A0A087YPV0_POEFO Loading...

Protein arginine N-methyltransferase 6

AlphaFold DB , UniProt , Accession A0A087YPV0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 351 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31	Very low	39.3	Very low	238 Å²	238	145 Å²	145	100%	1.172	72%	0.723	S	S	*	*				0	105.9	0	-69.1	177.1	-155.4	0	0	106.9
2	S	30.6	Very low	41.3	Very low	115 Å²	115	144.7 Å²	144.7	80%	0.804	71%	0.714	S	S	*	*			trans	-83.2	112.9	-176.3	122.9	0	0	0	0	108.3	A4	S2-A4 VanDerWaalsContact C-N 3.3Å; S2-A4 PolarHBondContact O-N 3.06Å; S2-A4 VanDerWaalsContact O-N 3.09Å
3	Y	27	Very low	43.4	Very low	230 Å²	230	139.5 Å²	139.5	90%	0.902	70%	0.695	S	S	*	*			trans	-77	85.6	167	-92	-92.7	0	0	0	108.3	G5	Y3-G5 VanDerWaalsContact C-N 3.34Å; Y3-G5 PolarHBondContact O-N 3.43Å; Y3-G5 VanDerWaalsContact O-N 3.17Å
4	A	31.7	Very low	44.7	Very low	83 Å²	83	141.1 Å²	141.1	69%	0.686	69%	0.689	S	S	*	*			trans	-76.1	92.5	161.7	0	0	0	0	0	107.1	S2 K6	S2-A4 VanDerWaalsContact C-N 3.3Å; S2-A4 PolarHBondContact O-N 3.06Å; S2-A4 VanDerWaalsContact O-N 3.09Å; A4-K6 PolarHBondContact O-N 3.32Å
5	G	31.2	Very low	46.2	Very low	55 Å²	55	132.7 Å²	132.7	57%	0.567	65%	0.648	S	S	*	*			trans	-64.6	100.6	170.5	0	0	0	0	0	109.1	Y3 K7	Y3-G5 VanDerWaalsContact C-N 3.34Å; Y3-G5 PolarHBondContact O-N 3.43Å; Y3-G5 VanDerWaalsContact O-N 3.17Å; G5-K7 PolarHBondContact O-N 3.19Å; G5-K7 VanDerWaalsContact O-N 3.07Å
6	K	31.5	Very low	47.9	Very low	200 Å²	200	126.9 Å²	126.9	87%	0.87	62%	0.621	S	S	*	*			trans	-58.6	112.1	167.7	-79.6	178.3	173.8	178.5	0	107.7	A4 R8	A4-K6 PolarHBondContact O-N 3.32Å; K6-R8 PolarHBondContact O-N 2.89Å; K6-R8 VanDerWaalsContact O-N 3.15Å
7	K	39.7	Very low	49.3	Very low	138 Å²	138	129.4 Å²	129.4	60%	0.6	62%	0.622	S	S	*	*			trans	-50.8	122.1	165.5	-81.6	-176.3	173.8	-174.9	0	107.4	G5 K9	G5-K7 PolarHBondContact O-N 3.19Å; G5-K7 VanDerWaalsContact O-N 3.07Å; K7-K9 PolarHBondContact O-N 3.27Å
8	R	43.3	Very low	50.5	Low	237 Å²	237	126.2 Å²	126.2	89%	0.894	61%	0.612	S	S	*	*			trans	-85.3	104	-174.9	-173.5	175.5	156.3	-170.6	-7	107.3	K6 L10	K6-R8 PolarHBondContact O-N 2.89Å; K6-R8 VanDerWaalsContact O-N 3.15Å; R8-L10 PolarHBondContact O-N 3Å
9	K	46	Very low	51.8	Low	138 Å²	138	120.9 Å²	120.9	60%	0.6	59%	0.585	S	S	*	*			trans	-41.7	123	173.5	-170.6	169.4	-175.8	146.8	0	110.3	K7 D11 E316	K7-K9 PolarHBondContact O-N 3.27Å; K9-D11 PolarHBondContact O-N 3.32Å; K9-E316 WeakPolarHBondContact CE-O 3.47Å; K9-E316 PolarHBondContact NZ-O 2.94Å
10	L	53.6	Low	53	Low	52 Å²	52	117.3 Å²	117.3	27%	0.272	57%	0.566	S	S	.	*			trans	-63.1	135.4	176.4	-80.5	154	0	0	0	108.7	R8 R14 Q15	R8-L10 PolarHBondContact O-N 3Å; L10-R14 HydrophobicContact CD2-CB 4.48Å; L10-R14 HydrophobicContact CD2-CG 3.93Å; L10-Q15 HydrophobicContact CB-CG 3.56Å; L10-Q15 PolarHBondContact O-NE2 2.96Å
11	D	66.6	Low	54	Low	109 Å²	109	117 Å²	117	58%	0.583	57%	0.567	S	S	*	*			trans	-61.4	143.5	172.6	-179.1	22.1	0	0	0	110	K9 T13 R14 Q15	K9-D11 PolarHBondContact O-N 3.32Å; D11-T13 PolarHBondContact O-N 3.3Å; D11-R14 WeakPolarHBondContact O-CA 3.43Å; D11-R14 WeakPolarHBondContact O-CB 3.22Å; D11-R14 PolarHBondContact O-N 2.81Å; D11-Q15 PolarHBondContact O-N 3.46Å
12	K	63.4	Low	55.8	Low	141 Å²	141	108.3 Å²	108.3	61%	0.613	53%	0.53	S	S	*	.	H	α-helix	trans	-53.6	-43.6	-175	-173.8	-178.1	177.4	-174.8	0	111.5	R14 Q15 D16	K12-R14 PolarHBondContact O-N 3.38Å; K12-Q15 PolarHBondContact O-N 3.25Å; K12-Q15 VanDerWaalsContact O-N 3.16Å; K12-D16 PolarHBondContact O-N 3.25Å
13	T	68.3	Low	57.9	Low	77 Å²	77	104.8 Å²	104.8	47%	0.472	50%	0.5	S	S	.	.	H	α-helix	trans	-58.5	-33.5	176.6	-44	0	0	0	0	112.8	D11 R17	D11-T13 PolarHBondContact O-N 3.3Å; T13-R17 WeakPolarHBondContact O-CG 3.25Å; T13-R17 PolarHBondContact O-N 2.79Å
14	R	62.2	Low	60.2	Low	163 Å²	163	95.7 Å²	95.7	62%	0.615	47%	0.47	S	S	*	.	H	α-helix	trans	-80.5	-36.8	178.7	-171.4	173.2	170.9	-165.2	-1	111.5	L10 D11 K12 D16 R17 V18	L10-R14 HydrophobicContact CD2-CB 4.48Å; L10-R14 HydrophobicContact CD2-CG 3.93Å; D11-R14 WeakPolarHBondContact O-CA 3.43Å; D11-R14 WeakPolarHBondContact O-CB 3.22Å; D11-R14 PolarHBondContact O-N 2.81Å; K12-R14 PolarHBondContact O-N 3.38Å; R14-D16 VanDerWaalsContact C-N 3.35Å; R14-R17 PolarHBondContact O-N 2.89Å; R14-V18 WeakPolarHBondContact O-CG2 3.36Å; R14-V18 PolarHBondContact O-N 2.88Å; R14-V18 VanDerWaalsContact O-N 3.13Å
15	Q	67.3	Low	62.5	Low	15 Å²	15	95.7 Å²	95.7	7%	0.07	46%	0.458	C	S	.	.	H	α-helix	trans	-62.1	-44.1	173.1	-61.6	-175.4	19.7	0	0	111.1	L10 D11 K12 R17 V18 Y19 D317 S318	L10-Q15 HydrophobicContact CB-CG 3.56Å; L10-Q15 PolarHBondContact O-NE2 2.96Å; D11-Q15 PolarHBondContact O-N 3.46Å; K12-Q15 PolarHBondContact O-N 3.25Å; K12-Q15 VanDerWaalsContact O-N 3.16Å; Q15-R17 PolarHBondContact O-N 3.35Å; Q15-V18 PolarHBondContact O-N 3.46Å; Q15-Y19 WeakPolarHBondContact O-CB 3.45Å; Q15-Y19 PolarHBondContact O-N 3.11Å; Q15-D317 PolarHBondContact NE2-O 3.46Å; Q15-S318 PolarHBondContact OE1-OG 3.09Å
16	D	72.9	Confident	64.9	Low	40 Å²	40	97.7 Å²	97.7	21%	0.214	46%	0.459	C	S	.	.	H	α-helix	trans	-63.7	-39.6	178	-71	-23	0	0	0	111.9	K12 R14 Y19 F20 R320	K12-D16 PolarHBondContact O-N 3.25Å; R14-D16 VanDerWaalsContact C-N 3.35Å; D16-Y19 PolarHBondContact O-N 3.36Å; D16-F20 HydrophobicContact CB-CD2 4.32Å; D16-F20 HydrophobicContact CB-CE2 3.96Å; D16-F20 WeakPolarHBondContact O-CD2 3.26Å; D16-F20 WeakPolarHBondContact O-CG 3.28Å; D16-F20 PolarHBondContact O-N 3.16Å; D16-R320 IonicContact OD1-CZ 3.6Å; D16-R320 IonicContact OD1-NE 2.76Å; D16-R320 PolarHBondContact OD1-NE 2.99Å; D16-R320 IonicContact OD1-NH2 3.42Å; D16-R320 PolarHBondContact OD1-NH2 2.95Å
17	R	72.6	Confident	67.3	Low	169 Å²	169	92.3 Å²	92.3	64%	0.638	44%	0.443	S	S	*	.	H	α-helix	trans	-62	-49.9	175	-76.3	176.7	-171.9	-170.7	1.8	112.6	T13 R14 Q15 Y19 F20 D21	T13-R17 WeakPolarHBondContact O-CG 3.25Å; T13-R17 PolarHBondContact O-N 2.79Å; R14-R17 PolarHBondContact O-N 2.89Å; Q15-R17 PolarHBondContact O-N 3.35Å; R17-Y19 PolarHBondContact O-N 3.37Å; R17-F20 PolarHBondContact O-N 3.44Å; R17-D21 VanDerWaalsContact O-CB 3.32Å; R17-D21 WeakPolarHBondContact O-CB 3.35Å; R17-D21 PolarHBondContact O-N 3.07Å
18	V	71.1	Confident	69.5	Low	72 Å²	72	87.7 Å²	87.7	44%	0.436	43%	0.426	S	S	.	.	H	α-helix	trans	-59.1	-40.6	179.5	173.3	0	0	0	0	110.9	R14 Q15 S22	R14-V18 WeakPolarHBondContact O-CG2 3.36Å; R14-V18 PolarHBondContact O-N 2.88Å; R14-V18 VanDerWaalsContact O-N 3.13Å; Q15-V18 PolarHBondContact O-N 3.46Å; V18-S22 PolarHBondContact O-N 2.74Å; V18-S22 VanDerWaalsContact O-N 3.15Å
19	Y	75.1	Confident	71.7	Confident	25 Å²	25	76.8 Å²	76.8	10%	0.098	39%	0.385	C	S	.	.	H	α-helix	trans	-62.7	-50.3	174.5	172.9	-98.7	0	0	0	112.7	Q15 D16 R17 D21 S22 Y23 E136 M138 R320	Q15-Y19 WeakPolarHBondContact O-CB 3.45Å; Q15-Y19 PolarHBondContact O-N 3.11Å; D16-Y19 PolarHBondContact O-N 3.36Å; R17-Y19 PolarHBondContact O-N 3.37Å; Y19-D21 VanDerWaalsContact C-N 3.29Å; Y19-D21 PolarHBondContact O-N 2.99Å; Y19-S22 PolarHBondContact O-N 2.86Å; Y19-S22 PolarHBondContact O-OG 2.92Å; Y19-Y23 HydrophobicContact CD2-CD2 4.4Å; Y19-Y23 HydrophobicContact CD2-CE2 4.08Å; Y19-Y23 HydrophobicContact CE1-CD2 4.42Å; Y19-Y23 HydrophobicContact CE1-CE2 4.5Å; Y19-Y23 AromaticContact CE2-CD2 3.99Å; Y19-Y23 HydrophobicContact CE2-CD2 3.99Å; Y19-Y23 AromaticContact CE2-CE2 3.4Å; Y19-Y23 HydrophobicContact CE2-CE2 3.4Å; Y19-Y23 VanDerWaalsContact CE2-CE2 3.4Å; Y19-Y23 AromaticContact CZ-CD2 4Å; Y19-Y23 AromaticContact CZ-CE2 3.65Å; Y19-Y23 WeakPolarHBondContact O-CD2 3.44Å; Y19-E136 HydrophobicContact CD2-CB 4.28Å; Y19-E136 HydrophobicContact CD2-CG 4.38Å; Y19-E136 HydrophobicContact CE2-CB 3.64Å; Y19-E136 HydrophobicContact CE2-CG 3.96Å; Y19-E136 WeakPolarHBondContact CE2-OE2 3.4Å; Y19-M138 PolarHBondContact OH-SD 2.87Å; Y19-R320 VanDerWaalsContact CD1-CZ 3.49Å; Y19-R320 VanDerWaalsContact CD1-NH1 3.32Å
20	F	75.8	Confident	73.9	Confident	48 Å²	48	76.5 Å²	76.5	21%	0.211	39%	0.386	C	S	.	.	H	α-helix	trans	-69.5	-28	-179.7	-63.6	-49.2	0	0	0	113	D16 R17 Y23 S24 A85 C86 T111	D16-F20 HydrophobicContact CB-CD2 4.32Å; D16-F20 HydrophobicContact CB-CE2 3.96Å; D16-F20 WeakPolarHBondContact O-CD2 3.26Å; D16-F20 WeakPolarHBondContact O-CG 3.28Å; D16-F20 PolarHBondContact O-N 3.16Å; R17-F20 PolarHBondContact O-N 3.44Å; F20-Y23 PolarHBondContact O-N 3.24Å; F20-S24 PolarHBondContact O-N 3.37Å; F20-S24 PolarHBondContact O-OG 2.89Å; F20-S24 VanDerWaalsContact O-OG 3.06Å; F20-A85 HydrophobicContact CD1-CB 3.78Å; F20-A85 HydrophobicContact CD2-CB 4.45Å; F20-A85 HydrophobicContact CE1-CB 3.49Å; F20-A85 VanDerWaalsContact CE1-CB 3.49Å; F20-A85 HydrophobicContact CE2-CB 4.21Å; F20-A85 HydrophobicContact CG-CB 4.27Å; F20-A85 HydrophobicContact CZ-CB 3.73Å; F20-C86 VanDerWaalsContact CA-SG 3.57Å; F20-C86 VanDerWaalsContact CD1-SG 3.52Å; F20-C86 PolarHBondContact O-SG 3.12Å; F20-T111 HydrophobicContact CE2-CG2 4.23Å; F20-T111 HydrophobicContact CZ-CG2 4.06Å
21	D	73	Confident	75.7	Confident	111 Å²	111	78 Å²	78	59%	0.594	39%	0.392	S	S	*	.	H	α-helix	trans	-68.4	-36	174.6	-71.2	-17.8	0	0	0	111.1	R17 Y19 Y23 S24	R17-D21 VanDerWaalsContact O-CB 3.32Å; R17-D21 WeakPolarHBondContact O-CB 3.35Å; R17-D21 PolarHBondContact O-N 3.07Å; Y19-D21 VanDerWaalsContact C-N 3.29Å; Y19-D21 PolarHBondContact O-N 2.99Å; D21-Y23 VanDerWaalsContact C-N 3.29Å; D21-Y23 PolarHBondContact O-N 3.35Å; D21-S24 WeakPolarHBondContact O-CB 3.43Å; D21-S24 PolarHBondContact O-N 2.93Å; D21-S24 VanDerWaalsContact O-N 3.1Å
22	S	70.1	Confident	77	Confident	56 Å²	56	73.6 Å²	73.6	39%	0.392	37%	0.368	S	S	.	.	H	α-helix	trans	-65.6	-31.6	177.5	67.7	0	0	0	0	113	V18 Y19 S24 V28	V18-S22 PolarHBondContact O-N 2.74Å; V18-S22 VanDerWaalsContact O-N 3.15Å; Y19-S22 PolarHBondContact O-N 2.86Å; Y19-S22 PolarHBondContact O-OG 2.92Å; S22-S24 VanDerWaalsContact C-N 3.31Å; S22-V28 WeakPolarHBondContact O-CG2 3.33Å
