	21.7 Å²	21.7	13%	0.131	11%	0.109	C	C	.	.	H	α-helix	trans	-64.7	-43.3	170.2	179.9	64.6	0	0	0	111.3	V377 N380 L381 A405 F406 A407 M411 G412 L413	V377-L409 HydrophobicContact CB-CD1 4.48Å; V377-L409 HydrophobicContact CG1-CD1 4.06Å; N380-L409 HydrophobicContact CB-CB 4.14Å; L381-L409 HydrophobicContact CB-CD1 4.49Å; A405-L409 VanDerWaalsContact O-CB 3.28Å; A405-L409 WeakPolarHBondContact O-CB 3.17Å; A405-L409 PolarHBondContact O-N 3.24Å; F406-L409 WeakPolarHBondContact O-CB 3.47Å; F406-L409 PolarHBondContact O-N 2.88Å; A407-L409 VanDerWaalsContact C-N 3.3Å; A407-L409 PolarHBondContact O-N 3.39Å; L409-M411 VanDerWaalsContact C-N 3.32Å; L409-M411 PolarHBondContact O-N 3.22Å; L409-G412 PolarHBondContact O-N 3.49Å; L409-G412 VanDerWaalsContact O-N 3.13Å; L409-L413 WeakPolarHBondContact O-CG 3.31Å; L409-L413 PolarHBondContact O-N 2.79Å
410	C	93.3	Very high	90.3	Very high	11 Å²	11	24.5 Å²	24.5	7%	0.074	12%	0.122	C	C	.	.	H	α-helix	trans	-61.2	-39.7	174.6	-70.6	0	0	0	0	112	F406 A407 L413 Y414 A452	F406-C410 PolarHBondContact O-N 3.3Å; A407-C410 WeakPolarHBondContact O-CB 3.39Å; A407-C410 PolarHBondContact O-N 3.26Å; A407-C410 VanDerWaalsContact O-N 3.1Å; C410-L413 PolarHBondContact O-N 3.35Å; C410-Y414 PolarHBondContact O-N 3.19Å; C410-A452 HydrophobicContact CB-CB 3.59Å
411	M	90.3	Very high	90.3	Very high	6 Å²	6	26.9 Å²	26.9	3%	0.03	13%	0.134	C	C	.	.	H	α-helix	trans	-61.5	-41.8	170.9	-76.5	-43	-59.6	0	0	112.4	A407 D408 L409 L413 Y414 L415 T449 A452 Y615	A407-M411 PolarHBondContact O-N 3.1Å; D408-M411 PolarHBondContact O-N 2.76Å; L409-M411 VanDerWaalsContact C-N 3.32Å; L409-M411 PolarHBondContact O-N 3.22Å; M411-L413 PolarHBondContact O-N 3.09Å; M411-Y414 HydrophobicContact CE-CD1 3.52Å; M411-Y414 HydrophobicContact CE-CE1 3.93Å; M411-Y414 HydrophobicContact CE-CG 4.37Å; M411-Y414 WeakPolarHBondContact O-CB 3.36Å; M411-Y414 PolarHBondContact O-N 2.99Å; M411-L415 WeakPolarHBondContact O-CG 3.2Å; M411-L415 PolarHBondContact O-N 2.8Å; M411-L415 VanDerWaalsContact O-N 3.09Å; M411-T449 WeakPolarHBondContact CE-OG1 3.38Å; M411-T449 VanDerWaalsContact SD-O 3.35Å; M411-A452 HydrophobicContact CB-CB 4.45Å; M411-A452 HydrophobicContact CG-CB 3.61Å; M411-A452 HydrophobicContact SD-CB 3.39Å; M411-A452 WeakPolarHBondContact SD-CB 3.42Å; M411-Y615 HydrophobicContact CE-CD1 4.13Å; M411-Y615 HydrophobicContact CE-CE1 3.44Å; M411-Y615 VanDerWaalsContact CE-CE1 3.44Å
412	G	91.1	Very high	90.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.7	-41	174.9	0	0	0	0	0	113.1	D408 L409 L415 M416	D408-G412 PolarHBondContact O-N 3.45Å; L409-G412 PolarHBondContact O-N 3.49Å; L409-G412 VanDerWaalsContact O-N 3.13Å; G412-L415 PolarHBondContact O-N 3.31Å; G412-M416 PolarHBondContact O-N 3.5Å
413	L	92.8	Very high	90.4	Very high	65 Å²	65	30 Å²	30	34%	0.34	15%	0.145	S	C	.	.	H	α-helix	trans	-65.5	-37.4	175.7	-67.5	175.8	0	0	0	112.4	L409 C410 M411 M416 L417	L409-L413 WeakPolarHBondContact O-CG 3.31Å; L409-L413 PolarHBondContact O-N 2.79Å; C410-L413 PolarHBondContact O-N 3.35Å; M411-L413 PolarHBondContact O-N 3.09Å; L413-M416 HydrophobicContact CD2-CE 3.62Å; L413-M416 WeakPolarHBondContact O-CB 3.38Å; L413-M416 PolarHBondContact O-N 3.11Å; L413-L417 PolarHBondContact O-N 3.33Å
414	Y	92.3	Very high	90.2	Very high	5 Å²	5	34.1 Å²	34.1	2%	0.02	17%	0.166	C	C	.	.	H	α-helix	trans	-59.7	-49.1	172.2	152.8	-101.6	0	0	0	111.7	C410 M411 M416 L417 I418 A445 T449 I516 Y615	C410-Y414 PolarHBondContact O-N 3.19Å; M411-Y414 HydrophobicContact CE-CD1 3.52Å; M411-Y414 HydrophobicContact CE-CE1 3.93Å; M411-Y414 HydrophobicContact CE-CG 4.37Å; M411-Y414 WeakPolarHBondContact O-CB 3.36Å; M411-Y414 PolarHBondContact O-N 2.99Å; Y414-M416 VanDerWaalsContact C-N 3.28Å; Y414-M416 PolarHBondContact O-N 3.37Å; Y414-L417 WeakPolarHBondContact O-CB 3.35Å; Y414-L417 PolarHBondContact O-N 3.45Å; Y414-L417 VanDerWaalsContact O-N 3.13Å; Y414-I418 HydrophobicContact CD2-CG1 4.23Å; Y414-I418 HydrophobicContact CE2-CD1 4.08Å; Y414-I418 HydrophobicContact CE2-CG1 3.75Å; Y414-I418 PolarHBondContact O-N 3.03Å; Y414-I418 VanDerWaalsContact O-N 3.12Å; Y414-A445 HydrophobicContact CD2-CB 4.01Å; Y414-A445 WeakPolarHBondContact CD2-O 3.18Å; Y414-A445 HydrophobicContact CE2-CB 4.24Å; Y414-T449 HydrophobicContact CD2-CG2 4.37Å; Y414-T449 HydrophobicContact CE2-CG2 4.15Å; Y414-I516 WeakPolarHBondContact OH-CG2 3.47Å; Y414-I516 PolarHBondContact OH-O 3.39Å; Y414-Y615 HydrophobicContact CE1-CE1 4.38Å
415	L	89.4	Confident	89.9	Confident	12 Å²	12	34 Å²	34	6%	0.063	17%	0.166	C	C	.	.	H	α-helix	trans	-63.3	-36.7	178.4	-63.9	170.1	0	0	0	112.2	I372 T373 M411 G412 L417 I418 A419 P616	I372-L415 HydrophobicContact CG2-CD1 4.07Å; T373-L415 HydrophobicContact CG2-CB 4.47Å; T373-L415 WeakPolarHBondContact OG1-CB 3.39Å; M411-L415 WeakPolarHBondContact O-CG 3.2Å; M411-L415 PolarHBondContact O-N 2.8Å; M411-L415 VanDerWaalsContact O-N 3.09Å; G412-L415 PolarHBondContact O-N 3.31Å; L415-L417 VanDerWaalsContact C-N 3.31Å; L415-L417 PolarHBondContact O-N 3.48Å; L415-I418 PolarHBondContact O-N 2.92Å; L415-A419 WeakPolarHBondContact O-CB 3.47Å; L415-A419 PolarHBondContact O-N 2.87Å; L415-P616 HydrophobicContact CD1-CB 3.28Å; L415-P616 HydrophobicContact CD1-CG 4.09Å; L415-P616 HydrophobicContact CD2-CB 4.01Å; L415-P616 HydrophobicContact CD2-CG 4.22Å; L415-P616 HydrophobicContact CG-CB 4.18Å
416	M	91.1	Very high	89.3	Confident	84 Å²	84	38.9 Å²	38.9	41%	0.414	18%	0.184	S	C	.	.	H	α-helix	trans	-60.7	-41.1	174.6	-171.9	178.2	67.1	0	0	111.7	T373 G412 L413 Y414 A419 F420	T373-M416 HydrophobicContact CG2-CB 3.59Å; T373-M416 HydrophobicContact CG2-CG 4.2Å; G412-M416 PolarHBondContact O-N 3.5Å; L413-M416 HydrophobicContact CD2-CE 3.62Å; L413-M416 WeakPolarHBondContact O-CB 3.38Å; L413-M416 PolarHBondContact O-N 3.11Å; Y414-M416 VanDerWaalsContact C-N 3.28Å; Y414-M416 PolarHBondContact O-N 3.37Å; M416-A419 PolarHBondContact O-N 3.26Å; M416-F420 VanDerWaalsContact O-CB 3.29Å; M416-F420 WeakPolarHBondContact O-CB 3.41Å; M416-F420 PolarHBondContact O-N 3.05Å
417	L	91.8	Very high	88.3	Confident	42 Å²	42	42.8 Å²	42.8	22%	0.22	20%	0.203	C	C	.	.	H	α-helix	trans	-64.7	-42.4	176.9	-176	64.7	0	0	0	111.7	L413 Y414 L415 F420 M421 W436 A445	L413-L417 PolarHBondContact O-N 3.33Å; Y414-L417 WeakPolarHBondContact O-CB 3.35Å; Y414-L417 PolarHBondContact O-N 3.45Å; Y414-L417 VanDerWaalsContact O-N 3.13Å; L415-L417 VanDerWaalsContact C-N 3.31Å; L415-L417 PolarHBondContact O-N 3.48Å; L417-F420 PolarHBondContact O-N 2.85Å; L417-M421 WeakPolarHBondContact O-CG 3.42Å; L417-M421 PolarHBondContact O-N 3.05Å; L417-W436 HydrophobicContact CD2-CH2 4.06Å; L417-W436 HydrophobicContact CG-CH2 3.91Å; L417-W436 HydrophobicContact CG-CZ3 4.5Å; L417-A445 HydrophobicContact CD2-CB 3.72Å
418	I	88.9	Confident	87.4	Confident	6 Å²	6	47.6 Å²	47.6	3%	0.031	23%	0.225	C	C	.	.	H	α-helix	trans	-63.6	-46.3	175	-62.4	-61.2	0	0	0	111.2	L359 L360 Y414 L415 F420 M421 D422 W436 A445	L359-I418 HydrophobicContact CD2-CG2 4.01Å; L359-I418 HydrophobicContact CG-CG2 4.42Å; L360-I418 HydrophobicContact CD2-CG2 4.23Å; Y414-I418 HydrophobicContact CD2-CG1 4.23Å; Y414-I418 HydrophobicContact CE2-CD1 4.08Å; Y414-I418 HydrophobicContact CE2-CG1 3.75Å; Y414-I418 PolarHBondContact O-N 3.03Å; Y414-I418 VanDerWaalsContact O-N 3.12Å; L415-I418 PolarHBondContact O-N 2.92Å; I418-F420 VanDerWaalsContact C-N 3.33Å; I418-F420 PolarHBondContact O-N 3.33Å; I418-M421 PolarHBondContact O-N 3.28Å; I418-D422 PolarHBondContact O-N 3.34Å; I418-W436 HydrophobicContact CD1-CZ2 3.81Å; I418-A445 HydrophobicContact CD1-CB 4.5Å
419	A	88.8	Confident	86.8	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.5	-37.3	179.7	0	0	0	0	0	112.4	T369 W370 L415 M416 F423	T369-A419 HydrophobicContact CG2-CB 4.3Å; W370-A419 HydrophobicContact CD2-CB 4.22Å; W370-A419 HydrophobicContact CH2-CB 4.41Å; W370-A419 HydrophobicContact CZ2-CB 3.92Å; L415-A419 WeakPolarHBondContact O-CB 3.47Å; L415-A419 PolarHBondContact O-N 2.87Å; M416-A419 PolarHBondContact O-N 3.26Å; A419-F423 WeakPolarHBondContact O-CB 3.32Å; A419-F423 PolarHBondContact O-N 2.97Å; A419-F423 VanDerWaalsContact O-N 3.11Å
420	F	89.6	Confident	86.1	Confident	110 Å²	110	49.9 Å²	49.9	48%	0.482	23%	0.233	S	C	.	.	H	α-helix	trans	-64.8	-44.4	174.2	177.8	-98.8	0	0	0	111.8	M416 L417 I418 F423 N424	M416-F420 VanDerWaalsContact O-CB 3.29Å; M416-F420 WeakPolarHBondContact O-CB 3.41Å; M416-F420 PolarHBondContact O-N 3.05Å; L417-F420 PolarHBondContact O-N 2.85Å; I418-F420 VanDerWaalsContact C-N 3.33Å; I418-F420 PolarHBondContact O-N 3.33Å; F420-F423 WeakPolarHBondContact O-CB 3.49Å; F420-F423 PolarHBondContact O-N 3.42Å; F420-N424 PolarHBondContact O-N 2.99Å
421	M	87.7	Confident	85.5	Confident	52 Å²	52	50.8 Å²	50.8	26%	0.256	24%	0.236	S	C	.	.	H	α-helix	trans	-67.7	-41.8	178.8	-72.9	-65.4	176.9	0	0	112.8	L359 L417 I418 F423 N424 S425 W436	L359-M421 HydrophobicContact CD2-CB 4.2Å; L417-M421 WeakPolarHBondContact O-CG 3.42Å; L417-M421 PolarHBondContact O-N 3.05Å; I418-M421 PolarHBondContact O-N 3.28Å; M421-F423 PolarHBondContact O-N 2.83Å; M421-N424 PolarHBondContact O-N 2.78Å; M421-N424 VanDerWaalsContact O-N 3.15Å; M421-S425 WeakPolarHBondContact O-CB 3.3Å; M421-S425 PolarHBondContact O-N 2.86Å; M421-S425 PolarHBondContact O-OG 2.96Å; M421-W436 HydrophobicContact CB-CD2 4.49Å; M421-W436 HydrophobicContact CB-CE3 4.36Å; M421-W436 HydrophobicContact CB-CZ3 4.41Å; M421-W436 HydrophobicContact CE-CE3 3.84Å; M421-W436 HydrophobicContact CE-CZ3 3.6Å; M421-W436 HydrophobicContact CG-CD2 4.15Å; M421-W436 HydrophobicContact CG-CE3 3.56Å; M421-W436 HydrophobicContact CG-CH2 3.78Å; M421-W436 HydrophobicContact CG-CZ2 4.32Å; M421-W436 HydrophobicContact CG-CZ3 3.37Å; M421-W436 HydrophobicContact SD-CE3 3.77Å; M421-W436 HydrophobicContact SD-CZ3 3.93Å
422	D	87	Confident	85.2	Confident	0 Å²	0	54 Å²	54	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59.9	-35	172.7	177.5	81.9	0	0	0	111.8	L359 L360 R366 I418 R426	L359-D422 HydrophobicContact CB-CB 4.17Å; L359-D422 HydrophobicContact CD2-CB 4.11Å; L360-D422 HydrophobicContact CD1-CB 3.89Å; L360-D422 HydrophobicContact CG-CB 4.04Å; L360-D422 PolarHBondContact N-OD1 3.21Å; R366-D422 WeakPolarHBondContact CD-OD2 3.36Å; R366-D422 WeakPolarHBondContact CG-OD2 3.47Å; R366-D422 IonicContact CZ-OD1 3.61Å; R366-D422 IonicContact CZ-OD2 3.9Å; R366-D422 IonicContact NE-OD1 3.34Å; R366-D422 PolarHBondContact NE-OD1 3.07Å; R366-D422 IonicContact NE-OD2 2.83Å; R366-D422 PolarHBondContact NE-OD2 3.1Å; R366-D422 IonicContact NH2-OD1 2.77Å; R366-D422 PolarHBondContact NH2-OD1 3.43Å; R366-D422 IonicContact NH2-OD2 2.66Å; I418-D422 PolarHBondContact O-N 3.34Å; D422-R426 VanDerWaalsContact O-CG 3.28Å; D422-R426 WeakPolarHBondContact O-CG 3.3Å
423	F	86.8	Confident	84.7	Confident	115 Å²	115	54.1 Å²	54.1	50%	0.504	25%	0.252	S	S	.	.	H	α-helix	trans	-66.3	-42	174.6	-177.9	-90.8	0	0	0	112.6	A419 F420 M421 R426	A419-F423 WeakPolarHBondContact O-CB 3.32Å; A419-F423 PolarHBondContact O-N 2.97Å; A419-F423 VanDerWaalsContact O-N 3.11Å; F420-F423 WeakPolarHBondContact O-CB 3.49Å; F420-F423 PolarHBondContact O-N 3.42Å; M421-F423 PolarHBondContact O-N 2.83Å; F423-R426 VanDerWaalsContact CD2-NH2 3.32Å; F423-R426 WeakPolarHBondContact O-CG 3.45Å
424	N	86.6	Confident	84.1	Confident	102 Å²	102	51.2 Å²	51.2	55%	0.545	24%	0.237	S	C	.	.	H	α-helix	trans	-74.5	-35.5	-177.7	-169.9	62.5	0	0	0	112.9	F420 M421 R426	F420-N424 PolarHBondContact O-N 2.99Å; M421-N424 PolarHBondContact O-N 2.78Å; M421-N424 VanDerWaalsContact O-N 3.15Å; N424-R426 VanDerWaalsContact C-N 3.33Å; N424-R426 PolarHBondContact O-N 3.4Å
425	S	82.2	Confident	83.8	Confident	7 Å²	7	54 Å²	54	5%	0.049	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	20.3	-174.9	70	0	0	0	0	114	M421 H427 E428 Y429	M421-S425 WeakPolarHBondContact O-CB 3.3Å; M421-S425 PolarHBondContact O-N 2.86Å; M421-S425 PolarHBondContact O-OG 2.96Å; S425-H427 PolarHBondContact O-N 3.09Å; S425-E428 CarbonylContact O-C 3.42Å; S425-E428 PolarHBondContact O-N 3.31Å; S425-Y429 PolarHBondContact O-N 3.01Å; S425-Y429 VanDerWaalsContact O-N 3.11Å; S425-Y429 WeakPolarHBondContact OG-CD2 3.46Å
426	R	77.1	Confident	83.7	Confident	108 Å²	108	54.2 Å²	54.2	41%	0.408	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	131.6	-173.5	-77.1	179.6	-178.5	-154.7	1.1	111.3	D422 F423 N424 E428	D422-R426 VanDerWaalsContact O-CG 3.28Å; D422-R426 WeakPolarHBondContact O-CG 3.3Å; F423-R426 VanDerWaalsContact CD2-NH2 3.32Å; F423-R426 WeakPolarHBondContact O-CG 3.45Å; N424-R426 VanDerWaalsContact C-N 3.33Å; N424-R426 PolarHBondContact O-N 3.4Å; R426-E428 PolarHBondContact O-N 3.22Å
427	H	71.4	Confident	83.4	Confident	149 Å²	149	51.5 Å²	51.5	69%	0.69	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.1	-10.2	176.6	-53.2	-60.2	0	0	0	116.2	S425	S425-H427 PolarHBondContact O-N 3.09Å
428	E	75	Confident	83	Confident	101 Å²	101	53.4 Å²	53.4	47%	0.472	26%	0.257	S	S	.	.			trans	-129.3	32	179.9	-63.1	-175.6	174.7	0	0	111.5	S425 R426 Y430 N431 H432	S425-E428 CarbonylContact O-C 3.42Å; S425-E428 PolarHBondContact O-N 3.31Å; R426-E428 PolarHBondContact O-N 3.22Å; E428-Y430 HydrophobicContact CB-CE1 4.36Å; E428-Y430 HydrophobicContact CG-CE1 4.46Å; E428-Y430 PolarHBondContact O-N 3.06Å; E428-N431 PolarHBondContact O-N 2.89Å; E428-H432 PolarHBondContact O-ND1 3.27Å
429	Y	77.6	Confident	82.8	Confident	20 Å²	20	53.8 Å²	53.8	8%	0.078	26%	0.263	C	S	.	.	H	α-helix	trans	-57.8	-33.5	179.4	-177	-112	0	0	0	111.6	L359 S425 N431 H432 A433 S515	L359-Y429 HydrophobicContact CB-CD2 4.33Å; L359-Y429 HydrophobicContact CB-CE2 4.1Å; L359-Y429 HydrophobicContact CD1-CE2 4.35Å; S425-Y429 PolarHBondContact O-N 3.01Å; S425-Y429 VanDerWaalsContact O-N 3.11Å; S425-Y429 WeakPolarHBondContact OG-CD2 3.46Å; Y429-N431 VanDerWaalsContact C-N 3.28Å; Y429-N431 PolarHBondContact O-N 2.66Å; Y429-H432 CarbonylContact O-C 3.39Å; Y429-H432 PolarHBondContact O-N 2.98Å; Y429-A433 HydrophobicContact CD1-CB 4.04Å; Y429-A433 HydrophobicContact CE1-CB 3.65Å; Y429-A433 HydrophobicContact CE2-CB 4.27Å; Y429-A433 HydrophobicContact CG-CB 4.48Å; Y429-A433 WeakPolarHBondContact O-CA 3.43Å; Y429-A433 WeakPolarHBondContact O-CB 3.42Å; Y429-A433 PolarHBondContact O-N 2.84Å; Y429-S515 WeakPolarHBondContact OH-CB 3.39Å
430	Y	77	Confident	82.8	Confident	53 Å²	53	58.9 Å²	58.9	21%	0.208	30%	0.296	C	S	.	.	H	α-helix	trans	-57	-35.7	179.6	64.4	-91.1	0	0	0	114.2	S283 A287 E428	S283-Y430 WeakPolarHBondContact O-CB 3.48Å; A287-Y430 HydrophobicContact CB-CD1 4.2Å; A287-Y430 HydrophobicContact CB-CD2 3.53Å; A287-Y430 HydrophobicContact CB-CE1 4.43Å; A287-Y430 HydrophobicContact CB-CE2 3.77Å; A287-Y430 HydrophobicContact CB-CG 3.77Å; E428-Y430 HydrophobicContact CB-CE1 4.36Å; E428-Y430 HydrophobicContact CG-CE1 4.46Å; E428-Y430 PolarHBondContact O-N 3.06Å
431	N	82.1	Confident	82.8	Confident	29 Å²	29	54.5 Å²	54.5	16%	0.155	28%	0.282	C	S	.	.	H	α-helix	trans	-78.8	-26.9	176.6	-84.4	-21.9	0	0	0	112.5	L265 E428 Y429	L265-N431 PolarHBondContact N-OD1 3.29Å; E428-N431 PolarHBondContact O-N 2.89Å; Y429-N431 VanDerWaalsContact C-N 3.28Å; Y429-N431 PolarHBondContact O-N 2.66Å
432	H	83.3	Confident	82.9	Confident	73 Å²	73	52 Å²	52	34%	0.338	27%	0.27	S	S	.	.	H	α-helix	trans	-96.9	-18.5	-177.2	-65.4	88.7	0	0	0	113.3	E428 Y429 T434 S435 W436	E428-H432 PolarHBondContact O-ND1 3.27Å; Y429-H432 CarbonylContact O-C 3.39Å; Y429-H432 PolarHBondContact O-N 2.98Å; H432-T434 PolarHBondContact O-N 3.22Å; H432-S435 WeakPolarHBondContact O-CB 3.46Å; H432-S435 PolarHBondContact O-N 3Å; H432-W436 WeakPolarHBondContact O-CB 3.44Å; H432-W436 PolarHBondContact O-N 3.22Å
433	A	80	Confident	83.2	Confident	3 Å²	3	53.8 Å²	53.8	3%	0.025	28%	0.282	C	S	.	.	H	α-helix	trans	-57.7	-50.6	-172.1	0	0	0	0	0	111.6	Y429 S435 W436 Q437	Y429-A433 HydrophobicContact CD1-CB 4.04Å; Y429-A433 HydrophobicContact CE1-CB 3.65Å; Y429-A433 HydrophobicContact CE2-CB 4.27Å; Y429-A433 HydrophobicContact CG-CB 4.48Å; Y429-A433 WeakPolarHBondContact O-CA 3.43Å; Y429-A433 WeakPolarHBondContact O-CB 3.42Å; Y429-A433 PolarHBondContact O-N 2.84Å; A433-S435 VanDerWaalsContact C-N 3.34Å; A433-S435 PolarHBondContact O-N 3.45Å; A433-W436 PolarHBondContact O-N 3.01Å; A433-Q437 WeakPolarHBondContact O-CB 3.45Å; A433-Q437 WeakPolarHBondContact O-CG 3.35Å; A433-Q437 PolarHBondContact O-N 2.98Å
434	T	80.6	Confident	83.5	Confident	4 Å²	4	51.9 Å²	51.9	3%	0.025	28%	0.28	C	S	.	.	H	α-helix	trans	-63.5	-41.6	179.3	-52	0	0	0	0	111.4	K263 Y281 H432 W436 T438	K263-T434 HydrophobicContact CG-CG2 4.27Å; Y281-T434 HydrophobicContact CD1-CG2 3.83Å; Y281-T434 HydrophobicContact CD2-CG2 4.45Å; Y281-T434 HydrophobicContact CE1-CG2 3.39Å; Y281-T434 HydrophobicContact CE2-CG2 4.08Å; Y281-T434 HydrophobicContact CG-CG2 4.33Å; H432-T434 PolarHBondContact O-N 3.22Å; T434-W436 VanDerWaalsContact C-N 3.33Å; T434-W436 PolarHBondContact O-N 3.33Å; T434-T438 HydrophobicContact CG2-CG2 4.35Å; T434-T438 WeakPolarHBondContact O-CB 3.35Å; T434-T438 PolarHBondContact O-N 3.44Å; T434-T438 PolarHBondContact O-OG1 2.97Å
435	S	85	Confident	83.8	Confident	64 Å²	64	47 Å²	47	45%	0.448	25%	0.254	S	S	.	.	H	α-helix	trans	-64	-39.8	177.4	-169.5	0	0	0	0	111.8	H432 A433 G439	H432-S435 WeakPolarHBondContact O-CB 3.46Å; H432-S435 PolarHBondContact O-N 3Å; A433-S435 VanDerWaalsContact C-N 3.34Å; A433-S435 PolarHBondContact O-N 3.45Å; S435-G439 WeakPolarHBondContact O-CA 3.36Å; S435-G439 PolarHBondContact O-N 3Å
436	W	87.3	Confident	84.2	Confident	17 Å²	17	46.7 Å²	46.7	6%	0.064	25%	0.251	C	S	.	.	H	α-helix	trans	-66.1	-54.4	175.8	171.8	-113	0	0	0	111.9	L417 I418 M421 H432 A433 T434 G439 G441 C442 A445 S515	L417-W436 HydrophobicContact CD2-CH2 4.06Å; L417-W436 HydrophobicContact CG-CH2 3.91Å; L417-W436 HydrophobicContact CG-CZ3 4.5Å; I418-W436 HydrophobicContact CD1-CZ2 3.81Å; M421-W436 HydrophobicContact CB-CD2 4.49Å; M421-W436 HydrophobicContact CB-CE3 4.36Å; M421-W436 HydrophobicContact CB-CZ3 4.41Å; M421-W436 HydrophobicContact CE-CE3 3.84Å; M421-W436 HydrophobicContact CE-CZ3 3.6Å; M421-W436 HydrophobicContact CG-CD2 4.15Å; M421-W436 HydrophobicContact CG-CE3 3.56Å; M421-W436 HydrophobicContact CG-CH2 3.78Å; M421-W436 HydrophobicContact CG-CZ2 4.32Å; M421-W436 HydrophobicContact CG-CZ3 3.37Å; M421-W436 HydrophobicContact SD-CE3 3.77Å; M421-W436 HydrophobicContact SD-CZ3 3.93Å; H432-W436 WeakPolarHBondContact O-CB 3.44Å; H432-W436 PolarHBondContact O-N 3.22Å; A433-W436 PolarHBondContact O-N 3.01Å; T434-W436 VanDerWaalsContact C-N 3.33Å; T434-W436 PolarHBondContact O-N 3.33Å; W436-G439 PolarHBondContact O-N 3.19Å; W436-G441 VanDerWaalsContact CZ3-C 3.42Å; W436-C442 HydrophobicContact CD2-CB 4.4Å; W436-C442 HydrophobicContact CZ2-CB 4.32Å; W436-C442 WeakPolarHBondContact O-CB 3.11Å; W436-A445 HydrophobicContact CH2-CB 4.23Å; W436-A445 HydrophobicContact CZ2-CB 4.29Å; W436-S515 PolarHBondContact NE1-O 3.47Å
437	Q	85.2	Confident	85.1	Confident	27 Å²	27	43.9 Å²	43.9	13%	0.126	24%	0.242	C	C	.	.	H	α-helix	trans	-64.8	-43.2	-175.3	-75.2	177.6	-29.4	0	0	113.2	N354 A433 S512	N354-Q437 PolarHBondContact OD1-NE2 3.37Å; A433-Q437 WeakPolarHBondContact O-CB 3.45Å; A433-Q437 WeakPolarHBondContact O-CG 3.35Å; A433-Q437 PolarHBondContact O-N 2.98Å; Q437-S512 WeakPolarHBondContact O-CB 3.46Å; Q437-S512 PolarHBondContact O-OG 2.9Å