23	Y	74.4	Confident	78.5	Confident	42 Å²	42	70.5 Å²	70.5	17%	0.165	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	2.7	175.1	-77.2	-81.9	0	0	0	113.9	Y19 F20 D21 V28 H29 M32 E136	Y19-Y23 HydrophobicContact CD2-CD2 4.4Å; Y19-Y23 HydrophobicContact CD2-CE2 4.08Å; Y19-Y23 HydrophobicContact CE1-CD2 4.42Å; Y19-Y23 HydrophobicContact CE1-CE2 4.5Å; Y19-Y23 AromaticContact CE2-CD2 3.99Å; Y19-Y23 HydrophobicContact CE2-CD2 3.99Å; Y19-Y23 AromaticContact CE2-CE2 3.4Å; Y19-Y23 HydrophobicContact CE2-CE2 3.4Å; Y19-Y23 VanDerWaalsContact CE2-CE2 3.4Å; Y19-Y23 AromaticContact CZ-CD2 4Å; Y19-Y23 AromaticContact CZ-CE2 3.65Å; Y19-Y23 WeakPolarHBondContact O-CD2 3.44Å; F20-Y23 PolarHBondContact O-N 3.24Å; D21-Y23 VanDerWaalsContact C-N 3.29Å; D21-Y23 PolarHBondContact O-N 3.35Å; Y23-V28 HydrophobicContact CD1-CG1 3.91Å; Y23-V28 HydrophobicContact CE1-CG1 3.77Å; Y23-H29 PolarHBondContact O-NE2 2.87Å; Y23-M32 HydrophobicContact CD1-CE 4.29Å; Y23-M32 HydrophobicContact CE1-CE 4.15Å; Y23-M32 HydrophobicContact CE1-SD 4.29Å; Y23-E136 WeakPolarHBondContact CE2-OE2 3.43Å; Y23-E136 PolarHBondContact OH-OE2 3.3Å
24	S	73.9	Confident	79.8	Confident	39 Å²	39	70.5 Å²	70.5	27%	0.273	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-12.9	173.2	-66.2	0	0	0	0	112.7	F20 D21 S22 S87	F20-S24 PolarHBondContact O-N 3.37Å; F20-S24 PolarHBondContact O-OG 2.89Å; F20-S24 VanDerWaalsContact O-OG 3.06Å; D21-S24 WeakPolarHBondContact O-CB 3.43Å; D21-S24 PolarHBondContact O-N 2.93Å; D21-S24 VanDerWaalsContact O-N 3.1Å; S22-S24 VanDerWaalsContact C-N 3.31Å; S24-S87 WeakPolarHBondContact CB-OG 3.45Å; S24-S87 PolarHBondContact OG-OG 2.93Å
25	D	80.1	Confident	81.5	Confident	83 Å²	83	63.4 Å²	63.4	44%	0.444	34%	0.339	S	S	.	.	S	Bend	trans	-85.1	138.4	178.1	-164.8	-70.1	0	0	0	111.9	T27 H29	D25-T27 PolarHBondContact O-N 3.09Å; D25-T27 WeakPolarHBondContact OD1-CB 3.48Å; D25-T27 PolarHBondContact OD1-N 3.39Å; D25-T27 PolarHBondContact OD1-OG1 3.3Å; D25-H29 PolarHBondContact O-CD2 2.81Å
26	V	81.8	Confident	82.9	Confident	96 Å²	96	70.6 Å²	70.6	58%	0.582	37%	0.367	S	S	*	.	H	α-helix	trans	-61.3	-30	-179.8	67.3	0	0	0	0	112.9	V28 H29 E30	V26-V28 VanDerWaalsContact C-N 3.31Å; V26-V28 PolarHBondContact O-N 3.18Å; V26-H29 PolarHBondContact O-N 3.03Å; V26-H29 VanDerWaalsContact O-N 3.14Å; V26-E30 WeakPolarHBondContact O-CB 3.47Å; V26-E30 PolarHBondContact O-N 3.08Å
27	T	83.3	Confident	84.1	Confident	88 Å²	88	70.4 Å²	70.4	54%	0.54	37%	0.367	S	S	.	.	H	α-helix	trans	-60.6	-40.7	-173.4	-48.3	0	0	0	0	111.7	D25 E30 E31	D25-T27 PolarHBondContact O-N 3.09Å; D25-T27 WeakPolarHBondContact OD1-CB 3.48Å; D25-T27 PolarHBondContact OD1-N 3.39Å; D25-T27 PolarHBondContact OD1-OG1 3.3Å; T27-E30 PolarHBondContact O-N 3.1Å; T27-E31 PolarHBondContact O-N 2.97Å
28	V	85.9	Confident	85.3	Confident	40 Å²	40	63.1 Å²	63.1	24%	0.242	34%	0.34	C	S	.	.	H	α-helix	trans	-68	-41.4	179.2	-175.9	0	0	0	0	110.5	S22 Y23 V26 E31 M32	S22-V28 WeakPolarHBondContact O-CG2 3.33Å; Y23-V28 HydrophobicContact CD1-CG1 3.91Å; Y23-V28 HydrophobicContact CE1-CG1 3.77Å; V26-V28 VanDerWaalsContact C-N 3.31Å; V26-V28 PolarHBondContact O-N 3.18Å; V28-E31 PolarHBondContact O-N 3.34Å; V28-M32 HydrophobicContact CG1-CE 4.1Å; V28-M32 WeakPolarHBondContact O-CB 3.47Å; V28-M32 VanDerWaalsContact O-CG 3.29Å; V28-M32 WeakPolarHBondContact O-CG 3.46Å; V28-M32 PolarHBondContact O-N 3.14Å
29	H	88.7	Confident	86.6	Confident	8 Å²	8	60.6 Å²	60.6	4%	0.037	33%	0.325	C	S	.	.	H	α-helix	trans	-69.1	-36.4	177	-65.5	-74.9	0	0	0	112.6	Y23 D25 V26 M32 I33 T65	Y23-H29 PolarHBondContact O-NE2 2.87Å; D25-H29 PolarHBondContact O-CD2 2.81Å; V26-H29 PolarHBondContact O-N 3.03Å; V26-H29 VanDerWaalsContact O-N 3.14Å; H29-M32 HydrophobicContact CB-CE 4.46Å; H29-M32 WeakPolarHBondContact ND1-CE 3.49Å; H29-I33 WeakPolarHBondContact O-CB 3.37Å; H29-I33 VanDerWaalsContact O-CG1 3.24Å; H29-I33 WeakPolarHBondContact O-CG1 3.38Å; H29-I33 PolarHBondContact O-N 3.33Å; H29-T65 HydrophobicContact CB-CG2 3.96Å
30	E	92.2	Very high	87.7	Confident	132 Å²	132	61.5 Å²	61.5	62%	0.617	33%	0.331	S	S	*	.	H	α-helix	trans	-62.4	-49.6	174.3	-175.3	177.3	158.8	0	0	110.9	V26 T27 M32 I33 A34	V26-E30 WeakPolarHBondContact O-CB 3.47Å; V26-E30 PolarHBondContact O-N 3.08Å; T27-E30 PolarHBondContact O-N 3.1Å; E30-M32 PolarHBondContact O-N 3.37Å; E30-I33 PolarHBondContact O-N 3.32Å; E30-A34 WeakPolarHBondContact O-CB 3.36Å; E30-A34 PolarHBondContact O-N 3.23Å
31	E	91.4	Very high	88.7	Confident	84 Å²	84	60.2 Å²	60.2	39%	0.393	33%	0.327	S	S	.	.	H	α-helix	trans	-57.6	-48.5	176.3	-179.4	173	-145.6	0	0	111.4	T27 V28 I33 A34 D35 H286	T27-E31 PolarHBondContact O-N 2.97Å; V28-E31 PolarHBondContact O-N 3.34Å; E31-I33 PolarHBondContact O-N 2.8Å; E31-A34 PolarHBondContact O-N 2.84Å; E31-D35 PolarHBondContact O-N 2.84Å; E31-H286 HydrophobicContact CG-CB 3.77Å
32	M	94	Very high	89.9	Confident	16 Å²	16	55 Å²	55	8%	0.079	30%	0.299	C	S	.	.	H	α-helix	trans	-60.2	-41.6	178.5	-82	-165.6	-58.8	0	0	113.2	Y23 V28 H29 E30 R38 T39	Y23-M32 HydrophobicContact CD1-CE 4.29Å; Y23-M32 HydrophobicContact CE1-CE 4.15Å; Y23-M32 HydrophobicContact CE1-SD 4.29Å; V28-M32 HydrophobicContact CG1-CE 4.1Å; V28-M32 WeakPolarHBondContact O-CB 3.47Å; V28-M32 VanDerWaalsContact O-CG 3.29Å; V28-M32 WeakPolarHBondContact O-CG 3.46Å; V28-M32 PolarHBondContact O-N 3.14Å; H29-M32 HydrophobicContact CB-CE 4.46Å; H29-M32 WeakPolarHBondContact ND1-CE 3.49Å; E30-M32 PolarHBondContact O-N 3.37Å; M32-R38 VanDerWaalsContact C-NH1 3.28Å; M32-R38 PolarHBondContact O-NH1 3.32Å; M32-R38 PolarHBondContact SD-NH2 2.85Å; M32-T39 PolarHBondContact O-OG1 2.91Å
33	I	95.1	Very high	91.3	Very high	77 Å²	77	57.2 Å²	57.2	40%	0.395	30%	0.299	S	S	.	.	H	α-helix	trans	-78.5	-37.3	-179.2	-68.3	169.3	0	0	0	111.1	H29 E30 E31 D35 T39 T65	H29-I33 WeakPolarHBondContact O-CB 3.37Å; H29-I33 VanDerWaalsContact O-CG1 3.24Å; H29-I33 WeakPolarHBondContact O-CG1 3.38Å; H29-I33 PolarHBondContact O-N 3.33Å; E30-I33 PolarHBondContact O-N 3.32Å; E31-I33 PolarHBondContact O-N 2.8Å; I33-D35 PolarHBondContact O-N 2.76Å; I33-T39 PolarHBondContact O-OG1 2.8Å; I33-T65 HydrophobicContact CD1-CG2 4.41Å
34	A	95.4	Very high	92.4	Very high	77 Å²	77	57.1 Å²	57.1	64%	0.636	30%	0.303	S	S	*	.	H	α-helix	trans	-66.3	-25.3	176.8	0	0	0	0	0	112.6	E30 E31 Y36	E30-A34 WeakPolarHBondContact O-CB 3.36Å; E30-A34 PolarHBondContact O-N 3.23Å; E31-A34 PolarHBondContact O-N 2.84Å; A34-Y36 VanDerWaalsContact C-N 3.29Å; A34-Y36 PolarHBondContact O-N 2.84Å
35	D	97.1	Very high	93.5	Very high	13 Å²	13	55.3 Å²	55.3	7%	0.07	29%	0.29	C	S	.	.			trans	-63.5	90.6	165.7	-173.4	-21.5	0	0	0	110.1	E31 I33 V37 R38 T39 T285 H286	E31-D35 PolarHBondContact O-N 2.84Å; I33-D35 PolarHBondContact O-N 2.76Å; D35-V37 VanDerWaalsContact C-N 3.27Å; D35-V37 PolarHBondContact O-N 3Å; D35-V37 PolarHBondContact OD1-N 3.15Å; D35-V37 VanDerWaalsContact OD1-N 3.15Å; D35-R38 HydrophobicContact CB-CB 3.95Å; D35-R38 PolarHBondContact O-N 2.81Å; D35-R38 WeakPolarHBondContact OD1-CB 3.45Å; D35-R38 PolarHBondContact OD1-N 3Å; D35-T39 WeakPolarHBondContact O-CB 3.44Å; D35-T39 PolarHBondContact O-N 3.27Å; D35-T39 PolarHBondContact O-OG1 2.65Å; D35-T39 VanDerWaalsContact O-OG1 3.09Å; D35-T285 VanDerWaalsContact OD2-CA 3.3Å; D35-T285 WeakPolarHBondContact OD2-CA 3.33Å; D35-T285 WeakPolarHBondContact OD2-CB 3.49Å; D35-H286 HydrophobicContact CB-CB 4.44Å; D35-H286 IonicContact OD2-CE1 3.82Å; D35-H286 IonicContact OD2-CG 3.79Å; D35-H286 PolarHBondContact OD2-N 3.39Å; D35-H286 IonicContact OD2-ND1 3.6Å; D35-H286 PolarHBondContact OD2-ND1 3.24Å
36	Y	96.6	Very high	94.3	Very high	166 Å²	166	51.3 Å²	51.3	65%	0.651	27%	0.269	S	S	*	.	H	α-helix	trans	-64.6	-33.3	-178.7	-177	-96.1	0	0	0	112	A34 N40	A34-Y36 VanDerWaalsContact C-N 3.29Å; A34-Y36 PolarHBondContact O-N 2.84Å; Y36-N40 HydrophobicContact CD1-CB 4.26Å; Y36-N40 HydrophobicContact CD2-CB 4.39Å; Y36-N40 HydrophobicContact CE1-CB 3.97Å; Y36-N40 HydrophobicContact CE2-CB 4.11Å; Y36-N40 HydrophobicContact CG-CB 4.46Å; Y36-N40 WeakPolarHBondContact O-CB 3.44Å; Y36-N40 PolarHBondContact O-N 3.31Å
37	V	97.8	Very high	95	Very high	37 Å²	37	49.4 Å²	49.4	22%	0.224	26%	0.255	C	S	.	.	H	α-helix	trans	-66.1	-50	-179.6	179	0	0	0	0	109.1	D35 T41 L276 P283 T285	D35-V37 VanDerWaalsContact C-N 3.27Å; D35-V37 PolarHBondContact O-N 3Å; D35-V37 PolarHBondContact OD1-N 3.15Å; D35-V37 VanDerWaalsContact OD1-N 3.15Å; V37-T41 WeakPolarHBondContact O-CB 3.5Å; V37-T41 PolarHBondContact O-N 2.98Å; V37-T41 VanDerWaalsContact O-N 3.12Å; V37-T41 PolarHBondContact O-OG1 3.3Å; V37-L276 HydrophobicContact CG1-CD1 3.87Å; V37-P283 HydrophobicContact CG2-CB 3.75Å; V37-T285 HydrophobicContact CB-CG2 4.01Å; V37-T285 HydrophobicContact CG1-CG2 3.82Å
38	R	98.5	Very high	95.6	Very high	16 Å²	16	49.6 Å²	49.6	6%	0.06	25%	0.248	C	C	.	.	H	α-helix	trans	-55.3	-63.7	171.8	171.2	-176.7	175.7	-89.7	2.2	111.2	M32 D35 N40 T41 Y42 E127 W287	M32-R38 VanDerWaalsContact C-NH1 3.28Å; M32-R38 PolarHBondContact O-NH1 3.32Å; M32-R38 PolarHBondContact SD-NH2 2.85Å; D35-R38 HydrophobicContact CB-CB 3.95Å; D35-R38 PolarHBondContact O-N 2.81Å; D35-R38 WeakPolarHBondContact OD1-CB 3.45Å; D35-R38 PolarHBondContact OD1-N 3Å; R38-N40 PolarHBondContact O-N 3.3Å; R38-T41 PolarHBondContact O-N 3.06Å; R38-Y42 HydrophobicContact CG-CD2 4.46Å; R38-Y42 WeakPolarHBondContact O-CD2 3.2Å; R38-Y42 PolarHBondContact O-N 3.31Å; R38-Y42 VanDerWaalsContact O-N 3.13Å; R38-E127 IonicContact CZ-OE2 3.64Å; R38-E127 VanDerWaalsContact CZ-OE2 3.24Å; R38-E127 IonicContact NE-OE2 3.39Å; R38-E127 PolarHBondContact NE-OE2 3.33Å; R38-E127 IonicContact NH2-OE2 2.71Å; R38-E127 PolarHBondContact NH2-OE2 2.77Å; R38-W287 HydrophobicContact CB-CH2 4.08Å; R38-W287 HydrophobicContact CB-CZ3 3.87Å; R38-W287 HydrophobicContact CG-CH2 3.65Å; R38-W287 HydrophobicContact CG-CZ3 3.99Å