438	T	83.8	Confident	86.1	Confident	81 Å²	81	38.4 Å²	38.4	50%	0.497	22%	0.218	S	C	.	.	H	α-helix	trans	-87.7	-11.9	179.7	64	0	0	0	0	113.2	T434	T434-T438 HydrophobicContact CG2-CG2 4.35Å; T434-T438 WeakPolarHBondContact O-CB 3.35Å; T434-T438 PolarHBondContact O-N 3.44Å; T434-T438 PolarHBondContact O-OG1 2.97Å
439	G	85.6	Confident	86.9	Confident	14 Å²	14	33.6 Å²	33.6	14%	0.144	20%	0.196	C	C	.	.	S	Bend	trans	-82.3	169.5	-178.7	0	0	0	0	0	113.6	S435 W436 G441 C442	S435-G439 WeakPolarHBondContact O-CA 3.36Å; S435-G439 PolarHBondContact O-N 3Å; W436-G439 PolarHBondContact O-N 3.19Å; G439-G441 PolarHBondContact O-N 3.08Å; G439-G441 VanDerWaalsContact O-N 3.17Å; G439-C442 PolarHBondContact O-N 3.16Å
440	P	88.4	Confident	87.6	Confident	107 Å²	107	33 Å²	33	70%	0.695	19%	0.194	S	C	*	.	H	α-helix	trans	-65.5	-19.7	179.7	28.1	-35.6	0	0	0	113.1	T444	P440-T444 WeakPolarHBondContact O-CB 3.47Å; P440-T444 PolarHBondContact O-N 2.96Å; P440-T444 PolarHBondContact O-OG1 2.97Å
441	G	89.4	Confident	88.4	Confident	19 Å²	19	31.1 Å²	31.1	20%	0.196	19%	0.187	C	C	.	.	H	α-helix	trans	-60.6	-51.3	178.6	0	0	0	0	0	112.2	W436 G439 T444 A445	W436-G441 VanDerWaalsContact CZ3-C 3.42Å; G439-G441 PolarHBondContact O-N 3.08Å; G439-G441 VanDerWaalsContact O-N 3.17Å; G441-T444 PolarHBondContact O-N 3.48Å; G441-A445 WeakPolarHBondContact O-CB 3.45Å; G441-A445 PolarHBondContact O-N 3.37Å
442	C	90.6	Very high	88.9	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-69.7	-36.6	179.9	-169.4	0	0	0	0	112.4	W436 G439 T444 A445 G446 Y511 C517	W436-C442 HydrophobicContact CD2-CB 4.4Å; W436-C442 HydrophobicContact CZ2-CB 4.32Å; W436-C442 WeakPolarHBondContact O-CB 3.11Å; G439-C442 PolarHBondContact O-N 3.16Å; C442-T444 VanDerWaalsContact C-N 3.33Å; C442-T444 PolarHBondContact O-N 2.95Å; C442-A445 PolarHBondContact O-N 2.94Å; C442-G446 PolarHBondContact O-N 3.2Å; C442-Y511 PolarHBondContact SG-O 2.98Å; C442-C517 WeakPolarHBondContact CA-SG 3.24Å; C442-C517 HydrophobicContact CB-CB 4.16Å; C442-C517 WeakPolarHBondContact CB-SG 3.35Å; C442-C517 WeakPolarHBondContact O-CB 3.44Å; C442-C517 VanDerWaalsContact SG-CA 3.54Å; C442-C517 WeakPolarHBondContact SG-CB 3.2Å; C442-C517 CovalentContact SG-SG 2.03Å; C442-C517 PolarHBondContact SG-SG 3.29Å
443	S	92.4	Very high	89.1	Confident	37 Å²	37	27 Å²	27	26%	0.259	17%	0.168	S	C	.	.	H	α-helix	trans	-60.2	-41.7	172.5	-54.8	0	0	0	0	112.5	F447	S443-F447 WeakPolarHBondContact O-CB 3.5Å; S443-F447 PolarHBondContact O-N 3.05Å
444	T	93.1	Very high	89.7	Confident	74 Å²	74	27.1 Å²	27.1	45%	0.454	17%	0.169	S	C	.	.	H	α-helix	trans	-68.6	-42.5	177	-54.4	0	0	0	0	111.2	P440 G441 C442 F447 L448	P440-T444 WeakPolarHBondContact O-CB 3.47Å; P440-T444 PolarHBondContact O-N 2.96Å; P440-T444 PolarHBondContact O-OG1 2.97Å; G441-T444 PolarHBondContact O-N 3.48Å; C442-T444 VanDerWaalsContact C-N 3.33Å; C442-T444 PolarHBondContact O-N 2.95Å; T444-F447 PolarHBondContact O-N 3.02Å; T444-L448 HydrophobicContact CG2-CD1 4.18Å; T444-L448 WeakPolarHBondContact O-CB 3.34Å; T444-L448 WeakPolarHBondContact O-CG 3.38Å; T444-L448 PolarHBondContact O-N 3.09Å
445	A	92.6	Very high	90.2	Very high	0 Å²	0	27 Å²	27	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-58.9	-48.9	175.4	0	0	0	0	0	111.4	Y414 L417 I418 W436 G441 C442 L448 T449 C517	Y414-A445 HydrophobicContact CD2-CB 4.01Å; Y414-A445 WeakPolarHBondContact CD2-O 3.18Å; Y414-A445 HydrophobicContact CE2-CB 4.24Å; L417-A445 HydrophobicContact CD2-CB 3.72Å; I418-A445 HydrophobicContact CD1-CB 4.5Å; W436-A445 HydrophobicContact CH2-CB 4.23Å; W436-A445 HydrophobicContact CZ2-CB 4.29Å; G441-A445 WeakPolarHBondContact O-CB 3.45Å; G441-A445 PolarHBondContact O-N 3.37Å; C442-A445 PolarHBondContact O-N 2.94Å; A445-L448 PolarHBondContact O-N 2.8Å; A445-T449 WeakPolarHBondContact O-CG2 3.22Å; A445-T449 PolarHBondContact O-N 2.99Å; A445-C517 HydrophobicContact CB-CB 3.92Å
446	G	91.9	Very high	90.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.8	-42.1	178.8	0	0	0	0	0	113.3	C442 T449 V450 Y511 C517	C442-G446 PolarHBondContact O-N 3.2Å; G446-T449 VanDerWaalsContact O-CG2 3.23Å; G446-T449 WeakPolarHBondContact O-CG2 3.39Å; G446-V450 WeakPolarHBondContact O-CG2 3.36Å; G446-V450 PolarHBondContact O-N 3.33Å; G446-Y511 VanDerWaalsContact C-CZ 3.46Å; G446-Y511 PolarHBondContact O-OH 3.44Å; G446-C517 WeakPolarHBondContact CA-O 3.32Å
447	F	95.1	Very high	90.5	Very high	49 Å²	49	24 Å²	24	22%	0.215	15%	0.149	C	C	.	.	H	α-helix	trans	-60.9	-51.3	173.1	175.6	-93.3	0	0	0	111.6	S443 T444 T449 V450 F451 L498 A501 L502 L505	S443-F447 WeakPolarHBondContact O-CB 3.5Å; S443-F447 PolarHBondContact O-N 3.05Å; T444-F447 PolarHBondContact O-N 3.02Å; F447-T449 VanDerWaalsContact C-N 3.34Å; F447-T449 PolarHBondContact O-N 3.21Å; F447-V450 PolarHBondContact O-N 3.41Å; F447-F451 HydrophobicContact CE1-CB 4.39Å; F447-F451 HydrophobicContact CZ-CB 4.45Å; F447-F451 WeakPolarHBondContact O-CB 3.01Å; F447-F451 PolarHBondContact O-N 3.3Å; F447-L498 HydrophobicContact CE2-CD1 3.89Å; F447-L498 HydrophobicContact CZ-CD1 3.69Å; F447-A501 HydrophobicContact CD2-CB 3.69Å; F447-A501 HydrophobicContact CE2-CB 3.75Å; F447-A501 HydrophobicContact CG-CB 4.47Å; F447-L502 HydrophobicContact CD2-CD2 4.26Å; F447-L502 HydrophobicContact CE2-CD2 3.85Å; F447-L502 HydrophobicContact CE2-CG 4.13Å; F447-L505 HydrophobicContact CB-CD1 4.27Å; F447-L505 HydrophobicContact CD2-CD1 3.98Å; F447-L505 HydrophobicContact CG-CD1 4.46Å
448	L	93.4	Very high	90.8	Very high	35 Å²	35	25.6 Å²	25.6	18%	0.183	15%	0.154	C	C	.	.	H	α-helix	trans	-59.7	-44.4	-177.8	-76.2	173	0	0	0	111.7	T444 A445 A452	T444-L448 HydrophobicContact CG2-CD1 4.18Å; T444-L448 WeakPolarHBondContact O-CB 3.34Å; T444-L448 WeakPolarHBondContact O-CG 3.38Å; T444-L448 PolarHBondContact O-N 3.09Å; A445-L448 PolarHBondContact O-N 2.8Å; L448-A452 WeakPolarHBondContact O-CB 3.38Å; L448-A452 PolarHBondContact O-N 3.27Å
449	T	90.6	Very high	91.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-66.8	-45.9	-177.7	-172.2	0	0	0	0	112.6	M411 Y414 A445 G446 F447 S453 L518 Y615	M411-T449 WeakPolarHBondContact CE-OG1 3.38Å; M411-T449 VanDerWaalsContact SD-O 3.35Å; Y414-T449 HydrophobicContact CD2-CG2 4.37Å; Y414-T449 HydrophobicContact CE2-CG2 4.15Å; A445-T449 WeakPolarHBondContact O-CG2 3.22Å; A445-T449 PolarHBondContact O-N 2.99Å; G446-T449 VanDerWaalsContact O-CG2 3.23Å; G446-T449 WeakPolarHBondContact O-CG2 3.39Å; F447-T449 VanDerWaalsContact C-N 3.34Å; F447-T449 PolarHBondContact O-N 3.21Å; T449-S453 WeakPolarHBondContact O-CB 3.38Å; T449-S453 PolarHBondContact O-N 3.17Å; T449-S453 PolarHBondContact O-OG 3.46Å; T449-S453 VanDerWaalsContact O-OG 3.08Å; T449-L518 HydrophobicContact CG2-CD2 3.87Å; T449-Y615 WeakPolarHBondContact OG1-CE1 3.21Å; T449-Y615 PolarHBondContact OG1-OH 3.17Å
450	V	91.4	Very high	91.1	Very high	7 Å²	7	21.4 Å²	21.4	4%	0.042	13%	0.125	C	C	.	.	H	α-helix	trans	-69.7	-45.9	-179.8	174.5	0	0	0	0	110.6	G446 F447 A452 S453 E454 V500 A501 Y511 P519	G446-V450 WeakPolarHBondContact O-CG2 3.36Å; G446-V450 PolarHBondContact O-N 3.33Å; F447-V450 PolarHBondContact O-N 3.41Å; V450-A452 VanDerWaalsContact C-N 3.3Å; V450-A452 PolarHBondContact O-N 3.04Å; V450-S453 PolarHBondContact O-N 3.12Å; V450-S453 PolarHBondContact O-OG 2.94Å; V450-E454 HydrophobicContact CG1-CG 4.15Å; V450-E454 WeakPolarHBondContact O-CB 3.25Å; V450-E454 VanDerWaalsContact O-CG 3.24Å; V450-E454 WeakPolarHBondContact O-CG 3.03Å; V450-E454 PolarHBondContact O-N 3.38Å; V450-V500 HydrophobicContact CG1-CG1 3.84Å; V450-A501 HydrophobicContact CB-CB 4.27Å; V450-A501 HydrophobicContact CG1-CB 4.13Å; V450-Y511 HydrophobicContact CG2-CE1 3.77Å; V450-P519 HydrophobicContact CG2-CG 3.9Å
451	F	94.8	Very high	91.1	Very high	13 Å²	13	17.1 Å²	17.1	6%	0.057	10%	0.097	C	C	.	.	H	α-helix	trans	-56.8	-47.4	178.6	171.1	-104.2	0	0	0	111.4	F406 F447 L455 W494 A501	F406-F451 AromaticContact CE1-CE1 3.88Å; F406-F451 HydrophobicContact CE1-CE1 3.88Å; F406-F451 HydrophobicContact CE1-CZ 4.21Å; F447-F451 HydrophobicContact CE1-CB 4.39Å; F447-F451 HydrophobicContact CZ-CB 4.45Å; F447-F451 WeakPolarHBondContact O-CB 3.01Å; F447-F451 PolarHBondContact O-N 3.3Å; F451-L455 HydrophobicContact CE1-CD2 4.12Å; F451-L455 HydrophobicContact CE2-CD2 4.49Å; F451-L455 HydrophobicContact CZ-CD2 3.81Å; F451-L455 WeakPolarHBondContact O-CB 3.18Å; F451-L455 PolarHBondContact O-N 2.76Å; F451-W494 HydrophobicContact CE2-CE3 4.16Å; F451-W494 HydrophobicContact CE2-CZ3 4.43Å; F451-W494 AromaticContact CZ-CE3 3.76Å; F451-W494 HydrophobicContact CZ-CE3 3.76Å; F451-W494 HydrophobicContact CZ-CH2 4.32Å; F451-W494 AromaticContact CZ-CZ3 3.62Å; F451-W494 HydrophobicContact CZ-CZ3 3.62Å; F451-A501 HydrophobicContact CB-CB 3.74Å
452	A	92.6	Very high	91.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-73.9	-37.8	-176.3	0	0	0	0	0	113	A407 C410 M411 L448 V450 S456	A407-A452 VanDerWaalsContact O-CB 3.32Å; A407-A452 WeakPolarHBondContact O-CB 3.19Å; C410-A452 HydrophobicContact CB-CB 3.59Å; M411-A452 HydrophobicContact CB-CB 4.45Å; M411-A452 HydrophobicContact CG-CB 3.61Å; M411-A452 HydrophobicContact SD-CB 3.39Å; M411-A452 WeakPolarHBondContact SD-CB 3.42Å; L448-A452 WeakPolarHBondContact O-CB 3.38Å; L448-A452 PolarHBondContact O-N 3.27Å; V450-A452 VanDerWaalsContact C-N 3.3Å; V450-A452 PolarHBondContact O-N 3.04Å; A452-S456 VanDerWaalsContact O-CB 3.22Å; A452-S456 WeakPolarHBondContact O-CB 3.4Å; A452-S456 PolarHBondContact O-N 2.83Å
453	S	88.5	Confident	90.9	Very high	15 Å²	15	17 Å²	17	11%	0.105	9%	0.092	C	C	.	.	H	α-helix	trans	-65.3	-46.4	175	65.3	0	0	0	0	111.9	T449 V450 S456 V457 Y615	T449-S453 WeakPolarHBondContact O-CB 3.38Å; T449-S453 PolarHBondContact O-N 3.17Å; T449-S453 PolarHBondContact O-OG 3.46Å; T449-S453 VanDerWaalsContact O-OG 3.08Å; V450-S453 PolarHBondContact O-N 3.12Å; V450-S453 PolarHBondContact O-OG 2.94Å; S453-S456 PolarHBondContact O-N 3.34Å; S453-V457 WeakPolarHBondContact O-CG2 3.45Å; S453-V457 PolarHBondContact O-N 2.82Å; S453-Y615 WeakPolarHBondContact CB-OH 3.44Å; S453-Y615 PolarHBondContact OG-OH 3.06Å
454	E	90.7	Very high	90.4	Very high	7 Å²	7	15.4 Å²	15.4	3%	0.033	8%	0.081	C	C	.	.	H	α-helix	trans	-66.7	-41	-179.7	-67.2	-59.8	135.3	0	0	111.7	V450 S456 Y458 V500 V534 N538	V450-E454 HydrophobicContact CG1-CG 4.15Å; V450-E454 WeakPolarHBondContact O-CB 3.25Å; V450-E454 VanDerWaalsContact O-CG 3.24Å; V450-E454 WeakPolarHBondContact O-CG 3.03Å; V450-E454 PolarHBondContact O-N 3.38Å; E454-S456 VanDerWaalsContact C-N 3.33Å; E454-S456 PolarHBondContact O-N 2.97Å; E454-Y458 VanDerWaalsContact O-CB 3.28Å; E454-Y458 WeakPolarHBondContact O-CB 3.18Å; E454-Y458 PolarHBondContact O-N 3.06Å; E454-V500 HydrophobicContact CG-CG1 4.21Å; E454-V534 WeakPolarHBondContact OE1-CG1 3.3Å; E454-N538 PolarHBondContact OE1-ND2 3.3Å
455	L	92.8	Very high	90.1	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-65.6	-37.9	176.4	-177.2	62.1	0	0	0	111.4	F406 A407 F451 T459 M490 W494 S497	F406-L455 HydrophobicContact CD1-CD2 4.03Å; F406-L455 HydrophobicContact CE1-CD2 4.28Å; A407-L455 HydrophobicContact CB-CB 4.16Å; A407-L455 HydrophobicContact CB-CD2 4.03Å; A407-L455 HydrophobicContact CB-CG 4.03Å; F451-L455 HydrophobicContact CE1-CD2 4.12Å; F451-L455 HydrophobicContact CE2-CD2 4.49Å; F451-L455 HydrophobicContact CZ-CD2 3.81Å; F451-L455 WeakPolarHBondContact O-CB 3.18Å; F451-L455 PolarHBondContact O-N 2.76Å; L455-T459 VanDerWaalsContact O-CB 3.27Å; L455-T459 WeakPolarHBondContact O-CB 3.48Å; L455-T459 PolarHBondContact O-N 2.87Å; L455-T459 PolarHBondContact O-OG1 3.11Å; L455-M490 HydrophobicContact CD1-CE 4.29Å; L455-W494 HydrophobicContact CD1-CD2 4.38Å; L455-W494 HydrophobicContact CD1-CG 4.14Å; L455-W494 HydrophobicContact CD2-CD2 4.3Å; L455-W494 HydrophobicContact CD2-CH2 4.46Å; L455-W494 HydrophobicContact CD2-CZ2 4.01Å; L455-S497 WeakPolarHBondContact CA-OG 3.13Å; L455-S497 PolarHBondContact N-OG 3.07Å
456	S	90	Very high	89.8	Confident	4 Å²	4	15.6 Å²	15.6	3%	0.028	8%	0.078	C	C	.	.	H	α-helix	trans	-64.4	-52.5	177	-170.9	0	0	0	0	111.1	L404 A452 S453 E454 Y458 T459 L460	L404-S456 WeakPolarHBondContact CD1-OG 3.25Å; A452-S456 VanDerWaalsContact O-CB 3.22Å; A452-S456 WeakPolarHBondContact O-CB 3.4Å; A452-S456 PolarHBondContact O-N 2.83Å; S453-S456 PolarHBondContact O-N 3.34Å; E454-S456 VanDerWaalsContact C-N 3.33Å; E454-S456 PolarHBondContact O-N 2.97Å; S456-Y458 PolarHBondContact O-N 3.03Å; S456-T459 PolarHBondContact O-N 2.86Å; S456-T459 VanDerWaalsContact O-N 3.13Å; S456-L460 WeakPolarHBondContact O-CG 3.3Å; S456-L460 PolarHBondContact O-N 3.12Å
457	V	87.7	Confident	89.3	Confident	14 Å²	14	18.1 Å²	18.1	9%	0.085	9%	0.088	C	C	.	.	H	α-helix	trans	-58.1	-46.8	177.6	173.2	0	0	0	0	111	S453 T459 L460 T461 A541 M585	S453-V457 WeakPolarHBondContact O-CG2 3.45Å; S453-V457 PolarHBondContact O-N 2.82Å; V457-T459 PolarHBondContact O-N 3.45Å; V457-L460 PolarHBondContact O-N 3.32Å; V457-T461 WeakPolarHBondContact O-CG2 3.44Å; V457-T461 PolarHBondContact O-N 3.36Å; V457-A541 HydrophobicContact CG1-CB 3.63Å; V457-M585 HydrophobicContact CG2-CE 3.99Å
458	Y	91.2	Very high	88.6	Confident	62 Å²	62	19.7 Å²	19.7	24%	0.243	9%	0.092	C	C	.	.	H	α-helix	trans	-59.3	-46.8	176.2	-171.6	-88.5	0	0	0	111.6	E454 S456 L460 T461 V462 M489 M490	E454-Y458 VanDerWaalsContact O-CB 3.28Å; E454-Y458 WeakPolarHBondContact O-CB 3.18Å; E454-Y458 PolarHBondContact O-N 3.06Å; S456-Y458 PolarHBondContact O-N 3.03Å; Y458-L460 VanDerWaalsContact C-N 3.31Å; Y458-L460 PolarHBondContact O-N 3.28Å; Y458-T461 PolarHBondContact O-N 3.46Å; Y458-T461 VanDerWaalsContact O-N 3.16Å; Y458-T461 PolarHBondContact O-OG1 2.75Å; Y458-V462 HydrophobicContact CD1-CG2 3.94Å; Y458-V462 HydrophobicContact CE1-CG2 3.54Å; Y458-V462 WeakPolarHBondContact O-CG2 3.32Å; Y458-V462 PolarHBondContact O-N 3.1Å; Y458-M489 PolarHBondContact OH-O 3.09Å; Y458-M489 VanDerWaalsContact OH-O 3.09Å; Y458-M490 HydrophobicContact CD1-SD 4.43Å; Y458-M490 HydrophobicContact CE1-SD 4.38Å
459	T	90.6	Very high	88.1	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.3	-40.1	179.1	-56.6	0	0	0	0	111.6	L400 N403 L404 L455 S456 V457 V462 I463 M490	L400-T459 WeakPolarHBondContact O-CG2 3.43Å; N403-T459 HydrophobicContact CB-CG2 4.16Å; L404-T459 HydrophobicContact CB-CG2 3.96Å; L455-T459 VanDerWaalsContact O-CB 3.27Å; L455-T459 WeakPolarHBondContact O-CB 3.48Å; L455-T459 PolarHBondContact O-N 2.87Å; L455-T459 PolarHBondContact O-OG1 3.11Å; S456-T459 PolarHBondContact O-N 2.86Å; S456-T459 VanDerWaalsContact O-N 3.13Å; V457-T459 PolarHBondContact O-N 3.45Å; T459-V462 PolarHBondContact O-N 3.39Å; T459-I463 HydrophobicContact CG2-CD1 3.99Å; T459-I463 HydrophobicContact CG2-CG1 4.45Å; T459-I463 VanDerWaalsContact O-CG1 3.27Å; T459-I463 WeakPolarHBondContact O-CG1 3.32Å; T459-I463 PolarHBondContact O-N 2.9Å; T459-M490 HydrophobicContact CG2-CE 4.33Å; T459-M490 WeakPolarHBondContact OG1-CE 3.36Å
460	L	84.8	Confident	87.6	Confident	7 Å²	7	23 Å²	23	4%	0.037	11%	0.11	C	C	.	.	H	α-helix	trans	-64.4	-38	175.9	-69.7	-177	0	0	0	112.7	L404 S456 V457 Y458 I463 S464 L577 D581	L404-L460 HydrophobicContact CD1-CD2 3.86Å; L404-L460 HydrophobicContact CD1-CG 4.05Å; L404-L460 HydrophobicContact CD2-CD2 3.77Å; L404-L460 HydrophobicContact CG-CD2 4.5Å; S456-L460 WeakPolarHBondContact O-CG 3.3Å; S456-L460 PolarHBondContact O-N 3.12Å; V457-L460 PolarHBondContact O-N 3.32Å; Y458-L460 VanDerWaalsContact C-N 3.31Å; Y458-L460 PolarHBondContact O-N 3.28Å; L460-I463 HydrophobicContact CD2-CD1 4.29Å; L460-I463 PolarHBondContact O-N 3.19Å; L460-S464 WeakPolarHBondContact O-CB 3.47Å; L460-S464 PolarHBondContact O-N 2.94Å; L460-S464 PolarHBondContact O-OG 3.43Å; L460-L577 HydrophobicContact CD1-CD2 4.01Å; L460-L577 HydrophobicContact CD2-CD1 4.21Å; L460-L577 HydrophobicContact CD2-CD2 3.36Å; L460-L577 HydrophobicContact CD2-CG 4.39Å; L460-L577 HydrophobicContact CG-CD2 4.25Å; L460-D581 HydrophobicContact CD1-CB 4.19Å
461	T	88.5	Confident	86.8	Confident	16 Å²	16	24.9 Å²	24.9	10%	0.098	12%	0.12	C	C	.	.	H	α-helix	trans	-64.2	-43.1	174.1	72	0	0	0	0	111.6	V457 Y458 S464 L465 A541 V545	V457-T461 WeakPolarHBondContact O-CG2 3.44Å; V457-T461 PolarHBondContact O-N 3.36Å; Y458-T461 PolarHBondContact O-N 3.46Å; Y458-T461 VanDerWaalsContact O-N 3.16Å; Y458-T461 PolarHBondContact O-OG1 2.75Å; T461-S464 WeakPolarHBondContact O-CB 3.34Å; T461-S464 PolarHBondContact O-N 2.69Å; T461-L465 WeakPolarHBondContact O-CG 3.39Å; T461-L465 PolarHBondContact O-N 2.93Å; T461-A541 HydrophobicContact CG2-CB 3.78Å; T461-V545 HydrophobicContact CG2-CG2 3.64Å
462	V	89.9	Confident	85.8	Confident	7 Å²	7	27.1 Å²	27.1	4%	0.042	13%	0.134	C	C	.	.	H	α-helix	trans	-67	-39.5	177.9	176.8	0	0	0	0	111.4	L400 Y458 T459 S464 L465 E466 V486 M490	L400-V462 HydrophobicContact CD1-CG1 4.12Å; L400-V462 HydrophobicContact CD2-CB 4.42Å; L400-V462 HydrophobicContact CD2-CG1 3.72Å; Y458-V462 HydrophobicContact CD1-CG2 3.94Å; Y458-V462 HydrophobicContact CE1-CG2 3.54Å; Y458-V462 WeakPolarHBondContact O-CG2 3.32Å; Y458-V462 PolarHBondContact O-N 3.1Å; T459-V462 PolarHBondContact O-N 3.39Å; V462-S464 VanDerWaalsContact C-N 3.29Å; V462-S464 PolarHBondContact O-N 3.31Å; V462-L465 PolarHBondContact O-N 3.2Å; V462-E466 VanDerWaalsContact O-CB 3.24Å; V462-E466 WeakPolarHBondContact O-CB 3.16Å; V462-E466 PolarHBondContact O-N 2.98Å; V462-V486 HydrophobicContact CG1-CG1 4.34Å; V462-M490 HydrophobicContact CB-SD 4.35Å; V462-M490 HydrophobicContact CG1-SD 4.28Å; V462-M490 HydrophobicContact CG2-SD 4.32Å
463	I	85.5	Confident	84.9	Confident	10 Å²	10	29 Å²	29	5%	0.051	14%	0.144	C	C	.	.	H	α-helix	trans	-58.7	-43.8	172.6	-71.8	166.2	0	0	0	110.4	L400 L404 T459 L460 R467 M574	L400-I463 HydrophobicContact CB-CD1 4.21Å; L400-I463 HydrophobicContact CB-CG1 3.69Å; L400-I463 HydrophobicContact CD1-CG1 3.91Å; L400-I463 HydrophobicContact CG-CG1 4.33Å; L404-I463 HydrophobicContact CD2-CD1 4.25Å; T459-I463 HydrophobicContact CG2-CD1 3.99Å; T459-I463 HydrophobicContact CG2-CG1 4.45Å; T459-I463 VanDerWaalsContact O-CG1 3.27Å; T459-I463 WeakPolarHBondContact O-CG1 3.32Å; T459-I463 PolarHBondContact O-N 2.9Å; L460-I463 HydrophobicContact CD2-CD1 4.29Å; L460-I463 PolarHBondContact O-N 3.19Å; I463-R467 HydrophobicContact CG2-CG 4.48Å; I463-R467 VanDerWaalsContact O-CB 3.28Å; I463-R467 WeakPolarHBondContact O-CB 3.41Å; I463-R467 WeakPolarHBondContact O-CG 3.48Å; I463-R467 PolarHBondContact O-N 3.41Å; I463-M574 HydrophobicContact CG2-CE 3.85Å
464	S	83.6	Confident	83.8	Confident	3 Å²	3	31 Å²	31	2%	0.021	16%	0.162	C	C	.	.	H	α-helix	trans	-65.8	-44.3	-179.9	-57.7	0	0	0	0	111.9	L460 T461 V462 R467 W468	L460-S464 WeakPolarHBondContact O-CB 3.47Å; L460-S464 PolarHBondContact O-N 2.94Å; L460-S464 PolarHBondContact O-OG 3.43Å; T461-S464 WeakPolarHBondContact O-CB 3.34Å; T461-S464 PolarHBondContact O-N 2.69Å; V462-S464 VanDerWaalsContact C-N 3.29Å; V462-S464 PolarHBondContact O-N 3.31Å; S464-R467 PolarHBondContact O-N 3.12Å; S464-W468 WeakPolarHBondContact O-CB 3.27Å; S464-W468 PolarHBondContact O-N 2.85Å
465	L	87	Confident	82.2	Confident	66 Å²	66	37.8 Å²	37.8	35%	0.346	20%	0.195	S	C	.	.	H	α-helix	trans	-66	-42.8	176.6	-73.6	167.3	0	0	0	112.3	T461 V462 R467 W468 H469 C548	T461-L465 WeakPolarHBondContact O-CG 3.39Å; T461-L465 PolarHBondContact O-N 2.93Å; V462-L465 PolarHBondContact O-N 3.2Å; L465-R467 VanDerWaalsContact C-N 3.29Å; L465-R467 PolarHBondContact O-N 3.49Å; L465-W468 HydrophobicContact CD2-CE3 4.07Å; L465-W468 HydrophobicContact CD2-CZ3 4.29Å; L465-W468 PolarHBondContact O-N 3.43Å; L465-H469 VanDerWaalsContact O-CB 3.28Å; L465-H469 WeakPolarHBondContact O-CB 3.32Å; L465-H469 PolarHBondContact O-N 3.44Å; L465-C548 WeakPolarHBondContact CD2-SG 3.42Å