39	T	98.1	Very high	96.1	Very high	19 Å²	19	47.7 Å²	47.7	12%	0.117	24%	0.237	C	C	.	.	H	α-helix	trans	-64.5	-41.8	-167.4	-58.8	0	0	0	0	111.7	M32 I33 D35 R43 F71	M32-T39 PolarHBondContact O-OG1 2.91Å; I33-T39 PolarHBondContact O-OG1 2.8Å; D35-T39 WeakPolarHBondContact O-CB 3.44Å; D35-T39 PolarHBondContact O-N 3.27Å; D35-T39 PolarHBondContact O-OG1 2.65Å; D35-T39 VanDerWaalsContact O-OG1 3.09Å; T39-R43 WeakPolarHBondContact O-CB 3.37Å; T39-R43 PolarHBondContact O-N 3.42Å; T39-F71 HydrophobicContact CG2-CE2 4.22Å; T39-F71 HydrophobicContact CG2-CZ 4.2Å
40	N	97.9	Very high	96.5	Very high	44 Å²	44	48.7 Å²	48.7	24%	0.235	25%	0.245	C	C	.	.	H	α-helix	trans	-74.6	-29.6	-179.9	-167.8	55	0	0	0	112.7	Y36 R38 R43 T44	Y36-N40 HydrophobicContact CD1-CB 4.26Å; Y36-N40 HydrophobicContact CD2-CB 4.39Å; Y36-N40 HydrophobicContact CE1-CB 3.97Å; Y36-N40 HydrophobicContact CE2-CB 4.11Å; Y36-N40 HydrophobicContact CG-CB 4.46Å; Y36-N40 WeakPolarHBondContact O-CB 3.44Å; Y36-N40 PolarHBondContact O-N 3.31Å; R38-N40 PolarHBondContact O-N 3.3Å; N40-R43 PolarHBondContact O-N 3.13Å; N40-T44 VanDerWaalsContact O-CB 3.25Å; N40-T44 WeakPolarHBondContact O-CB 3.4Å; N40-T44 PolarHBondContact O-N 3.34Å; N40-T44 PolarHBondContact O-OG1 3Å
41	T	98.1	Very high	96.6	Very high	20 Å²	20	48.7 Å²	48.7	12%	0.123	25%	0.245	C	C	.	.	H	α-helix	trans	-66.8	-44	174.6	-58.5	0	0	0	0	110.9	V37 R38 T44 A45 F265 L274 L276	V37-T41 WeakPolarHBondContact O-CB 3.5Å; V37-T41 PolarHBondContact O-N 2.98Å; V37-T41 VanDerWaalsContact O-N 3.12Å; V37-T41 PolarHBondContact O-OG1 3.3Å; R38-T41 PolarHBondContact O-N 3.06Å; T41-T44 PolarHBondContact O-N 3.35Å; T41-A45 WeakPolarHBondContact O-CB 3.03Å; T41-A45 PolarHBondContact O-N 3.48Å; T41-F265 HydrophobicContact CG2-CD2 4.27Å; T41-F265 HydrophobicContact CG2-CE2 3.91Å; T41-L274 HydrophobicContact CG2-CD2 3.76Å; T41-L274 HydrophobicContact CG2-CG 3.86Å; T41-L274 WeakPolarHBondContact O-CD2 3.25Å; T41-L276 HydrophobicContact CG2-CB 3.8Å
42	Y	98.6	Very high	96.8	Very high	1 Å²	1	49 Å²	49	0%	0.004	25%	0.248	C	C	.	.	H	α-helix	trans	-59.8	-49.4	172.2	-91.3	-89.1	0	0	0	112.2	R38 T44 A45 I46 L68 V125 S126 E127 M129 P158 F265 L276	R38-Y42 HydrophobicContact CG-CD2 4.46Å; R38-Y42 WeakPolarHBondContact O-CD2 3.2Å; R38-Y42 PolarHBondContact O-N 3.31Å; R38-Y42 VanDerWaalsContact O-N 3.13Å; Y42-T44 VanDerWaalsContact C-N 3.29Å; Y42-T44 PolarHBondContact O-N 2.86Å; Y42-A45 PolarHBondContact O-N 3.02Å; Y42-I46 WeakPolarHBondContact O-CB 3.25Å; Y42-I46 WeakPolarHBondContact O-CD1 3.46Å; Y42-I46 VanDerWaalsContact O-CG1 3.28Å; Y42-I46 WeakPolarHBondContact O-CG1 3.08Å; Y42-I46 PolarHBondContact O-N 3.43Å; Y42-L68 HydrophobicContact CD1-CD1 3.84Å; Y42-L68 HydrophobicContact CD1-CD2 3.94Å; Y42-L68 HydrophobicContact CE1-CD1 4.02Å; Y42-L68 HydrophobicContact CG-CD1 4.43Å; Y42-L68 HydrophobicContact CG-CD2 3.92Å; Y42-V125 HydrophobicContact CD1-CG2 4.33Å; Y42-V125 HydrophobicContact CE1-CG2 4.36Å; Y42-S126 WeakPolarHBondContact CE1-O 3.44Å; Y42-S126 PolarHBondContact OH-O 3.48Å; Y42-E127 HydrophobicContact CD2-CG 4.4Å; Y42-E127 HydrophobicContact CE1-CB 4.12Å; Y42-E127 HydrophobicContact CE2-CB 3.99Å; Y42-E127 HydrophobicContact CE2-CG 3.52Å; Y42-E127 VanDerWaalsContact OH-CA 3.27Å; Y42-E127 WeakPolarHBondContact OH-CA 3.48Å; Y42-E127 WeakPolarHBondContact OH-CG 3.18Å; Y42-M129 HydrophobicContact CE2-CE 4.12Å; Y42-M129 WeakPolarHBondContact OH-CE 3.44Å; Y42-P158 WeakPolarHBondContact OH-CD 3.42Å; Y42-F265 AromaticContact CD1-CE1 3.88Å; Y42-F265 HydrophobicContact CD1-CE1 3.88Å; Y42-F265 AromaticContact CD1-CZ 3.96Å; Y42-F265 HydrophobicContact CD1-CZ 3.96Å; Y42-F265 HydrophobicContact CD2-CZ 4.03Å; Y42-F265 AromaticContact CE1-CE1 3.75Å; Y42-F265 HydrophobicContact CE1-CE1 3.75Å; Y42-F265 AromaticContact CE1-CZ 3.79Å; Y42-F265 HydrophobicContact CE1-CZ 3.79Å; Y42-F265 AromaticContact CE2-CZ 3.84Å; Y42-F265 HydrophobicContact CE2-CZ 3.84Å; Y42-F265 HydrophobicContact CG-CE1 4.39Å; Y42-F265 HydrophobicContact CG-CZ 4.07Å; Y42-F265 AromaticContact CZ-CZ 3.72Å; Y42-L276 HydrophobicContact CD2-CD2 4.42Å; Y42-L276 HydrophobicContact CE2-CD2 4Å
43	R	98.4	Very high	97	Very high	104 Å²	104	48.2 Å²	48.2	39%	0.392	25%	0.245	S	C	.	.	H	α-helix	trans	-54.8	-47.8	176.6	-175.3	176.1	175.1	-92.6	-3.4	111.3	T39 N40 I46 L47 F71	T39-R43 WeakPolarHBondContact O-CB 3.37Å; T39-R43 PolarHBondContact O-N 3.42Å; N40-R43 PolarHBondContact O-N 3.13Å; R43-I46 PolarHBondContact O-N 2.91Å; R43-L47 HydrophobicContact CG-CD1 3.92Å; R43-L47 WeakPolarHBondContact O-CB 3.18Å; R43-L47 VanDerWaalsContact O-CG 3.25Å; R43-L47 WeakPolarHBondContact O-CG 3.25Å; R43-L47 PolarHBondContact O-N 3.37Å; R43-F71 HydrophobicContact CB-CD1 4.46Å; R43-F71 HydrophobicContact CB-CD2 3.83Å; R43-F71 HydrophobicContact CB-CE1 4.28Å; R43-F71 HydrophobicContact CB-CE2 3.62Å; R43-F71 HydrophobicContact CB-CG 4.26Å; R43-F71 HydrophobicContact CB-CZ 3.86Å; R43-F71 HydrophobicContact CG-CD1 3.99Å; R43-F71 HydrophobicContact CG-CD2 4.23Å; R43-F71 HydrophobicContact CG-CE1 3.93Å; R43-F71 HydrophobicContact CG-CE2 4.17Å; R43-F71 HydrophobicContact CG-CG 4.15Å; R43-F71 HydrophobicContact CG-CZ 4.02Å
44	T	97.3	Very high	97.2	Very high	40 Å²	40	51 Å²	51	25%	0.245	25%	0.25	C	C	.	.	H	α-helix	trans	-65.4	-43.8	-179.6	-58.6	0	0	0	0	111.3	N40 T41 Y42 I46 L47 K48 L274	N40-T44 VanDerWaalsContact O-CB 3.25Å; N40-T44 WeakPolarHBondContact O-CB 3.4Å; N40-T44 PolarHBondContact O-N 3.34Å; N40-T44 PolarHBondContact O-OG1 3Å; T41-T44 PolarHBondContact O-N 3.35Å; Y42-T44 VanDerWaalsContact C-N 3.29Å; Y42-T44 PolarHBondContact O-N 2.86Å; T44-I46 PolarHBondContact O-N 3.48Å; T44-L47 PolarHBondContact O-N 3.17Å; T44-K48 HydrophobicContact CG2-CD 4.09Å; T44-K48 HydrophobicContact CG2-CG 4.24Å; T44-K48 VanDerWaalsContact O-CB 3.3Å; T44-K48 WeakPolarHBondContact O-CB 3.41Å; T44-K48 VanDerWaalsContact O-CG 3.29Å; T44-K48 WeakPolarHBondContact O-CG 3.21Å; T44-K48 PolarHBondContact O-N 2.84Å; T44-L274 HydrophobicContact CG2-CD2 3.79Å
45	A	96.6	Very high	97.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-58.9	-48.4	177.2	0	0	0	0	0	111.8	T41 Y42 K48 N49 F265 L274	T41-A45 WeakPolarHBondContact O-CB 3.03Å; T41-A45 PolarHBondContact O-N 3.48Å; Y42-A45 PolarHBondContact O-N 3.02Å; A45-K48 PolarHBondContact O-N 3.46Å; A45-N49 PolarHBondContact O-N 3.09Å; A45-N49 VanDerWaalsContact O-N 3.12Å; A45-N49 PolarHBondContact O-ND2 3.01Å; A45-F265 HydrophobicContact CB-CB 3.65Å; A45-F265 HydrophobicContact CB-CD1 3.31Å; A45-F265 HydrophobicContact CB-CD2 3.99Å; A45-F265 HydrophobicContact CB-CE1 3.89Å; A45-F265 HydrophobicContact CB-CE2 4.5Å; A45-F265 HydrophobicContact CB-CG 3.36Å; A45-F265 HydrophobicContact CB-CZ 4.44Å; A45-L274 HydrophobicContact CB-CD2 3.97Å
46	I	97.9	Very high	97.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.2	-48.9	179.9	-69.2	164.6	0	0	0	110.2	Y42 R43 T44 K48 N49 S50 I53 F71 A75 V125 L157	Y42-I46 WeakPolarHBondContact O-CB 3.25Å; Y42-I46 WeakPolarHBondContact O-CD1 3.46Å; Y42-I46 VanDerWaalsContact O-CG1 3.28Å; Y42-I46 WeakPolarHBondContact O-CG1 3.08Å; Y42-I46 PolarHBondContact O-N 3.43Å; R43-I46 PolarHBondContact O-N 2.91Å; T44-I46 PolarHBondContact O-N 3.48Å; I46-K48 PolarHBondContact O-N 2.94Å; I46-N49 CarbonylContact O-C 3.58Å; I46-N49 PolarHBondContact O-N 3.09Å; I46-N49 VanDerWaalsContact O-N 3.09Å; I46-S50 PolarHBondContact O-N 3.33Å; I46-I53 HydrophobicContact CG2-CD1 3.88Å; I46-I53 WeakPolarHBondContact O-CD1 3.42Å; I46-F71 HydrophobicContact CB-CB 4.4Å; I46-F71 HydrophobicContact CD1-CB 3.74Å; I46-F71 HydrophobicContact CD1-CD2 4.22Å; I46-F71 HydrophobicContact CG2-CB 4.05Å; I46-F71 WeakPolarHBondContact CG2-O 3.38Å; I46-A75 HydrophobicContact CG2-CB 3.82Å; I46-V125 HydrophobicContact CD1-CG2 4.11Å; I46-V125 HydrophobicContact CG1-CG2 4.48Å; I46-L157 HydrophobicContact CG1-CD1 4.09Å
47	L	97	Very high	97.5	Very high	56 Å²	56	45 Å²	45	29%	0.293	23%	0.226	S	C	.	.	H	α-helix	trans	-66.3	-37.3	-179.9	-67.1	176	0	0	0	112.8	R43 T44 N49 S50 Q74 A75	R43-L47 HydrophobicContact CG-CD1 3.92Å; R43-L47 WeakPolarHBondContact O-CB 3.18Å; R43-L47 VanDerWaalsContact O-CG 3.25Å; R43-L47 WeakPolarHBondContact O-CG 3.25Å; R43-L47 PolarHBondContact O-N 3.37Å; T44-L47 PolarHBondContact O-N 3.17Å; L47-N49 PolarHBondContact O-N 3.35Å; L47-S50 VanDerWaalsContact O-CB 3.25Å; L47-S50 WeakPolarHBondContact O-CB 3.5Å; L47-S50 PolarHBondContact O-N 2.75Å; L47-S50 PolarHBondContact O-OG 3.3Å; L47-Q74 HydrophobicContact CD2-CB 4.48Å; L47-A75 HydrophobicContact CD2-CB 4.32Å
48	K	95.5	Very high	97.6	Very high	91 Å²	91	43.2 Å²	43.2	40%	0.396	22%	0.215	S	C	.	.	H	α-helix	trans	-65	-23.5	173.3	-77.9	-170.2	172.1	-143.9	0	113.1	T44 A45 I46	T44-K48 HydrophobicContact CG2-CD 4.09Å; T44-K48 HydrophobicContact CG2-CG 4.24Å; T44-K48 VanDerWaalsContact O-CB 3.3Å; T44-K48 WeakPolarHBondContact O-CB 3.41Å; T44-K48 VanDerWaalsContact O-CG 3.29Å; T44-K48 WeakPolarHBondContact O-CG 3.21Å; T44-K48 PolarHBondContact O-N 2.84Å; A45-K48 PolarHBondContact O-N 3.46Å; I46-K48 PolarHBondContact O-N 2.94Å
49	N	95.8	Very high	97.6	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	15.5	174	-75.3	-81.5	0	0	0	112.7	A45 I46 L47 E51 L52 I53 L155 P266	A45-N49 PolarHBondContact O-N 3.09Å; A45-N49 VanDerWaalsContact O-N 3.12Å; A45-N49 PolarHBondContact O-ND2 3.01Å; I46-N49 CarbonylContact O-C 3.58Å; I46-N49 PolarHBondContact O-N 3.09Å; I46-N49 VanDerWaalsContact O-N 3.09Å; L47-N49 PolarHBondContact O-N 3.35Å; N49-E51 PolarHBondContact O-N 3.48Å; N49-E51 VanDerWaalsContact O-N 3.13Å; N49-L52 CarbonylContact O-C 3.56Å; N49-L52 WeakPolarHBondContact O-CA 3.31Å; N49-L52 PolarHBondContact O-N 3.39Å; N49-I53 HydrophobicContact CB-CD1 4.01Å; N49-I53 HydrophobicContact CB-CG1 4.36Å; N49-I53 WeakPolarHBondContact O-CG1 3.42Å; N49-I53 PolarHBondContact O-N 3.22Å; N49-L155 HydrophobicContact CB-CD2 4.16Å; N49-P266 PolarHBondContact ND2-O 3.29Å; N49-P266 PolarHBondContact OD1-O 3.15Å
50	S	96.4	Very high	97.6	Very high	29 Å²	29	41.6 Å²	41.6	20%	0.203	21%	0.207	C	C	.	.	H	α-helix	trans	-54.3	-38.2	-176.3	64.5	0	0	0	0	113.2	I46 L47 L52 I53 R54	I46-S50 PolarHBondContact O-N 3.33Å; L47-S50 VanDerWaalsContact O-CB 3.25Å; L47-S50 WeakPolarHBondContact O-CB 3.5Å; L47-S50 PolarHBondContact O-N 2.75Å; L47-S50 PolarHBondContact O-OG 3.3Å; S50-L52 VanDerWaalsContact C-N 3.26Å; S50-L52 PolarHBondContact O-N 3.17Å; S50-I53 PolarHBondContact O-N 2.97Å; S50-I53 VanDerWaalsContact O-N 3.17Å; S50-R54 WeakPolarHBondContact O-CB 3.39Å; S50-R54 PolarHBondContact O-N 3.25Å
51	E	95.3	Very high	97.7	Very high	132 Å²	132	39.7 Å²	39.7	62%	0.617	20%	0.197	S	C	*	.	H	α-helix	trans	-68.3	-25.5	178.5	-63.7	-53.4	114.6	0	0	113.3	N49 R54	N49-E51 PolarHBondContact O-N 3.48Å; N49-E51 VanDerWaalsContact O-N 3.13Å; E51-R54 IonicContact OE1-CZ 3.69Å; E51-R54 IonicContact OE1-NE 3.95Å; E51-R54 PolarHBondContact OE1-NE 2.93Å; E51-R54 IonicContact OE1-NH2 3.3Å; E51-R54 PolarHBondContact OE1-NH2 3.42Å
52	L	95.8	Very high	97.6	Very high	90 Å²	90	40.1 Å²	40.1	47%	0.471	21%	0.205	S	C	.	.	H	α-helix	trans	-86.7	-20.7	173.5	-62.1	-179.7	0	0	0	112.6	N49 S50 K56 L155 P268	N49-L52 CarbonylContact O-C 3.56Å; N49-L52 WeakPolarHBondContact O-CA 3.31Å; N49-L52 PolarHBondContact O-N 3.39Å; S50-L52 VanDerWaalsContact C-N 3.26Å; S50-L52 PolarHBondContact O-N 3.17Å; L52-K56 WeakPolarHBondContact O-CG 3.41Å; L52-L155 HydrophobicContact CB-CD2 4.21Å; L52-L155 HydrophobicContact CD1-CD2 4.48Å; L52-P268 HydrophobicContact CD1-CG 4.17Å
53	I	98.2	Very high	97.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-95.6	-29.1	-178.7	-64.9	172.1	0	0	0	111.9	I46 N49 S50 G55 K56 V58 A75 A77 V123 L155 L157	I46-I53 HydrophobicContact CG2-CD1 3.88Å; I46-I53 WeakPolarHBondContact O-CD1 3.42Å; N49-I53 HydrophobicContact CB-CD1 4.01Å; N49-I53 HydrophobicContact CB-CG1 4.36Å; N49-I53 WeakPolarHBondContact O-CG1 3.42Å; N49-I53 PolarHBondContact O-N 3.22Å; S50-I53 PolarHBondContact O-N 2.97Å; S50-I53 VanDerWaalsContact O-N 3.17Å; I53-G55 PolarHBondContact O-N 3Å; I53-K56 VanDerWaalsContact O-CB 3.24Å; I53-K56 WeakPolarHBondContact O-CB 3.43Å; I53-K56 PolarHBondContact O-N 3.5Å; I53-V58 HydrophobicContact CG2-CG2 4.14Å; I53-A75 HydrophobicContact CB-CB 4.32Å; I53-A75 HydrophobicContact CD1-CB 4.25Å; I53-A75 HydrophobicContact CG2-CB 4Å; I53-A77 HydrophobicContact CG2-CB 3.9Å; I53-V123 HydrophobicContact CG1-CG2 4.31Å; I53-L155 HydrophobicContact CG1-CD2 4.42Å; I53-L157 HydrophobicContact CD1-CD1 4.26Å
54	R	98.5	Very high	97.5	Very high	134 Å²	134	35.8 Å²	35.8	51%	0.506	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	124.2	-174.3	-169.3	-174.8	-52.4	-73.5	-1.4	111	S50 E51 K56 G76	S50-R54 WeakPolarHBondContact O-CB 3.39Å; S50-R54 PolarHBondContact O-N 3.25Å; E51-R54 IonicContact OE1-CZ 3.69Å; E51-R54 IonicContact OE1-NE 3.95Å; E51-R54 PolarHBondContact OE1-NE 2.93Å; E51-R54 IonicContact OE1-NH2 3.3Å; E51-R54 PolarHBondContact OE1-NH2 3.42Å; R54-K56 PolarHBondContact O-N 3.41Å; R54-G76 CarbonylContact C-O 3.54Å; R54-G76 VanDerWaalsContact CA-O 3.31Å; R54-G76 WeakPolarHBondContact CA-O 3.44Å
55	G	98.6	Very high	97.6	Very high	46 Å²	46	34.8 Å²	34.8	47%	0.474	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	9.5	-179.2	0	0	0	0	0	114.8	I53 G76 K78	I53-G55 PolarHBondContact O-N 3Å; G55-G76 PolarHBondContact N-O 2.62Å; G55-K78 WeakPolarHBondContact O-CB 3.47Å
56	K	98.8	Very high	97.6	Very high	83 Å²	83	34.8 Å²	34.8	36%	0.361	19%	0.187	S	C	.	.			trans	-98.6	162.7	178.9	-57.8	-50.2	-172	172.5	0	113	L52 I53 R54 K78 K79 E122 V123	L52-K56 WeakPolarHBondContact O-CG 3.41Å; I53-K56 VanDerWaalsContact O-CB 3.24Å; I53-K56 WeakPolarHBondContact O-CB 3.43Å; I53-K56 PolarHBondContact O-N 3.5Å; R54-K56 PolarHBondContact O-N 3.41Å; K56-K78 WeakPolarHBondContact O-CB 3.41Å; K56-K78 PolarHBondContact O-N 3.15Å; K56-K79 PolarHBondContact O-N 2.8Å; K56-E122 HydrophobicContact CB-CB 4.09Å; K56-E122 HydrophobicContact CD-CB 4.28Å; K56-E122 HydrophobicContact CD-CG 4.01Å; K56-E122 HydrophobicContact CG-CB 4.27Å; K56-V123 HydrophobicContact CB-CG2 4.41Å
57	V	98.9	Very high	97.7	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.012	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	129.1	172.7	-174.3	0	0	0	0	108.8	K79 Y81 E119 V121 E122 V123	V57-K79 WeakPolarHBondContact CA-O 3.4Å; V57-K79 HydrophobicContact CG1-CB 4.28Å; V57-K79 HydrophobicContact CG2-CB 4.39Å; V57-Y81 HydrophobicContact CG1-CD2 3.9Å; V57-Y81 HydrophobicContact CG1-CE2 3.45Å; V57-Y81 VanDerWaalsContact CG1-CE2 3.45Å; V57-E119 HydrophobicContact CG1-CG 4.34Å; V57-V121 HydrophobicContact CG1-CB 4.4Å; V57-V121 HydrophobicContact CG1-CG1 3.82Å; V57-E122 WeakPolarHBondContact CB-OE2 3.49Å; V57-E122 PolarHBondContact N-OE2 3.3Å; V57-E122 PolarHBondContact O-N 3Å; V57-V123 PolarHBondContact O-N 3.12Å
58	V	98.9	Very high	97.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	142.9	-176.2	-173.6	0	0	0	0	110	I53 C72 A77 K79 V80 Y81 V123 V125	I53-V58 HydrophobicContact CG2-CG2 4.14Å; V58-C72 HydrophobicContact CG1-CB 4.23Å; V58-C72 HydrophobicContact CG2-CB 4.3Å; V58-A77 HydrophobicContact CG2-CB 3.75Å; V58-K79 PolarHBondContact N-O 3.4Å; V58-V80 HydrophobicContact CB-CB 4.48Å; V58-V80 HydrophobicContact CB-CG1 4.23Å; V58-V80 HydrophobicContact CB-CG2 4.16Å; V58-V80 HydrophobicContact CG1-CG1 4.41Å; V58-V80 HydrophobicContact CG2-CG2 4.45Å; V58-V80 CarbonylContact O-C 3.43Å; V58-V80 WeakPolarHBondContact O-CA 3.29Å; V58-Y81 PolarHBondContact O-N 3.45Å; V58-V123 CarbonylContact C-O 3.52Å; V58-V123 WeakPolarHBondContact CA-O 3.46Å; V58-V123 HydrophobicContact CB-CB 4.38Å; V58-V123 HydrophobicContact CG1-CB 4.13Å; V58-V123 HydrophobicContact CG1-CG1 4.19Å; V58-V123 HydrophobicContact CG2-CB 4.04Å; V58-V123 HydrophobicContact CG2-CG2 4.39Å; V58-V125 HydrophobicContact CG1-CG1 4.03Å
59	L	98.9	Very high	97.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	124.7	166.1	174.3	59.5	0	0	0	109.2	V61 Y81 V83 V112 L117 V121 V123 I124 V125 A145 W149	L59-V61 HydrophobicContact CD2-CG2 4.01Å; L59-V61 HydrophobicContact CG-CG2 3.82Å; L59-Y81 WeakPolarHBondContact CD1-O 3.3Å; L59-V83 HydrophobicContact CD1-CB 4.36Å; L59-V83 HydrophobicContact CD1-CG2 3.6Å; L59-V112 HydrophobicContact CD2-CG2 4.3Å; L59-L117 HydrophobicContact CD1-CD1 3.98Å; L59-L117 HydrophobicContact CD2-CD1 4.07Å; L59-V121 HydrophobicContact CB-CB 4.28Å; L59-V121 HydrophobicContact CB-CG1 3.92Å; L59-V121 HydrophobicContact CB-CG2 3.81Å; L59-V123 PolarHBondContact N-O 2.86Å; L59-I124 HydrophobicContact CB-CG1 4.11Å; L59-I124 HydrophobicContact CD2-CD1 4.47Å; L59-I124 HydrophobicContact CD2-CG1 4.23Å; L59-I124 HydrophobicContact CG-CG1 4.48Å; L59-I124 CarbonylContact O-C 3.58Å; L59-I124 WeakPolarHBondContact O-CA 3.22Å; L59-V125 PolarHBondContact O-N 3.34Å; L59-A145 HydrophobicContact CD2-CB 3.92Å; L59-W149 HydrophobicContact CD2-CB 4.02Å; L59-W149 HydrophobicContact CD2-CG 4.27Å
60	D	98.9	Very high	98.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	113.8	170.3	-172.7	3.4	0	0	0	108.6	A63 S69 Y81 V83 V125	D60-A63 HydrophobicContact CB-CB 4.26Å; D60-S69 WeakPolarHBondContact CB-OG 3.32Å; D60-S69 VanDerWaalsContact CG-OG 3.3Å; D60-S69 PolarHBondContact OD2-N 2.88Å; D60-S69 PolarHBondContact OD2-OG 3.35Å; D60-Y81 PolarHBondContact N-O 2.84Å; D60-V83 PolarHBondContact O-N 2.94Å; D60-V125 WeakPolarHBondContact CA-O 3.33Å; D60-V125 HydrophobicContact CB-CG1 3.79Å
61	V	98.7	Very high	98.2	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.024	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	112.6	-174	-176	0	0	0	0	109.5	L59 V112 I124 V125 S126 M138 V142 A145	L59-V61 HydrophobicContact CD2-CG2 4.01Å; L59-V61 HydrophobicContact CG-CG2 3.82Å; V61-V112 HydrophobicContact CG1-CB 4.08Å; V61-V112 HydrophobicContact CG1-CG1 3.91Å; V61-V112 HydrophobicContact CG1-CG2 4.25Å; V61-V112 HydrophobicContact CG2-CG2 4.25Å; V61-I124 HydrophobicContact CG2-CG2 4.17Å; V61-V125 PolarHBondContact N-O 2.83Å; V61-V125 VanDerWaalsContact N-O 3.09Å; V61-S126 PolarHBondContact O-OG 2.77Å; V61-M138 WeakPolarHBondContact O-CE 3.14Å; V61-V142 HydrophobicContact CB-CG2 4.44Å; V61-V142 HydrophobicContact CG1-CG2 4.27Å; V61-A145 HydrophobicContact CG2-CB 3.69Å
62	G	97.4	Very high	98.4	Very high	29 Å²	29	23.5 Å²	23.5	30%	0.299	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	57.2	-171.4	0	0	0	0	0	110.7	G64 V83 E84	G62-G64 PolarHBondContact O-N 2.88Å; G62-G64 VanDerWaalsContact O-N 3.11Å; G62-V83 WeakPolarHBondContact CA-O 3.24Å; G62-V83 PolarHBondContact N-O 3Å; G62-E84 VanDerWaalsContact C-OE2 3.29Å
63	A	97.9	Very high	98.5	Very high	7 Å²	7	20 Å²	20	6%	0.058	12%	0.117	C	C	.	.			trans	-64.6	-17.1	-169.7	0	0	0	0	0	113.9	D60 T65 G66 A82 V83 E84	D60-A63 HydrophobicContact CB-CB 4.26Å; A63-T65 PolarHBondContact O-N 2.9Å; A63-G66 WeakPolarHBondContact O-CA 3.24Å; A63-G66 PolarHBondContact O-N 3.43Å; A63-A82 HydrophobicContact CB-CB 3.72Å; A63-V83 PolarHBondContact N-O 2.6Å; A63-E84 HydrophobicContact CB-CB 4.44Å; A63-E84 PolarHBondContact N-OE2 3.02Å
64	G	97.1	Very high	98.5	Very high	8 Å²	8	25 Å²	25	8%	0.082	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	-120.6	-177.8	0	0	0	0	0	111.1	G62 G66 E84 A92	G62-G64 PolarHBondContact O-N 2.88Å; G62-G64 VanDerWaalsContact O-N 3.11Å; G64-G66 PolarHBondContact O-N 3.18Å; G64-E84 WeakPolarHBondContact CA-OE2 3.09Å; G64-E84 PolarHBondContact N-OE2 2.83Å; G64-A92 WeakPolarHBondContact O-CB 3.47Å
65	T	97.6	Very high	98.5	Very high	19 Å²	19	18.8 Å²	18.8	12%	0.117	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-2.8	175.6	57.4	0	0	0	0	114.5	H29 I33 A63 I88 A92 I95	H29-T65 HydrophobicContact CB-CG2 3.96Å; I33-T65 HydrophobicContact CD1-CG2 4.41Å; A63-T65 PolarHBondContact O-N 2.9Å; T65-I88 HydrophobicContact CG2-CD1 4.3Å; T65-I88 HydrophobicContact CG2-CG1 3.97Å; T65-A92 WeakPolarHBondContact O-CA 3.3Å; T65-I95 WeakPolarHBondContact O-CD1 3.46Å