466	E	85.8	Confident	80.7	Confident	12 Å²	12	43.4 Å²	43.4	6%	0.056	22%	0.221	C	C	.	.	H	α-helix	trans	-59	-43.7	175.4	-175.4	-94.5	163.4	0	0	111	I396 S397 L400 V462 T470	I396-E466 HydrophobicContact CG2-CG 3.68Å; S397-E466 PolarHBondContact OG-OE2 3.45Å; L400-E466 HydrophobicContact CD1-CB 4.17Å; L400-E466 HydrophobicContact CD1-CG 4.28Å; V462-E466 VanDerWaalsContact O-CB 3.24Å; V462-E466 WeakPolarHBondContact O-CB 3.16Å; V462-E466 PolarHBondContact O-N 2.98Å; E466-T470 WeakPolarHBondContact O-CB 3.42Å; E466-T470 VanDerWaalsContact O-CG2 3.27Å; E466-T470 WeakPolarHBondContact O-CG2 3.48Å; E466-T470 PolarHBondContact O-N 3.18Å; E466-T470 PolarHBondContact O-OG1 3.12Å
467	R	80.8	Confident	79.2	Confident	53 Å²	53	48.2 Å²	48.2	20%	0.2	25%	0.25	C	S	.	.	H	α-helix	trans	-69.4	-43.9	-179	-74.2	-83.3	-165.4	-117	-2.2	112.2	S397 I463 S464 L465 T470 I471 I552 M574	S397-R467 VanDerWaalsContact OG-CZ 3.29Å; S397-R467 PolarHBondContact OG-NH1 3.32Å; S397-R467 PolarHBondContact OG-NH2 3.07Å; S397-R467 VanDerWaalsContact OG-NH2 3.1Å; I463-R467 HydrophobicContact CG2-CG 4.48Å; I463-R467 VanDerWaalsContact O-CB 3.28Å; I463-R467 WeakPolarHBondContact O-CB 3.41Å; I463-R467 WeakPolarHBondContact O-CG 3.48Å; I463-R467 PolarHBondContact O-N 3.41Å; S464-R467 PolarHBondContact O-N 3.12Å; L465-R467 VanDerWaalsContact C-N 3.29Å; L465-R467 PolarHBondContact O-N 3.49Å; R467-T470 WeakPolarHBondContact CA-OG1 3.49Å; R467-T470 PolarHBondContact O-N 3.48Å; R467-T470 PolarHBondContact O-OG1 2.77Å; R467-T470 VanDerWaalsContact O-OG1 3.13Å; R467-I471 WeakPolarHBondContact O-CB 3.48Å; R467-I471 WeakPolarHBondContact O-CD1 3.45Å; R467-I471 WeakPolarHBondContact O-CG1 3.46Å; R467-I471 PolarHBondContact O-N 2.81Å; R467-I552 HydrophobicContact CB-CD1 4.35Å; R467-M574 HydrophobicContact CB-CE 3.75Å; R467-M574 HydrophobicContact CB-SD 3.91Å; R467-M574 WeakPolarHBondContact CD-SD 3.28Å; R467-M574 HydrophobicContact CG-CE 3.36Å; R467-M574 HydrophobicContact CG-SD 3.54Å; R467-M574 VanDerWaalsContact CG-SD 3.54Å
468	W	81.5	Confident	77.9	Confident	83 Å²	83	55.4 Å²	55.4	31%	0.314	29%	0.288	S	S	.	.	H	α-helix	trans	-59	-52	172.9	171.8	44.3	0	0	0	111.3	S464 L465 T470 I471 T472 C548 C551 I552	S464-W468 WeakPolarHBondContact O-CB 3.27Å; S464-W468 PolarHBondContact O-N 2.85Å; L465-W468 HydrophobicContact CD2-CE3 4.07Å; L465-W468 HydrophobicContact CD2-CZ3 4.29Å; L465-W468 PolarHBondContact O-N 3.43Å; W468-T470 PolarHBondContact O-N 3.35Å; W468-I471 PolarHBondContact O-N 2.91Å; W468-T472 PolarHBondContact NE1-OG1 3.32Å; W468-T472 WeakPolarHBondContact O-CB 3.26Å; W468-T472 PolarHBondContact O-N 3.21Å; W468-T472 PolarHBondContact O-OG1 2.75Å; W468-C548 HydrophobicContact CB-CB 4.42Å; W468-C551 HydrophobicContact CG-CB 4.46Å; W468-I552 HydrophobicContact CB-CD1 3.93Å; W468-I552 HydrophobicContact CB-CG1 3.78Å; W468-I552 HydrophobicContact CG-CG1 4.33Å
469	H	82.8	Confident	76.6	Confident	55 Å²	55	61 Å²	61	26%	0.255	31%	0.309	S	S	.	.	H	α-helix	trans	-61.6	-42	-178.8	-178.4	-73.6	0	0	0	112.4	L465 N473 R479 L481	L465-H469 VanDerWaalsContact O-CB 3.28Å; L465-H469 WeakPolarHBondContact O-CB 3.32Å; L465-H469 PolarHBondContact O-N 3.44Å; H469-N473 PolarHBondContact CD2-ND2 3.32Å; H469-N473 VanDerWaalsContact CD2-ND2 3.26Å; H469-N473 PolarHBondContact CE1-ND2 3.21Å; H469-N473 VanDerWaalsContact CE1-ND2 3.3Å; H469-N473 PolarHBondContact NE2-ND2 3.47Å; H469-N473 VanDerWaalsContact O-CB 3.23Å; H469-N473 WeakPolarHBondContact O-CB 3.49Å; H469-N473 PolarHBondContact O-N 3Å; H469-R479 PolarHBondContact CE1-O 2.74Å; H469-R479 VanDerWaalsContact CE1-O 3.28Å; H469-L481 HydrophobicContact CB-CD1 3.74Å; H469-L481 VanDerWaalsContact CG-CD1 3.41Å; H469-L481 WeakPolarHBondContact ND1-CD1 3.44Å
470	T	78.5	Confident	75.6	Confident	50 Å²	50	69.2 Å²	69.2	31%	0.307	34%	0.34	S	S	.	.	H	α-helix	trans	-69.5	-34.5	-179.6	48.9	0	0	0	0	113.1	E466 R467 W468 A474	E466-T470 WeakPolarHBondContact O-CB 3.42Å; E466-T470 VanDerWaalsContact O-CG2 3.27Å; E466-T470 WeakPolarHBondContact O-CG2 3.48Å; E466-T470 PolarHBondContact O-N 3.18Å; E466-T470 PolarHBondContact O-OG1 3.12Å; R467-T470 WeakPolarHBondContact CA-OG1 3.49Å; R467-T470 PolarHBondContact O-N 3.48Å; R467-T470 PolarHBondContact O-OG1 2.77Å; R467-T470 VanDerWaalsContact O-OG1 3.13Å; W468-T470 PolarHBondContact O-N 3.35Å; T470-A474 WeakPolarHBondContact O-CB 3.19Å; T470-A474 PolarHBondContact O-N 3.2Å
471	I	75.2	Confident	75.3	Confident	46 Å²	46	71 Å²	71	24%	0.236	35%	0.349	C	S	.	.	H	α-helix	trans	-72.9	-48.6	177	-67.5	167.9	0	0	0	110.3	R467 W468 A474 I552 V556	R467-I471 WeakPolarHBondContact O-CB 3.48Å; R467-I471 WeakPolarHBondContact O-CD1 3.45Å; R467-I471 WeakPolarHBondContact O-CG1 3.46Å; R467-I471 PolarHBondContact O-N 2.81Å; W468-I471 PolarHBondContact O-N 2.91Å; I471-A474 WeakPolarHBondContact O-CB 3.41Å; I471-I552 HydrophobicContact CD1-CG1 4.47Å; I471-I552 HydrophobicContact CD1-CG2 3.89Å; I471-V556 HydrophobicContact CG2-CG2 4.37Å
472	T	74.9	Confident	75.1	Confident	59 Å²	59	79 Å²	79	36%	0.362	38%	0.378	S	S	.	.	H	α-helix	trans	-69.4	-39.2	-178.2	-56.9	0	0	0	0	112.3	W468	W468-T472 PolarHBondContact NE1-OG1 3.32Å; W468-T472 WeakPolarHBondContact O-CB 3.26Å; W468-T472 PolarHBondContact O-N 3.21Å; W468-T472 PolarHBondContact O-OG1 2.75Å
473	N	72.5	Confident	74.8	Confident	39 Å²	39	81.7 Å²	81.7	21%	0.209	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	15.4	-178.6	-63.3	-35.3	0	0	0	113.9	H469 M475 H476	H469-N473 PolarHBondContact CD2-ND2 3.32Å; H469-N473 VanDerWaalsContact CD2-ND2 3.26Å; H469-N473 PolarHBondContact CE1-ND2 3.21Å; H469-N473 VanDerWaalsContact CE1-ND2 3.3Å; H469-N473 PolarHBondContact NE2-ND2 3.47Å; H469-N473 VanDerWaalsContact O-CB 3.23Å; H469-N473 WeakPolarHBondContact O-CB 3.49Å; H469-N473 PolarHBondContact O-N 3Å; N473-M475 PolarHBondContact O-N 3.17Å; N473-H476 PolarHBondContact O-N 3.23Å
474	A	65.6	Low	74.9	Confident	57 Å²	57	88.5 Å²	88.5	47%	0.471	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-26.3	-179.4	0	0	0	0	0	113.6	T470 I471	T470-A474 WeakPolarHBondContact O-CB 3.19Å; T470-A474 PolarHBondContact O-N 3.2Å; I471-A474 WeakPolarHBondContact O-CB 3.41Å
475	M	57.5	Low	75.2	Confident	150 Å²	150	93.3 Å²	93.3	74%	0.739	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-14.2	-176.2	-64.6	-66.9	-75.6	0	0	114.6	N473	N473-M475 PolarHBondContact O-N 3.17Å
476	H	61.4	Low	75.3	Confident	118 Å²	118	90.2 Å²	90.2	55%	0.546	43%	0.428	S	S	.	.			trans	-108.5	92.1	179	-70.5	-59.2	0	0	0	111.5	N473 N478 R479	N473-H476 PolarHBondContact O-N 3.23Å; H476-N478 PolarHBondContact O-N 3.43Å; H476-R479 HydrophobicContact CB-CB 4.5Å; H476-R479 PolarHBondContact O-N 3.25Å; H476-R479 VanDerWaalsContact O-N 3.08Å
477	V	57.8	Low	75.5	Confident	105 Å²	105	91.4 Å²	91.4	64%	0.636	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-53.3	-31.2	-177.9	-179.1	0	0	0	0	113.1	R479	V477-R479 PolarHBondContact O-N 3.05Å
478	N	60.4	Low	76.1	Confident	166 Å²	166	91.4 Å²	91.4	89%	0.888	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-79.8	-10	-177.7	-69.9	-15.9	0	0	0	115.3	H476	H476-N478 PolarHBondContact O-N 3.43Å
479	R	63.9	Low	76.6	Confident	178 Å²	178	91 Å²	91	67%	0.672	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-109.7	18.7	-178.3	-72.6	-172	175.7	178.1	-0.5	113.9	H469 H476 V477 L481	H469-R479 PolarHBondContact CE1-O 2.74Å; H469-R479 VanDerWaalsContact CE1-O 3.28Å; H476-R479 HydrophobicContact CB-CB 4.5Å; H476-R479 PolarHBondContact O-N 3.25Å; H476-R479 VanDerWaalsContact O-N 3.08Å; V477-R479 PolarHBondContact O-N 3.05Å; R479-L481 PolarHBondContact O-N 3.25Å
480	R	70.2	Confident	77.2	Confident	174 Å²	174	88.5 Å²	88.5	66%	0.657	44%	0.443	S	S	*	.			trans	-67.1	129.6	-178.6	-76.2	-173.4	173.5	-175	0.7	112.6	R482	R480-R482 PolarHBondContact O-N 2.72Å
481	L	77.4	Confident	78	Confident	43 Å²	43	89.1 Å²	89.1	23%	0.225	45%	0.453	C	S	.	.			trans	-56.1	131.7	166.8	-85.2	157	0	0	0	109.6	I396 H469 R479 H485 V486 M489	I396-L481 HydrophobicContact CD1-CB 4.29Å; I396-L481 VanDerWaalsContact CD1-O 3.29Å; I396-L481 WeakPolarHBondContact CD1-O 3.39Å; H469-L481 HydrophobicContact CB-CD1 3.74Å; H469-L481 VanDerWaalsContact CG-CD1 3.41Å; H469-L481 WeakPolarHBondContact ND1-CD1 3.44Å; R479-L481 PolarHBondContact O-N 3.25Å; L481-H485 HydrophobicContact CD2-CB 4.37Å; L481-V486 HydrophobicContact CD2-CG2 4.37Å; L481-M489 HydrophobicContact CD2-CE 4.48Å
482	R	84.6	Confident	78.9	Confident	186 Å²	186	89.9 Å²	89.9	70%	0.702	47%	0.466	S	S	*	.			trans	-105	154.5	175.6	-61.7	-176.4	-175.9	-176.3	1	109.3	R480 H484 H485 V486	R480-R482 PolarHBondContact O-N 2.72Å; R482-H484 PolarHBondContact O-N 2.91Å; R482-H485 PolarHBondContact O-N 3.11Å; R482-H485 VanDerWaalsContact O-N 3.09Å; R482-V486 PolarHBondContact O-N 3.47Å
483	L	84.8	Confident	79.8	Confident	62 Å²	62	87 Å²	87	33%	0.325	45%	0.449	S	S	.	.	H	α-helix	trans	-55.2	-37.3	-179.1	-176.3	63.9	0	0	0	112.9	I396 F399 H485 V486 A487	I396-L483 HydrophobicContact CG1-CB 4.47Å; I396-L483 HydrophobicContact CG1-CD1 4.33Å; F399-L483 HydrophobicContact CB-CD1 3.98Å; F399-L483 HydrophobicContact CD1-CD1 4.11Å; F399-L483 HydrophobicContact CG-CD1 4.01Å; L483-H485 VanDerWaalsContact C-N 3.33Å; L483-H485 PolarHBondContact O-N 3.27Å; L483-V486 PolarHBondContact O-N 3.35Å; L483-A487 WeakPolarHBondContact O-CB 3.31Å; L483-A487 PolarHBondContact O-N 2.78Å
484	H	87.3	Confident	80.9	Confident	153 Å²	153	89.4 Å²	89.4	71%	0.708	46%	0.455	S	S	*	.	H	α-helix	trans	-61.9	-37.2	179.4	-167	-66.2	0	0	0	113.1	R482 A488	R482-H484 PolarHBondContact O-N 2.91Å; H484-A488 WeakPolarHBondContact O-CB 3.45Å; H484-A488 PolarHBondContact O-N 3.05Å
485	H	89	Confident	82.4	Confident	105 Å²	105	88.7 Å²	88.7	49%	0.486	45%	0.453	S	S	.	.	H	α-helix	trans	-66.4	-42.2	176.6	-59.8	116.7	0	0	0	110.8	L481 R482 L483 A488 M489	L481-H485 HydrophobicContact CD2-CB 4.37Å; R482-H485 PolarHBondContact O-N 3.11Å; R482-H485 VanDerWaalsContact O-N 3.09Å; L483-H485 VanDerWaalsContact C-N 3.33Å; L483-H485 PolarHBondContact O-N 3.27Å; H485-A488 PolarHBondContact O-N 3.41Å; H485-M489 WeakPolarHBondContact O-CG 3.47Å; H485-M489 PolarHBondContact O-N 2.83Å
486	V	89.3	Confident	84.2	Confident	0 Å²	0	84.9 Å²	84.9	0%	0	43%	0.432	C	S	.	.	H	α-helix	trans	-70.3	-37.7	178.3	-177.9	0	0	0	0	111.8	I396 F399 L400 V462 L481 R482 L483 A488 M489 M490	I396-V486 HydrophobicContact CD1-CG2 4.46Å; I396-V486 HydrophobicContact CG2-CB 4.17Å; I396-V486 HydrophobicContact CG2-CG1 4.02Å; I396-V486 HydrophobicContact CG2-CG2 3.72Å; F399-V486 HydrophobicContact CD1-CG1 4.4Å; L400-V486 HydrophobicContact CD1-CG1 4.14Å; L400-V486 HydrophobicContact CD2-CG1 3.68Å; L400-V486 HydrophobicContact CG-CG1 4Å; V462-V486 HydrophobicContact CG1-CG1 4.34Å; L481-V486 HydrophobicContact CD2-CG2 4.37Å; R482-V486 PolarHBondContact O-N 3.47Å; L483-V486 PolarHBondContact O-N 3.35Å; V486-A488 VanDerWaalsContact C-N 3.34Å; V486-M489 HydrophobicContact CB-CE 4.2Å; V486-M489 HydrophobicContact CG1-CE 4.49Å; V486-M489 HydrophobicContact CG2-CE 3.82Å; V486-M489 PolarHBondContact O-N 3.45Å; V486-M490 WeakPolarHBondContact O-CG 3.26Å; V486-M490 PolarHBondContact O-N 3.2Å
487	A	91.3	Very high	85.8	Confident	37 Å²	37	79.3 Å²	79.3	31%	0.306	41%	0.406	S	S	.	.	H	α-helix	trans	-62.7	-40.7	173.8	0	0	0	0	0	111.7	F399 L483 M490 A491	F399-A487 HydrophobicContact CE1-CB 4.44Å; F399-A487 HydrophobicContact CZ-CB 4.34Å; L483-A487 WeakPolarHBondContact O-CB 3.31Å; L483-A487 PolarHBondContact O-N 2.78Å; A487-M490 PolarHBondContact O-N 3.27Å; A487-A491 WeakPolarHBondContact O-CB 3.45Å; A487-A491 PolarHBondContact O-N 3.03Å
488	A	92.6	Very high	87.7	Confident	54 Å²	54	77.8 Å²	77.8	45%	0.446	40%	0.395	S	S	.	.	H	α-helix	trans	-64.9	-42.8	174.5	0	0	0	0	0	112.3	H484 H485 V486 M490 A491 A492	H484-A488 WeakPolarHBondContact O-CB 3.45Å; H484-A488 PolarHBondContact O-N 3.05Å; H485-A488 PolarHBondContact O-N 3.41Å; V486-A488 VanDerWaalsContact C-N 3.34Å; A488-M490 VanDerWaalsContact C-N 3.35Å; A488-M490 PolarHBondContact O-N 3.31Å; A488-A491 PolarHBondContact O-N 3.37Å; A488-A492 PolarHBondContact O-N 3Å; A488-A492 VanDerWaalsContact O-N 3.11Å
489	M	92.4	Very high	89.3	Confident	73 Å²	73	74.9 Å²	74.9	36%	0.36	38%	0.378	S	S	.	.	H	α-helix	trans	-60.4	-44.2	173.4	-70.1	-173.4	-64.5	0	0	111.5	Y458 L481 H485 V486 A492 G493	Y458-M489 PolarHBondContact OH-O 3.09Å; Y458-M489 VanDerWaalsContact OH-O 3.09Å; L481-M489 HydrophobicContact CD2-CE 4.48Å; H485-M489 WeakPolarHBondContact O-CG 3.47Å; H485-M489 PolarHBondContact O-N 2.83Å; V486-M489 HydrophobicContact CB-CE 4.2Å; V486-M489 HydrophobicContact CG1-CE 4.49Å; V486-M489 HydrophobicContact CG2-CE 3.82Å; V486-M489 PolarHBondContact O-N 3.45Å; M489-A492 WeakPolarHBondContact O-CB 3.4Å; M489-A492 PolarHBondContact O-N 2.88Å; M489-G493 PolarHBondContact O-N 3.04Å
490	M	94.3	Very high	90.7	Very high	3 Å²	3	66.8 Å²	66.8	2%	0.015	35%	0.349	C	S	.	.	H	α-helix	trans	-64.1	-41.5	176.2	-72.9	-52.2	-55.5	0	0	112.2	F399 L400 N403 L455 Y458 T459 V462 V486 A487 A488 A492 G493 W494	F399-M490 HydrophobicContact CE1-CB 4.14Å; F399-M490 HydrophobicContact CE1-CG 3.77Å; F399-M490 HydrophobicContact CZ-CB 4.44Å; F399-M490 HydrophobicContact CZ-CG 4.5Å; L400-M490 HydrophobicContact CD2-CG 3.75Å; L400-M490 HydrophobicContact CD2-SD 3.59Å; L400-M490 VanDerWaalsContact CD2-SD 3.59Å; N403-M490 HydrophobicContact CB-CE 3.82Å; L455-M490 HydrophobicContact CD1-CE 4.29Å; Y458-M490 HydrophobicContact CD1-SD 4.43Å; Y458-M490 HydrophobicContact CE1-SD 4.38Å; T459-M490 HydrophobicContact CG2-CE 4.33Å; T459-M490 WeakPolarHBondContact OG1-CE 3.36Å; V462-M490 HydrophobicContact CB-SD 4.35Å; V462-M490 HydrophobicContact CG1-SD 4.28Å; V462-M490 HydrophobicContact CG2-SD 4.32Å; V486-M490 WeakPolarHBondContact O-CG 3.26Å; V486-M490 PolarHBondContact O-N 3.2Å; A487-M490 PolarHBondContact O-N 3.27Å; A488-M490 VanDerWaalsContact C-N 3.35Å; A488-M490 PolarHBondContact O-N 3.31Å; M490-A492 VanDerWaalsContact C-N 3.26Å; M490-A492 PolarHBondContact O-N 3.09Å; M490-G493 CarbonylContact O-C 3.5Å; M490-G493 WeakPolarHBondContact O-CA 3.28Å; M490-G493 PolarHBondContact O-N 3.22Å; M490-W494 VanDerWaalsContact O-CD1 3.22Å; M490-W494 PolarHBondContact O-N 3.41Å
491	A	94.9	Very high	91.9	Very high	64 Å²	64	58.5 Å²	58.5	53%	0.529	32%	0.318	S	S	.	.	H	α-helix	trans	-58.9	-38.5	176.3	0	0	0	0	0	112.2	A487 A488 W494 G495	A487-A491 WeakPolarHBondContact O-CB 3.45Å; A487-A491 PolarHBondContact O-N 3.03Å; A488-A491 PolarHBondContact O-N 3.37Å; A491-W494 PolarHBondContact O-N 2.97Å; A491-G495 PolarHBondContact O-N 3.27Å
492	A	94.6	Very high	92.7	Very high	61 Å²	61	59.9 Å²	59.9	50%	0.504	33%	0.325	S	S	.	.	H	α-helix	trans	-64.8	-43	172.5	0	0	0	0	0	112	A488 M489 M490 G495 F496	A488-A492 PolarHBondContact O-N 3Å; A488-A492 VanDerWaalsContact O-N 3.11Å; M489-A492 WeakPolarHBondContact O-CB 3.4Å; M489-A492 PolarHBondContact O-N 2.88Å; M490-A492 VanDerWaalsContact C-N 3.26Å; M490-A492 PolarHBondContact O-N 3.09Å; A492-G495 PolarHBondContact O-N 3.48Å; A492-F496 PolarHBondContact O-N 3.34Å
493	G	93.8	Very high	93.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-57.8	-46.3	173.7	0	0	0	0	0	113.2	M489 M490 G495 F496 S497	M489-G493 PolarHBondContact O-N 3.04Å; M490-G493 CarbonylContact O-C 3.5Å; M490-G493 WeakPolarHBondContact O-CA 3.28Å; M490-G493 PolarHBondContact O-N 3.22Å; G493-G495 PolarHBondContact O-N 2.88Å; G493-F496 PolarHBondContact O-N 3.5Å; G493-S497 PolarHBondContact O-N 2.98Å; G493-S497 PolarHBondContact O-OG 3.4Å; G493-S497 VanDerWaalsContact O-OG 3.07Å
494	W	96.6	Very high	93.4	Very high	88 Å²	88	50.9 Å²	50.9	33%	0.333	29%	0.291	S	S	.	.	H	α-helix	trans	-59.7	-43.9	174.9	-85.9	78.9	0	0	0	112.3	N403 F406 F451 L455 M490 A491 F496 L498	N403-W494 PolarHBondContact OD1-NE1 3.48Å; F406-W494 AromaticContact CD1-CH2 3.55Å; F406-W494 HydrophobicContact CD1-CH2 3.55Å; F406-W494 AromaticContact CD1-CZ2 3.67Å; F406-W494 HydrophobicContact CD1-CZ2 3.67Å; F406-W494 AromaticContact CE1-CH2 3.07Å; F406-W494 HydrophobicContact CE1-CH2 3.07Å; F406-W494 AromaticContact CE1-CZ2 3.71Å; F406-W494 HydrophobicContact CE1-CZ2 3.71Å; F406-W494 AromaticContact CE1-CZ3 3.82Å; F406-W494 HydrophobicContact CE1-CZ3 3.82Å; F406-W494 HydrophobicContact CG-CH2 4.44Å; F406-W494 AromaticContact CZ-CH2 3.65Å; F406-W494 HydrophobicContact CZ-CH2 3.65Å; F406-W494 HydrophobicContact CZ-CZ3 4.31Å; F451-W494 HydrophobicContact CE2-CE3 4.16Å; F451-W494 HydrophobicContact CE2-CZ3 4.43Å; F451-W494 AromaticContact CZ-CE3 3.76Å; F451-W494 HydrophobicContact CZ-CE3 3.76Å; F451-W494 HydrophobicContact CZ-CH2 4.32Å; F451-W494 AromaticContact CZ-CZ3 3.62Å; F451-W494 HydrophobicContact CZ-CZ3 3.62Å; L455-W494 HydrophobicContact CD1-CD2 4.38Å; L455-W494 HydrophobicContact CD1-CG 4.14Å; L455-W494 HydrophobicContact CD2-CD2 4.3Å; L455-W494 HydrophobicContact CD2-CH2 4.46Å; L455-W494 HydrophobicContact CD2-CZ2 4.01Å; M490-W494 VanDerWaalsContact O-CD1 3.22Å; M490-W494 PolarHBondContact O-N 3.41Å; A491-W494 PolarHBondContact O-N 2.97Å; W494-F496 VanDerWaalsContact C-N 3.34Å; W494-L498 VanDerWaalsContact O-CB 3.22Å; W494-L498 WeakPolarHBondContact O-CB 3.36Å; W494-L498 PolarHBondContact O-N 3.44Å
495	G	96.7	Very high	93.5	Very high	42 Å²	42	47.2 Å²	47.2	43%	0.433	28%	0.276	S	S	.	.	H	α-helix	trans	-61	-42.2	174.9	0	0	0	0	0	112.5	A491 A492 G493 L499	A491-G495 PolarHBondContact O-N 3.27Å; A492-G495 PolarHBondContact O-N 3.48Å; G493-G495 PolarHBondContact O-N 2.88Å; G495-L499 WeakPolarHBondContact O-CB 3.36Å; G495-L499 PolarHBondContact O-N 2.96Å
496	F	95	Very high	93.5	Very high	71 Å²	71	47.6 Å²	47.6	31%	0.311	29%	0.286	S	S	.	.	H	α-helix	trans	-64.7	-51.5	176.2	169.8	-99.6	0	0	0	112.4	A492 G493 W494 L498 L499 V500 L537	A492-F496 PolarHBondContact O-N 3.34Å; G493-F496 PolarHBondContact O-N 3.5Å; W494-F496 VanDerWaalsContact C-N 3.34Å; F496-L498 VanDerWaalsContact C-N 3.28Å; F496-L498 PolarHBondContact O-N 3.13Å; F496-L499 WeakPolarHBondContact O-CB 3.24Å; F496-L499 PolarHBondContact O-N 3.39Å; F496-L499 VanDerWaalsContact O-N 3.14Å; F496-V500 HydrophobicContact CD2-CG2 4.16Å; F496-V500 HydrophobicContact CE1-CG2 4.17Å; F496-V500 HydrophobicContact CE2-CG2 3.65Å; F496-V500 HydrophobicContact CZ-CG2 3.65Å; F496-V500 WeakPolarHBondContact O-CG2 3.35Å; F496-V500 PolarHBondContact O-N 3.01Å; F496-L537 HydrophobicContact CE2-CD1 4.26Å; F496-L537 HydrophobicContact CZ-CD1 3.97Å
497	S	96	Very high	93.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-62.1	-37.4	-180	-55.3	0	0	0	0	111.8	L455 G493 A501	L455-S497 WeakPolarHBondContact CA-OG 3.13Å; L455-S497 PolarHBondContact N-OG 3.07Å; G493-S497 PolarHBondContact O-N 2.98Å; G493-S497 PolarHBondContact O-OG 3.4Å; G493-S497 VanDerWaalsContact O-OG 3.07Å; S497-A501 WeakPolarHBondContact O-CB 3.46Å; S497-A501 PolarHBondContact O-N 2.92Å