66	G	98.3	Very high	98.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	82.7	8.1	179.7	0	0	0	0	0	114.8	A63 G64 L68 S69 I70	A63-G66 WeakPolarHBondContact O-CA 3.24Å; A63-G66 PolarHBondContact O-N 3.43Å; G64-G66 PolarHBondContact O-N 3.18Å; G66-L68 VanDerWaalsContact C-N 3.33Å; G66-L68 PolarHBondContact O-N 3.11Å; G66-S69 WeakPolarHBondContact O-CB 3.36Å; G66-S69 PolarHBondContact O-N 2.8Å; G66-I70 WeakPolarHBondContact O-CG1 3.12Å; G66-I70 PolarHBondContact O-N 3.35Å
67	V	98.7	Very high	98.5	Very high	32 Å²	32	14.2 Å²	14.2	19%	0.194	9%	0.093	C	C	.	.	H	α-helix	trans	-58.7	-40.7	-176	66	0	0	0	0	113.1	I70 F71	V67-I70 PolarHBondContact O-N 3.03Å; V67-F71 HydrophobicContact CG2-CE1 4.14Å; V67-F71 HydrophobicContact CG2-CE2 3.88Å; V67-F71 HydrophobicContact CG2-CZ 3.6Å; V67-F71 WeakPolarHBondContact O-CG 3.35Å; V67-F71 PolarHBondContact O-N 3.1Å; V67-F71 VanDerWaalsContact O-N 3.09Å
68	L	98.8	Very high	98.5	Very high	10 Å²	10	20.4 Å²	20.4	5%	0.052	12%	0.12	C	C	.	.	H	α-helix	trans	-70.3	-41.9	178.4	-57.1	-172.7	0	0	0	111.4	Y42 G66 I70 F71 C72 V125 E127	Y42-L68 HydrophobicContact CD1-CD1 3.84Å; Y42-L68 HydrophobicContact CD1-CD2 3.94Å; Y42-L68 HydrophobicContact CE1-CD1 4.02Å; Y42-L68 HydrophobicContact CG-CD1 4.43Å; Y42-L68 HydrophobicContact CG-CD2 3.92Å; G66-L68 VanDerWaalsContact C-N 3.33Å; G66-L68 PolarHBondContact O-N 3.11Å; L68-I70 VanDerWaalsContact C-N 3.27Å; L68-I70 PolarHBondContact O-N 2.74Å; L68-F71 HydrophobicContact CD2-CD2 3.94Å; L68-F71 HydrophobicContact CD2-CE2 4.13Å; L68-F71 WeakPolarHBondContact O-CB 3.36Å; L68-F71 PolarHBondContact O-N 3.14Å; L68-F71 VanDerWaalsContact O-N 3.08Å; L68-C72 PolarHBondContact O-N 3.38Å; L68-V125 HydrophobicContact CD1-CG2 4.37Å; L68-E127 HydrophobicContact CD1-CB 3.93Å
69	S	98.9	Very high	98.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-54.8	-41.4	171.8	-70.2	0	0	0	0	112.9	D60 G66 C72 A73 A82	D60-S69 WeakPolarHBondContact CB-OG 3.32Å; D60-S69 VanDerWaalsContact CG-OG 3.3Å; D60-S69 PolarHBondContact OD2-N 2.88Å; D60-S69 PolarHBondContact OD2-OG 3.35Å; G66-S69 WeakPolarHBondContact O-CB 3.36Å; G66-S69 PolarHBondContact O-N 2.8Å; S69-C72 WeakPolarHBondContact O-CB 3.47Å; S69-C72 PolarHBondContact O-N 3.26Å; S69-A73 PolarHBondContact O-N 3.1Å; S69-A82 WeakPolarHBondContact OG-CB 3.19Å
70	I	98.9	Very high	98.5	Very high	10 Å²	10	22.4 Å²	22.4	5%	0.051	13%	0.128	C	C	.	.	H	α-helix	trans	-68.1	-38.8	176.2	-65.5	171.2	0	0	0	111.1	G66 V67 L68 C72 A73 Q74 I95 V96 N99 V101	G66-I70 WeakPolarHBondContact O-CG1 3.12Å; G66-I70 PolarHBondContact O-N 3.35Å; V67-I70 PolarHBondContact O-N 3.03Å; L68-I70 VanDerWaalsContact C-N 3.27Å; L68-I70 PolarHBondContact O-N 2.74Å; I70-C72 VanDerWaalsContact C-N 3.27Å; I70-C72 PolarHBondContact O-N 2.77Å; I70-A73 WeakPolarHBondContact O-CB 3.39Å; I70-A73 PolarHBondContact O-N 3.38Å; I70-Q74 HydrophobicContact CG2-CG 4.48Å; I70-Q74 WeakPolarHBondContact O-CG 3.37Å; I70-Q74 PolarHBondContact O-N 3.32Å; I70-I95 HydrophobicContact CD1-CG2 3.61Å; I70-V96 HydrophobicContact CD1-CG2 4.45Å; I70-V96 HydrophobicContact CG1-CG2 4.37Å; I70-N99 HydrophobicContact CD1-CB 4.44Å; I70-V101 HydrophobicContact CG1-CG2 4.11Å
71	F	98.9	Very high	98.5	Very high	20 Å²	20	22.8 Å²	22.8	9%	0.088	13%	0.13	C	C	.	.	H	α-helix	trans	-60.2	-38.4	172.2	-62.5	-27.1	0	0	0	112	T39 R43 I46 V67 L68 Q74 A75	T39-F71 HydrophobicContact CG2-CE2 4.22Å; T39-F71 HydrophobicContact CG2-CZ 4.2Å; R43-F71 HydrophobicContact CB-CD1 4.46Å; R43-F71 HydrophobicContact CB-CD2 3.83Å; R43-F71 HydrophobicContact CB-CE1 4.28Å; R43-F71 HydrophobicContact CB-CE2 3.62Å; R43-F71 HydrophobicContact CB-CG 4.26Å; R43-F71 HydrophobicContact CB-CZ 3.86Å; R43-F71 HydrophobicContact CG-CD1 3.99Å; R43-F71 HydrophobicContact CG-CD2 4.23Å; R43-F71 HydrophobicContact CG-CE1 3.93Å; R43-F71 HydrophobicContact CG-CE2 4.17Å; R43-F71 HydrophobicContact CG-CG 4.15Å; R43-F71 HydrophobicContact CG-CZ 4.02Å; I46-F71 HydrophobicContact CB-CB 4.4Å; I46-F71 HydrophobicContact CD1-CB 3.74Å; I46-F71 HydrophobicContact CD1-CD2 4.22Å; I46-F71 HydrophobicContact CG2-CB 4.05Å; I46-F71 WeakPolarHBondContact CG2-O 3.38Å; V67-F71 HydrophobicContact CG2-CE1 4.14Å; V67-F71 HydrophobicContact CG2-CE2 3.88Å; V67-F71 HydrophobicContact CG2-CZ 3.6Å; V67-F71 WeakPolarHBondContact O-CG 3.35Å; V67-F71 PolarHBondContact O-N 3.1Å; V67-F71 VanDerWaalsContact O-N 3.09Å; L68-F71 HydrophobicContact CD2-CD2 3.94Å; L68-F71 HydrophobicContact CD2-CE2 4.13Å; L68-F71 WeakPolarHBondContact O-CB 3.36Å; L68-F71 PolarHBondContact O-N 3.14Å; L68-F71 VanDerWaalsContact O-N 3.08Å; F71-Q74 WeakPolarHBondContact O-CB 3.29Å; F71-Q74 PolarHBondContact O-N 3.06Å; F71-A75 WeakPolarHBondContact O-CB 3.45Å; F71-A75 PolarHBondContact O-N 2.91Å
72	C	98.9	Very high	98.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.9	-39.9	174.6	-69.1	0	0	0	0	112.3	V58 L68 S69 I70 A75 G76 A77 V80	V58-C72 HydrophobicContact CG1-CB 4.23Å; V58-C72 HydrophobicContact CG2-CB 4.3Å; L68-C72 PolarHBondContact O-N 3.38Å; S69-C72 WeakPolarHBondContact O-CB 3.47Å; S69-C72 PolarHBondContact O-N 3.26Å; I70-C72 VanDerWaalsContact C-N 3.27Å; I70-C72 PolarHBondContact O-N 2.77Å; C72-A75 PolarHBondContact O-N 2.76Å; C72-G76 PolarHBondContact O-N 3.47Å; C72-A77 HydrophobicContact CB-CB 4.46Å; C72-A77 VanDerWaalsContact O-CB 3.22Å; C72-A77 WeakPolarHBondContact O-CB 3.49Å; C72-A77 PolarHBondContact O-N 3.12Å; C72-A77 VanDerWaalsContact O-N 3.1Å; C72-V80 HydrophobicContact CB-CG2 3.92Å
73	A	98.8	Very high	98.6	Very high	16 Å²	16	21.3 Å²	21.3	13%	0.132	12%	0.115	C	C	.	.	H	α-helix	trans	-61.8	-43.5	172.1	0	0	0	0	0	111.7	S69 I70 A75 G76 V101 V104 V105	S69-A73 PolarHBondContact O-N 3.1Å; I70-A73 WeakPolarHBondContact O-CB 3.39Å; I70-A73 PolarHBondContact O-N 3.38Å; A73-A75 VanDerWaalsContact C-N 3.27Å; A73-A75 PolarHBondContact O-N 3.45Å; A73-G76 WeakPolarHBondContact O-CA 3.1Å; A73-G76 PolarHBondContact O-N 2.86Å; A73-V101 HydrophobicContact CB-CB 4.31Å; A73-V101 HydrophobicContact CB-CG1 4.28Å; A73-V104 HydrophobicContact CB-CB 4.44Å; A73-V104 HydrophobicContact CB-CG1 3.9Å; A73-V105 HydrophobicContact CB-CG2 3.82Å
74	Q	98.6	Very high	98.5	Very high	105 Å²	105	21.7 Å²	21.7	49%	0.491	12%	0.116	S	C	.	.	H	α-helix	trans	-61.6	-33.1	174.6	-69.6	172.6	0.1	0	0	112.8	L47 I70 F71 G76	L47-Q74 HydrophobicContact CD2-CB 4.48Å; I70-Q74 HydrophobicContact CG2-CG 4.48Å; I70-Q74 WeakPolarHBondContact O-CG 3.37Å; I70-Q74 PolarHBondContact O-N 3.32Å; F71-Q74 WeakPolarHBondContact O-CB 3.29Å; F71-Q74 PolarHBondContact O-N 3.06Å; Q74-G76 PolarHBondContact O-N 3.32Å
75	A	98.4	Very high	98.3	Very high	3 Å²	3	22.6 Å²	22.6	3%	0.025	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-3.7	173.4	0	0	0	0	0	113.6	I46 L47 I53 F71 C72 A73	I46-A75 HydrophobicContact CG2-CB 3.82Å; L47-A75 HydrophobicContact CD2-CB 4.32Å; I53-A75 HydrophobicContact CB-CB 4.32Å; I53-A75 HydrophobicContact CD1-CB 4.25Å; I53-A75 HydrophobicContact CG2-CB 4Å; F71-A75 WeakPolarHBondContact O-CB 3.45Å; F71-A75 PolarHBondContact O-N 2.91Å; C72-A75 PolarHBondContact O-N 2.76Å; A73-A75 VanDerWaalsContact C-N 3.27Å; A73-A75 PolarHBondContact O-N 3.45Å
76	G	98.6	Very high	98	Very high	26 Å²	26	22 Å²	22	27%	0.268	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.9	22.1	175.2	0	0	0	0	0	114.6	R54 G55 C72 A73 Q74	R54-G76 CarbonylContact C-O 3.54Å; R54-G76 VanDerWaalsContact CA-O 3.31Å; R54-G76 WeakPolarHBondContact CA-O 3.44Å; G55-G76 PolarHBondContact N-O 2.62Å; C72-G76 PolarHBondContact O-N 3.47Å; A73-G76 WeakPolarHBondContact O-CA 3.1Å; A73-G76 PolarHBondContact O-N 2.86Å; Q74-G76 PolarHBondContact O-N 3.32Å
77	A	98.8	Very high	97.7	Very high	7 Å²	7	23.9 Å²	23.9	6%	0.058	13%	0.132	C	C	.	.			trans	-52.1	140.5	171.9	0	0	0	0	0	111	I53 V58 C72 V80 V104	I53-A77 HydrophobicContact CG2-CB 3.9Å; V58-A77 HydrophobicContact CG2-CB 3.75Å; C72-A77 HydrophobicContact CB-CB 4.46Å; C72-A77 VanDerWaalsContact O-CB 3.22Å; C72-A77 WeakPolarHBondContact O-CB 3.49Å; C72-A77 PolarHBondContact O-N 3.12Å; C72-A77 VanDerWaalsContact O-N 3.1Å; A77-V80 HydrophobicContact CB-CG2 3.73Å; A77-V104 WeakPolarHBondContact O-CG1 3.24Å
78	K	98.6	Very high	97.5	Very high	132 Å²	132	23 Å²	23	57%	0.574	13%	0.126	S	C	*	.	S	Bend	trans	-70.4	-39.7	174.1	175.4	-171.5	172	-158.2	0	110.9	G55 K56	G55-K78 WeakPolarHBondContact O-CB 3.47Å; K56-K78 WeakPolarHBondContact O-CB 3.41Å; K56-K78 PolarHBondContact O-N 3.15Å
79	K	98.9	Very high	97.3	Very high	42 Å²	42	22.6 Å²	22.6	18%	0.183	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	141.7	-177.7	-173.5	74.2	-178	-179.5	0	108.6	K56 V57 V58 Y81 V104 E106	K56-K79 PolarHBondContact O-N 2.8Å; V57-K79 WeakPolarHBondContact CA-O 3.4Å; V57-K79 HydrophobicContact CG1-CB 4.28Å; V57-K79 HydrophobicContact CG2-CB 4.39Å; V58-K79 PolarHBondContact N-O 3.4Å; K79-Y81 HydrophobicContact CD-CE1 4.47Å; K79-Y81 HydrophobicContact CG-CE1 3.97Å; K79-Y81 HydrophobicContact CG-CE2 4.29Å; K79-V104 CarbonylContact C-O 3.5Å; K79-V104 WeakPolarHBondContact CA-O 3.17Å; K79-V104 WeakPolarHBondContact CD-O 3.32Å; K79-E106 WeakPolarHBondContact CE-OE2 3.24Å; K79-E106 IonicContact NZ-OE2 2.74Å; K79-E106 PolarHBondContact NZ-OE2 3.22Å
80	V	98.9	Very high	97.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	123.1	173.3	-173.6	0	0	0	0	108.4	V58 C72 A77 V104 V105 E106	V58-V80 HydrophobicContact CB-CB 4.48Å; V58-V80 HydrophobicContact CB-CG1 4.23Å; V58-V80 HydrophobicContact CB-CG2 4.16Å; V58-V80 HydrophobicContact CG1-CG1 4.41Å; V58-V80 HydrophobicContact CG2-CG2 4.45Å; V58-V80 CarbonylContact O-C 3.43Å; V58-V80 WeakPolarHBondContact O-CA 3.29Å; C72-V80 HydrophobicContact CB-CG2 3.92Å; A77-V80 HydrophobicContact CB-CG2 3.73Å; V80-V104 HydrophobicContact CG2-CG1 4.36Å; V80-V104 PolarHBondContact N-O 2.86Å; V80-V105 HydrophobicContact CB-CB 4.47Å; V80-V105 HydrophobicContact CB-CG1 4.35Å; V80-V105 HydrophobicContact CB-CG2 4.13Å; V80-V105 HydrophobicContact CG2-CG2 4.26Å; V80-E106 PolarHBondContact O-N 2.64Å
81	Y	98.9	Very high	97.1	Very high	9 Å²	9	31.5 Å²	31.5	4%	0.035	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	107.7	168.6	-60.1	-61.6	0	0	0	108.2	V57 V58 L59 D60 K79 E106 I108 L117 P118 E119 V121	V57-Y81 HydrophobicContact CG1-CD2 3.9Å; V57-Y81 HydrophobicContact CG1-CE2 3.45Å; V57-Y81 VanDerWaalsContact CG1-CE2 3.45Å; V58-Y81 PolarHBondContact O-N 3.45Å; L59-Y81 WeakPolarHBondContact CD1-O 3.3Å; D60-Y81 PolarHBondContact N-O 2.84Å; K79-Y81 HydrophobicContact CD-CE1 4.47Å; K79-Y81 HydrophobicContact CG-CE1 3.97Å; K79-Y81 HydrophobicContact CG-CE2 4.29Å; Y81-E106 HydrophobicContact CD1-CB 4.35Å; Y81-I108 HydrophobicContact CD1-CD1 3.89Å; Y81-I108 HydrophobicContact CG-CD1 4.39Å; Y81-L117 HydrophobicContact CD1-CD2 4.47Å; Y81-L117 HydrophobicContact CD2-CD1 4.24Å; Y81-L117 HydrophobicContact CD2-CD2 4.31Å; Y81-L117 HydrophobicContact CG-CD2 4.02Å; Y81-P118 HydrophobicContact CE1-CG 4.03Å; Y81-P118 HydrophobicContact CE2-CG 4.4Å; Y81-P118 WeakPolarHBondContact OH-CG 3.18Å; Y81-E119 HydrophobicContact CE2-CG 4.28Å; Y81-V121 HydrophobicContact CD2-CG1 4.14Å
82	A	98.8	Very high	97.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	95.6	-179.6	0	0	0	0	0	109.2	A63 S69 V105 E106 V107 I108	A63-A82 HydrophobicContact CB-CB 3.72Å; S69-A82 WeakPolarHBondContact OG-CB 3.19Å; A82-V105 HydrophobicContact CB-CG1 4.1Å; A82-E106 PolarHBondContact N-O 3.4Å; A82-V107 HydrophobicContact CB-CG2 4.2Å; A82-V107 CarbonylContact O-C 3.51Å; A82-V107 WeakPolarHBondContact O-CA 3.27Å; A82-I108 PolarHBondContact O-N 3.13Å
83	V	98.7	Very high	97.1	Very high	2 Å²	2	33 Å²	33	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	120	-175.2	179.6	0	0	0	0	109.6	L59 D60 G62 A63 I108 G110 V112 V115 L117	L59-V83 HydrophobicContact CD1-CB 4.36Å; L59-V83 HydrophobicContact CD1-CG2 3.6Å; D60-V83 PolarHBondContact O-N 2.94Å; G62-V83 WeakPolarHBondContact CA-O 3.24Å; G62-V83 PolarHBondContact N-O 3Å; A63-V83 PolarHBondContact N-O 2.6Å; V83-I108 WeakPolarHBondContact CA-O 3.5Å; V83-I108 HydrophobicContact CG2-CB 4.46Å; V83-G110 WeakPolarHBondContact CG1-O 3.25Å; V83-V112 HydrophobicContact CG1-CB 4.26Å; V83-V115 HydrophobicContact CG1-CG1 4.31Å; V83-V115 HydrophobicContact CG2-CG1 4.19Å; V83-V115 HydrophobicContact CG2-CG2 4.45Å; V83-L117 HydrophobicContact CG2-CD2 4.46Å
84	E	97.3	Very high	97.1	Very high	15 Å²	15	36.6 Å²	36.6	7%	0.07	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	129	179.8	177.3	50.1	-113.7	0	0	110.3	G62 A63 G64 C86 I88 A89 I108 R109 G110	G62-E84 VanDerWaalsContact C-OE2 3.29Å; A63-E84 HydrophobicContact CB-CB 4.44Å; A63-E84 PolarHBondContact N-OE2 3.02Å; G64-E84 WeakPolarHBondContact CA-OE2 3.09Å; G64-E84 PolarHBondContact N-OE2 2.83Å; E84-C86 HydrophobicContact CG-CB 4.5Å; E84-C86 VanDerWaalsContact OE1-CB 3.24Å; E84-C86 WeakPolarHBondContact OE1-CB 3.34Å; E84-C86 PolarHBondContact OE1-N 3.5Å; E84-C86 PolarHBondContact OE1-SG 2.81Å; E84-I88 HydrophobicContact CG-CG2 3.71Å; E84-A89 HydrophobicContact CB-CB 3.93Å; E84-A89 HydrophobicContact CG-CB 3.9Å; E84-I108 PolarHBondContact N-O 3.47Å; E84-I108 VanDerWaalsContact N-O 3.14Å; E84-R109 CarbonylContact O-C 3.57Å; E84-R109 VanDerWaalsContact O-CA 3.24Å; E84-R109 WeakPolarHBondContact O-CA 3.38Å; E84-G110 CarbonylContact C-O 3.59Å; E84-G110 PolarHBondContact O-N 3.24Å
85	A	92.9	Very high	97.1	Very high	26 Å²	26	34 Å²	34	22%	0.215	18%	0.18	C	C	.	.			trans	-85.8	-31.5	-177.4	0	0	0	0	0	112.4	F20 G110 T111	F20-A85 HydrophobicContact CD1-CB 3.78Å; F20-A85 HydrophobicContact CD2-CB 4.45Å; F20-A85 HydrophobicContact CE1-CB 3.49Å; F20-A85 VanDerWaalsContact CE1-CB 3.49Å; F20-A85 HydrophobicContact CE2-CB 4.21Å; F20-A85 HydrophobicContact CG-CB 4.27Å; F20-A85 HydrophobicContact CZ-CB 3.73Å; A85-G110 WeakPolarHBondContact CA-O 3.39Å; A85-G110 PolarHBondContact N-O 2.81Å; A85-T111 HydrophobicContact CB-CG2 4.07Å
86	C	90.8	Very high	97.1	Very high	6 Å²	6	34.1 Å²	34.1	4%	0.041	18%	0.18	C	C	.	.	S	Bend	trans	-76.4	166.8	-174.4	-49.8	0	0	0	0	112	F20 E84 I88 A89	F20-C86 VanDerWaalsContact CA-SG 3.57Å; F20-C86 VanDerWaalsContact CD1-SG 3.52Å; F20-C86 PolarHBondContact O-SG 3.12Å; E84-C86 HydrophobicContact CG-CB 4.5Å; E84-C86 VanDerWaalsContact OE1-CB 3.24Å; E84-C86 WeakPolarHBondContact OE1-CB 3.34Å; E84-C86 PolarHBondContact OE1-N 3.5Å; E84-C86 PolarHBondContact OE1-SG 2.81Å; C86-I88 HydrophobicContact CB-CG2 4.07Å; C86-I88 PolarHBondContact O-N 2.99Å; C86-A89 WeakPolarHBondContact O-CB 3.16Å; C86-A89 PolarHBondContact O-N 2.89Å
87	S	91.9	Very high	97.1	Very high	41 Å²	41	37.2 Å²	37.2	29%	0.287	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.4	178.2	61.6	0	0	0	0	113.6	S24 A89 E90 Q91	S24-S87 WeakPolarHBondContact CB-OG 3.45Å; S24-S87 PolarHBondContact OG-OG 2.93Å; S87-A89 PolarHBondContact O-N 2.87Å; S87-E90 WeakPolarHBondContact O-CB 3.45Å; S87-E90 PolarHBondContact O-N 2.88Å; S87-Q91 PolarHBondContact O-OE1 3.49Å
88	I	94.2	Very high	97	Very high	12 Å²	12	43.7 Å²	43.7	6%	0.062	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-18.4	176.2	-159.6	71.7	0	0	0	113.7	T65 E84 C86 E90 Q91 A92	T65-I88 HydrophobicContact CG2-CD1 4.3Å; T65-I88 HydrophobicContact CG2-CG1 3.97Å; E84-I88 HydrophobicContact CG-CG2 3.71Å; C86-I88 HydrophobicContact CB-CG2 4.07Å; C86-I88 PolarHBondContact O-N 2.99Å; I88-E90 PolarHBondContact O-N 2.82Å; I88-E90 VanDerWaalsContact O-N 3.15Å; I88-Q91 HydrophobicContact CD1-CB 4.08Å; I88-Q91 HydrophobicContact CD1-CG 4.16Å; I88-Q91 HydrophobicContact CG1-CB 4.45Å; I88-Q91 WeakPolarHBondContact O-CB 3.32Å; I88-Q91 PolarHBondContact O-N 2.74Å; I88-A92 PolarHBondContact O-N 3.12Å
89	A	95.5	Very high	97	Very high	3 Å²	3	41.1 Å²	41.1	3%	0.025	21%	0.208	C	C	.	.	H	α-helix	trans	-53.5	-31.9	171.1	0	0	0	0	0	112.5	E84 C86 S87 A92 V93 V107 R109	E84-A89 HydrophobicContact CB-CB 3.93Å; E84-A89 HydrophobicContact CG-CB 3.9Å; C86-A89 WeakPolarHBondContact O-CB 3.16Å; C86-A89 PolarHBondContact O-N 2.89Å; S87-A89 PolarHBondContact O-N 2.87Å; A89-A92 WeakPolarHBondContact O-CB 3.43Å; A89-A92 PolarHBondContact O-N 3.09Å; A89-V93 WeakPolarHBondContact O-CG2 3.27Å; A89-V93 PolarHBondContact O-N 2.9Å; A89-V107 HydrophobicContact CB-CG1 4.12Å; A89-R109 HydrophobicContact CB-CB 4.36Å; A89-R109 HydrophobicContact CB-CG 4.31Å
90	E	95.9	Very high	97	Very high	105 Å²	105	45.6 Å²	45.6	49%	0.491	23%	0.233	S	C	.	.	H	α-helix	trans	-64.7	-40.5	176.6	-65.2	172.3	-161.1	0	0	111.1	S87 I88 V93 E94 R109	S87-E90 WeakPolarHBondContact O-CB 3.45Å; S87-E90 PolarHBondContact O-N 2.88Å; I88-E90 PolarHBondContact O-N 2.82Å; I88-E90 VanDerWaalsContact O-N 3.15Å; E90-V93 PolarHBondContact O-N 2.86Å; E90-E94 PolarHBondContact O-N 3.29Å; E90-R109 IonicContact OE1-CZ 3.61Å; E90-R109 IonicContact OE1-NH1 3.89Å; E90-R109 PolarHBondContact OE1-NH1 3.13Å
91	Q	97.5	Very high	97	Very high	92 Å²	92	46.9 Å²	46.9	43%	0.43	24%	0.241	S	C	.	.	H	α-helix	trans	-69.2	-38.8	174.1	-73.9	64.8	31.6	0	0	111.1	S87 I88 V93 E94 I95	S87-Q91 PolarHBondContact O-OE1 3.49Å; I88-Q91 HydrophobicContact CD1-CB 4.08Å; I88-Q91 HydrophobicContact CD1-CG 4.16Å; I88-Q91 HydrophobicContact CG1-CB 4.45Å; I88-Q91 WeakPolarHBondContact O-CB 3.32Å; I88-Q91 PolarHBondContact O-N 2.74Å; Q91-V93 VanDerWaalsContact C-N 3.28Å; Q91-V93 PolarHBondContact O-N 2.88Å; Q91-E94 PolarHBondContact O-N 2.98Å; Q91-E94 VanDerWaalsContact O-N 3.11Å; Q91-I95 VanDerWaalsContact O-CG1 3.28Å; Q91-I95 WeakPolarHBondContact O-CG1 3.34Å; Q91-I95 PolarHBondContact O-N 2.78Å
92	A	98.1	Very high	97	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.8	-40.3	175.4	0	0	0	0	0	112.1	G64 T65 I88 A89 E94 I95 V96 V107	G64-A92 WeakPolarHBondContact O-CB 3.47Å; T65-A92 WeakPolarHBondContact O-CA 3.3Å; I88-A92 PolarHBondContact O-N 3.12Å; A89-A92 WeakPolarHBondContact O-CB 3.43Å; A89-A92 PolarHBondContact O-N 3.09Å; A92-E94 VanDerWaalsContact C-N 3.34Å; A92-E94 PolarHBondContact O-N 2.63Å; A92-I95 PolarHBondContact O-N 2.95Å; A92-V96 WeakPolarHBondContact O-CB 3.28Å; A92-V96 VanDerWaalsContact O-CG2 3.26Å; A92-V96 WeakPolarHBondContact O-CG2 3.49Å; A92-V96 PolarHBondContact O-N 2.57Å; A92-V107 HydrophobicContact CB-CG1 4.16Å; A92-V107 HydrophobicContact CB-CG2 4.07Å
93	V	98.4	Very high	96.9	Very high	50 Å²	50	57.7 Å²	57.7	30%	0.303	30%	0.297	S	S	.	.	H	α-helix	trans	-58.7	-45.5	174	170.6	0	0	0	0	111.3	A89 E90 Q91 K97 V107	A89-V93 WeakPolarHBondContact O-CG2 3.27Å; A89-V93 PolarHBondContact O-N 2.9Å; E90-V93 PolarHBondContact O-N 2.86Å; Q91-V93 VanDerWaalsContact C-N 3.28Å; Q91-V93 PolarHBondContact O-N 2.88Å; V93-K97 HydrophobicContact CG1-CD 4.34Å; V93-K97 WeakPolarHBondContact O-CG 3.34Å; V93-K97 PolarHBondContact O-N 3.37Å; V93-K97 VanDerWaalsContact O-N 3.16Å; V93-V107 HydrophobicContact CG2-CB 3.68Å; V93-V107 HydrophobicContact CG2-CG1 4.02Å; V93-V107 HydrophobicContact CG2-CG2 4.05Å
94	E	98.4	Very high	96.9	Very high	93 Å²	93	59.5 Å²	59.5	44%	0.435	31%	0.308	S	S	.	.	H	α-helix	trans	-67.4	-40.6	178.9	-68.1	-54.5	140.6	0	0	112.3	E90 Q91 A92 K97 Q98	E90-E94 PolarHBondContact O-N 3.29Å; Q91-E94 PolarHBondContact O-N 2.98Å; Q91-E94 VanDerWaalsContact O-N 3.11Å; A92-E94 VanDerWaalsContact C-N 3.34Å; A92-E94 PolarHBondContact O-N 2.63Å; E94-K97 PolarHBondContact O-N 3.28Å; E94-K97 IonicContact OE1-NZ 2.75Å; E94-K97 PolarHBondContact OE1-NZ 2.91Å; E94-Q98 WeakPolarHBondContact O-CB 3.31Å; E94-Q98 VanDerWaalsContact O-CG 3.25Å; E94-Q98 WeakPolarHBondContact O-CG 3.07Å; E94-Q98 PolarHBondContact O-N 3.49Å
95	I	98.6	Very high	97	Very high	51 Å²	51	59 Å²	59	26%	0.262	31%	0.305	S	S	.	.	H	α-helix	trans	-64.6	-43	177.4	-64.9	164.6	0	0	0	110.5	T65 I70 Q91 A92 K97 Q98 N99	T65-I95 WeakPolarHBondContact O-CD1 3.46Å; I70-I95 HydrophobicContact CD1-CG2 3.61Å; Q91-I95 VanDerWaalsContact O-CG1 3.28Å; Q91-I95 WeakPolarHBondContact O-CG1 3.34Å; Q91-I95 PolarHBondContact O-N 2.78Å; A92-I95 PolarHBondContact O-N 2.95Å; I95-K97 PolarHBondContact O-N 2.87Å; I95-Q98 PolarHBondContact O-N 2.81Å; I95-N99 PolarHBondContact O-N 3.15Å; I95-N99 PolarHBondContact O-ND2 3.21Å