498	L	96.3	Very high	93.1	Very high	74 Å²	74	51.7 Å²	51.7	39%	0.387	32%	0.319	S	S	.	.	H	α-helix	trans	-65.7	-44.9	174.5	-176	66.1	0	0	0	111.4	F447 W494 F496 A501 L502	F447-L498 HydrophobicContact CE2-CD1 3.89Å; F447-L498 HydrophobicContact CZ-CD1 3.69Å; W494-L498 VanDerWaalsContact O-CB 3.22Å; W494-L498 WeakPolarHBondContact O-CB 3.36Å; W494-L498 PolarHBondContact O-N 3.44Å; F496-L498 VanDerWaalsContact C-N 3.28Å; F496-L498 PolarHBondContact O-N 3.13Å; L498-A501 PolarHBondContact O-N 2.9Å; L498-L502 HydrophobicContact CD1-CD1 4.05Å; L498-L502 HydrophobicContact CD1-CG 4.2Å; L498-L502 HydrophobicContact CD2-CD1 4.44Å; L498-L502 HydrophobicContact CG-CD1 3.81Å; L498-L502 HydrophobicContact CG-CG 4.34Å; L498-L502 WeakPolarHBondContact O-CB 3.29Å; L498-L502 WeakPolarHBondContact O-CG 3.49Å; L498-L502 PolarHBondContact O-N 3.32Å
499	L	95	Very high	92.9	Very high	104 Å²	104	49.5 Å²	49.5	55%	0.545	30%	0.301	S	S	.	.	H	α-helix	trans	-58.3	-50.6	177.3	177.5	64.4	0	0	0	111	G495 F496 A501 L502 L503	G495-L499 WeakPolarHBondContact O-CB 3.36Å; G495-L499 PolarHBondContact O-N 2.96Å; F496-L499 WeakPolarHBondContact O-CB 3.24Å; F496-L499 PolarHBondContact O-N 3.39Å; F496-L499 VanDerWaalsContact O-N 3.14Å; L499-A501 VanDerWaalsContact C-N 3.35Å; L499-A501 PolarHBondContact O-N 2.99Å; L499-L502 PolarHBondContact O-N 2.77Å; L499-L503 WeakPolarHBondContact O-CG 3.47Å; L499-L503 PolarHBondContact O-N 2.83Å; L499-L503 VanDerWaalsContact O-N 3.15Å
500	V	94	Very high	92.7	Very high	9 Å²	9	47.5 Å²	47.5	6%	0.055	29%	0.294	C	S	.	.	H	α-helix	trans	-60.9	-43.3	-179.4	176.5	0	0	0	0	111.3	V450 E454 F496 L502 L503 P504 Y530 V534	V450-V500 HydrophobicContact CG1-CG1 3.84Å; E454-V500 HydrophobicContact CG-CG1 4.21Å; F496-V500 HydrophobicContact CD2-CG2 4.16Å; F496-V500 HydrophobicContact CE1-CG2 4.17Å; F496-V500 HydrophobicContact CE2-CG2 3.65Å; F496-V500 HydrophobicContact CZ-CG2 3.65Å; F496-V500 WeakPolarHBondContact O-CG2 3.35Å; F496-V500 PolarHBondContact O-N 3.01Å; V500-L502 VanDerWaalsContact C-N 3.34Å; V500-L502 PolarHBondContact O-N 3.27Å; V500-L503 PolarHBondContact O-N 3Å; V500-P504 VanDerWaalsContact O-CD 3.32Å; V500-P504 WeakPolarHBondContact O-CD 3.46Å; V500-Y530 HydrophobicContact CG1-CE2 4.18Å; V500-Y530 PolarHBondContact O-OH 3.49Å; V500-Y530 VanDerWaalsContact O-OH 3.1Å; V500-V534 HydrophobicContact CG1-CG2 3.73Å
501	A	94.5	Very high	92.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-70.1	-25.8	178.5	0	0	0	0	0	114.2	F447 V450 F451 S497 L498 L499 Y511	F447-A501 HydrophobicContact CD2-CB 3.69Å; F447-A501 HydrophobicContact CE2-CB 3.75Å; F447-A501 HydrophobicContact CG-CB 4.47Å; V450-A501 HydrophobicContact CB-CB 4.27Å; V450-A501 HydrophobicContact CG1-CB 4.13Å; F451-A501 HydrophobicContact CB-CB 3.74Å; S497-A501 WeakPolarHBondContact O-CB 3.46Å; S497-A501 PolarHBondContact O-N 2.92Å; L498-A501 PolarHBondContact O-N 2.9Å; L499-A501 VanDerWaalsContact C-N 3.35Å; L499-A501 PolarHBondContact O-N 2.99Å; A501-Y511 PolarHBondContact O-OH 2.65Å; A501-Y511 VanDerWaalsContact O-OH 3.05Å
502	L	94.5	Very high	91.8	Very high	71 Å²	71	46.2 Å²	46.2	37%	0.372	28%	0.281	S	S	.	.	H	α-helix	trans	-81.4	-26.1	177.4	-73	174.7	0	0	0	113.1	F447 L498 L499 V500 L505 V506	F447-L502 HydrophobicContact CD2-CD2 4.26Å; F447-L502 HydrophobicContact CE2-CD2 3.85Å; F447-L502 HydrophobicContact CE2-CG 4.13Å; L498-L502 HydrophobicContact CD1-CD1 4.05Å; L498-L502 HydrophobicContact CD1-CG 4.2Å; L498-L502 HydrophobicContact CD2-CD1 4.44Å; L498-L502 HydrophobicContact CG-CD1 3.81Å; L498-L502 HydrophobicContact CG-CG 4.34Å; L498-L502 WeakPolarHBondContact O-CB 3.29Å; L498-L502 WeakPolarHBondContact O-CG 3.49Å; L498-L502 PolarHBondContact O-N 3.32Å; L499-L502 PolarHBondContact O-N 2.77Å; V500-L502 VanDerWaalsContact C-N 3.34Å; V500-L502 PolarHBondContact O-N 3.27Å; L502-L505 HydrophobicContact CD2-CD1 4.15Å; L502-L505 WeakPolarHBondContact O-CB 3.27Å; L502-L505 PolarHBondContact O-N 3.41Å; L502-V506 PolarHBondContact O-N 3.47Å
503	L	91.9	Very high	91	Very high	51 Å²	51	47.2 Å²	47.2	27%	0.267	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-43.6	-175.9	-77.9	168.9	0	0	0	113.9	L499 V500 L505 V506 V508 Y530	L499-L503 WeakPolarHBondContact O-CG 3.47Å; L499-L503 PolarHBondContact O-N 2.83Å; L499-L503 VanDerWaalsContact O-N 3.15Å; V500-L503 PolarHBondContact O-N 3Å; L503-L505 VanDerWaalsContact C-N 3.28Å; L503-L505 PolarHBondContact O-N 2.97Å; L503-V506 WeakPolarHBondContact O-CG2 3.36Å; L503-V506 PolarHBondContact O-N 3.04Å; L503-V508 HydrophobicContact CB-CB 4.39Å; L503-V508 HydrophobicContact CD2-CG2 3.96Å; L503-V508 WeakPolarHBondContact O-CB 3.4Å; L503-V508 PolarHBondContact O-N 3.28Å; L503-Y530 HydrophobicContact CB-CD2 4.17Å; L503-Y530 HydrophobicContact CB-CE2 3.83Å; L503-Y530 HydrophobicContact CD1-CD2 4.09Å; L503-Y530 HydrophobicContact CD1-CE2 3.99Å
504	P	91	Very high	90.2	Very high	8 Å²	8	47.8 Å²	47.8	5%	0.052	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-20.9	175.5	-20.9	35.5	0	0	0	113.9	V500 S509 Y511 P519 Y530	V500-P504 VanDerWaalsContact O-CD 3.32Å; V500-P504 WeakPolarHBondContact O-CD 3.46Å; P504-S509 WeakPolarHBondContact CA-O 3.23Å; P504-Y511 HydrophobicContact CB-CD1 4.32Å; P504-Y511 HydrophobicContact CB-CD2 3.94Å; P504-Y511 HydrophobicContact CB-CE1 3.97Å; P504-Y511 HydrophobicContact CB-CE2 3.57Å; P504-Y511 HydrophobicContact CB-CG 4.31Å; P504-Y511 HydrophobicContact CG-CE1 3.91Å; P504-Y511 HydrophobicContact CG-CE2 4.02Å; P504-Y511 WeakPolarHBondContact CG-OH 3.22Å; P504-P519 HydrophobicContact CG-CB 4.35Å; P504-Y530 HydrophobicContact CG-CE1 3.82Å; P504-Y530 HydrophobicContact CG-CE2 4.24Å; P504-Y530 WeakPolarHBondContact CG-OH 2.96Å
505	L	89.6	Confident	89.3	Confident	77 Å²	77	43.8 Å²	43.8	40%	0.403	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-29.3	175.7	-62.4	179.2	0	0	0	112.6	F447 L502 L503 G507 Y511	F447-L505 HydrophobicContact CB-CD1 4.27Å; F447-L505 HydrophobicContact CD2-CD1 3.98Å; F447-L505 HydrophobicContact CG-CD1 4.46Å; L502-L505 HydrophobicContact CD2-CD1 4.15Å; L502-L505 WeakPolarHBondContact O-CB 3.27Å; L502-L505 PolarHBondContact O-N 3.41Å; L503-L505 VanDerWaalsContact C-N 3.28Å; L503-L505 PolarHBondContact O-N 2.97Å; L505-G507 VanDerWaalsContact C-N 3.28Å; L505-Y511 HydrophobicContact CD2-CD2 3.87Å; L505-Y511 HydrophobicContact CD2-CE2 3.92Å; L505-Y511 HydrophobicContact CG-CE2 4.08Å
506	V	89.8	Confident	88.5	Confident	112 Å²	112	42 Å²	42	68%	0.679	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	4.1	176.3	-61.4	0	0	0	0	113.4	L502 L503 V508	L502-V506 PolarHBondContact O-N 3.47Å; L503-V506 WeakPolarHBondContact O-CG2 3.36Å; L503-V506 PolarHBondContact O-N 3.04Å; V506-V508 HydrophobicContact CG2-CG2 4.24Å
507	G	84.3	Confident	88.1	Confident	64 Å²	64	38.6 Å²	38.6	66%	0.66	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.5	13.5	172.5	0	0	0	0	0	116	L505	L505-G507 VanDerWaalsContact C-N 3.28Å
508	V	87.1	Confident	87.5	Confident	59 Å²	59	39.4 Å²	39.4	36%	0.358	23%	0.233	S	C	.	.	S	Bend	trans	-74	-31.4	171.9	177.5	0	0	0	0	111.5	L503 V506 S527	L503-V508 HydrophobicContact CB-CB 4.39Å; L503-V508 HydrophobicContact CD2-CG2 3.96Å; L503-V508 WeakPolarHBondContact O-CB 3.4Å; L503-V508 PolarHBondContact O-N 3.28Å; V506-V508 HydrophobicContact CG2-CG2 4.24Å; V508-S527 WeakPolarHBondContact O-CA 3.45Å; V508-S527 PolarHBondContact O-N 3.24Å
509	S	88.7	Confident	86.9	Confident	9 Å²	9	36.7 Å²	36.7	6%	0.063	22%	0.22	C	C	.	.	S	Bend	trans	-144.2	-175.1	173.8	-172.5	0	0	0	0	109	P504	P504-S509 WeakPolarHBondContact CA-O 3.23Å
510	S	87.4	Confident	85.8	Confident	31 Å²	31	34 Å²	34	22%	0.217	21%	0.205	C	C	.	.			trans	-135.5	132.6	-179.6	-175.9	0	0	0	0	112.1	S512	S510-S512 PolarHBondContact OG-N 3.44Å
511	Y	88.1	Confident	85	Confident	5 Å²	5	34.3 Å²	34.3	2%	0.02	21%	0.206	C	C	.	.	S	Bend	trans	-82.4	-15.2	169.1	-65.9	-54.3	0	0	0	112.7	C442 G446 V450 A501 P504 L505 K513 C517 P519	C442-Y511 PolarHBondContact SG-O 2.98Å; G446-Y511 VanDerWaalsContact C-CZ 3.46Å; G446-Y511 PolarHBondContact O-OH 3.44Å; V450-Y511 HydrophobicContact CG2-CE1 3.77Å; A501-Y511 PolarHBondContact O-OH 2.65Å; A501-Y511 VanDerWaalsContact O-OH 3.05Å; P504-Y511 HydrophobicContact CB-CD1 4.32Å; P504-Y511 HydrophobicContact CB-CD2 3.94Å; P504-Y511 HydrophobicContact CB-CE1 3.97Å; P504-Y511 HydrophobicContact CB-CE2 3.57Å; P504-Y511 HydrophobicContact CB-CG 4.31Å; P504-Y511 HydrophobicContact CG-CE1 3.91Å; P504-Y511 HydrophobicContact CG-CE2 4.02Å; P504-Y511 WeakPolarHBondContact CG-OH 3.22Å; L505-Y511 HydrophobicContact CD2-CD2 3.87Å; L505-Y511 HydrophobicContact CD2-CE2 3.92Å; L505-Y511 HydrophobicContact CG-CE2 4.08Å; Y511-K513 VanDerWaalsContact C-N 3.31Å; Y511-K513 PolarHBondContact O-N 3.45Å; Y511-C517 VanDerWaalsContact CD1-O 3.32Å; Y511-C517 WeakPolarHBondContact CD1-O 3.36Å; Y511-C517 WeakPolarHBondContact O-CA 3.31Å; Y511-P519 HydrophobicContact CD1-CB 3.96Å; Y511-P519 HydrophobicContact CD1-CG 4.3Å; Y511-P519 HydrophobicContact CE1-CB 3.79Å; Y511-P519 HydrophobicContact CE1-CG 3.82Å
512	S	83.6	Confident	84.1	Confident	35 Å²	35	36.2 Å²	36.2	25%	0.245	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-9.4	-170.4	-57	0	0	0	0	114.2	Q437 S510	Q437-S512 WeakPolarHBondContact O-CB 3.46Å; Q437-S512 PolarHBondContact O-OG 2.9Å; S510-S512 PolarHBondContact OG-N 3.44Å
513	K	77.6	Confident	83.2	Confident	81 Å²	81	38.6 Å²	38.6	35%	0.352	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-41.2	-174.3	-70.8	-72.8	-176.9	163	0	113.4	N354 Y511 D521 D523	N354-K513 PolarHBondContact ND2-O 2.99Å; N354-K513 VanDerWaalsContact ND2-O 3.16Å; Y511-K513 VanDerWaalsContact C-N 3.31Å; Y511-K513 PolarHBondContact O-N 3.45Å; K513-D521 WeakPolarHBondContact CE-OD2 3.09Å; K513-D521 HydrophobicContact CG-CB 3.88Å; K513-D523 IonicContact NZ-OD2 3.98Å; K513-D523 PolarHBondContact NZ-OD2 2.68Å
514	V	77.3	Confident	82.8	Confident	13 Å²	13	39.8 Å²	39.8	8%	0.079	24%	0.238	C	C	.	.	S	Bend	trans	-108.2	138.5	-178.2	-176.5	0	0	0	0	109.2	F353 I516 C517 M520	F353-V514 HydrophobicContact CB-CG2 4.41Å; F353-V514 HydrophobicContact CD1-CG2 4.07Å; V514-I516 HydrophobicContact CG1-CB 4.41Å; V514-I516 PolarHBondContact O-N 3.31Å; V514-C517 PolarHBondContact O-N 2.92Å; V514-M520 HydrophobicContact CG2-CB 3.88Å; V514-M520 HydrophobicContact CG2-CG 4.34Å
515	S	76.8	Confident	82.5	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.021	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-27.7	179.5	61.9	0	0	0	0	115.2	L359 Y429 W436 C517 K608	L359-S515 VanDerWaalsContact CD1-O 3.27Å; L359-S515 WeakPolarHBondContact CD1-O 2.91Å; Y429-S515 WeakPolarHBondContact OH-CB 3.39Å; W436-S515 PolarHBondContact NE1-O 3.47Å; S515-C517 VanDerWaalsContact C-N 3.33Å; S515-K608 PolarHBondContact OG-NZ 3.39Å
516	I	80.1	Confident	82.3	Confident	5 Å²	5	43 Å²	43	3%	0.026	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-0.6	-179.8	-58.2	165.1	0	0	0	112.2	Y414 V514 L518 K608 I612	Y414-I516 WeakPolarHBondContact OH-CG2 3.47Å; Y414-I516 PolarHBondContact OH-O 3.39Å; V514-I516 HydrophobicContact CG1-CB 4.41Å; V514-I516 PolarHBondContact O-N 3.31Å; I516-L518 HydrophobicContact CG2-CD1 4.09Å; I516-L518 HydrophobicContact CG2-CG 4.46Å; I516-K608 HydrophobicContact CD1-CB 4.29Å; I516-K608 HydrophobicContact CD1-CD 4.39Å; I516-K608 HydrophobicContact CD1-CG 4.04Å; I516-I612 HydrophobicContact CD1-CD1 3.71Å; I516-I612 HydrophobicContact CD1-CG1 3.89Å; I516-I612 HydrophobicContact CG1-CD1 4.5Å
517	C	87.3	Confident	82.1	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	24%	0.237	C	C	.	.			trans	69.2	31	173	-50.8	0	0	0	0	115.7	C442 A445 G446 Y511 V514 S515	C442-C517 WeakPolarHBondContact CA-SG 3.24Å; C442-C517 HydrophobicContact CB-CB 4.16Å; C442-C517 WeakPolarHBondContact CB-SG 3.35Å; C442-C517 WeakPolarHBondContact O-CB 3.44Å; C442-C517 VanDerWaalsContact SG-CA 3.54Å; C442-C517 WeakPolarHBondContact SG-CB 3.2Å; C442-C517 CovalentContact SG-SG 2.03Å; C442-C517 PolarHBondContact SG-SG 3.29Å; A445-C517 HydrophobicContact CB-CB 3.92Å; G446-C517 WeakPolarHBondContact CA-O 3.32Å; Y511-C517 VanDerWaalsContact CD1-O 3.32Å; Y511-C517 WeakPolarHBondContact CD1-O 3.36Å; Y511-C517 WeakPolarHBondContact O-CA 3.31Å; V514-C517 PolarHBondContact O-N 2.92Å; S515-C517 VanDerWaalsContact C-N 3.33Å
518	L	83.5	Confident	82.2	Confident	17 Å²	17	37.6 Å²	37.6	9%	0.089	22%	0.22	C	C	.	.			trans	-92.6	145.3	174.9	-70.5	161.2	0	0	0	111.1	T449 I516 M520 L611	T449-L518 HydrophobicContact CG2-CD2 3.87Å; I516-L518 HydrophobicContact CG2-CD1 4.09Å; I516-L518 HydrophobicContact CG2-CG 4.46Å; L518-M520 VanDerWaalsContact C-N 3.3Å; L518-M520 HydrophobicContact CB-CG 4.11Å; L518-M520 PolarHBondContact O-N 2.8Å; L518-L611 HydrophobicContact CD1-CD1 4.08Å; L518-L611 HydrophobicContact CD1-CD2 3.19Å; L518-L611 HydrophobicContact CD1-CG 4.26Å
519	P	82.7	Confident	82.2	Confident	17 Å²	17	39.2 Å²	39.2	11%	0.11	23%	0.229	C	C	.	.			trans	-77.7	84.3	179.5	33.8	-32.7	0	0	0	109.1	V450 P504 Y511 Y530 V531	V450-P519 HydrophobicContact CG2-CG 3.9Å; P504-P519 HydrophobicContact CG-CB 4.35Å; Y511-P519 HydrophobicContact CD1-CB 3.96Å; Y511-P519 HydrophobicContact CD1-CG 4.3Å; Y511-P519 HydrophobicContact CE1-CB 3.79Å; Y511-P519 HydrophobicContact CE1-CG 3.82Å; P519-Y530 HydrophobicContact CB-CE1 3.82Å; P519-Y530 HydrophobicContact CG-CE1 4.05Å; P519-V531 WeakPolarHBondContact O-CG2 3.41Å
520	M	72.8	Confident	82.3	Confident	48 Å²	48	39.4 Å²	39.4	24%	0.236	23%	0.229	C	C	.	.			trans	-113.8	20	178.9	-64.2	-66.3	-70.3	0	0	111.7	V514 L518 I522 A592	V514-M520 HydrophobicContact CG2-CB 3.88Å; V514-M520 HydrophobicContact CG2-CG 4.34Å; L518-M520 VanDerWaalsContact C-N 3.3Å; L518-M520 HydrophobicContact CB-CG 4.11Å; L518-M520 PolarHBondContact O-N 2.8Å; M520-I522 PolarHBondContact O-N 3.35Å; M520-A592 HydrophobicContact CE-CB 4.07Å; M520-A592 HydrophobicContact SD-CB 4.46Å
521	D	76.4	Confident	82.2	Confident	15 Å²	15	38.5 Å²	38.5	8%	0.08	22%	0.222	C	C	.	.			trans	-72	115.6	-179.9	-165.5	-13.7	0	0	0	111	K513 D523 S527	K513-D521 WeakPolarHBondContact CE-OD2 3.09Å; K513-D521 HydrophobicContact CG-CB 3.88Å; D521-D523 PolarHBondContact OD1-N 2.67Å; D521-S527 CarbonylContact O-C 3.43Å; D521-S527 WeakPolarHBondContact O-CB 3.05Å; D521-S527 PolarHBondContact O-OG 3.01Å
522	I	74.8	Confident	82.1	Confident	39 Å²	39	40.7 Å²	40.7	20%	0.2	23%	0.233	C	C	.	.			trans	-117.3	9.6	178.9	60.9	168.2	0	0	0	112.7	M520	M520-I522 PolarHBondContact O-N 3.35Å
523	D	76.5	Confident	82.3	Confident	122 Å²	122	41.1 Å²	41.1	65%	0.652	24%	0.239	S	C	*	.	S	Bend	trans	-73.7	-33	-176.1	-68.4	-27.4	0	0	0	111.5	K513 D521	K513-D523 IonicContact NZ-OD2 3.98Å; K513-D523 PolarHBondContact NZ-OD2 2.68Å; D521-D523 PolarHBondContact OD1-N 2.67Å
524	T	84.4	Confident	82.8	Confident	75 Å²	75	38.3 Å²	38.3	46%	0.46	23%	0.228	S	C	.	.	S	Bend	trans	-105.8	148.4	179.3	74.4	0	0	0	0	111.4	G526 S527 Q528	T524-G526 PolarHBondContact O-N 3.35Å; T524-S527 PolarHBondContact N-OG 3.27Å; T524-S527 PolarHBondContact O-N 3.09Å; T524-S527 PolarHBondContact O-OG 3.3Å; T524-S527 VanDerWaalsContact OG1-CB 3.24Å; T524-S527 WeakPolarHBondContact OG1-CB 3.47Å; T524-S527 PolarHBondContact OG1-N 3.09Å; T524-S527 VanDerWaalsContact OG1-N 3.09Å; T524-S527 PolarHBondContact OG1-OG 3.26Å; T524-Q528 WeakPolarHBondContact O-CB 3.14Å; T524-Q528 PolarHBondContact O-N 3.35Å
525	T	84.9	Confident	83.1	Confident	111 Å²	111	38.6 Å²	38.6	68%	0.681	23%	0.229	S	C	*	.	H	α-helix	trans	-60.2	-37	175.9	-46.8	0	0	0	0	111.6	V529	T525-V529 WeakPolarHBondContact O-CB 3.45Å; T525-V529 VanDerWaalsContact O-CG2 3.26Å; T525-V529 WeakPolarHBondContact O-CG2 3.42Å; T525-V529 PolarHBondContact O-N 3.04Å
526	G	85.4	Confident	83.5	Confident	42 Å²	42	43 Å²	43	43%	0.433	25%	0.252	S	S	.	.	H	α-helix	trans	-63.7	-47.3	177.5	0	0	0	0	0	112.7	T524 V529 Y530	T524-G526 PolarHBondContact O-N 3.35Å; G526-V529 PolarHBondContact O-N 3.22Å; G526-Y530 PolarHBondContact O-N 3.4Å
527	S	84.9	Confident	83.8	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-66.9	-40	178.7	67.5	0	0	0	0	111.8	V508 D521 T524 V529 Y530 V531	V508-S527 WeakPolarHBondContact O-CA 3.45Å; V508-S527 PolarHBondContact O-N 3.24Å; D521-S527 CarbonylContact O-C 3.43Å; D521-S527 WeakPolarHBondContact O-CB 3.05Å; D521-S527 PolarHBondContact O-OG 3.01Å; T524-S527 PolarHBondContact N-OG 3.27Å; T524-S527 PolarHBondContact O-N 3.09Å; T524-S527 PolarHBondContact O-OG 3.3Å; T524-S527 VanDerWaalsContact OG1-CB 3.24Å; T524-S527 WeakPolarHBondContact OG1-CB 3.47Å; T524-S527 PolarHBondContact OG1-N 3.09Å; T524-S527 VanDerWaalsContact OG1-N 3.09Å; T524-S527 PolarHBondContact OG1-OG 3.26Å; S527-V529 PolarHBondContact O-N 3.37Å; S527-Y530 WeakPolarHBondContact O-CB 3.32Å; S527-Y530 PolarHBondContact O-N 3.49Å; S527-V531 WeakPolarHBondContact O-CG2 3.19Å; S527-V531 PolarHBondContact O-N 3.31Å
528	Q	85.1	Confident	83.6	Confident	62 Å²	62	48.1 Å²	48.1	29%	0.29	28%	0.279	S	S	.	.	H	α-helix	trans	-61.1	-45.5	175.2	-172.5	-178.1	3.6	0	0	112.2	T524 Y530 V531 M532	T524-Q528 WeakPolarHBondContact O-CB 3.14Å; T524-Q528 PolarHBondContact O-N 3.35Å; Q528-Y530 VanDerWaalsContact C-N 3.33Å; Q528-Y530 PolarHBondContact O-N 3.02Å; Q528-V531 PolarHBondContact O-N 3.31Å; Q528-M532 WeakPolarHBondContact O-CB 3.32Å; Q528-M532 VanDerWaalsContact O-CG 3.31Å; Q528-M532 WeakPolarHBondContact O-CG 3.39Å; Q528-M532 PolarHBondContact O-N 3.37Å
529	V	88.4	Confident	83.6	Confident	93 Å²	93	50.2 Å²	50.2	56%	0.564	29%	0.292	S	S	*	.	H	α-helix	trans	-61.7	-42.6	176.7	168.9	0	0	0	0	110.8	T525 G526 S527 M532 A533	T525-V529 WeakPolarHBondContact O-CB 3.45Å; T525-V529 VanDerWaalsContact O-CG2 3.26Å; T525-V529 WeakPolarHBondContact O-CG2 3.42Å; T525-V529 PolarHBondContact O-N 3.04Å; G526-V529 PolarHBondContact O-N 3.22Å; S527-V529 PolarHBondContact O-N 3.37Å; V529-M532 PolarHBondContact O-N 3.3Å; V529-A533 VanDerWaalsContact O-CB 3.26Å; V529-A533 WeakPolarHBondContact O-CB 3.48Å; V529-A533 PolarHBondContact O-N 3.45Å
530	Y	90.3	Very high	83.8	Confident	14 Å²	14	53 Å²	53	6%	0.055	31%	0.309	C	S	.	.	H	α-helix	trans	-58.9	-52.3	176.2	167.5	-91.8	0	0	0	111.9	V500 L503 P504 P519 G526 S527 Q528 M532 A533 V534	V500-Y530 HydrophobicContact CG1-CE2 4.18Å; V500-Y530 PolarHBondContact O-OH 3.49Å; V500-Y530 VanDerWaalsContact O-OH 3.1Å; L503-Y530 HydrophobicContact CB-CD2 4.17Å; L503-Y530 HydrophobicContact CB-CE2 3.83Å; L503-Y530 HydrophobicContact CD1-CD2 4.09Å; L503-Y530 HydrophobicContact CD1-CE2 3.99Å; P504-Y530 HydrophobicContact CG-CE1 3.82Å; P504-Y530 HydrophobicContact CG-CE2 4.24Å; P504-Y530 WeakPolarHBondContact CG-OH 2.96Å; P519-Y530 HydrophobicContact CB-CE1 3.82Å; P519-Y530 HydrophobicContact CG-CE1 4.05Å; G526-Y530 PolarHBondContact O-N 3.4Å; S527-Y530 WeakPolarHBondContact O-CB 3.32Å; S527-Y530 PolarHBondContact O-N 3.49Å; Q528-Y530 VanDerWaalsContact C-N 3.33Å; Q528-Y530 PolarHBondContact O-N 3.02Å; Y530-M532 VanDerWaalsContact C-N 3.33Å; Y530-M532 PolarHBondContact O-N 3.24Å; Y530-A533 PolarHBondContact O-N 2.85Å; Y530-V534 HydrophobicContact CD2-CG2 4.39Å; Y530-V534 HydrophobicContact CE1-CG2 4.26Å; Y530-V534 HydrophobicContact CE2-CG2 3.94Å; Y530-V534 WeakPolarHBondContact O-CG2 3.11Å; Y530-V534 PolarHBondContact O-N 3.44Å
531	V	85.8	Confident	84.5	Confident	11 Å²	11	51.7 Å²	51.7	7%	0.067	31%	0.305	C	S	.	.	H	α-helix	trans	-60	-45.5	-178.9	175.4	0	0	0	0	110.6	P519 S527 Q528 A533 V534 L535	P519-V531 WeakPolarHBondContact O-CG2 3.41Å; S527-V531 WeakPolarHBondContact O-CG2 3.19Å; S527-V531 PolarHBondContact O-N 3.31Å; Q528-V531 PolarHBondContact O-N 3.31Å; V531-A533 PolarHBondContact O-N 3.06Å; V531-V534 PolarHBondContact O-N 3.19Å; V531-L535 HydrophobicContact CG1-CD1 3.99Å; V531-L535 VanDerWaalsContact O-CG 3.27Å; V531-L535 WeakPolarHBondContact O-CG 3.29Å; V531-L535 PolarHBondContact O-N 3.43Å