96	V	98.7	Very high	97.3	Very high	4 Å²	4	61.6 Å²	61.6	2%	0.024	31%	0.313	C	S	.	.	H	α-helix	trans	-57.8	-47.2	176.4	160.5	0	0	0	0	111.2	I70 A92 N99 N100 V101 E102 V105 V107	I70-V96 HydrophobicContact CD1-CG2 4.45Å; I70-V96 HydrophobicContact CG1-CG2 4.37Å; A92-V96 WeakPolarHBondContact O-CB 3.28Å; A92-V96 VanDerWaalsContact O-CG2 3.26Å; A92-V96 WeakPolarHBondContact O-CG2 3.49Å; A92-V96 PolarHBondContact O-N 2.57Å; V96-N99 PolarHBondContact O-N 3.26Å; V96-N100 PolarHBondContact O-N 2.92Å; V96-V101 HydrophobicContact CG1-CG2 4.21Å; V96-V101 PolarHBondContact O-N 3.19Å; V96-E102 HydrophobicContact CG1-CB 3.93Å; V96-V105 HydrophobicContact CG1-CB 3.96Å; V96-V105 HydrophobicContact CG1-CG1 4.42Å; V96-V105 HydrophobicContact CG2-CB 3.96Å; V96-V105 HydrophobicContact CG2-CG1 3.62Å; V96-V107 HydrophobicContact CG2-CG2 4.1Å
97	K	98.5	Very high	97.7	Very high	92 Å²	92	62.7 Å²	62.7	40%	0.4	32%	0.32	S	S	.	.	H	α-helix	trans	-63.8	-44.1	175.7	-69.4	170.6	-174.4	168.4	0	112.3	V93 E94 I95 N99 N100 E102	V93-K97 HydrophobicContact CG1-CD 4.34Å; V93-K97 WeakPolarHBondContact O-CG 3.34Å; V93-K97 PolarHBondContact O-N 3.37Å; V93-K97 VanDerWaalsContact O-N 3.16Å; E94-K97 PolarHBondContact O-N 3.28Å; E94-K97 IonicContact OE1-NZ 2.75Å; E94-K97 PolarHBondContact OE1-NZ 2.91Å; I95-K97 PolarHBondContact O-N 2.87Å; K97-N99 PolarHBondContact O-N 3.38Å; K97-N100 PolarHBondContact O-N 3.09Å; K97-E102 HydrophobicContact CG-CB 4.35Å
98	Q	98.5	Very high	98	Very high	143 Å²	143	62.3 Å²	62.3	67%	0.668	31%	0.314	S	S	*	.	H	α-helix	trans	-60.9	-27.4	178.8	-76.3	176.4	17.3	0	0	112.9	E94 I95	E94-Q98 WeakPolarHBondContact O-CB 3.31Å; E94-Q98 VanDerWaalsContact O-CG 3.25Å; E94-Q98 WeakPolarHBondContact O-CG 3.07Å; E94-Q98 PolarHBondContact O-N 3.49Å; I95-Q98 PolarHBondContact O-N 2.81Å
99	N	98.6	Very high	98.1	Very high	78 Å²	78	68.8 Å²	68.8	42%	0.417	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	3.3	177.7	-73.6	-90.2	0	0	0	113.3	I70 I95 V96 K97 V101	I70-N99 HydrophobicContact CD1-CB 4.44Å; I95-N99 PolarHBondContact O-N 3.15Å; I95-N99 PolarHBondContact O-ND2 3.21Å; V96-N99 PolarHBondContact O-N 3.26Å; K97-N99 PolarHBondContact O-N 3.38Å; N99-V101 VanDerWaalsContact C-N 3.32Å; N99-V101 HydrophobicContact CB-CG2 4.22Å; N99-V101 PolarHBondContact O-N 2.84Å
100	N	98.3	Very high	98	Very high	135 Å²	135	69.6 Å²	69.6	72%	0.722	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	41.5	179.3	-46.5	-81.1	0	0	0	113.1	V96 K97 E102	V96-N100 PolarHBondContact O-N 2.92Å; K97-N100 PolarHBondContact O-N 3.09Å; N100-E102 VanDerWaalsContact C-OE2 3.22Å; N100-E102 WeakPolarHBondContact CA-OE2 3.48Å
101	V	98.6	Very high	98	Very high	27 Å²	27	66.4 Å²	66.4	16%	0.164	34%	0.335	C	S	.	.			trans	-122.8	15.4	178.9	-64.1	0	0	0	0	113	I70 A73 V96 N99 D103 V104 V105	I70-V101 HydrophobicContact CG1-CG2 4.11Å; A73-V101 HydrophobicContact CB-CB 4.31Å; A73-V101 HydrophobicContact CB-CG1 4.28Å; V96-V101 HydrophobicContact CG1-CG2 4.21Å; V96-V101 PolarHBondContact O-N 3.19Å; N99-V101 VanDerWaalsContact C-N 3.32Å; N99-V101 HydrophobicContact CB-CG2 4.22Å; N99-V101 PolarHBondContact O-N 2.84Å; V101-D103 PolarHBondContact O-N 3.13Å; V101-V104 CarbonylContact O-C 3.59Å; V101-V104 PolarHBondContact O-N 2.96Å; V101-V105 HydrophobicContact CB-CG2 4.32Å; V101-V105 HydrophobicContact CG2-CG2 3.99Å; V101-V105 PolarHBondContact O-N 2.89Å
102	E	98	Very high	98	Very high	88 Å²	88	62.4 Å²	62.4	41%	0.411	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-24	179.6	64.1	-91.4	-141.9	0	0	114.2	V96 K97 N100 V104	V96-E102 HydrophobicContact CG1-CB 3.93Å; K97-E102 HydrophobicContact CG-CB 4.35Å; N100-E102 VanDerWaalsContact C-OE2 3.22Å; N100-E102 WeakPolarHBondContact CA-OE2 3.48Å; E102-V104 PolarHBondContact O-N 3.03Å
103	D	98.1	Very high	97.9	Very high	149 Å²	149	65.4 Å²	65.4	80%	0.797	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-22.6	173.2	-69.9	-33.6	0	0	0	112.1	V101	V101-D103 PolarHBondContact O-N 3.13Å
104	V	98.8	Very high	97.8	Very high	39 Å²	39	67.8 Å²	67.8	24%	0.236	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-44	-177.1	179.8	0	0	0	0	111.3	A73 A77 K79 V80 V101 E102	A73-V104 HydrophobicContact CB-CB 4.44Å; A73-V104 HydrophobicContact CB-CG1 3.9Å; A77-V104 WeakPolarHBondContact O-CG1 3.24Å; K79-V104 CarbonylContact C-O 3.5Å; K79-V104 WeakPolarHBondContact CA-O 3.17Å; K79-V104 WeakPolarHBondContact CD-O 3.32Å; V80-V104 HydrophobicContact CG2-CG1 4.36Å; V80-V104 PolarHBondContact N-O 2.86Å; V101-V104 CarbonylContact O-C 3.59Å; V101-V104 PolarHBondContact O-N 2.96Å; E102-V104 PolarHBondContact O-N 3.03Å
105	V	98.9	Very high	97.6	Very high	4 Å²	4	64 Å²	64	2%	0.024	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	118.5	-175.7	-174.2	0	0	0	0	110	A73 V80 A82 V96 V101	A73-V105 HydrophobicContact CB-CG2 3.82Å; V80-V105 HydrophobicContact CB-CB 4.47Å; V80-V105 HydrophobicContact CB-CG1 4.35Å; V80-V105 HydrophobicContact CB-CG2 4.13Å; V80-V105 HydrophobicContact CG2-CG2 4.26Å; A82-V105 HydrophobicContact CB-CG1 4.1Å; V96-V105 HydrophobicContact CG1-CB 3.96Å; V96-V105 HydrophobicContact CG1-CG1 4.42Å; V96-V105 HydrophobicContact CG2-CB 3.96Å; V96-V105 HydrophobicContact CG2-CG1 3.62Å; V101-V105 HydrophobicContact CB-CG2 4.32Å; V101-V105 HydrophobicContact CG2-CG2 3.99Å; V101-V105 PolarHBondContact O-N 2.89Å
106	E	98.7	Very high	97.6	Very high	82 Å²	82	67.8 Å²	67.8	38%	0.383	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	114.5	174.4	179.6	175.6	164.5	0	0	109.8	K79 V80 Y81 A82 I108	K79-E106 WeakPolarHBondContact CE-OE2 3.24Å; K79-E106 IonicContact NZ-OE2 2.74Å; K79-E106 PolarHBondContact NZ-OE2 3.22Å; V80-E106 PolarHBondContact O-N 2.64Å; Y81-E106 HydrophobicContact CD1-CB 4.35Å; A82-E106 PolarHBondContact N-O 3.4Å; E106-I108 HydrophobicContact CG-CG1 4.12Å
107	V	98.7	Very high	97.5	Very high	29 Å²	29	68.2 Å²	68.2	18%	0.176	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	124.5	176	-175.3	0	0	0	0	109.3	A82 A89 A92 V93 V96	A82-V107 HydrophobicContact CB-CG2 4.2Å; A82-V107 CarbonylContact O-C 3.51Å; A82-V107 WeakPolarHBondContact O-CA 3.27Å; A89-V107 HydrophobicContact CB-CG1 4.12Å; A92-V107 HydrophobicContact CB-CG1 4.16Å; A92-V107 HydrophobicContact CB-CG2 4.07Å; V93-V107 HydrophobicContact CG2-CB 3.68Å; V93-V107 HydrophobicContact CG2-CG1 4.02Å; V93-V107 HydrophobicContact CG2-CG2 4.05Å; V96-V107 HydrophobicContact CG2-CG2 4.1Å
108	I	98.2	Very high	97.4	Very high	33 Å²	33	68.7 Å²	68.7	17%	0.169	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	113.4	-179	-49.4	174.3	0	0	0	108.7	Y81 A82 V83 E84 E106 G110 V115 L117	Y81-I108 HydrophobicContact CD1-CD1 3.89Å; Y81-I108 HydrophobicContact CG-CD1 4.39Å; A82-I108 PolarHBondContact O-N 3.13Å; V83-I108 WeakPolarHBondContact CA-O 3.5Å; V83-I108 HydrophobicContact CG2-CB 4.46Å; E84-I108 PolarHBondContact N-O 3.47Å; E84-I108 VanDerWaalsContact N-O 3.14Å; E106-I108 HydrophobicContact CG-CG1 4.12Å; I108-G110 PolarHBondContact O-N 3.41Å; I108-V115 HydrophobicContact CB-CG2 4.28Å; I108-V115 HydrophobicContact CD1-CG2 4.31Å; I108-V115 HydrophobicContact CG2-CG2 3.49Å; I108-V115 VanDerWaalsContact CG2-CG2 3.49Å; I108-L117 HydrophobicContact CD1-CD2 3.72Å
109	R	96.5	Very high	97.4	Very high	147 Å²	147	65.2 Å²	65.2	56%	0.555	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	117.1	177.9	-170.8	178.6	-178.9	168.6	5	110.8	E84 A89 E90	E84-R109 CarbonylContact O-C 3.57Å; E84-R109 VanDerWaalsContact O-CA 3.24Å; E84-R109 WeakPolarHBondContact O-CA 3.38Å; A89-R109 HydrophobicContact CB-CB 4.36Å; A89-R109 HydrophobicContact CB-CG 4.31Å; E90-R109 IonicContact OE1-CZ 3.61Å; E90-R109 IonicContact OE1-NH1 3.89Å; E90-R109 PolarHBondContact OE1-NH1 3.13Å
110	G	94.9	Very high	97.4	Very high	21 Å²	21	66.3 Å²	66.3	22%	0.216	34%	0.344	C	S	.	.	S	Bend	trans	157.5	175.4	178.4	0	0	0	0	0	112.5	V83 E84 A85 I108	V83-G110 WeakPolarHBondContact CG1-O 3.25Å; E84-G110 CarbonylContact C-O 3.59Å; E84-G110 PolarHBondContact O-N 3.24Å; A85-G110 WeakPolarHBondContact CA-O 3.39Å; A85-G110 PolarHBondContact N-O 2.81Å; I108-G110 PolarHBondContact O-N 3.41Å
111	T	95.3	Very high	97.4	Very high	38 Å²	38	59.9 Å²	59.9	23%	0.233	31%	0.31	C	S	.	.			trans	-85.3	147.3	173.3	85.1	0	0	0	0	110	F20 A85 E113 T114 V115	F20-T111 HydrophobicContact CE2-CG2 4.23Å; F20-T111 HydrophobicContact CZ-CG2 4.06Å; A85-T111 HydrophobicContact CB-CG2 4.07Å; T111-E113 WeakPolarHBondContact CB-OE2 3.44Å; T111-E113 PolarHBondContact O-N 3.28Å; T111-E113 VanDerWaalsContact O-N 3.13Å; T111-E113 PolarHBondContact OG1-OE2 3.36Å; T111-T114 PolarHBondContact O-N 3.27Å; T111-T114 PolarHBondContact O-OG1 3.49Å; T111-T114 PolarHBondContact OG1-OG1 2.91Å; T111-T114 VanDerWaalsContact OG1-OG1 3.09Å; T111-V115 PolarHBondContact O-N 3.42Å
112	V	97	Very high	97.4	Very high	7 Å²	7	60.7 Å²	60.7	4%	0.042	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-20.9	179.9	74.8	0	0	0	0	113.1	L59 V61 V83 T114 V115 S141 Y144 A145	L59-V112 HydrophobicContact CD2-CG2 4.3Å; V61-V112 HydrophobicContact CG1-CB 4.08Å; V61-V112 HydrophobicContact CG1-CG1 3.91Å; V61-V112 HydrophobicContact CG1-CG2 4.25Å; V61-V112 HydrophobicContact CG2-CG2 4.25Å; V83-V112 HydrophobicContact CG1-CB 4.26Å; V112-T114 VanDerWaalsContact C-N 3.33Å; V112-V115 HydrophobicContact CG2-CG1 4.47Å; V112-S141 WeakPolarHBondContact CG1-O 3.36Å; V112-Y144 WeakPolarHBondContact O-CE1 3.35Å; V112-A145 HydrophobicContact CG2-CB 3.65Å