532	M	85	Confident	84.8	Confident	52 Å²	52	53.4 Å²	53.4	26%	0.256	31%	0.312	S	S	.	.	H	α-helix	trans	-64.4	-40.2	178	-70.1	-59.2	-71.4	0	0	112.7	Q528 V529 Y530 L535 I536 A596	Q528-M532 WeakPolarHBondContact O-CB 3.32Å; Q528-M532 VanDerWaalsContact O-CG 3.31Å; Q528-M532 WeakPolarHBondContact O-CG 3.39Å; Q528-M532 PolarHBondContact O-N 3.37Å; V529-M532 PolarHBondContact O-N 3.3Å; Y530-M532 VanDerWaalsContact C-N 3.33Å; Y530-M532 PolarHBondContact O-N 3.24Å; M532-L535 PolarHBondContact O-N 3.4Å; M532-L535 HydrophobicContact SD-CD1 4.3Å; M532-I536 WeakPolarHBondContact O-CB 3.4Å; M532-I536 WeakPolarHBondContact O-CD1 3.35Å; M532-I536 WeakPolarHBondContact O-CG1 3.18Å; M532-I536 PolarHBondContact O-N 3.28Å; M532-A596 HydrophobicContact CE-CB 4.39Å; M532-A596 HydrophobicContact CG-CB 4.3Å; M532-A596 HydrophobicContact SD-CB 3.3Å; M532-A596 WeakPolarHBondContact SD-CB 3.03Å
533	A	88.7	Confident	85.3	Confident	44 Å²	44	56.5 Å²	56.5	36%	0.364	33%	0.328	S	S	.	.	H	α-helix	trans	-61.8	-46	177.6	0	0	0	0	0	111.7	V529 Y530 V531 L535 I536 L537	V529-A533 VanDerWaalsContact O-CB 3.26Å; V529-A533 WeakPolarHBondContact O-CB 3.48Å; V529-A533 PolarHBondContact O-N 3.45Å; Y530-A533 PolarHBondContact O-N 2.85Å; V531-A533 PolarHBondContact O-N 3.06Å; A533-L535 PolarHBondContact O-N 3.42Å; A533-I536 PolarHBondContact O-N 3.19Å; A533-L537 WeakPolarHBondContact O-CB 3.22Å; A533-L537 WeakPolarHBondContact O-CD1 3.2Å; A533-L537 WeakPolarHBondContact O-CG 3.42Å; A533-L537 PolarHBondContact O-N 3.43Å
534	V	87.3	Confident	85.8	Confident	22 Å²	22	53.5 Å²	53.5	13%	0.133	31%	0.314	C	S	.	.	H	α-helix	trans	-61.8	-43	177.2	173.6	0	0	0	0	111.4	E454 V500 Y530 V531 L537 N538	E454-V534 WeakPolarHBondContact OE1-CG1 3.3Å; V500-V534 HydrophobicContact CG1-CG2 3.73Å; Y530-V534 HydrophobicContact CD2-CG2 4.39Å; Y530-V534 HydrophobicContact CE1-CG2 4.26Å; Y530-V534 HydrophobicContact CE2-CG2 3.94Å; Y530-V534 WeakPolarHBondContact O-CG2 3.11Å; Y530-V534 PolarHBondContact O-N 3.44Å; V531-V534 PolarHBondContact O-N 3.19Å; V534-L537 PolarHBondContact O-N 3.06Å; V534-N538 PolarHBondContact O-N 3.31Å; V534-N538 VanDerWaalsContact O-N 3.1Å; V534-N538 PolarHBondContact O-ND2 3.27Å
535	L	83.3	Confident	85.8	Confident	19 Å²	19	50.4 Å²	50.4	10%	0.099	30%	0.295	C	S	.	.	H	α-helix	trans	-64.2	-44.7	176.8	-67.7	169.4	0	0	0	112.4	V531 M532 A533 L537 N538 V539 A592 I593	V531-L535 HydrophobicContact CG1-CD1 3.99Å; V531-L535 VanDerWaalsContact O-CG 3.27Å; V531-L535 WeakPolarHBondContact O-CG 3.29Å; V531-L535 PolarHBondContact O-N 3.43Å; M532-L535 PolarHBondContact O-N 3.4Å; M532-L535 HydrophobicContact SD-CD1 4.3Å; A533-L535 PolarHBondContact O-N 3.42Å; L535-L537 VanDerWaalsContact C-N 3.33Å; L535-L537 PolarHBondContact O-N 3.33Å; L535-N538 PolarHBondContact O-N 3.31Å; L535-V539 WeakPolarHBondContact O-CG2 3.44Å; L535-V539 PolarHBondContact O-N 3.09Å; L535-A592 HydrophobicContact CD1-CB 3.42Å; L535-A592 VanDerWaalsContact CD1-CB 3.42Å; L535-A592 HydrophobicContact CD2-CB 3.66Å; L535-A592 HydrophobicContact CG-CB 4.15Å; L535-I593 HydrophobicContact CD1-CG1 4.46Å
536	I	85.8	Confident	85.7	Confident	95 Å²	95	47.2 Å²	47.2	49%	0.487	28%	0.277	S	S	.	.	H	α-helix	trans	-63.2	-42.3	178.6	-70.1	165.4	0	0	0	110.4	M532 A533 N538 V539 V540	M532-I536 WeakPolarHBondContact O-CB 3.4Å; M532-I536 WeakPolarHBondContact O-CD1 3.35Å; M532-I536 WeakPolarHBondContact O-CG1 3.18Å; M532-I536 PolarHBondContact O-N 3.28Å; A533-I536 PolarHBondContact O-N 3.19Å; I536-N538 VanDerWaalsContact C-N 3.31Å; I536-N538 PolarHBondContact O-N 3.18Å; I536-V539 PolarHBondContact O-N 3.11Å; I536-V540 HydrophobicContact CG2-CG2 4.28Å; I536-V540 WeakPolarHBondContact O-CG2 3.2Å; I536-V540 PolarHBondContact O-N 3.18Å
537	L	86.9	Confident	85.7	Confident	82 Å²	82	51.1 Å²	51.1	43%	0.429	28%	0.282	S	S	.	.	H	α-helix	trans	-59.6	-42.4	176.8	-74.5	164.5	0	0	0	111.6	F496 A533 V534 L535 V540 A541	F496-L537 HydrophobicContact CE2-CD1 4.26Å; F496-L537 HydrophobicContact CZ-CD1 3.97Å; A533-L537 WeakPolarHBondContact O-CB 3.22Å; A533-L537 WeakPolarHBondContact O-CD1 3.2Å; A533-L537 WeakPolarHBondContact O-CG 3.42Å; A533-L537 PolarHBondContact O-N 3.43Å; V534-L537 PolarHBondContact O-N 3.06Å; L535-L537 VanDerWaalsContact C-N 3.33Å; L535-L537 PolarHBondContact O-N 3.33Å; L537-V540 PolarHBondContact O-N 2.99Å; L537-A541 WeakPolarHBondContact O-CB 3.41Å; L537-A541 PolarHBondContact O-N 3.43Å
538	N	83.2	Confident	85.7	Confident	31 Å²	31	51.1 Å²	51.1	17%	0.166	28%	0.282	C	S	.	.	H	α-helix	trans	-64	-40.7	175.6	-78.6	-49.8	0	0	0	112.7	E454 V534 L535 I536 A541 F542	E454-N538 PolarHBondContact OE1-ND2 3.3Å; V534-N538 PolarHBondContact O-N 3.31Å; V534-N538 VanDerWaalsContact O-N 3.1Å; V534-N538 PolarHBondContact O-ND2 3.27Å; L535-N538 PolarHBondContact O-N 3.31Å; I536-N538 VanDerWaalsContact C-N 3.31Å; I536-N538 PolarHBondContact O-N 3.18Å; N538-A541 PolarHBondContact O-N 3.31Å; N538-F542 PolarHBondContact O-N 2.86Å
539	V	83.3	Confident	85.4	Confident	61 Å²	61	49.7 Å²	49.7	37%	0.37	27%	0.274	S	S	.	.	H	α-helix	trans	-64	-43.8	174	173.3	0	0	0	0	111.4	L535 I536 F542 L543	L535-V539 WeakPolarHBondContact O-CG2 3.44Å; L535-V539 PolarHBondContact O-N 3.09Å; I536-V539 PolarHBondContact O-N 3.11Å; V539-F542 WeakPolarHBondContact O-CB 3.41Å; V539-F542 PolarHBondContact O-N 3.35Å; V539-L543 HydrophobicContact CG1-CD1 4.42Å; V539-L543 WeakPolarHBondContact O-CG 3.45Å; V539-L543 PolarHBondContact O-N 3.47Å
540	V	87.6	Confident	85.1	Confident	76 Å²	76	49.3 Å²	49.3	46%	0.461	27%	0.272	S	S	.	.	H	α-helix	trans	-62.4	-44.5	177.4	170.7	0	0	0	0	110.8	I536 L537 F542 L543 V544	I536-V540 HydrophobicContact CG2-CG2 4.28Å; I536-V540 WeakPolarHBondContact O-CG2 3.2Å; I536-V540 PolarHBondContact O-N 3.18Å; L537-V540 PolarHBondContact O-N 2.99Å; V540-F542 VanDerWaalsContact C-N 3.3Å; V540-F542 PolarHBondContact O-N 3.42Å; V540-L543 PolarHBondContact O-N 3.44Å; V540-V544 WeakPolarHBondContact O-CG2 3.3Å; V540-V544 PolarHBondContact O-N 3.04Å
541	A	85.8	Confident	84.7	Confident	19 Å²	19	49.9 Å²	49.9	16%	0.157	28%	0.278	C	S	.	.	H	α-helix	trans	-57.2	-44	175.9	0	0	0	0	0	111.7	V457 T461 L537 N538 V544 V545	V457-A541 HydrophobicContact CG1-CB 3.63Å; T461-A541 HydrophobicContact CG2-CB 3.78Å; L537-A541 WeakPolarHBondContact O-CB 3.41Å; L537-A541 PolarHBondContact O-N 3.43Å; N538-A541 PolarHBondContact O-N 3.31Å; A541-V544 PolarHBondContact O-N 3.13Å; A541-V545 WeakPolarHBondContact O-CG2 3.24Å; A541-V545 PolarHBondContact O-N 3.36Å
542	F	82.6	Confident	84.3	Confident	52 Å²	52	49.6 Å²	49.6	23%	0.228	28%	0.276	C	S	.	.	H	α-helix	trans	-61.9	-42.9	175.3	175	-105	0	0	0	113	N538 V539 V540 V544 V545 C546 I578 F582	N538-F542 PolarHBondContact O-N 2.86Å; V539-F542 WeakPolarHBondContact O-CB 3.41Å; V539-F542 PolarHBondContact O-N 3.35Å; V540-F542 VanDerWaalsContact C-N 3.3Å; V540-F542 PolarHBondContact O-N 3.42Å; F542-V544 PolarHBondContact O-N 2.93Å; F542-V545 PolarHBondContact O-N 2.91Å; F542-C546 VanDerWaalsContact CE1-SG 3.57Å; F542-C546 VanDerWaalsContact CE2-SG 3.51Å; F542-C546 WeakPolarHBondContact CZ-SG 3.41Å; F542-C546 PolarHBondContact O-N 3.43Å; F542-C546 PolarHBondContact O-SG 3.48Å; F542-C546 VanDerWaalsContact O-SG 3.37Å; F542-I578 HydrophobicContact CE2-CG2 4.19Å; F542-F582 AromaticContact CD1-CD2 3.97Å; F542-F582 HydrophobicContact CD1-CD2 3.97Å; F542-F582 HydrophobicContact CD1-CE2 4.07Å; F542-F582 HydrophobicContact CD2-CB 4.1Å; F542-F582 AromaticContact CD2-CD2 3.72Å; F542-F582 HydrophobicContact CD2-CD2 3.72Å; F542-F582 HydrophobicContact CD2-CG 4.23Å; F542-F582 AromaticContact CE1-CD2 3.53Å; F542-F582 HydrophobicContact CE1-CD2 3.53Å; F542-F582 AromaticContact CE1-CE2 3.5Å; F542-F582 HydrophobicContact CE1-CE2 3.5Å; F542-F582 HydrophobicContact CE1-CG 4.31Å; F542-F582 HydrophobicContact CE1-CZ 4.29Å; F542-F582 HydrophobicContact CE2-CB 3.46Å; F542-F582 VanDerWaalsContact CE2-CB 3.46Å; F542-F582 HydrophobicContact CE2-CD1 4.45Å; F542-F582 AromaticContact CE2-CD2 3.28Å; F542-F582 HydrophobicContact CE2-CD2 3.28Å; F542-F582 HydrophobicContact CE2-CE2 4.14Å; F542-F582 AromaticContact CE2-CG 3.47Å; F542-F582 HydrophobicContact CE2-CG 3.47Å; F542-F582 VanDerWaalsContact CE2-CG 3.47Å; F542-F582 HydrophobicContact CG-CD2 4.05Å; F542-F582 HydrophobicContact CZ-CB 4.02Å; F542-F582 HydrophobicContact CZ-CD1 4.15Å; F542-F582 AromaticContact CZ-CD2 3.14Å; F542-F582 HydrophobicContact CZ-CD2 3.14Å; F542-F582 HydrophobicContact CZ-CE1 4.47Å; F542-F582 AromaticContact CZ-CE2 3.53Å; F542-F582 HydrophobicContact CZ-CE2 3.53Å; F542-F582 AromaticContact CZ-CG 3.49Å; F542-F582 HydrophobicContact CZ-CG 3.49Å; F542-F582 VanDerWaalsContact CZ-CG 3.49Å; F542-F582 HydrophobicContact CZ-CZ 4.19Å
543	L	86.1	Confident	83.9	Confident	104 Å²	104	54.5 Å²	54.5	55%	0.545	29%	0.293	S	S	.	.	H	α-helix	trans	-63.1	-40.9	176.9	-69.2	176	0	0	0	112	V539 V540 C546 F547	V539-L543 HydrophobicContact CG1-CD1 4.42Å; V539-L543 WeakPolarHBondContact O-CG 3.45Å; V539-L543 PolarHBondContact O-N 3.47Å; V540-L543 PolarHBondContact O-N 3.44Å; L543-C546 PolarHBondContact O-N 3.44Å; L543-F547 WeakPolarHBondContact O-CB 3.46Å; L543-F547 PolarHBondContact O-N 3.48Å
544	V	87.1	Confident	83.4	Confident	59 Å²	59	57.1 Å²	57.1	36%	0.358	30%	0.3	S	S	.	.	H	α-helix	trans	-61.2	-45.4	175.2	171.5	0	0	0	0	110.8	V540 A541 F542 F547 C548	V540-V544 WeakPolarHBondContact O-CG2 3.3Å; V540-V544 PolarHBondContact O-N 3.04Å; A541-V544 PolarHBondContact O-N 3.13Å; F542-V544 PolarHBondContact O-N 2.93Å; V544-F547 PolarHBondContact O-N 3.48Å; V544-C548 PolarHBondContact O-N 2.84Å; V544-C548 PolarHBondContact O-SG 2.68Å
545	V	83.7	Confident	82.7	Confident	10 Å²	10	57 Å²	57	6%	0.061	30%	0.3	C	S	.	.	H	α-helix	trans	-61	-47	177	167.4	0	0	0	0	111.2	T461 A541 F542 F547 C548 Y549 I578	T461-V545 HydrophobicContact CG2-CG2 3.64Å; A541-V545 WeakPolarHBondContact O-CG2 3.24Å; A541-V545 PolarHBondContact O-N 3.36Å; F542-V545 PolarHBondContact O-N 2.91Å; V545-F547 PolarHBondContact O-N 3.37Å; V545-C548 PolarHBondContact O-N 2.92Å; V545-Y549 HydrophobicContact CG1-CD2 4.49Å; V545-Y549 WeakPolarHBondContact O-CD2 3.27Å; V545-Y549 PolarHBondContact O-N 3.16Å; V545-Y549 VanDerWaalsContact O-N 3.07Å; V545-I578 HydrophobicContact CG1-CB 4.32Å; V545-I578 HydrophobicContact CG1-CD1 3.22Å; V545-I578 HydrophobicContact CG1-CG1 3.57Å; V545-I578 HydrophobicContact CG1-CG2 3.78Å
546	C	83.4	Confident	82.2	Confident	43 Å²	43	58.1 Å²	58.1	29%	0.291	31%	0.308	S	S	.	.	H	α-helix	trans	-57.2	-47.6	175	-74.9	0	0	0	0	112	F542 L543 C548 Y549 V550	F542-C546 VanDerWaalsContact CE1-SG 3.57Å; F542-C546 VanDerWaalsContact CE2-SG 3.51Å; F542-C546 WeakPolarHBondContact CZ-SG 3.41Å; F542-C546 PolarHBondContact O-N 3.43Å; F542-C546 PolarHBondContact O-SG 3.48Å; F542-C546 VanDerWaalsContact O-SG 3.37Å; L543-C546 PolarHBondContact O-N 3.44Å; C546-C548 PolarHBondContact O-N 3.2Å; C546-Y549 PolarHBondContact O-N 3.01Å; C546-Y549 VanDerWaalsContact O-N 3.14Å; C546-V550 WeakPolarHBondContact O-CG2 3.47Å; C546-V550 PolarHBondContact O-N 3.41Å
547	F	86.6	Confident	81.5	Confident	124 Å²	124	60.4 Å²	60.4	54%	0.544	32%	0.316	S	S	.	.	H	α-helix	trans	-58.9	-46	177.8	174.5	-98.3	0	0	0	112.1	L543 V544 V545 Y549 V550 C551	L543-F547 WeakPolarHBondContact O-CB 3.46Å; L543-F547 PolarHBondContact O-N 3.48Å; V544-F547 PolarHBondContact O-N 3.48Å; V545-F547 PolarHBondContact O-N 3.37Å; F547-Y549 PolarHBondContact O-N 3.45Å; F547-V550 PolarHBondContact O-N 2.88Å; F547-C551 VanDerWaalsContact CZ-SG 3.59Å; F547-C551 PolarHBondContact O-N 3.41Å; F547-C551 PolarHBondContact O-SG 3.44Å
548	C	83.9	Confident	80.7	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.007	32%	0.316	C	S	.	.	H	α-helix	trans	-58.2	-38.6	176.5	-66.8	0	0	0	0	111.7	L465 W468 V544 V545 C546 C551 I552	L465-C548 WeakPolarHBondContact CD2-SG 3.42Å; W468-C548 HydrophobicContact CB-CB 4.42Å; V544-C548 PolarHBondContact O-N 2.84Å; V544-C548 PolarHBondContact O-SG 2.68Å; V545-C548 PolarHBondContact O-N 2.92Å; C546-C548 PolarHBondContact O-N 3.2Å; C548-C551 WeakPolarHBondContact O-CB 3.2Å; C548-C551 PolarHBondContact O-N 3.04Å; C548-I552 VanDerWaalsContact O-CG1 3.25Å; C548-I552 WeakPolarHBondContact O-CG1 3.39Å; C548-I552 PolarHBondContact O-N 3.3Å
549	Y	78.3	Confident	79.6	Confident	31 Å²	31	64.3 Å²	64.3	12%	0.122	34%	0.344	C	S	.	.	H	α-helix	trans	-72.7	-39.2	179.7	-93.6	-106.9	0	0	0	113.8	V545 C546 F547 C551 I552 Y553 M574 A575 I578	V545-Y549 HydrophobicContact CG1-CD2 4.49Å; V545-Y549 WeakPolarHBondContact O-CD2 3.27Å; V545-Y549 PolarHBondContact O-N 3.16Å; V545-Y549 VanDerWaalsContact O-N 3.07Å; C546-Y549 PolarHBondContact O-N 3.01Å; C546-Y549 VanDerWaalsContact O-N 3.14Å; F547-Y549 PolarHBondContact O-N 3.45Å; Y549-C551 PolarHBondContact O-N 3.27Å; Y549-I552 HydrophobicContact CD2-CD1 4.34Å; Y549-I552 HydrophobicContact CE2-CD1 4.37Å; Y549-I552 PolarHBondContact O-N 3.28Å; Y549-Y553 WeakPolarHBondContact O-CB 3.45Å; Y549-Y553 PolarHBondContact O-N 3.33Å; Y549-M574 HydrophobicContact CE1-CB 3.85Å; Y549-M574 WeakPolarHBondContact OH-CA 3.33Å; Y549-M574 WeakPolarHBondContact OH-CB 3.46Å; Y549-M574 WeakPolarHBondContact OH-CE 3.37Å; Y549-M574 PolarHBondContact OH-O 3.37Å; Y549-A575 HydrophobicContact CD1-CB 4.28Å; Y549-A575 HydrophobicContact CE1-CB 4.03Å; Y549-I578 HydrophobicContact CD1-CD1 4.03Å; Y549-I578 HydrophobicContact CD2-CD1 3.27Å; Y549-I578 HydrophobicContact CE1-CD1 3.66Å; Y549-I578 HydrophobicContact CE2-CD1 2.92Å; Y549-I578 HydrophobicContact CE2-CG1 4.28Å; Y549-I578 HydrophobicContact CG-CD1 3.79Å; Y549-I578 WeakPolarHBondContact OH-CD1 3.28Å
550	V	82.6	Confident	78.4	Confident	85 Å²	85	70.1 Å²	70.1	52%	0.515	37%	0.367	S	S	.	.	H	α-helix	trans	-57.9	-44.8	171	174.3	0	0	0	0	109.3	C546 F547 I552 Y553 L554	C546-V550 WeakPolarHBondContact O-CG2 3.47Å; C546-V550 PolarHBondContact O-N 3.41Å; F547-V550 PolarHBondContact O-N 2.88Å; V550-I552 PolarHBondContact O-N 3.1Å; V550-Y553 PolarHBondContact O-N 2.88Å; V550-L554 HydrophobicContact CG1-CD1 4Å; V550-L554 HydrophobicContact CG1-CG 4.42Å; V550-L554 VanDerWaalsContact O-CG 3.26Å; V550-L554 WeakPolarHBondContact O-CG 3.27Å; V550-L554 PolarHBondContact O-N 3.07Å
551	C	82	Confident	77	Confident	26 Å²	26	71.4 Å²	71.4	18%	0.176	37%	0.368	C	S	.	.	H	α-helix	trans	-62.8	-42.6	176.5	-64.1	0	0	0	0	113	W468 F547 C548 Y549 S555	W468-C551 HydrophobicContact CG-CB 4.46Å; F547-C551 VanDerWaalsContact CZ-SG 3.59Å; F547-C551 PolarHBondContact O-N 3.41Å; F547-C551 PolarHBondContact O-SG 3.44Å; C548-C551 WeakPolarHBondContact O-CB 3.2Å; C548-C551 PolarHBondContact O-N 3.04Å; Y549-C551 PolarHBondContact O-N 3.27Å; C551-S555 VanDerWaalsContact O-CB 3.29Å; C551-S555 WeakPolarHBondContact O-CB 3.48Å; C551-S555 PolarHBondContact O-N 3.01Å
552	I	77.3	Confident	75.5	Confident	5 Å²	5	73.9 Å²	73.9	3%	0.026	39%	0.388	C	S	.	.	H	α-helix	trans	-61.4	-45.9	174.4	-70.1	162.5	0	0	0	110.6	R467 W468 I471 C548 Y549 V550 S555 V556	R467-I552 HydrophobicContact CB-CD1 4.35Å; W468-I552 HydrophobicContact CB-CD1 3.93Å; W468-I552 HydrophobicContact CB-CG1 3.78Å; W468-I552 HydrophobicContact CG-CG1 4.33Å; I471-I552 HydrophobicContact CD1-CG1 4.47Å; I471-I552 HydrophobicContact CD1-CG2 3.89Å; C548-I552 VanDerWaalsContact O-CG1 3.25Å; C548-I552 WeakPolarHBondContact O-CG1 3.39Å; C548-I552 PolarHBondContact O-N 3.3Å; Y549-I552 HydrophobicContact CD2-CD1 4.34Å; Y549-I552 HydrophobicContact CE2-CD1 4.37Å; Y549-I552 PolarHBondContact O-N 3.28Å; V550-I552 PolarHBondContact O-N 3.1Å; I552-S555 PolarHBondContact O-N 2.99Å; I552-V556 HydrophobicContact CG2-CG2 4.26Å; I552-V556 WeakPolarHBondContact O-CB 3.26Å; I552-V556 VanDerWaalsContact O-CG2 3.29Å; I552-V556 WeakPolarHBondContact O-CG2 3.37Å; I552-V556 PolarHBondContact O-N 3.15Å
553	Y	75.9	Confident	74.1	Confident	155 Å²	155	77.9 Å²	77.9	61%	0.608	42%	0.417	S	S	*	.	H	α-helix	trans	-60.5	-47.6	-179.8	179.1	-95.4	0	0	0	111.3	Y549 V550 S555 V556 H557	Y549-Y553 WeakPolarHBondContact O-CB 3.45Å; Y549-Y553 PolarHBondContact O-N 3.33Å; V550-Y553 PolarHBondContact O-N 2.88Å; Y553-S555 VanDerWaalsContact C-N 3.34Å; Y553-S555 PolarHBondContact O-N 3.37Å; Y553-V556 PolarHBondContact O-N 3.39Å; Y553-H557 WeakPolarHBondContact O-CB 3.37Å; Y553-H557 PolarHBondContact O-N 3.04Å
554	L	78.4	Confident	72.6	Confident	99 Å²	99	81.6 Å²	81.6	52%	0.518	42%	0.424	S	S	.	.	H	α-helix	trans	-60.6	-43.4	174.9	-67.1	172.8	0	0	0	111.3	V550 V556 H557 N558	V550-L554 HydrophobicContact CG1-CD1 4Å; V550-L554 HydrophobicContact CG1-CG 4.42Å; V550-L554 VanDerWaalsContact O-CG 3.26Å; V550-L554 WeakPolarHBondContact O-CG 3.27Å; V550-L554 PolarHBondContact O-N 3.07Å; L554-V556 VanDerWaalsContact C-N 3.33Å; L554-V556 PolarHBondContact O-N 3.04Å; L554-H557 PolarHBondContact O-N 2.88Å; L554-N558 VanDerWaalsContact O-CG 3.32Å; L554-N558 PolarHBondContact O-N 3.5Å; L554-N558 VanDerWaalsContact O-N 3.17Å; L554-N558 PolarHBondContact O-ND2 3.1Å
555	S	73.5	Confident	71.1	Confident	20 Å²	20	87.2 Å²	87.2	14%	0.14	45%	0.445	C	S	.	.	H	α-helix	trans	-64.6	-33.3	178.5	-170.8	0	0	0	0	113.5	C551 I552 Y553	C551-S555 VanDerWaalsContact O-CB 3.29Å; C551-S555 WeakPolarHBondContact O-CB 3.48Å; C551-S555 PolarHBondContact O-N 3.01Å; I552-S555 PolarHBondContact O-N 2.99Å; Y553-S555 VanDerWaalsContact C-N 3.34Å; Y553-S555 PolarHBondContact O-N 3.37Å
556	V	71.9	Confident	69.9	Low	43 Å²	43	88.5 Å²	88.5	26%	0.261	46%	0.461	S	S	.	.	H	α-helix	trans	-81.5	-28.3	179.5	171.6	0	0	0	0	111.9	I471 I552 Y553 L554 T568	I471-V556 HydrophobicContact CG2-CG2 4.37Å; I552-V556 HydrophobicContact CG2-CG2 4.26Å; I552-V556 WeakPolarHBondContact O-CB 3.26Å; I552-V556 VanDerWaalsContact O-CG2 3.29Å; I552-V556 WeakPolarHBondContact O-CG2 3.37Å; I552-V556 PolarHBondContact O-N 3.15Å; Y553-V556 PolarHBondContact O-N 3.39Å; L554-V556 VanDerWaalsContact C-N 3.33Å; L554-V556 PolarHBondContact O-N 3.04Å; V556-T568 HydrophobicContact CG1-CG2 3.61Å
557	H	71	Confident	68.9	Low	142 Å²	142	89 Å²	89	66%	0.657	46%	0.461	S	S	*	.	H	α-helix	trans	-87.8	-7.1	179.2	-157.2	56.9	0	0	0	113.7	Y553 L554	Y553-H557 WeakPolarHBondContact O-CB 3.37Å; Y553-H557 PolarHBondContact O-N 3.04Å; L554-H557 PolarHBondContact O-N 2.88Å
558	N	70.5	Confident	67.7	Low	82 Å²	82	86.3 Å²	86.3	44%	0.439	46%	0.455	S	S	.	.			trans	-68.6	124.1	176.7	-86.4	-27.9	0	0	0	111.4	L554 E560 H561	L554-N558 VanDerWaalsContact O-CG 3.32Å; L554-N558 PolarHBondContact O-N 3.5Å; L554-N558 VanDerWaalsContact O-N 3.17Å; L554-N558 PolarHBondContact O-ND2 3.1Å; N558-E560 VanDerWaalsContact C-N 3.33Å; N558-E560 PolarHBondContact O-N 2.83Å; N558-H561 PolarHBondContact O-N 3Å; N558-H561 VanDerWaalsContact O-N 3.16Å
559	P	59.9	Low	66.9	Low	113 Å²	113	93.7 Å²	93.7	73%	0.734	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-68.3	-24.6	-172.7	23.8	-32.2	0	0	0	114.4	H561	P559-H561 PolarHBondContact O-N 3.43Å
560	E	58.7	Low	66.2	Low	183 Å²	183	96.1 Å²	96.1	86%	0.855	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-67.4	-20.2	174.2	-84.1	-170.6	143.4	0	0	113.9	N558	N558-E560 VanDerWaalsContact C-N 3.33Å; N558-E560 PolarHBondContact O-N 2.83Å
561	H	58.7	Low	65.3	Low	104 Å²	104	93.2 Å²	93.2	48%	0.481	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-112.4	5.8	-172.4	-66.1	64.5	0	0	0	112.7	N558 P559 T563	N558-H561 PolarHBondContact O-N 3Å; N558-H561 VanDerWaalsContact O-N 3.16Å; P559-H561 PolarHBondContact O-N 3.43Å; H561-T563 PolarHBondContact O-N 3.05Å
562	A	53.8	Low	64.7	Low	70 Å²	70	99.6 Å²	99.6	58%	0.579	51%	0.51	S	S	*	.			trans	-79.5	74.2	-170.9	0	0	0	0	0	113.3
563	T	52.1	Low	64.3	Low	137 Å²	137	105 Å²	105	84%	0.84	53%	0.531	S	S	*	.			trans	-124.9	6.8	172.2	48.8	0	0	0	0	115.8	H561	H561-T563 PolarHBondContact O-N 3.05Å
564	R	56	Low	63.8	Low	182 Å²	182	97.9 Å²	97.9	69%	0.687	50%	0.503	S	S	*	.			trans	-136	98.6	179.6	-90.9	177.7	151.7	-174.1	-5.7	115.3	G566 D567	R564-G566 PolarHBondContact O-N 2.88Å; R564-D567 WeakPolarHBondContact CB-OD2 3.37Å; R564-D567 WeakPolarHBondContact CD-OD2 3.39Å; R564-D567 PolarHBondContact O-N 2.89Å; R564-D567 VanDerWaalsContact O-N 3.16Å
565	H	55.1	Low	63.3	Low	176 Å²	176	95.3 Å²	95.3	82%	0.815	50%	0.496	S	S	*	.	H	α-helix	trans	-57.3	-10.2	164.1	-86.9	-66.9	0	0	0	114.9	T568	H565-T568 PolarHBondContact O-OG1 3.47Å
566	G	58.6	Low	63.2	Low	38 Å²	38	97.3 Å²	97.3	39%	0.392	51%	0.507	S	S	.	.	H	α-helix	trans	-77.2	-31.5	175.2	0	0	0	0	0	113.7	R564 K569 I570	R564-G566 PolarHBondContact O-N 2.88Å; G566-K569 PolarHBondContact O-N 3.31Å; G566-I570 WeakPolarHBondContact O-CG1 2.91Å; G566-I570 PolarHBondContact O-N 3.42Å
567	D	61.8	Low	63	Low	53 Å²	53	95.4 Å²	95.4	28%	0.283	50%	0.495	S	S	.	.	H	α-helix	trans	-78.5	-29	-169.6	-61.9	-22	0	0	0	111.6	R564 I570 A571	R564-D567 WeakPolarHBondContact CB-OD2 3.37Å; R564-D567 WeakPolarHBondContact CD-OD2 3.39Å; R564-D567 PolarHBondContact O-N 2.89Å; R564-D567 VanDerWaalsContact O-N 3.16Å; D567-I570 PolarHBondContact O-N 3.29Å; D567-A571 WeakPolarHBondContact O-CB 3.46Å; D567-A571 PolarHBondContact O-N 3.4Å
568	T	62.7	Low	62.9	Low	68 Å²	68	89.4 Å²	89.4	42%	0.417	47%	0.468	S	S	.	.	H	α-helix	trans	-66.9	-37.3	172.3	49.9	0	0	0	0	113.1	V556 H565 I570 K572	V556-T568 HydrophobicContact CG1-CG2 3.61Å; H565-T568 PolarHBondContact O-OG1 3.47Å; T568-I570 VanDerWaalsContact C-N 3.31Å; T568-K572 WeakPolarHBondContact O-CB 3.4Å; T568-K572 PolarHBondContact O-N 3.5Å
569	K	65.8	Low	63	Low	156 Å²	156	91.7 Å²	91.7	68%	0.678	47%	0.474	S	S	*	.	H	α-helix	trans	-68.4	-33.2	175.5	-71.8	-178.9	-177.6	174	0	112	G566 R573	G566-K569 PolarHBondContact O-N 3.31Å; K569-R573 WeakPolarHBondContact O-CG 3.46Å; K569-R573 PolarHBondContact O-N 2.66Å
570	I	64.6	Low	63.8	Low	82 Å²	82	87.9 Å²	87.9	42%	0.421	45%	0.449	S	S	.	.	H	α-helix	trans	-73	-50.4	176.3	-64.4	166	0	0	0	109.1	G566 D567 T568 K572 R573 M574	G566-I570 WeakPolarHBondContact O-CG1 2.91Å; G566-I570 PolarHBondContact O-N 3.42Å; D567-I570 PolarHBondContact O-N 3.29Å; T568-I570 VanDerWaalsContact C-N 3.31Å; I570-K572 VanDerWaalsContact C-N 3.29Å; I570-K572 PolarHBondContact O-N 3.2Å; I570-R573 PolarHBondContact O-N 2.89Å; I570-R573 VanDerWaalsContact O-N 3.07Å; I570-M574 HydrophobicContact CG2-CG 4.23Å; I570-M574 HydrophobicContact CG2-SD 4.3Å; I570-M574 WeakPolarHBondContact O-CB 3.46Å; I570-M574 VanDerWaalsContact O-CG 3.25Å; I570-M574 WeakPolarHBondContact O-CG 3.1Å; I570-M574 PolarHBondContact O-N 3.46Å
571	A	63.8	Low	64.4	Low	24 Å²	24	80 Å²	80	20%	0.198	41%	0.412	C	S	.	.	H	α-helix	trans	-55.7	-38.6	176.8	0	0	0	0	0	113.2	D567 M574 A575	D567-A571 WeakPolarHBondContact O-CB 3.46Å; D567-A571 PolarHBondContact O-N 3.4Å; A571-M574 WeakPolarHBondContact O-CB 3.33Å; A571-M574 PolarHBondContact O-N 3.04Å; A571-A575 WeakPolarHBondContact O-CB 3.39Å; A571-A575 PolarHBondContact O-N 3.19Å
572	K	68.6	Low	65.2	Low	159 Å²	159	78.4 Å²	78.4	69%	0.691	40%	0.404	S	S	*	.	H	α-helix	trans	-64	-42.2	175.3	-173.4	174.5	-178.9	174.2	0	113	T568 I570 M574 A575 V576	T568-K572 WeakPolarHBondContact O-CB 3.4Å; T568-K572 PolarHBondContact O-N 3.5Å; I570-K572 VanDerWaalsContact C-N 3.29Å; I570-K572 PolarHBondContact O-N 3.2Å; K572-M574 VanDerWaalsContact C-N 3.33Å; K572-A575 PolarHBondContact O-N 3.5Å; K572-V576 WeakPolarHBondContact O-CG2 3.4Å; K572-V576 PolarHBondContact O-N 2.64Å
573	R	68.2	Low	66.2	Low	120 Å²	120	79 Å²	79	45%	0.453	40%	0.396	S	S	.	.	H	α-helix	trans	-67	-38.6	176.9	-71.3	174.3	178.1	-150.9	-7.8	111.7	K569 I570 L577	K569-R573 WeakPolarHBondContact O-CG 3.46Å; K569-R573 PolarHBondContact O-N 2.66Å; I570-R573 PolarHBondContact O-N 2.89Å; I570-R573 VanDerWaalsContact O-N 3.07Å; R573-L577 PolarHBondContact O-N 2.78Å
574	M	66.1	Low	67.1	Low	5 Å²	5	72.8 Å²	72.8	3%	0.025	36%	0.358	C	S	.	.	H	α-helix	trans	-62.4	-40.3	174.3	-75.3	-149.7	72.1	0	0	111.8	I463 R467 Y549 I570 A571 K572 L577 Y626	I463-M574 HydrophobicContact CG2-CE 3.85Å; R467-M574 HydrophobicContact CB-CE 3.75Å; R467-M574 HydrophobicContact CB-SD 3.91Å; R467-M574 WeakPolarHBondContact CD-SD 3.28Å; R467-M574 HydrophobicContact CG-CE 3.36Å; R467-M574 HydrophobicContact CG-SD 3.54Å; R467-M574 VanDerWaalsContact CG-SD 3.54Å; Y549-M574 HydrophobicContact CE1-CB 3.85Å; Y549-M574 WeakPolarHBondContact OH-CA 3.33Å; Y549-M574 WeakPolarHBondContact OH-CB 3.46Å; Y549-M574 WeakPolarHBondContact OH-CE 3.37Å; Y549-M574 PolarHBondContact OH-O 3.37Å; I570-M574 HydrophobicContact CG2-CG 4.23Å; I570-M574 HydrophobicContact CG2-SD 4.3Å; I570-M574 WeakPolarHBondContact O-CB 3.46Å; I570-M574 VanDerWaalsContact O-CG 3.25Å; I570-M574 WeakPolarHBondContact O-CG 3.1Å; I570-M574 PolarHBondContact O-N 3.46Å; A571-M574 WeakPolarHBondContact O-CB 3.33Å; A571-M574 PolarHBondContact O-N 3.04Å; K572-M574 VanDerWaalsContact C-N 3.33Å; M574-L577 PolarHBondContact O-N 3Å; M574-Y626 VanDerWaalsContact CE-OH 3.24Å; M574-Y626 WeakPolarHBondContact CE-OH 2.95Å; M574-Y626 VanDerWaalsContact CG-OH 3.28Å; M574-Y626 WeakPolarHBondContact CG-OH 3.41Å
575	A	67.5	Low	67.8	Low	44 Å²	44	65.9 Å²	65.9	36%	0.364	33%	0.334	S	S	.	.	H	α-helix	trans	-71.8	-35.4	179.7	0	0	0	0	0	112.9	Y549 A571 K572 L577 I578 F579	Y549-A575 HydrophobicContact CD1-CB 4.28Å; Y549-A575 HydrophobicContact CE1-CB 4.03Å; A571-A575 WeakPolarHBondContact O-CB 3.39Å; A571-A575 PolarHBondContact O-N 3.19Å; K572-A575 PolarHBondContact O-N 3.5Å; A575-L577 VanDerWaalsContact C-N 3.3Å; A575-L577 PolarHBondContact O-N 3.08Å; A575-I578 PolarHBondContact O-N 3.18Å; A575-F579 PolarHBondContact O-N 3.43Å; A575-F579 VanDerWaalsContact O-N 3.07Å
576	V	71.9	Confident	68.6	Low	62 Å²	62	59 Å²	59	38%	0.376	31%	0.308	S	S	.	.	H	α-helix	trans	-60.4	-41.3	175.4	171	0	0	0	0	111.2	K572 I578 F579 T580 L625	K572-V576 WeakPolarHBondContact O-CG2 3.4Å; K572-V576 PolarHBondContact O-N 2.64Å; V576-I578 PolarHBondContact O-N 2.98Å; V576-F579 PolarHBondContact O-N 3.31Å; V576-T580 HydrophobicContact CG1-CG2 4.43Å; V576-T580 WeakPolarHBondContact O-CG2 3.48Å; V576-T580 PolarHBondContact O-N 2.87Å; V576-T580 PolarHBondContact O-OG1 2.91Å; V576-T580 VanDerWaalsContact O-OG1 3.08Å; V576-L625 HydrophobicContact CG1-CD1 4.29Å; V576-L625 HydrophobicContact CG1-CD2 3.75Å
577	L	67.4	Low	69.2	Low	3 Å²	3	58.8 Å²	58.8	2%	0.016	30%	0.3	C	S	.	.	H	α-helix	trans	-62.9	-39.9	179.6	178.4	146.1	0	0	0	112.8	L460 R573 M574 A575 T580 D581 Y626	L460-L577 HydrophobicContact CD1-CD2 4.01Å; L460-L577 HydrophobicContact CD2-CD1 4.21Å; L460-L577 HydrophobicContact CD2-CD2 3.36Å; L460-L577 HydrophobicContact CD2-CG 4.39Å; L460-L577 HydrophobicContact CG-CD2 4.25Å; R573-L577 PolarHBondContact O-N 2.78Å; M574-L577 PolarHBondContact O-N 3Å; A575-L577 VanDerWaalsContact C-N 3.3Å; A575-L577 PolarHBondContact O-N 3.08Å; L577-T580 WeakPolarHBondContact CA-OG1 3.14Å; L577-T580 PolarHBondContact O-N 3.48Å; L577-T580 PolarHBondContact O-OG1 3.3Å; L577-D581 WeakPolarHBondContact O-CB 3.32Å; L577-D581 PolarHBondContact O-N 3.43Å; L577-Y626 HydrophobicContact CB-CD2 4.24Å; L577-Y626 HydrophobicContact CB-CE2 3.6Å; L577-Y626 HydrophobicContact CD1-CD2 3.34Å; L577-Y626 HydrophobicContact CD1-CE2 3.24Å; L577-Y626 HydrophobicContact CD1-CG 4.34Å; L577-Y626 HydrophobicContact CG-CD2 4.38Å; L577-Y626 HydrophobicContact CG-CE2 3.93Å
578	I	69.8	Low	69.7	Low	17 Å²	17	57.5 Å²	57.5	9%	0.087	29%	0.292	C	S	.	.	H	α-helix	trans	-71.2	-40.1	178.9	-69.1	165.3	0	0	0	111.1	F542 V545 Y549 A575 V576 T580 D581 F582	F542-I578 HydrophobicContact CE2-CG2 4.19Å; V545-I578 HydrophobicContact CG1-CB 4.32Å; V545-I578 HydrophobicContact CG1-CD1 3.22Å; V545-I578 HydrophobicContact CG1-CG1 3.57Å; V545-I578 HydrophobicContact CG1-CG2 3.78Å; Y549-I578 HydrophobicContact CD1-CD1 4.03Å; Y549-I578 HydrophobicContact CD2-CD1 3.27Å; Y549-I578 HydrophobicContact CE1-CD1 3.66Å; Y549-I578 HydrophobicContact CE2-CD1 2.92Å; Y549-I578 HydrophobicContact CE2-CG1 4.28Å; Y549-I578 HydrophobicContact CG-CD1 3.79Å; Y549-I578 WeakPolarHBondContact OH-CD1 3.28Å; A575-I578 PolarHBondContact O-N 3.18Å; V576-I578 PolarHBondContact O-N 2.98Å; I578-T580 VanDerWaalsContact C-N 3.29Å; I578-T580 PolarHBondContact O-N 3.08Å; I578-D581 PolarHBondContact O-N 3.24Å; I578-F582 WeakPolarHBondContact O-CB 3.27Å; I578-F582 PolarHBondContact O-N 3.47Å
579	F	72.7	Confident	70.1	Confident	130 Å²	130	55.3 Å²	55.3	57%	0.57	28%	0.28	S	S	*	.	H	α-helix	trans	-62.9	-40.8	177.2	-176.1	-98.4	0	0	0	110.9	A575 V576 M583	A575-F579 PolarHBondContact O-N 3.43Å; A575-F579 VanDerWaalsContact O-N 3.07Å; V576-F579 PolarHBondContact O-N 3.31Å; F579-M583 HydrophobicContact CD1-CG 4.09Å; F579-M583 HydrophobicContact CD2-CG 4.48Å; F579-M583 HydrophobicContact CE1-CG 3.66Å; F579-M583 HydrophobicContact CE1-SD 4.44Å; F579-M583 HydrophobicContact CE2-CE 4.4Å; F579-M583 HydrophobicContact CE2-CG 4.09Å; F579-M583 HydrophobicContact CE2-SD 4.37Å; F579-M583 HydrophobicContact CG-CG 4.48Å; F579-M583 HydrophobicContact CZ-CG 3.66Å; F579-M583 HydrophobicContact CZ-SD 3.94Å; F579-M583 WeakPolarHBondContact O-CB 3.46Å; F579-M583 WeakPolarHBondContact O-CG 3.39Å; F579-M583 PolarHBondContact O-N 3.5Å
580	T	75.9	Confident	70.5	Confident	32 Å²	32	53.1 Å²	53.1	20%	0.196	27%	0.27	C	S	.	.	H	α-helix	trans	-65.9	-41.4	175.1	49.9	0	0	0	0	112.3	V576 L577 I578 C584 L625	V576-T580 HydrophobicContact CG1-CG2 4.43Å; V576-T580 WeakPolarHBondContact O-CG2 3.48Å; V576-T580 PolarHBondContact O-N 2.87Å; V576-T580 PolarHBondContact O-OG1 2.91Å; V576-T580 VanDerWaalsContact O-OG1 3.08Å; L577-T580 WeakPolarHBondContact CA-OG1 3.14Å; L577-T580 PolarHBondContact O-N 3.48Å; L577-T580 PolarHBondContact O-OG1 3.3Å; I578-T580 VanDerWaalsContact C-N 3.29Å; I578-T580 PolarHBondContact O-N 3.08Å; T580-C584 WeakPolarHBondContact O-CB 3.35Å; T580-C584 PolarHBondContact O-N 3.08Å; T580-C584 PolarHBondContact O-SG 3.3Å; T580-L625 HydrophobicContact CG2-CD1 4.29Å
581	D	72	Confident	70.7	Confident	17 Å²	17	51 Å²	51	9%	0.091	26%	0.258	C	S	.	.	H	α-helix	trans	-62.7	-47.4	176.6	-176.9	76.8	0	0	0	111.7	L460 L577 I578 C584 M585 N618	L460-D581 HydrophobicContact CD1-CB 4.19Å; L577-D581 WeakPolarHBondContact O-CB 3.32Å; L577-D581 PolarHBondContact O-N 3.43Å; I578-D581 PolarHBondContact O-N 3.24Å; D581-C584 PolarHBondContact O-N 3.28Å; D581-M585 WeakPolarHBondContact O-CB 3.34Å; D581-M585 WeakPolarHBondContact O-CG 3.42Å; D581-M585 PolarHBondContact O-N 3.26Å; D581-N618 WeakPolarHBondContact CA-OD1 3.23Å; D581-N618 PolarHBondContact OD1-ND2 3.08Å
582	F	74.1	Confident	70.9	Confident	72 Å²	72	50 Å²	50	32%	0.316	25%	0.25	S	S	.	.	H	α-helix	trans	-62.1	-46	176.5	176.9	-111.6	0	0	0	113	F542 I578 C584 M585 A586	F542-F582 AromaticContact CD1-CD2 3.97Å; F542-F582 HydrophobicContact CD1-CD2 3.97Å; F542-F582 HydrophobicContact CD1-CE2 4.07Å; F542-F582 HydrophobicContact CD2-CB 4.1Å; F542-F582 AromaticContact CD2-CD2 3.72Å; F542-F582 HydrophobicContact CD2-CD2 3.72Å; F542-F582 HydrophobicContact CD2-CG 4.23Å; F542-F582 AromaticContact CE1-CD2 3.53Å; F542-F582 HydrophobicContact CE1-CD2 3.53Å; F542-F582 AromaticContact CE1-CE2 3.5Å; F542-F582 HydrophobicContact CE1-CE2 3.5Å; F542-F582 HydrophobicContact CE1-CG 4.31Å; F542-F582 HydrophobicContact CE1-CZ 4.29Å; F542-F582 HydrophobicContact CE2-CB 3.46Å; F542-F582 VanDerWaalsContact CE2-CB 3.46Å; F542-F582 HydrophobicContact CE2-CD1 4.45Å; F542-F582 AromaticContact CE2-CD2 3.28Å; F542-F582 HydrophobicContact CE2-CD2 3.28Å; F542-F582 HydrophobicContact CE2-CE2 4.14Å; F542-F582 AromaticContact CE2-CG 3.47Å; F542-F582 HydrophobicContact CE2-CG 3.47Å; F542-F582 VanDerWaalsContact CE2-CG 3.47Å; F542-F582 HydrophobicContact CG-CD2 4.05Å; F542-F582 HydrophobicContact CZ-CB 4.02Å; F542-F582 HydrophobicContact CZ-CD1 4.15Å; F542-F582 AromaticContact CZ-CD2 3.14Å; F542-F582 HydrophobicContact CZ-CD2 3.14Å; F542-F582 HydrophobicContact CZ-CE1 4.47Å; F542-F582 AromaticContact CZ-CE2 3.53Å; F542-F582 HydrophobicContact CZ-CE2 3.53Å; F542-F582 AromaticContact CZ-CG 3.49Å; F542-F582 HydrophobicContact CZ-CG 3.49Å; F542-F582 VanDerWaalsContact CZ-CG 3.49Å; F542-F582 HydrophobicContact CZ-CZ 4.19Å; I578-F582 WeakPolarHBondContact O-CB 3.27Å; I578-F582 PolarHBondContact O-N 3.47Å; F582-C584 PolarHBondContact O-N 3.01Å; F582-M585 PolarHBondContact O-N 2.88Å; F582-A586 HydrophobicContact CD2-CB 4.4Å; F582-A586 HydrophobicContact CE1-CB 4.49Å; F582-A586 HydrophobicContact CE2-CB 4.07Å; F582-A586 HydrophobicContact CZ-CB 4.11Å; F582-A586 WeakPolarHBondContact O-CB 3.45Å; F582-A586 PolarHBondContact O-N 3.06Å
583	M	75.1	Confident	71.2	Confident	83 Å²	83	45.5 Å²	45.5	41%	0.409	23%	0.233	S	C	.	.	H	α-helix	trans	-62.4	-29.8	177	-73.5	-69.3	99.4	0	0	112.3	F579 P587	F579-M583 HydrophobicContact CD1-CG 4.09Å; F579-M583 HydrophobicContact CD2-CG 4.48Å; F579-M583 HydrophobicContact CE1-CG 3.66Å; F579-M583 HydrophobicContact CE1-SD 4.44Å; F579-M583 HydrophobicContact CE2-CE 4.4Å; F579-M583 HydrophobicContact CE2-CG 4.09Å; F579-M583 HydrophobicContact CE2-SD 4.37Å; F579-M583 HydrophobicContact CG-CG 4.48Å; F579-M583 HydrophobicContact CZ-CG 3.66Å; F579-M583 HydrophobicContact CZ-SD 3.94Å; F579-M583 WeakPolarHBondContact O-CB 3.46Å; F579-M583 WeakPolarHBondContact O-CG 3.39Å; F579-M583 PolarHBondContact O-N 3.5Å; M583-P587 VanDerWaalsContact O-CD 3.27Å; M583-P587 WeakPolarHBondContact O-CD 3.48Å
584	C	72.4	Confident	71.4	Confident	6 Å²	6	40.3 Å²	40.3	4%	0.041	22%	0.215	C	C	.	.	H	α-helix	trans	-77.4	-38.7	174.4	-65.5	0	0	0	0	112.1	T580 D581 F582 I588 F614 N618	T580-C584 WeakPolarHBondContact O-CB 3.35Å; T580-C584 PolarHBondContact O-N 3.08Å; T580-C584 PolarHBondContact O-SG 3.3Å; D581-C584 PolarHBondContact O-N 3.28Å; F582-C584 PolarHBondContact O-N 3.01Å; C584-I588 WeakPolarHBondContact O-CD1 3.46Å; C584-F614 WeakPolarHBondContact CB-O 3.2Å; C584-F614 PolarHBondContact SG-O 3.29Å; C584-N618 HydrophobicContact CB-CB 3.99Å
585	M	70.6	Confident	71.5	Confident	37 Å²	37	41.1 Å²	41.1	18%	0.182	22%	0.223	C	C	.	.	H	α-helix	trans	-86.4	-25.5	-175	-70.7	-61.4	-167.6	0	0	115.2	V457 D581 F582 I588 S589	V457-M585 HydrophobicContact CG2-CE 3.99Å; D581-M585 WeakPolarHBondContact O-CB 3.34Å; D581-M585 WeakPolarHBondContact O-CG 3.42Å; D581-M585 PolarHBondContact O-N 3.26Å; F582-M585 PolarHBondContact O-N 2.88Å; M585-I588 PolarHBondContact O-N 3.22Å; M585-I588 HydrophobicContact SD-CD1 4.29Å; M585-S589 PolarHBondContact O-N 3.49Å; M585-S589 PolarHBondContact O-OG 2.94Å
586	A	71.8	Confident	71.5	Confident	31 Å²	31	39.6 Å²	39.6	26%	0.256	21%	0.21	S	C	.	.	H	α-helix	trans	-62.6	-44.2	-177	0	0	0	0	0	113.5	F582 I588 S589 F590	F582-A586 HydrophobicContact CD2-CB 4.4Å; F582-A586 HydrophobicContact CE1-CB 4.49Å; F582-A586 HydrophobicContact CE2-CB 4.07Å; F582-A586 HydrophobicContact CZ-CB 4.11Å; F582-A586 WeakPolarHBondContact O-CB 3.45Å; F582-A586 PolarHBondContact O-N 3.06Å; A586-I588 PolarHBondContact O-N 3.42Å; A586-S589 PolarHBondContact O-N 2.88Å; A586-F590 WeakPolarHBondContact O-CB 3.4Å; A586-F590 PolarHBondContact O-N 2.9Å
587	P	70.9	Confident	71.5	Confident	34 Å²	34	42.3 Å²	42.3	22%	0.221	22%	0.221	C	C	.	.	H	α-helix	trans	-61.4	-43	176.6	-23.6	34.8	0	0	0	112.7	M583 F590 F591	M583-P587 VanDerWaalsContact O-CD 3.27Å; M583-P587 WeakPolarHBondContact O-CD 3.48Å; P587-F590 PolarHBondContact O-N 3.45Å; P587-F591 HydrophobicContact CB-CE2 4.18Å; P587-F591 WeakPolarHBondContact O-CD2 3.39Å; P587-F591 WeakPolarHBondContact O-CG 3.4Å; P587-F591 PolarHBondContact O-N 3.02Å
588	I	71.1	Confident	71.5	Confident	26 Å²	26	51.5 Å²	51.5	13%	0.133	26%	0.256	C	S	.	.	H	α-helix	trans	-63.9	-46.4	179.7	-61.8	127.7	0	0	0	110.8	C584 M585 A586 F590 F591 A592 L611 Y615	C584-I588 WeakPolarHBondContact O-CD1 3.46Å; M585-I588 PolarHBondContact O-N 3.22Å; M585-I588 HydrophobicContact SD-CD1 4.29Å; A586-I588 PolarHBondContact O-N 3.42Å; I588-F590 VanDerWaalsContact C-N 3.31Å; I588-F590 PolarHBondContact O-N 3.27Å; I588-F591 PolarHBondContact O-N 3.37Å; I588-A592 VanDerWaalsContact O-CB 3.26Å; I588-A592 WeakPolarHBondContact O-CB 3.49Å; I588-A592 PolarHBondContact O-N 3.29Å; I588-L611 HydrophobicContact CG1-CD1 4.3Å; I588-L611 HydrophobicContact CG1-CG 4.17Å; I588-L611 HydrophobicContact CG2-CD1 4.35Å; I588-Y615 HydrophobicContact CD1-CD2 3.52Å; I588-Y615 HydrophobicContact CD1-CE2 4.46Å; I588-Y615 HydrophobicContact CD1-CG 4.22Å; I588-Y615 HydrophobicContact CG1-CD2 4.27Å
589	S	72.6	Confident	71.3	Confident	21 Å²	21	56.8 Å²	56.8	15%	0.147	28%	0.282	C	S	.	.	H	α-helix	trans	-61.9	-41.9	179.8	-57.1	0	0	0	0	111.1	M585 A586 A592 I593	M585-S589 PolarHBondContact O-N 3.49Å; M585-S589 PolarHBondContact O-OG 2.94Å; A586-S589 PolarHBondContact O-N 2.88Å; S589-A592 PolarHBondContact O-N 3.02Å; S589-I593 WeakPolarHBondContact O-CB 3.41Å; S589-I593 WeakPolarHBondContact O-CD1 3.4Å; S589-I593 WeakPolarHBondContact O-CG1 3.1Å; S589-I593 PolarHBondContact O-N 3.28Å
590	F	74.1	Confident	70.8	Confident	111 Å²	111	55.1 Å²	55.1	49%	0.487	28%	0.284	S	S	.	.	H	α-helix	trans	-61.5	-46.2	176.5	177.7	-100	0	0	0	112.6	A586 P587 I588 S594 L601	A586-F590 WeakPolarHBondContact O-CB 3.4Å; A586-F590 PolarHBondContact O-N 2.9Å; P587-F590 PolarHBondContact O-N 3.45Å; I588-F590 VanDerWaalsContact C-N 3.31Å; I588-F590 PolarHBondContact O-N 3.27Å; F590-S594 WeakPolarHBondContact O-CB 3.18Å; F590-S594 PolarHBondContact O-N 2.93Å; F590-S594 PolarHBondContact O-OG 3.42Å; F590-L601 HydrophobicContact CE1-CD1 4.42Å; F590-L601 HydrophobicContact CZ-CD1 3.9Å
591	F	68.9	Low	69.8	Low	36 Å²	36	59.3 Å²	59.3	16%	0.158	31%	0.305	C	S	.	.	H	α-helix	trans	-69.2	-40	178.6	-67.5	-52.5	0	0	0	112.6	P587 I588 I593 S594 A595 I602 L610	P587-F591 HydrophobicContact CB-CE2 4.18Å; P587-F591 WeakPolarHBondContact O-CD2 3.39Å; P587-F591 WeakPolarHBondContact O-CG 3.4Å; P587-F591 PolarHBondContact O-N 3.02Å; I588-F591 PolarHBondContact O-N 3.37Å; F591-I593 VanDerWaalsContact C-N 3.35Å; F591-I593 PolarHBondContact O-N 3.39Å; F591-S594 PolarHBondContact O-N 2.76Å; F591-A595 WeakPolarHBondContact O-CB 3.19Å; F591-A595 PolarHBondContact O-N 3.34Å; F591-I602 HydrophobicContact CE1-CB 4.22Å; F591-I602 HydrophobicContact CE1-CD1 3.54Å; F591-I602 HydrophobicContact CE1-CG1 4Å; F591-I602 HydrophobicContact CZ-CD1 3.77Å; F591-L610 HydrophobicContact CE2-CB 4.19Å; F591-L610 HydrophobicContact CE2-CD1 3.38Å; F591-L610 HydrophobicContact CE2-CG 4.41Å; F591-L610 HydrophobicContact CZ-CD1 3.37Å
592	A	67.6	Low	69.1	Low	4 Å²	4	61.8 Å²	61.8	3%	0.033	32%	0.317	C	S	.	.	H	α-helix	trans	-66.6	-38.1	179.9	0	0	0	0	0	111.7	M520 L535 I588 S589 A596	M520-A592 HydrophobicContact CE-CB 4.07Å; M520-A592 HydrophobicContact SD-CB 4.46Å; L535-A592 HydrophobicContact CD1-CB 3.42Å; L535-A592 VanDerWaalsContact CD1-CB 3.42Å; L535-A592 HydrophobicContact CD2-CB 3.66Å; L535-A592 HydrophobicContact CG-CB 4.15Å; I588-A592 VanDerWaalsContact O-CB 3.26Å; I588-A592 WeakPolarHBondContact O-CB 3.49Å; I588-A592 PolarHBondContact O-N 3.29Å; S589-A592 PolarHBondContact O-N 3.02Å; A592-A596 WeakPolarHBondContact O-CB 3.46Å; A592-A596 PolarHBondContact O-N 3.39Å
593	I	74.1	Confident	68.3	Low	64 Å²	64	62.5 Å²	62.5	33%	0.328	33%	0.327	S	S	.	.	H	α-helix	trans	-66.9	-44.2	172.1	-67.5	165.8	0	0	0	111.2	L535 S589 F591 A595 A596 L597	L535-I593 HydrophobicContact CD1-CG1 4.46Å; S589-I593 WeakPolarHBondContact O-CB 3.41Å; S589-I593 WeakPolarHBondContact O-CD1 3.4Å; S589-I593 WeakPolarHBondContact O-CG1 3.1Å; S589-I593 PolarHBondContact O-N 3.28Å; F591-I593 VanDerWaalsContact C-N 3.35Å; F591-I593 PolarHBondContact O-N 3.39Å; I593-A595 VanDerWaalsContact C-N 3.31Å; I593-A595 PolarHBondContact O-N 3.05Å; I593-A596 PolarHBondContact O-N 3.18Å; I593-A596 VanDerWaalsContact O-N 3.15Å; I593-L597 HydrophobicContact CG2-CD1 3.95Å; I593-L597 HydrophobicContact CG2-CG 4.37Å; I593-L597 WeakPolarHBondContact O-CG 3.4Å; I593-L597 PolarHBondContact O-N 2.92Å
594	S	73.3	Confident	67.5	Low	12 Å²	12	59.6 Å²	59.6	8%	0.084	32%	0.315	C	S	.	.	H	α-helix	trans	-61.4	-40.1	178.9	-58.5	0	0	0	0	112	F590 F591 L597 R598 M599	F590-S594 WeakPolarHBondContact O-CB 3.18Å; F590-S594 PolarHBondContact O-N 2.93Å; F590-S594 PolarHBondContact O-OG 3.42Å; F591-S594 PolarHBondContact O-N 2.76Å; S594-L597 PolarHBondContact O-N 3.46Å; S594-R598 PolarHBondContact O-N 3.4Å; S594-M599 CarbonylContact O-C 3.55Å; S594-M599 PolarHBondContact O-N 3.18Å; S594-M599 VanDerWaalsContact O-N 3.13Å
595	A	67.3	Low	66.7	Low	22 Å²	22	60.7 Å²	60.7	18%	0.182	32%	0.322	C	S	.	.	H	α-helix	trans	-65.3	-42.8	173.3	0	0	0	0	0	111.9	F591 I593 L597 R598	F591-A595 WeakPolarHBondContact O-CB 3.19Å; F591-A595 PolarHBondContact O-N 3.34Å; I593-A595 VanDerWaalsContact C-N 3.31Å; I593-A595 PolarHBondContact O-N 3.05Å; A595-L597 VanDerWaalsContact C-N 3.3Å; A595-L597 PolarHBondContact O-N 3.44Å; A595-R598 PolarHBondContact O-N 2.98Å
596	A	67.4	Low	66.3	Low	11 Å²	11	64.3 Å²	64.3	9%	0.091	34%	0.338	C	S	.	.	H	α-helix	trans	-65.1	-31.1	177.6	0	0	0	0	0	113.5	M532 A592 I593 R598	M532-A596 HydrophobicContact CE-CB 4.39Å; M532-A596 HydrophobicContact CG-CB 4.3Å; M532-A596 HydrophobicContact SD-CB 3.3Å; M532-A596 WeakPolarHBondContact SD-CB 3.03Å; A592-A596 WeakPolarHBondContact O-CB 3.46Å; A592-A596 PolarHBondContact O-N 3.39Å; I593-A596 PolarHBondContact O-N 3.18Å; I593-A596 VanDerWaalsContact O-N 3.15Å; A596-R598 PolarHBondContact O-N 3.01Å
597	L	71.5	Confident	65.9	Low	119 Å²	119	64 Å²	64	62%	0.623	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	5.7	173.7	-66.9	175	0	0	0	113.4	I593 S594 A595 M599	I593-L597 HydrophobicContact CG2-CD1 3.95Å; I593-L597 HydrophobicContact CG2-CG 4.37Å; I593-L597 WeakPolarHBondContact O-CG 3.4Å; I593-L597 PolarHBondContact O-N 2.92Å; S594-L597 PolarHBondContact O-N 3.46Å; A595-L597 VanDerWaalsContact C-N 3.3Å; A595-L597 PolarHBondContact O-N 3.44Å; L597-M599 PolarHBondContact O-N 3.13Å
598	R	68.1	Low	65.5	Low	196 Å²	196	63.6 Å²	63.6	74%	0.74	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	26.7	-177.3	-60.1	-172.3	176.1	179.3	-1.4	114.1	S594 A595 A596 P600	S594-R598 PolarHBondContact O-N 3.4Å; A595-R598 PolarHBondContact O-N 2.98Å; A596-R598 PolarHBondContact O-N 3.01Å; R598-P600 WeakPolarHBondContact O-CD 3.28Å
599	M	65.7	Low	65.3	Low	129 Å²	129	64.2 Å²	64.2	64%	0.635	33%	0.332	S	S	*	.			trans	-122.3	76.8	173.8	-64.4	-145	-56.6	0	0	110.2	S594 L597 L601	S594-M599 CarbonylContact O-C 3.55Å; S594-M599 PolarHBondContact O-N 3.18Å; S594-M599 VanDerWaalsContact O-N 3.13Å; L597-M599 PolarHBondContact O-N 3.13Å; M599-L601 PolarHBondContact O-N 3.5Å
600	P	62.7	Low	64.9	Low	94 Å²	94	65.8 Å²	65.8	61%	0.61	34%	0.338	S	S	*	.			trans	-68.9	101.8	178	28.6	-33	0	0	0	110.1	R598 I602	R598-P600 WeakPolarHBondContact O-CD 3.28Å; P600-I602 VanDerWaalsContact C-N 3.29Å; P600-I602 PolarHBondContact O-N 3.13Å
601	L	54.3	Low	64.6	Low	120 Å²	120	61.9 Å²	61.9	63%	0.628	32%	0.323	S	S	*	.			trans	-73.2	-16.9	-178.6	-73.4	157.1	0	0	0	113.8	F590 M599	F590-L601 HydrophobicContact CE1-CD1 4.42Å; F590-L601 HydrophobicContact CZ-CD1 3.9Å; M599-L601 PolarHBondContact O-N 3.5Å
602	I	57.1	Low	64.6	Low	69 Å²	69	60.9 Å²	60.9	35%	0.354	32%	0.319	S	S	.	.	S	Bend	trans	-134.3	144.5	178.6	-62.3	-170.1	0	0	0	108.6	F591 P600 H606	F591-I602 HydrophobicContact CE1-CB 4.22Å; F591-I602 HydrophobicContact CE1-CD1 3.54Å; F591-I602 HydrophobicContact CE1-CG1 4Å; F591-I602 HydrophobicContact CZ-CD1 3.77Å; P600-I602 VanDerWaalsContact C-N 3.29Å; P600-I602 PolarHBondContact O-N 3.13Å; I602-H606 HydrophobicContact CG2-CB 3.56Å
603	T	57.9	Low	64.7	Low	87 Å²	87	63 Å²	63	53%	0.534	33%	0.329	S	S	.	.			trans	-60.5	139.6	173.9	64.4	0	0	0	0	110.3	S605 H606 S607	T603-S605 PolarHBondContact O-N 2.75Å; T603-S605 VanDerWaalsContact O-N 3.09Å; T603-H606 PolarHBondContact O-N 2.98Å; T603-H606 PolarHBondContact OG1-CD2 2.96Å; T603-S607 PolarHBondContact O-N 3.38Å
604	V	57.5	Low	64.7	Low	23 Å²	23	63.3 Å²	63.3	14%	0.139	33%	0.328	C	S	.	.	H	α-helix	trans	-58.6	-30.6	-174.7	174.4	0	0	0	0	111.8	A352 F353 H606 S607 K608	A352-V604 HydrophobicContact CB-CB 4.03Å; A352-V604 HydrophobicContact CB-CG2 3.56Å; A352-V604 WeakPolarHBondContact O-CB 3.24Å; A352-V604 WeakPolarHBondContact O-CG1 3.43Å; F353-V604 HydrophobicContact CD1-CG1 4.05Å; F353-V604 HydrophobicContact CD1-CG2 4.33Å; F353-V604 HydrophobicContact CE1-CG2 4.26Å; V604-H606 PolarHBondContact O-N 2.98Å; V604-S607 WeakPolarHBondContact CA-OG 3.11Å; V604-S607 PolarHBondContact O-N 3.04Å; V604-S607 PolarHBondContact O-OG 3Å; V604-K608 WeakPolarHBondContact O-CG 3.37Å; V604-K608 PolarHBondContact O-N 2.98Å
605	S	56.1	Low	64.6	Low	28 Å²	28	63.9 Å²	63.9	20%	0.196	33%	0.329	C	S	.	.	H	α-helix	trans	-58.4	-42.7	172.8	-50.3	0	0	0	0	113.7	T603 K608	T603-S605 PolarHBondContact O-N 2.75Å; T603-S605 VanDerWaalsContact O-N 3.09Å; S605-K608 WeakPolarHBondContact O-CB 3.38Å; S605-K608 PolarHBondContact O-N 3.07Å
606	H	63.1	Low	64.9	Low	113 Å²	113	62.9 Å²	62.9	52%	0.523	32%	0.321	S	S	.	.	H	α-helix	trans	-74.2	-30.6	176.4	-70.7	-53.3	0	0	0	112.3	I602 T603 V604 K608 I609 L610	I602-H606 HydrophobicContact CG2-CB 3.56Å; T603-H606 PolarHBondContact O-N 2.98Å; T603-H606 PolarHBondContact OG1-CD2 2.96Å; V604-H606 PolarHBondContact O-N 2.98Å; H606-K608 VanDerWaalsContact C-N 3.28Å; H606-K608 PolarHBondContact O-N 3.25Å; H606-I609 PolarHBondContact O-N 2.68Å; H606-L610 PolarHBondContact O-N 3.45Å
607	S	61.6	Low	65.3	Low	24 Å²	24	64.6 Å²	64.6	17%	0.168	33%	0.328	C	S	.	.	H	α-helix	trans	-64.1	-32.2	173.1	79.6	0	0	0	0	112.5	T603 V604 I609 L610 L611	T603-S607 PolarHBondContact O-N 3.38Å; V604-S607 WeakPolarHBondContact CA-OG 3.11Å; V604-S607 PolarHBondContact O-N 3.04Å; V604-S607 PolarHBondContact O-OG 3Å; S607-I609 VanDerWaalsContact C-N 3.35Å; S607-I609 PolarHBondContact O-N 3.35Å; S607-L610 PolarHBondContact O-N 2.81Å; S607-L611 VanDerWaalsContact O-CB 3.31Å; S607-L611 WeakPolarHBondContact O-CB 3.25Å; S607-L611 PolarHBondContact O-N 3.46Å
608	K	63.5	Low	65.5	Low	27 Å²	27	59.1 Å²	59.1	12%	0.117	30%	0.299	C	S	.	.	H	α-helix	trans	-61.1	-41.2	175.2	-69	-178.4	-174.3	-161.8	0	112.1	F353 P355 S515 I516 V604 S605 H606 L611 I612	F353-K608 WeakPolarHBondContact O-CE 3.32Å; F353-K608 PolarHBondContact O-NZ 2.85Å; P355-K608 VanDerWaalsContact CD-NZ 3.27Å; S515-K608 PolarHBondContact OG-NZ 3.39Å; I516-K608 HydrophobicContact CD1-CB 4.29Å; I516-K608 HydrophobicContact CD1-CD 4.39Å; I516-K608 HydrophobicContact CD1-CG 4.04Å; V604-K608 WeakPolarHBondContact O-CG 3.37Å; V604-K608 PolarHBondContact O-N 2.98Å; S605-K608 WeakPolarHBondContact O-CB 3.38Å; S605-K608 PolarHBondContact O-N 3.07Å; H606-K608 VanDerWaalsContact C-N 3.28Å; H606-K608 PolarHBondContact O-N 3.25Å; K608-L611 PolarHBondContact O-N 2.99Å; K608-I612 HydrophobicContact CB-CD1 4.47Å; K608-I612 WeakPolarHBondContact O-CB 3.39Å; K608-I612 WeakPolarHBondContact O-CD1 3.17Å; K608-I612 WeakPolarHBondContact O-CG1 3.28Å; K608-I612 PolarHBondContact O-N 2.86Å
609	I	66.3	Low	66	Low	39 Å²	39	50.1 Å²	50.1	20%	0.2	27%	0.266	C	S	.	.	H	α-helix	trans	-61.3	-47.3	178.2	-59.5	173.2	0	0	0	110.1	F362 L365 H606 S607 L611 L613	F362-I609 HydrophobicContact CD2-CD1 4.23Å; F362-I609 HydrophobicContact CD2-CG1 4.38Å; F362-I609 HydrophobicContact CE2-CD1 3.72Å; F362-I609 HydrophobicContact CE2-CG1 4.15Å; F362-I609 HydrophobicContact CZ-CD1 4.4Å; L365-I609 HydrophobicContact CD1-CG2 4.5Å; H606-I609 PolarHBondContact O-N 2.68Å; S607-I609 VanDerWaalsContact C-N 3.35Å; S607-I609 PolarHBondContact O-N 3.35Å; I609-L611 VanDerWaalsContact C-N 3.32Å; I609-L611 PolarHBondContact O-N 2.98Å; I609-L613 WeakPolarHBondContact O-CB 3.41Å; I609-L613 PolarHBondContact O-N 3.32Å
610	L	65.6	Low	66.6	Low	53 Å²	53	45.6 Å²	45.6	28%	0.277	25%	0.245	S	C	.	.	H	α-helix	trans	-64.6	-40.1	179.1	-65.6	172.4	0	0	0	111.2	F591 H606 S607 L613 F614	F591-L610 HydrophobicContact CE2-CB 4.19Å; F591-L610 HydrophobicContact CE2-CD1 3.38Å; F591-L610 HydrophobicContact CE2-CG 4.41Å; F591-L610 HydrophobicContact CZ-CD1 3.37Å; H606-L610 PolarHBondContact O-N 3.45Å; S607-L610 PolarHBondContact O-N 2.81Å; L610-L613 PolarHBondContact O-N 3.07Å; L610-F614 HydrophobicContact CB-CD2 4.34Å; L610-F614 HydrophobicContact CD2-CD2 3.98Å; L610-F614 HydrophobicContact CD2-CE2 3.6Å; L610-F614 WeakPolarHBondContact O-CB 3.33Å; L610-F614 WeakPolarHBondContact O-CD2 3.27Å; L610-F614 PolarHBondContact O-N 3.47Å
611	L	68	Low	67.3	Low	29 Å²	29	42.8 Å²	42.8	15%	0.152	23%	0.227	C	C	.	.	H	α-helix	trans	-73	-42.2	-177.2	-154.6	143.7	0	0	0	111.7	L518 I588 S607 K608 I609 L613 Y615	L518-L611 HydrophobicContact CD1-CD1 4.08Å; L518-L611 HydrophobicContact CD1-CD2 3.19Å; L518-L611 HydrophobicContact CD1-CG 4.26Å; I588-L611 HydrophobicContact CG1-CD1 4.3Å; I588-L611 HydrophobicContact CG1-CG 4.17Å; I588-L611 HydrophobicContact CG2-CD1 4.35Å; S607-L611 VanDerWaalsContact O-CB 3.31Å; S607-L611 WeakPolarHBondContact O-CB 3.25Å; S607-L611 PolarHBondContact O-N 3.46Å; K608-L611 PolarHBondContact O-N 2.99Å; I609-L611 VanDerWaalsContact C-N 3.32Å; I609-L611 PolarHBondContact O-N 2.98Å; L611-L613 VanDerWaalsContact C-N 3.31Å; L611-L613 PolarHBondContact O-N 3.36Å; L611-Y615 WeakPolarHBondContact O-CB 3.41Å; L611-Y615 PolarHBondContact O-N 3.5Å
612	I	68.8	Low	68.3	Low	15 Å²	15	37.4 Å²	37.4	8%	0.077	20%	0.198	C	C	.	.	H	α-helix	trans	-68.5	-31.6	175.6	-67.7	160.5	0	0	0	111.6	L360 L365 I516 K608 P616	L360-I612 HydrophobicContact CD2-CD1 3.62Å; L360-I612 HydrophobicContact CD2-CG1 4.36Å; L360-I612 HydrophobicContact CD2-CG2 4.19Å; L365-I612 HydrophobicContact CD1-CG2 4.14Å; L365-I612 HydrophobicContact CD2-CB 4.15Å; L365-I612 HydrophobicContact CD2-CD1 3.75Å; L365-I612 HydrophobicContact CD2-CG2 3.93Å; L365-I612 HydrophobicContact CG-CG2 3.95Å; I516-I612 HydrophobicContact CD1-CD1 3.71Å; I516-I612 HydrophobicContact CD1-CG1 3.89Å; I516-I612 HydrophobicContact CG1-CD1 4.5Å; K608-I612 HydrophobicContact CB-CD1 4.47Å; K608-I612 WeakPolarHBondContact O-CB 3.39Å; K608-I612 WeakPolarHBondContact O-CD1 3.17Å; K608-I612 WeakPolarHBondContact O-CG1 3.28Å; K608-I612 PolarHBondContact O-N 2.86Å; I612-P616 WeakPolarHBondContact O-CD 3.2Å; I612-P616 WeakPolarHBondContact O-CG 3.42Å
613	L	69.4	Low	69.1	Low	49 Å²	49	34.3 Å²	34.3	26%	0.257	18%	0.183	S	C	.	.	H	α-helix	trans	-79.3	-55.1	-179.8	-176.2	66.9	0	0	0	112.4	L368 I609 L610 L611 I617	L368-L613 HydrophobicContact CD2-CD1 3.27Å; L368-L613 HydrophobicContact CG-CD1 4.47Å; I609-L613 WeakPolarHBondContact O-CB 3.41Å; I609-L613 PolarHBondContact O-N 3.32Å; L610-L613 PolarHBondContact O-N 3.07Å; L611-L613 VanDerWaalsContact C-N 3.31Å; L611-L613 PolarHBondContact O-N 3.36Å; L613-I617 HydrophobicContact CD1-CD1 4.33Å; L613-I617 HydrophobicContact CG-CD1 4.23Å; L613-I617 WeakPolarHBondContact O-CD1 3.37Å; L613-I617 WeakPolarHBondContact O-CG1 3.41Å
614	F	73.6	Confident	69.6	Low	70 Å²	70	33.2 Å²	33.2	31%	0.307	17%	0.171	S	C	.	.	H	α-helix	trans	-85.1	-34.3	-168.8	-71.6	-73.2	0	0	0	113.6	C584 L610 I617	C584-F614 WeakPolarHBondContact CB-O 3.2Å; C584-F614 PolarHBondContact SG-O 3.29Å; L610-F614 HydrophobicContact CB-CD2 4.34Å; L610-F614 HydrophobicContact CD2-CD2 3.98Å; L610-F614 HydrophobicContact CD2-CE2 3.6Å; L610-F614 WeakPolarHBondContact O-CB 3.33Å; L610-F614 WeakPolarHBondContact O-CD2 3.27Å; L610-F614 PolarHBondContact O-N 3.47Å; F614-I617 HydrophobicContact CD1-CD1 4.37Å; F614-I617 PolarHBondContact O-N 2.83Å
615	Y	72.1	Confident	70	Confident	24 Å²	24	34.2 Å²	34.2	9%	0.094	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-43	-177.3	-173.3	-118.9	0	0	0	113.8	M411 Y414 T449 S453 I588 L611	M411-Y615 HydrophobicContact CE-CD1 4.13Å; M411-Y615 HydrophobicContact CE-CE1 3.44Å; M411-Y615 VanDerWaalsContact CE-CE1 3.44Å; Y414-Y615 HydrophobicContact CE1-CE1 4.38Å; T449-Y615 WeakPolarHBondContact OG1-CE1 3.21Å; T449-Y615 PolarHBondContact OG1-OH 3.17Å; S453-Y615 WeakPolarHBondContact CB-OH 3.44Å; S453-Y615 PolarHBondContact OG-OH 3.06Å; I588-Y615 HydrophobicContact CD1-CD2 3.52Å; I588-Y615 HydrophobicContact CD1-CE2 4.46Å; I588-Y615 HydrophobicContact CD1-CG 4.22Å; I588-Y615 HydrophobicContact CG1-CD2 4.27Å; L611-Y615 WeakPolarHBondContact O-CB 3.41Å; L611-Y615 PolarHBondContact O-N 3.5Å
616	P	72.2	Confident	70.4	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.013	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-8	-179	34.5	-36.1	0	0	0	115.7	I372 L415 I612 N618 S619 L620	I372-P616 HydrophobicContact CG2-CB 4.07Å; I372-P616 HydrophobicContact CG2-CG 4.24Å; L415-P616 HydrophobicContact CD1-CB 3.28Å; L415-P616 HydrophobicContact CD1-CG 4.09Å; L415-P616 HydrophobicContact CD2-CB 4.01Å; L415-P616 HydrophobicContact CD2-CG 4.22Å; L415-P616 HydrophobicContact CG-CB 4.18Å; I612-P616 WeakPolarHBondContact O-CD 3.2Å; I612-P616 WeakPolarHBondContact O-CG 3.42Å; P616-N618 PolarHBondContact O-N 2.95Å; P616-S619 PolarHBondContact O-N 2.95Å; P616-L620 PolarHBondContact O-N 3.18Å
617	I	76.9	Confident	70.4	Confident	46 Å²	46	29.5 Å²	29.5	24%	0.236	15%	0.15	C	C	.	.	H	α-helix	trans	-63.1	-33	-177.5	-79.1	168.5	0	0	0	111.7	L613 F614 L620 C621	L613-I617 HydrophobicContact CD1-CD1 4.33Å; L613-I617 HydrophobicContact CG-CD1 4.23Å; L613-I617 WeakPolarHBondContact O-CD1 3.37Å; L613-I617 WeakPolarHBondContact O-CG1 3.41Å; F614-I617 HydrophobicContact CD1-CD1 4.37Å; F614-I617 PolarHBondContact O-N 2.83Å; I617-L620 WeakPolarHBondContact O-CB 3.33Å; I617-L620 PolarHBondContact O-N 3.06Å; I617-C621 PolarHBondContact O-N 3.07Å; I617-C621 PolarHBondContact O-SG 3.44Å
618	N	74.5	Confident	70.4	Confident	4 Å²	4	30.5 Å²	30.5	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-60.5	-51	178.5	-171.9	45.4	0	0	0	111.6	D581 C584 P616 L620 C621 N622	D581-N618 WeakPolarHBondContact CA-OD1 3.23Å; D581-N618 PolarHBondContact OD1-ND2 3.08Å; C584-N618 HydrophobicContact CB-CB 3.99Å; P616-N618 PolarHBondContact O-N 2.95Å; N618-L620 PolarHBondContact O-N 2.95Å; N618-C621 PolarHBondContact O-N 3.31Å; N618-C621 VanDerWaalsContact O-N 3.09Å; N618-N622 PolarHBondContact O-N 3.14Å; N618-N622 VanDerWaalsContact O-N 3.09Å; N618-N622 PolarHBondContact O-ND2 3.29Å; N618-N622 PolarHBondContact O-OD1 3.42Å
619	S	78.8	Confident	70.4	Confident	8 Å²	8	34.5 Å²	34.5	6%	0.056	17%	0.171	C	C	.	.	H	α-helix	trans	-65.1	-25.9	178.6	-61.3	0	0	0	0	113.7	N380 D408 P616 P623	N380-S619 PolarHBondContact ND2-O 3.07Å; D408-S619 WeakPolarHBondContact OD1-CA 3.3Å; D408-S619 VanDerWaalsContact OD1-CB 3.22Å; D408-S619 WeakPolarHBondContact OD1-CB 3.48Å; D408-S619 PolarHBondContact OD1-OG 3Å; P616-S619 PolarHBondContact O-N 2.95Å; S619-P623 WeakPolarHBondContact O-CD 3.45Å
620	L	79.3	Confident	70.2	Confident	34 Å²	34	34.6 Å²	34.6	18%	0.178	17%	0.173	C	C	.	.	H	α-helix	trans	-71.2	-44.5	171.1	174.4	66.6	0	0	0	111.8	I372 F375 P616 I617 N618 F624	I372-L620 HydrophobicContact CG1-CD2 4.33Å; F375-L620 HydrophobicContact CB-CD1 3.28Å; F375-L620 HydrophobicContact CG-CD1 4.36Å; P616-L620 PolarHBondContact O-N 3.18Å; I617-L620 WeakPolarHBondContact O-CB 3.33Å; I617-L620 PolarHBondContact O-N 3.06Å; N618-L620 PolarHBondContact O-N 2.95Å; L620-F624 HydrophobicContact CD1-CE2 4.27Å; L620-F624 WeakPolarHBondContact O-CD2 3.46Å; L620-F624 WeakPolarHBondContact O-CE2 3.49Å
621	C	77.7	Confident	69.9	Low	35 Å²	35	42.9 Å²	42.9	24%	0.236	20%	0.201	C	C	.	.	H	α-helix	trans	-74.9	-31	-173.6	-66.9	0	0	0	0	113.2	I617 N618 F624 L625	I617-C621 PolarHBondContact O-N 3.07Å; I617-C621 PolarHBondContact O-SG 3.44Å; N618-C621 PolarHBondContact O-N 3.31Å; N618-C621 VanDerWaalsContact O-N 3.09Å; C621-F624 PolarHBondContact O-N 3.33Å; C621-L625 HydrophobicContact CB-CD1 4.01Å; C621-L625 HydrophobicContact CB-CG 4.46Å; C621-L625 WeakPolarHBondContact O-CG 3.25Å; C621-L625 PolarHBondContact O-N 3.17Å
622	N	74.3	Confident	69.5	Low	6 Å²	6	43.8 Å²	43.8	3%	0.032	21%	0.212	C	C	.	.	H	α-helix	trans	-53.2	-48.6	-173.1	-75.6	-18.7	0	0	0	114.7	D408 N618 F624 L625 Y626	D408-N622 VanDerWaalsContact OD2-CB 3.23Å; D408-N622 WeakPolarHBondContact OD2-CB 3.24Å; D408-N622 PolarHBondContact OD2-ND2 3.45Å; N618-N622 PolarHBondContact O-N 3.14Å; N618-N622 VanDerWaalsContact O-N 3.09Å; N618-N622 PolarHBondContact O-ND2 3.29Å; N618-N622 PolarHBondContact O-OD1 3.42Å; N622-F624 VanDerWaalsContact C-N 3.33Å; N622-F624 PolarHBondContact O-N 2.89Å; N622-L625 PolarHBondContact O-N 3.37Å; N622-Y626 PolarHBondContact O-N 2.95Å
623	P	73.8	Confident	69.3	Low	4 Å²	4	44.2 Å²	44.2	3%	0.026	21%	0.214	C	C	.	.	H	α-helix	trans	-54.9	-44.2	173.1	-30.5	36.7	0	0	0	113.8	N380 V383 S619 T627 I628	N380-P623 WeakPolarHBondContact OD1-CG 3.3Å; V383-P623 HydrophobicContact CG2-CB 4.07Å; S619-P623 WeakPolarHBondContact O-CD 3.45Å; P623-T627 PolarHBondContact O-N 3.3Å; P623-T627 PolarHBondContact O-OG1 3.3Å; P623-I628 HydrophobicContact CB-CD1 4Å; P623-I628 PolarHBondContact O-N 3.33Å
624	F	68	Low	69.2	Low	64 Å²	64	48.7 Å²	48.7	28%	0.281	23%	0.227	S	C	.	.	I	π-helix	trans	-69.3	-43.3	-176.9	-62.2	-78.3	0	0	0	111.5	L620 C621 N622 I628 F629	L620-F624 HydrophobicContact CD1-CE2 4.27Å; L620-F624 WeakPolarHBondContact O-CD2 3.46Å; L620-F624 WeakPolarHBondContact O-CE2 3.49Å; C621-F624 PolarHBondContact O-N 3.33Å; N622-F624 VanDerWaalsContact C-N 3.33Å; N622-F624 PolarHBondContact O-N 2.89Å; F624-I628 HydrophobicContact CD1-CB 4.47Å; F624-I628 HydrophobicContact CD1-CD1 3.8Å; F624-I628 HydrophobicContact CD1-CG2 4.48Å; F624-I628 HydrophobicContact CE1-CD1 3.81Å; F624-I628 HydrophobicContact CG-CD1 4.37Å; F624-I628 HydrophobicContact CZ-CD1 4.39Å; F624-F629 HydrophobicContact CB-CD2 4.32Å; F624-F629 HydrophobicContact CB-CE2 3.84Å; F624-F629 HydrophobicContact CB-CZ 4.46Å; F624-F629 HydrophobicContact CD1-CZ 4.33Å; F624-F629 WeakPolarHBondContact O-CD2 3.23Å; F624-F629 WeakPolarHBondContact O-CG 3.45Å
625	L	67.3	Low	68.8	Low	45 Å²	45	51.1 Å²	51.1	24%	0.236	24%	0.235	C	C	.	.	I	π-helix	trans	-67.6	-39	-175.9	-68.4	175.1	0	0	0	113.3	V576 T580 C621 N622	V576-L625 HydrophobicContact CG1-CD1 4.29Å; V576-L625 HydrophobicContact CG1-CD2 3.75Å; T580-L625 HydrophobicContact CG2-CD1 4.29Å; C621-L625 HydrophobicContact CB-CD1 4.01Å; C621-L625 HydrophobicContact CB-CG 4.46Å; C621-L625 WeakPolarHBondContact O-CG 3.25Å; C621-L625 PolarHBondContact O-N 3.17Å; N622-L625 PolarHBondContact O-N 3.37Å
626	Y	63.3	Low	68.6	Low	29 Å²	29	51.1 Å²	51.1	11%	0.114	24%	0.236	C	C	.	.	I	π-helix	trans	-105.8	-34.7	-173	-99	-106.8	0	0	0	115.4	M401 M574 L577 N622 T630	M401-Y626 HydrophobicContact SD-CD1 4.02Å; M574-Y626 VanDerWaalsContact CE-OH 3.24Å; M574-Y626 WeakPolarHBondContact CE-OH 2.95Å; M574-Y626 VanDerWaalsContact CG-OH 3.28Å; M574-Y626 WeakPolarHBondContact CG-OH 3.41Å; L577-Y626 HydrophobicContact CB-CD2 4.24Å; L577-Y626 HydrophobicContact CB-CE2 3.6Å; L577-Y626 HydrophobicContact CD1-CD2 3.34Å; L577-Y626 HydrophobicContact CD1-CE2 3.24Å; L577-Y626 HydrophobicContact CD1-CG 4.34Å; L577-Y626 HydrophobicContact CG-CD2 4.38Å; L577-Y626 HydrophobicContact CG-CE2 3.93Å; N622-Y626 PolarHBondContact O-N 2.95Å; Y626-T630 PolarHBondContact O-OG1 3.48Å
627	T	64	Low	68.4	Low	12 Å²	12	53 Å²	53	7%	0.074	25%	0.247	C	C	.	.	I	π-helix	trans	-111.7	-57.8	-166.4	64.6	0	0	0	0	111.9	V383 M401 P623 F629 T630 F633	V383-T627 HydrophobicContact CG1-CG2 3.84Å; V383-T627 HydrophobicContact CG2-CG2 4.27Å; V383-T627 WeakPolarHBondContact CG2-OG1 3.27Å; M401-T627 HydrophobicContact SD-CG2 4.15Å; P623-T627 PolarHBondContact O-N 3.3Å; P623-T627 PolarHBondContact O-OG1 3.3Å; T627-F629 PolarHBondContact O-N 3.23Å; T627-T630 WeakPolarHBondContact O-CB 3.38Å; T627-T630 PolarHBondContact O-N 3.02Å; T627-F633 WeakPolarHBondContact O-CB 3.48Å; T627-F633 VanDerWaalsContact O-CG 3.32Å; T627-F633 WeakPolarHBondContact O-CG 3.35Å
628	I	61.9	Low	67.9	Low	46 Å²	46	54.9 Å²	54.9	24%	0.236	26%	0.264	C	S	.	.	I	π-helix	trans	-66.4	-37	-170.2	-62.4	170.4	0	0	0	112.6	P623 F624 T630 F633	P623-I628 HydrophobicContact CB-CD1 4Å; P623-I628 PolarHBondContact O-N 3.33Å; F624-I628 HydrophobicContact CD1-CB 4.47Å; F624-I628 HydrophobicContact CD1-CD1 3.8Å; F624-I628 HydrophobicContact CD1-CG2 4.48Å; F624-I628 HydrophobicContact CE1-CD1 3.81Å; F624-I628 HydrophobicContact CG-CD1 4.37Å; F624-I628 HydrophobicContact CZ-CD1 4.39Å; I628-T630 VanDerWaalsContact C-N 3.29Å; I628-T630 PolarHBondContact O-N 3.44Å; I628-F633 HydrophobicContact CB-CE1 4.34Å; I628-F633 HydrophobicContact CG1-CD1 4.48Å; I628-F633 HydrophobicContact CG1-CE1 3.9Å; I628-F633 HydrophobicContact CG1-CZ 4.29Å
629	F	62.3	Low	67.4	Low	110 Å²	110	60 Å²	60	48%	0.482	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	4.6	177.4	-62	-41.9	0	0	0	114.6	F624 T627	F624-F629 HydrophobicContact CB-CD2 4.32Å; F624-F629 HydrophobicContact CB-CE2 3.84Å; F624-F629 HydrophobicContact CB-CZ 4.46Å; F624-F629 HydrophobicContact CD1-CZ 4.33Å; F624-F629 WeakPolarHBondContact O-CD2 3.23Å; F624-F629 WeakPolarHBondContact O-CG 3.45Å; T627-F629 PolarHBondContact O-N 3.23Å
630	T	62.8	Low	66.8	Low	41 Å²	41	62 Å²	62	25%	0.252	29%	0.292	S	S	.	.	S	Bend	trans	-88.3	133.7	178.1	-62.3	0	0	0	0	111.1	Y626 T627 I628 A632 F633 R634	Y626-T630 PolarHBondContact O-OG1 3.48Å; T627-T630 WeakPolarHBondContact O-CB 3.38Å; T627-T630 PolarHBondContact O-N 3.02Å; I628-T630 VanDerWaalsContact C-N 3.29Å; I628-T630 PolarHBondContact O-N 3.44Å; T630-A632 HydrophobicContact CG2-CB 4.11Å; T630-A632 PolarHBondContact O-N 2.9Å; T630-F633 PolarHBondContact O-N 3.37Å; T630-F633 VanDerWaalsContact O-N 3.11Å; T630-R634 PolarHBondContact O-N 2.9Å
631	R	58.2	Low	66.2	Low	227 Å²	227	64.2 Å²	64.2	86%	0.857	30%	0.304	S	S	*	.	H	α-helix	trans	-57.5	-32.3	-179.2	-70.2	-176.8	-179.5	-179.7	-1.8	112.8	R635	R631-R635 PolarHBondContact O-N 3.14Å
632	A	60.5	Low	65.5	Low	48 Å²	48	64.9 Å²	64.9	40%	0.397	31%	0.309	S	S	.	.	H	α-helix	trans	-64.2	-45.7	176.1	0	0	0	0	0	112.2	T630 R635 D636	T630-A632 HydrophobicContact CG2-CB 4.11Å; T630-A632 PolarHBondContact O-N 2.9Å; A632-R635 WeakPolarHBondContact O-CB 3.44Å; A632-R635 PolarHBondContact O-N 3.07Å; A632-D636 VanDerWaalsContact O-CG 3.3Å; A632-D636 PolarHBondContact O-N 3.16Å
633	F	64.5	Low	64.9	Low	25 Å²	25	73.9 Å²	73.9	11%	0.11	34%	0.343	C	S	.	.	H	α-helix	trans	-66.1	-43.7	178.4	-176.1	-95.4	0	0	0	112.2	V383 V386 T627 I628 T630 R635 D636 V637	V383-F633 HydrophobicContact CG2-CE2 4.43Å; V386-F633 HydrophobicContact CB-CD2 4.41Å; V386-F633 HydrophobicContact CB-CE2 3.69Å; V386-F633 HydrophobicContact CB-CZ 4.33Å; V386-F633 HydrophobicContact CG1-CD2 3.81Å; V386-F633 HydrophobicContact CG1-CE2 3.58Å; V386-F633 HydrophobicContact CG1-CZ 4.4Å; V386-F633 HydrophobicContact CG2-CE2 3.95Å; V386-F633 HydrophobicContact CG2-CZ 4.08Å; T627-F633 WeakPolarHBondContact O-CB 3.48Å; T627-F633 VanDerWaalsContact O-CG 3.32Å; T627-F633 WeakPolarHBondContact O-CG 3.35Å; I628-F633 HydrophobicContact CB-CE1 4.34Å; I628-F633 HydrophobicContact CG1-CD1 4.48Å; I628-F633 HydrophobicContact CG1-CE1 3.9Å; I628-F633 HydrophobicContact CG1-CZ 4.29Å; T630-F633 PolarHBondContact O-N 3.37Å; T630-F633 VanDerWaalsContact O-N 3.11Å; F633-R635 PolarHBondContact O-N 3.37Å; F633-D636 PolarHBondContact O-N 2.86Å; F633-V637 HydrophobicContact CD1-CG2 3.77Å; F633-V637 HydrophobicContact CE1-CG2 3.42Å; F633-V637 VanDerWaalsContact CE1-CG2 3.42Å; F633-V637 HydrophobicContact CE2-CG2 4.31Å; F633-V637 HydrophobicContact CG-CG2 4.37Å; F633-V637 HydrophobicContact CZ-CG2 3.72Å; F633-V637 WeakPolarHBondContact O-CG2 3.21Å; F633-V637 PolarHBondContact O-N 2.89Å
634	R	67.9	Low	64.1	Low	142 Å²	142	78.1 Å²	78.1	54%	0.536	37%	0.372	S	S	.	.	H	α-helix	trans	-57.1	-39.9	175.1	-64.5	-173.6	-169.1	-170.1	2.8	111.7	T630 C638	T630-R634 PolarHBondContact O-N 2.9Å; R634-C638 WeakPolarHBondContact O-CB 3.44Å; R634-C638 PolarHBondContact O-N 3.37Å; R634-C638 PolarHBondContact O-SG 3.43Å
635	R	65.8	Low	63.5	Low	122 Å²	122	78 Å²	78	46%	0.46	39%	0.388	S	S	.	.	H	α-helix	trans	-65.5	-40.3	175.9	-172.6	-179	68.4	168	1.4	112.1	R631 A632 F633 R639	R631-R635 PolarHBondContact O-N 3.14Å; A632-R635 WeakPolarHBondContact O-CB 3.44Å; A632-R635 PolarHBondContact O-N 3.07Å; F633-R635 PolarHBondContact O-N 3.37Å; R635-R639 WeakPolarHBondContact O-CG 3.38Å; R635-R639 PolarHBondContact O-N 2.98Å; R635-R639 VanDerWaalsContact O-N 3.12Å
636	D	66.6	Low	62.8	Low	24 Å²	24	80.4 Å²	80.4	13%	0.128	41%	0.408	C	S	.	.	H	α-helix	trans	-74.7	-36.3	-178.8	-65.9	-18.2	0	0	0	111.9	V386 A632 F633 R639 L640	V386-D636 HydrophobicContact CG1-CB 4.19Å; A632-D636 VanDerWaalsContact O-CG 3.3Å; A632-D636 PolarHBondContact O-N 3.16Å; F633-D636 PolarHBondContact O-N 2.86Å; D636-R639 PolarHBondContact O-N 3.33Å; D636-R639 IonicContact OD1-NH1 2.79Å; D636-R639 PolarHBondContact OD1-NH1 3.41Å; D636-L640 WeakPolarHBondContact O-CB 3.29Å; D636-L640 PolarHBondContact O-N 3.25Å
637	V	69.1	Low	62.1	Low	41 Å²	41	82.9 Å²	82.9	25%	0.248	43%	0.429	C	S	.	.	H	α-helix	trans	-62.3	-46.6	169.3	170.8	0	0	0	0	111.2	V386 F633 R639 L640 L641	V386-V637 HydrophobicContact CG1-CG2 4.5Å; V386-V637 HydrophobicContact CG2-CG2 4.04Å; F633-V637 HydrophobicContact CD1-CG2 3.77Å; F633-V637 HydrophobicContact CE1-CG2 3.42Å; F633-V637 VanDerWaalsContact CE1-CG2 3.42Å; F633-V637 HydrophobicContact CE2-CG2 4.31Å; F633-V637 HydrophobicContact CG-CG2 4.37Å; F633-V637 HydrophobicContact CZ-CG2 3.72Å; F633-V637 WeakPolarHBondContact O-CG2 3.21Å; F633-V637 PolarHBondContact O-N 2.89Å; V637-R639 VanDerWaalsContact C-N 3.27Å; V637-R639 PolarHBondContact O-N 3.35Å; V637-L640 PolarHBondContact O-N 3.46Å; V637-L640 VanDerWaalsContact O-N 3.13Å; V637-L641 HydrophobicContact CG1-CD1 3.68Å; V637-L641 HydrophobicContact CG1-CG 4.22Å; V637-L641 WeakPolarHBondContact O-CB 3.29Å; V637-L641 WeakPolarHBondContact O-CG 3.49Å; V637-L641 PolarHBondContact O-N 3.01Å
638	C	65.2	Low	61.1	Low	85 Å²	85	88.9 Å²	88.9	57%	0.574	46%	0.46	S	S	*	.	H	α-helix	trans	-59.4	-36.8	176.3	-72.8	0	0	0	0	112.6	R634 S642	R634-C638 WeakPolarHBondContact O-CB 3.44Å; R634-C638 PolarHBondContact O-N 3.37Å; R634-C638 PolarHBondContact O-SG 3.43Å; C638-S642 WeakPolarHBondContact O-CB 3.44Å; C638-S642 PolarHBondContact O-N 2.92Å; C638-S642 PolarHBondContact O-OG 3.26Å
639	R	63.8	Low	60.4	Low	111 Å²	111	91 Å²	91	42%	0.419	49%	0.485	S	S	.	.	H	α-helix	trans	-72.7	-32.5	175.2	-72.7	169.8	-179.9	169	-8.4	113.6	R635 D636 V637 S642 R643	R635-R639 WeakPolarHBondContact O-CG 3.38Å; R635-R639 PolarHBondContact O-N 2.98Å; R635-R639 VanDerWaalsContact O-N 3.12Å; D636-R639 PolarHBondContact O-N 3.33Å; D636-R639 IonicContact OD1-NH1 2.79Å; D636-R639 PolarHBondContact OD1-NH1 3.41Å; V637-R639 VanDerWaalsContact C-N 3.27Å; V637-R639 PolarHBondContact O-N 3.35Å; R639-S642 WeakPolarHBondContact CA-OG 3.33Å; R639-S642 PolarHBondContact O-OG 3.44Å; R639-R643 PolarHBondContact O-N 2.97Å
640	L	67.1	Low	59.7	Low	51 Å²	51	91.6 Å²	91.6	27%	0.267	49%	0.493	S	S	.	.	H	α-helix	trans	-70.8	-44.4	175.6	-153.9	99.1	0	0	0	110.3	V389 D636 V637 S642 R643 C644	V389-L640 HydrophobicContact CB-CD1 4.16Å; V389-L640 HydrophobicContact CG1-CD1 3.64Å; D636-L640 WeakPolarHBondContact O-CB 3.29Å; D636-L640 PolarHBondContact O-N 3.25Å; V637-L640 PolarHBondContact O-N 3.46Å; V637-L640 VanDerWaalsContact O-N 3.13Å; L640-S642 VanDerWaalsContact C-N 3.34Å; L640-S642 PolarHBondContact O-N 3.49Å; L640-R643 WeakPolarHBondContact O-CB 3.26Å; L640-R643 PolarHBondContact O-N 3.29Å; L640-R643 VanDerWaalsContact O-N 3.08Å; L640-C644 PolarHBondContact O-N 2.91Å
641	L	65.9	Low	58.6	Low	80 Å²	80	92.5 Å²	92.5	42%	0.419	50%	0.501	S	S	.	.	H	α-helix	trans	-64.7	-34.7	175.6	-71.4	170.7	0	0	0	112.6	V637 R643 C644 G645 C646	V637-L641 HydrophobicContact CG1-CD1 3.68Å; V637-L641 HydrophobicContact CG1-CG 4.22Å; V637-L641 WeakPolarHBondContact O-CB 3.29Å; V637-L641 WeakPolarHBondContact O-CG 3.49Å; V637-L641 PolarHBondContact O-N 3.01Å; L641-R643 VanDerWaalsContact C-N 3.3Å; L641-C644 PolarHBondContact O-N 3.4Å; L641-G645 PolarHBondContact O-N 3.19Å; L641-C646 PolarHBondContact O-N 3.3Å
642	S	62.7	Low	58.1	Low	50 Å²	50	87.1 Å²	87.1	35%	0.35	49%	0.489	S	S	.	.	H	α-helix	trans	-70.7	-25.4	172.5	70.5	0	0	0	0	112.7	C638 R639 L640	C638-S642 WeakPolarHBondContact O-CB 3.44Å; C638-S642 PolarHBondContact O-N 2.92Å; C638-S642 PolarHBondContact O-OG 3.26Å; R639-S642 WeakPolarHBondContact CA-OG 3.33Å; R639-S642 PolarHBondContact O-OG 3.44Å; L640-S642 VanDerWaalsContact C-N 3.34Å; L640-S642 PolarHBondContact O-N 3.49Å
643	R	61.8	Low	57.3	Low	194 Å²	194	91.4 Å²	91.4	73%	0.732	50%	0.499	S	S	*	.	H	α-helix	trans	-80.9	-28.7	173.6	-88.6	-176.9	169.5	177	-2.3	113.5	R639 L640 L641 G645	R639-R643 PolarHBondContact O-N 2.97Å; L640-R643 WeakPolarHBondContact O-CB 3.26Å; L640-R643 PolarHBondContact O-N 3.29Å; L640-R643 VanDerWaalsContact O-N 3.08Å; L641-R643 VanDerWaalsContact C-N 3.3Å; R643-G645 VanDerWaalsContact C-N 3.27Å
644	C	57.4	Low	56.2	Low	94 Å²	94	98.3 Å²	98.3	64%	0.635	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	6.2	174.4	-67.7	0	0	0	0	113.5	L640 L641 C646	L640-C644 PolarHBondContact O-N 2.91Å; L641-C644 PolarHBondContact O-N 3.4Å; C644-C646 VanDerWaalsContact C-N 3.35Å; C644-C646 PolarHBondContact O-N 3.47Å
645	G	55.2	Low	54.9	Low	61 Å²	61	100.5 Å²	100.5	63%	0.629	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.1	12.2	172.6	0	0	0	0	0	116	L641 R643	L641-G645 PolarHBondContact O-N 3.19Å; R643-G645 VanDerWaalsContact C-N 3.27Å
646	C	53.1	Low	53.6	Low	96 Å²	96	97.8 Å²	97.8	65%	0.649	53%	0.534	S	S	*	.	S	Bend	trans	-91.9	-5.5	-175.4	-66.3	0	0	0	0	115	L641 C644	L641-C646 PolarHBondContact O-N 3.3Å; C644-C646 VanDerWaalsContact C-N 3.35Å; C644-C646 PolarHBondContact O-N 3.47Å
647	C	47.6	Very low	52.4	Low	81 Å²	81	103 Å²	103	55%	0.547	56%	0.557	S	S	.	*			trans	-157.6	94.2	177.7	-87.3	0	0	0	0	111.3
648	D	44.9	Very low	50.9	Low	137 Å²	137	105.6 Å²	105.6	73%	0.733	57%	0.573	S	S	*	*			trans	-83.8	-7.4	172.2	-106.6	-20.4	0	0	0	113.8
649	A	46.4	Very low	49.5	Very low	91 Å²	91	105.9 Å²	105.9	75%	0.752	57%	0.572	S	S	*	*	S	Bend	trans	-88.5	-6.6	-166.7	0	0	0	0	0	116.6
650	N	46.7	Very low	48	Very low	122 Å²	122	104.1 Å²	104.1	65%	0.652	58%	0.582	S	S	*	*	S	Bend	trans	-119.5	1.2	-171.9	-92.8	-3.7	0	0	0	115.6
651	S	40.7	Very low	46.3	Very low	61 Å²	61	105.9 Å²	105.9	43%	0.427	60%	0.598	S	S	.	*	H	α-helix	trans	-75.1	-28.8	178.9	57.8	0	0	0	0	112.5
652	D	46.8	Very low	44.7	Very low	113 Å²	113	109.8 Å²	109.8	60%	0.604	61%	0.614	S	S	*	*	H	α-helix	trans	-81.1	-26.7	-176.2	-71	-29.1	0	0	0	114.3	R655 S656	D652-R655 PolarHBondContact O-N 3.22Å; D652-S656 PolarHBondContact O-N 3.02Å; D652-S656 PolarHBondContact O-OG 2.94Å
653	F	44.5	Very low	43.2	Very low	139 Å²	139	115.6 Å²	115.6	61%	0.61	64%	0.635	S	S	*	*	H	α-helix	trans	-72.3	-30.3	-179.7	-169.8	-97.2	0	0	0	113.5	S656	F653-S656 PolarHBondContact O-OG 3.27Å
654	Y	41.3	Very low	41.7	Very low	169 Å²	169	112.3 Å²	112.3	66%	0.663	64%	0.637	S	S	*	*	H	α-helix	trans	-87.5	-22.4	176.1	-81.9	-82.5	0	0	0	113	T658	Y654-T658 PolarHBondContact O-OG1 3.38Å
655	R	39.3	Very low	40.3	Very low	188 Å²	188	113.6 Å²	113.6	71%	0.709	65%	0.646	S	S	*	*	H	α-helix	trans	-72.6	-34.1	176.3	-162.6	172.4	177.4	170.2	-2.9	111.6	D652 T658	D652-R655 PolarHBondContact O-N 3.22Å; R655-T658 PolarHBondContact O-N 2.82Å
656	S	39.3	Very low	39.3	Very low	66 Å²	66	117.8 Å²	117.8	46%	0.462	65%	0.652	S	S	.	*	H	α-helix	trans	-69.4	-30.1	179	59.5	0	0	0	0	114.4	D652 F653 T658 V659 A660	D652-S656 PolarHBondContact O-N 3.02Å; D652-S656 PolarHBondContact O-OG 2.94Å; F653-S656 PolarHBondContact O-OG 3.27Å; S656-T658 PolarHBondContact O-N 3Å; S656-V659 PolarHBondContact O-N 3.34Å; S656-A660 PolarHBondContact O-N 3.16Å
657	Q	41.3	Very low	38.1	Very low	134 Å²	134	120.9 Å²	120.9	63%	0.626	66%	0.662	S	S	*	*	H	α-helix	trans	-69.1	-16	174.9	-100.7	-177.7	4.7	0	0	114.3
658	T	38.1	Very low	37.1	Very low	95 Å²	95	127 Å²	127	58%	0.583	68%	0.679	S	S	*	*	H	α-helix	trans	-92.4	-18.3	-178.5	-30.8	0	0	0	0	112.4	Y654 R655 S656 S661	Y654-T658 PolarHBondContact O-OG1 3.38Å; R655-T658 PolarHBondContact O-N 2.82Å; S656-T658 PolarHBondContact O-N 3Å; T658-S661 PolarHBondContact O-OG 3.17Å
659	V	35.9	Very low	36.4	Very low	90 Å²	90	127.2 Å²	127.2	55%	0.545	69%	0.686	S	S	.	*	H	α-helix	trans	-95.8	-28	-178.7	-178.4	0	0	0	0	112	S656 S661 Q662	S656-V659 PolarHBondContact O-N 3.34Å; V659-S661 PolarHBondContact O-N 3.31Å; V659-Q662 PolarHBondContact O-N 3.36Å
660	A	31.6	Very low	35.7	Very low	75 Å²	75	127.1 Å²	127.1	62%	0.62	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	-12.6	176.8	0	0	0	0	0	114.3	S656	S656-A660 PolarHBondContact O-N 3.16Å
661	S	31.4	Very low	34.8	Very low	87 Å²	87	128.6 Å²	128.6	61%	0.608	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-2.4	179.8	53.9	0	0	0	0	114.6	T658 V659	T658-S661 PolarHBondContact O-OG 3.17Å; V659-S661 PolarHBondContact O-N 3.31Å
662	Q	32.1	Very low	34.2	Very low	163 Å²	163	136.7 Å²	136.7	76%	0.762	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.9	-9.3	178	-86.5	-179.6	-34.3	0	0	114.9	V659	V659-Q662 PolarHBondContact O-N 3.36Å
663	H	31.7	Very low	33.3	Very low	171 Å²	171	140.7 Å²	140.7	79%	0.792	73%	0.726	S	S	*	*	S	Bend	trans	-101.7	3.4	179.3	-94.3	-72.4	0	0	0	116.1
664	T	31.1	Very low	32.9	Very low	126 Å²	126	138.8 Å²	138.8	77%	0.773	73%	0.727	S	S	*	*	S	Bend	trans	-106.2	18.2	-179.5	7.1	0	0	0	0	114.7
665	C	27.9	Very low	32.2	Very low	121 Å²	121	139.4 Å²	139.4	82%	0.818	74%	0.736	S	S	*	*	S	Bend	trans	-118.2	32.7	177.9	-139.8	0	0	0	0	113.9
666	I	32.7	Very low	31.6	Very low	148 Å²	148	136 Å²	136	76%	0.759	74%	0.741	S	S	*	*	S	Bend	trans	-144.6	90.8	161	-55.5	-179.7	0	0	0	107.1
667	N	27.9	Very low	31.2	Very low	161 Å²	161	141 Å²	141	86%	0.861	76%	0.762	S	S	*	*			trans	160.4	86.4	150.1	-81.2	-13.9	0	0	0	109.8
668	K	28.5	Very low	30.4	Very low	209 Å²	209	140.6 Å²	140.6	91%	0.909	77%	0.773	S	S	*	*			trans	-95.7	107	156.6	-92.2	-175.5	175.5	177.9	0	107.5
669	V	28.3	Very low	30	Very low	143 Å²	143	144.1 Å²	144.1	87%	0.867	78%	0.781	S	S	*	*			trans	-143	129.3	147.8	-179.9	0	0	0	0	108.3
670	A	31.8	Very low	29.7	Very low	89 Å²	89	149.9 Å²	149.9	74%	0.736	79%	0.794	S	S	*	*			trans	10.7	128.4	164.9	0	0	0	0	0	120.2
671	D	28	Very low	29.5	Very low	152 Å²	152	150.6 Å²	150.6	81%	0.813	80%	0.8	S	S	*	*				-171.3	170.4	90	-139.3	-23	0	0	0	112.5
672	R	28.8	Very low	29.3	Very low	232 Å²	232	155 Å²	155	88%	0.875	81%	0.811	S	S	*	*			trans	-64.2	156.2	-161.2	-72	159.9	164.1	178.8	-3.8	118.9
673	K	28.6	Very low	29.1	Very low	197 Å²	197	156 Å²	156	86%	0.857	82%	0.815	S	S	*	*			trans	-47.9	167.8	159.9	-82.7	-176.8	179.6	179.5	0	113.7
674	P	35.5	Very low	29.2	Very low	98 Å²	98	154.6 Å²	154.6	64%	0.636	81%	0.812	S	S	*	*			cis	-153.6	176	34.5	43.5	-22	0	0	0	120.8
675	H	26.6	Very low	28.9	Very low	183 Å²	183	157.8 Å²	157.8	85%	0.847	82%	0.815	S	S	*	*			trans	60.7	134.6	160.9	-58.7	-60.2	0	0	0	118.6
676	S	26.8	Very low	29.1	Very low	116 Å²	116	160.4 Å²	160.4	81%	0.811	82%	0.817	S	S	*	*			cis	-167.6	166.3	46.1	55.1	0	0	0	0	111.9
677	L	30.8	Very low	29	Very low	172 Å²	172	162.8 Å²	162.8	90%	0.901	82%	0.822	S	S	*	*			trans	-65.8	146.4	179	-68.3	97.2	0	0	0	113.9
678	S	25.4	Very low	29	Very low	124 Å²	124	158.8 Å²	158.8	87%	0.867	82%	0.819	S	S	*	*				-175.7	145.8	125.1	-172.2	0	0	0	0	111.6
679	F	27.7	Very low	28.9	Very low	170 Å²	170	154.9 Å²	154.9	75%	0.746	82%	0.817	S	S	*	*			trans	-111	150.5	-169.7	-126.4	-77.3	0	0	0	110
680	Y	29.8	Very low	28.8	Very low	211 Å²	211	158.3 Å²	158.3	83%	0.827	82%	0.82	S	S	*	*			trans	69.3	145.6	168.5	-79.4	-82.9	0	0	0	116.6
681	A	27.6	Very low	28.8	Very low	89 Å²	89	162.1 Å²	162.1	74%	0.736	83%	0.827	S	S	*	*			cis	-154.6	151.7	28.5	0	0	0	0	0	112.8
682	H	28.2	Very low	28.9	Very low	180 Å²	180	160.2 Å²	160.2	83%	0.833	83%	0.826	S	S	*	*			trans	-64.9	132.3	165.3	-110.6	-71.5	0	0	0	110.8
683	H	26.6	Very low	28.9	Very low	183 Å²	183	159 Å²	159	85%	0.847	83%	0.827	S	S	*	*			trans	-132	119.9	154.7	-130.6	-80.5	0	0	0	110.3
684	I	34.4	Very low	28.9	Very low	142 Å²	142	153.1 Å²	153.1	73%	0.728	82%	0.822	S	S	*	*			trans	-72.9	134.4	173.9	-67.7	166	0	0	0	108.2
685	K	24.8	Very low	28.8	Very low	193 Å²	193	153.1 Å²	153.1	84%	0.839	83%	0.83	S	S	*	*			trans	-138.6	105.5	162.3	-137.5	174.2	-172.3	173.1	0	109.6
686	M	32.9	Very low	29.1	Very low	177 Å²	177	154.8 Å²	154.8	87%	0.872	85%	0.854	S	S	*	*			trans	-62.9	137.4	159.5	-88.4	-168.6	174.2	0	0	109.1
687	K	30.2	Very low	29.2	Very low	198 Å²	198	156.8 Å²	156.8	86%	0.861	86%	0.856	S	S	*	*			trans	-152.5	104.3	153	-107.1	-174.3	-179.5	-170.2	0	111.8
688	G	27.7	Very low	29.1	Very low	77 Å²	77	155.9 Å²	155.9	79%	0.794	85%	0.854	S	S	*	*				42.7	123.8	125.1	0	0	0	0	0	121.5
689	C	26.6	Very low	29.3	Very low	127 Å²	127	157.7 Å²	157.7	86%	0.858	85%	0.853	S	S	*	*			trans	-49.2	139.9	150.9	-76.2	0	0	0	0	112.4
690	F	27	Very low	29.4	Very low	215 Å²	215	157 Å²	157	94%	0.943	86%	0.859	S	S	*	*			trans	-144.5	139.9	142.6	-108	-81.2	0	0	0	110.4
691	L	30.2	Very low	29.4	Very low	169 Å²	169	153.6 Å²	153.6	89%	0.885	86%	0.861	S	S	*	*			trans	-65.3	153.7	-176.2	-85.7	125.5	0	0	0	114
692	S	31.3	Very low	29.5	Very low	112 Å²	112	157.9 Å²	157.9	78%	0.783	87%	0.869	S	S	*	*			trans	-54	140.1	168.9	140.6	0	0	0	0	115.2
693	K	28.6	Very low	29.6	Very low	207 Å²	207	156.4 Å²	156.4	90%	0.9	87%	0.872	S	S	*	*			trans	178	127.1	138.4	-99.7	175.2	179.3	-178.3	0	104.3
694	G	29	Very low	29.9	Very low	73 Å²	73	154.3 Å²	154.3	75%	0.753	87%	0.874	S	S	*	*			cis	126.4	121.6	30.1	0	0	0	0	0	106.7
695	A	32.1	Very low	29.5	Very low	97 Å²	97	155.3 Å²	155.3	80%	0.802	89%	0.886	S	S	*	*			trans	75.8	134.4	160.9	0	0	0	0	0	121.1
696	T	33.2	Very low	29.9	Very low	219 Å²	219	151.9 Å²	151.9	100%	1.344	89%	0.89	S	S	*	*			trans	67.9	0	164.1	59.6	0	0	0	0	119.1

Retrieved 696 of 696 residues in 120.5 ms (Link to these results)

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