113	E	97.1	Very high	97.5	Very high	64 Å²	64	56.6 Å²	56.6	30%	0.299	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-25.3	175.3	-58.2	81.1	179.1	0	0	113.6	T111 S141 Y144 R148	T111-E113 WeakPolarHBondContact CB-OE2 3.44Å; T111-E113 PolarHBondContact O-N 3.28Å; T111-E113 VanDerWaalsContact O-N 3.13Å; T111-E113 PolarHBondContact OG1-OE2 3.36Å; E113-S141 VanDerWaalsContact OE1-CB 3.26Å; E113-S141 WeakPolarHBondContact OE1-CB 3.32Å; E113-S141 PolarHBondContact OE1-OG 2.59Å; E113-Y144 HydrophobicContact CB-CD1 4.36Å; E113-Y144 HydrophobicContact CB-CE1 4.21Å; E113-Y144 HydrophobicContact CB-CE2 4.45Å; E113-Y144 HydrophobicContact CG-CD1 4.1Å; E113-Y144 HydrophobicContact CG-CD2 4.18Å; E113-Y144 HydrophobicContact CG-CE1 4.44Å; E113-Y144 HydrophobicContact CG-CE2 4.46Å; E113-Y144 HydrophobicContact CG-CG 3.98Å; E113-Y144 PolarHBondContact O-OH 2.75Å; E113-Y144 VanDerWaalsContact O-OH 3.1Å; E113-R148 PolarHBondContact O-NH1 3.42Å
114	T	94.8	Very high	97.5	Very high	99 Å²	99	49.5 Å²	49.5	61%	0.607	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	-20.2	-172.7	57.4	0	0	0	0	113.5	T111 V112	T111-T114 PolarHBondContact O-N 3.27Å; T111-T114 PolarHBondContact O-OG1 3.49Å; T111-T114 PolarHBondContact OG1-OG1 2.91Å; T111-T114 VanDerWaalsContact OG1-OG1 3.09Å; V112-T114 VanDerWaalsContact C-N 3.33Å
115	V	95.6	Very high	97.5	Very high	13 Å²	13	47.7 Å²	47.7	8%	0.079	24%	0.243	C	C	.	.			trans	-63	145.2	177.2	76	0	0	0	0	111.1	V83 I108 T111 V112 L117 W149	V83-V115 HydrophobicContact CG1-CG1 4.31Å; V83-V115 HydrophobicContact CG2-CG1 4.19Å; V83-V115 HydrophobicContact CG2-CG2 4.45Å; I108-V115 HydrophobicContact CB-CG2 4.28Å; I108-V115 HydrophobicContact CD1-CG2 4.31Å; I108-V115 HydrophobicContact CG2-CG2 3.49Å; I108-V115 VanDerWaalsContact CG2-CG2 3.49Å; T111-V115 PolarHBondContact O-N 3.42Å; V112-V115 HydrophobicContact CG2-CG1 4.47Å; V115-L117 HydrophobicContact CG1-CD2 4.25Å; V115-L117 HydrophobicContact CG1-CG 4.48Å; V115-L117 HydrophobicContact CG2-CD2 4.16Å; V115-W149 VanDerWaalsContact O-CZ2 3.28Å; V115-W149 WeakPolarHBondContact O-CZ2 3.4Å
116	E	97.4	Very high	97.5	Very high	132 Å²	132	47.6 Å²	47.6	62%	0.617	24%	0.243	S	C	*	.			trans	-110.8	116.2	170.2	-65.8	-60.4	156.6	0	0	109.2	R148	E116-R148 IonicContact OE1-CZ 3.21Å; E116-R148 IonicContact OE1-NH2 3.3Å; E116-R148 PolarHBondContact OE1-NH2 2.81Å; E116-R148 IonicContact OE2-NH2 3.59Å; E116-R148 PolarHBondContact OE2-NH2 3.27Å
117	L	97.3	Very high	97.5	Very high	13 Å²	13	44.6 Å²	44.6	7%	0.068	23%	0.229	C	C	.	.			trans	-91	144.7	174.1	-54	-177.6	0	0	0	109.9	L59 Y81 V83 I108 V115 E119 V121 W149	L59-L117 HydrophobicContact CD1-CD1 3.98Å; L59-L117 HydrophobicContact CD2-CD1 4.07Å; Y81-L117 HydrophobicContact CD1-CD2 4.47Å; Y81-L117 HydrophobicContact CD2-CD1 4.24Å; Y81-L117 HydrophobicContact CD2-CD2 4.31Å; Y81-L117 HydrophobicContact CG-CD2 4.02Å; V83-L117 HydrophobicContact CG2-CD2 4.46Å; I108-L117 HydrophobicContact CD1-CD2 3.72Å; V115-L117 HydrophobicContact CG1-CD2 4.25Å; V115-L117 HydrophobicContact CG1-CG 4.48Å; V115-L117 HydrophobicContact CG2-CD2 4.16Å; L117-E119 PolarHBondContact O-N 3.31Å; L117-V121 HydrophobicContact CD1-CG1 4.34Å; L117-W149 HydrophobicContact CB-CD2 4.23Å; L117-W149 HydrophobicContact CB-CE3 3.85Å; L117-W149 HydrophobicContact CB-CH2 4.06Å; L117-W149 HydrophobicContact CB-CZ2 4.39Å; L117-W149 HydrophobicContact CB-CZ3 3.76Å; L117-W149 HydrophobicContact CD1-CB 4.26Å; L117-W149 HydrophobicContact CD1-CD2 3.76Å; L117-W149 HydrophobicContact CD1-CE3 4.09Å; L117-W149 HydrophobicContact CD1-CG 3.82Å; L117-W149 HydrophobicContact CG-CD2 4Å; L117-W149 HydrophobicContact CG-CE3 4.16Å; L117-W149 HydrophobicContact CG-CH2 4.42Å; L117-W149 HydrophobicContact CG-CZ2 4.24Å; L117-W149 HydrophobicContact CG-CZ3 4.36Å; L117-W149 VanDerWaalsContact N-CH2 3.27Å
118	P	97	Very high	97.4	Very high	101 Å²	101	43.6 Å²	43.6	66%	0.656	22%	0.222	S	C	*	.	S	Bend	trans	-70.9	-15.8	-179	30.9	-37.5	0	0	0	113	Y81	Y81-P118 HydrophobicContact CE1-CG 4.03Å; Y81-P118 HydrophobicContact CE2-CG 4.4Å; Y81-P118 WeakPolarHBondContact OH-CG 3.18Å
119	E	97.9	Very high	97.4	Very high	71 Å²	71	42.3 Å²	42.3	33%	0.332	22%	0.215	S	C	.	.	S	Bend	trans	-153.5	160.9	178.1	62.2	-174.5	118.6	0	0	112	V57 Y81 L117	V57-E119 HydrophobicContact CG1-CG 4.34Å; Y81-E119 HydrophobicContact CE2-CG 4.28Å; L117-E119 PolarHBondContact O-N 3.31Å
120	K	98.6	Very high	97.3	Very high	100 Å²	100	35.4 Å²	35.4	44%	0.435	19%	0.19	S	C	.	.			trans	-69.1	152.4	167	-73.4	-160.4	170.6	-153.6	0	110.8	R148 W149 K151	K120-R148 VanDerWaalsContact CE-O 3.29Å; K120-R148 WeakPolarHBondContact CE-O 3.33Å; K120-R148 PolarHBondContact NZ-O 3.28Å; K120-W149 CarbonylContact C-O 3.58Å; K120-W149 VanDerWaalsContact CA-O 3.27Å; K120-W149 WeakPolarHBondContact CA-O 3.28Å; K120-W149 WeakPolarHBondContact CB-O 3.48Å; K120-K151 HydrophobicContact CB-CD 4.43Å; K120-K151 HydrophobicContact CB-CG 3.71Å; K120-K151 HydrophobicContact CD-CG 4.49Å; K120-K151 WeakPolarHBondContact O-CE 3.39Å; K120-K151 PolarHBondContact O-NZ 2.86Å
121	V	98.8	Very high	97.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	153.8	-177	-55.7	0	0	0	0	112.2	V57 L59 Y81 L117 I124 W149 L150 K151	V57-V121 HydrophobicContact CG1-CB 4.4Å; V57-V121 HydrophobicContact CG1-CG1 3.82Å; L59-V121 HydrophobicContact CB-CB 4.28Å; L59-V121 HydrophobicContact CB-CG1 3.92Å; L59-V121 HydrophobicContact CB-CG2 3.81Å; Y81-V121 HydrophobicContact CD2-CG1 4.14Å; L117-V121 HydrophobicContact CD1-CG1 4.34Å; V121-I124 HydrophobicContact CG2-CG1 4.03Å; V121-W149 HydrophobicContact CG2-CB 4.43Å; V121-W149 PolarHBondContact N-O 2.73Å; V121-L150 HydrophobicContact CG2-CD1 4.2Å; V121-K151 WeakPolarHBondContact O-CG 2.96Å; V121-K151 PolarHBondContact O-N 3.23Å
122	E	98.8	Very high	97.1	Very high	45 Å²	45	36.1 Å²	36.1	21%	0.21	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-20.9	172.5	-69.7	84	-174.2	0	0	113.2	K56 V57 K151 G154 L155	K56-E122 HydrophobicContact CB-CB 4.09Å; K56-E122 HydrophobicContact CD-CB 4.28Å; K56-E122 HydrophobicContact CD-CG 4.01Å; K56-E122 HydrophobicContact CG-CB 4.27Å; V57-E122 WeakPolarHBondContact CB-OE2 3.49Å; V57-E122 PolarHBondContact N-OE2 3.3Å; V57-E122 PolarHBondContact O-N 3Å; E122-K151 HydrophobicContact CG-CD 4.05Å; E122-K151 IonicContact OE1-NZ 2.86Å; E122-K151 PolarHBondContact OE1-NZ 3.21Å; E122-K151 IonicContact OE2-NZ 2.63Å; E122-G154 CarbonylContact O-C 3.46Å; E122-G154 WeakPolarHBondContact O-CA 3.5Å; E122-L155 PolarHBondContact O-N 3.35Å
123	V	98.8	Very high	97.1	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	133.5	-176.3	-172.3	0	0	0	0	109.6	I53 K56 V57 V58 L59 L155	I53-V123 HydrophobicContact CG1-CG2 4.31Å; K56-V123 HydrophobicContact CB-CG2 4.41Å; V57-V123 PolarHBondContact O-N 3.12Å; V58-V123 CarbonylContact C-O 3.52Å; V58-V123 WeakPolarHBondContact CA-O 3.46Å; V58-V123 HydrophobicContact CB-CB 4.38Å; V58-V123 HydrophobicContact CG1-CB 4.13Å; V58-V123 HydrophobicContact CG1-CG1 4.19Å; V58-V123 HydrophobicContact CG2-CB 4.04Å; V58-V123 HydrophobicContact CG2-CG2 4.39Å; L59-V123 PolarHBondContact N-O 2.86Å; V123-L155 CarbonylContact C-O 3.59Å; V123-L155 VanDerWaalsContact CA-O 3.31Å; V123-L155 WeakPolarHBondContact CA-O 3.11Å; V123-L155 HydrophobicContact CB-CB 4.43Å; V123-L155 HydrophobicContact CG1-CB 4.14Å; V123-L155 HydrophobicContact CG1-CD2 4.04Å; V123-L155 HydrophobicContact CG1-CG 4.2Å; V123-L155 HydrophobicContact CG2-CB 4.14Å; V123-L155 HydrophobicContact CG2-CD2 4.35Å
124	I	98.9	Very high	97	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	130.2	162.9	-74.8	168.2	0	0	0	108.2	L59 V61 V121 V142 A145 R146 L150 L155 I156 L157	L59-I124 HydrophobicContact CB-CG1 4.11Å; L59-I124 HydrophobicContact CD2-CD1 4.47Å; L59-I124 HydrophobicContact CD2-CG1 4.23Å; L59-I124 HydrophobicContact CG-CG1 4.48Å; L59-I124 CarbonylContact O-C 3.58Å; L59-I124 WeakPolarHBondContact O-CA 3.22Å; V61-I124 HydrophobicContact CG2-CG2 4.17Å; V121-I124 HydrophobicContact CG2-CG1 4.03Å; I124-V142 HydrophobicContact CG2-CG1 4.35Å; I124-A145 HydrophobicContact CD1-CB 4.12Å; I124-R146 HydrophobicContact CD1-CB 4.3Å; I124-L150 HydrophobicContact CD1-CB 3.89Å; I124-L150 HydrophobicContact CD1-CD1 4.08Å; I124-L150 HydrophobicContact CD1-CD2 4.45Å; I124-L150 HydrophobicContact CD1-CG 4.36Å; I124-L150 HydrophobicContact CG1-CD1 4.02Å; I124-L155 PolarHBondContact N-O 3.19Å; I124-I156 HydrophobicContact CG2-CG2 4.45Å; I124-I156 CarbonylContact O-C 3.37Å; I124-I156 WeakPolarHBondContact O-CA 3.26Å; I124-L157 PolarHBondContact O-N 2.82Å
125	V	98.9	Very high	96.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	140.6	166.1	64.4	0	0	0	0	108.1	Y42 I46 V58 L59 D60 V61 L68 L157	Y42-V125 HydrophobicContact CD1-CG2 4.33Å; Y42-V125 HydrophobicContact CE1-CG2 4.36Å; I46-V125 HydrophobicContact CD1-CG2 4.11Å; I46-V125 HydrophobicContact CG1-CG2 4.48Å; V58-V125 HydrophobicContact CG1-CG1 4.03Å; L59-V125 PolarHBondContact O-N 3.34Å; D60-V125 WeakPolarHBondContact CA-O 3.33Å; D60-V125 HydrophobicContact CB-CG1 3.79Å; V61-V125 PolarHBondContact N-O 2.83Å; V61-V125 VanDerWaalsContact N-O 3.09Å; L68-V125 HydrophobicContact CD1-CG2 4.37Å; V125-L157 WeakPolarHBondContact CA-O 3.32Å; V125-L157 HydrophobicContact CB-CB 4.43Å; V125-L157 HydrophobicContact CG2-CB 4.21Å
126	S	98.8	Very high	96.4	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.014	15%	0.15	C	C	.	.			trans	-160.1	142.1	172.3	-177.1	0	0	0	0	109.8	Y42 V61 V142 L157 P158	Y42-S126 WeakPolarHBondContact CE1-O 3.44Å; Y42-S126 PolarHBondContact OH-O 3.48Å; V61-S126 PolarHBondContact O-OG 2.77Å; S126-V142 WeakPolarHBondContact OG-CG2 3.48Å; S126-L157 PolarHBondContact N-O 2.92Å; S126-L157 VanDerWaalsContact N-O 3.12Å; S126-P158 WeakPolarHBondContact O-CD 3.4Å
127	E	98.3	Very high	96	Very high	20 Å²	20	25.1 Å²	25.1	9%	0.093	13%	0.127	C	C	.	.			trans	-104.7	105.1	160.6	-162	-73.8	98.1	0	0	106.4	R38 Y42 L68 M129 M138 W287	R38-E127 IonicContact CZ-OE2 3.64Å; R38-E127 VanDerWaalsContact CZ-OE2 3.24Å; R38-E127 IonicContact NE-OE2 3.39Å; R38-E127 PolarHBondContact NE-OE2 3.33Å; R38-E127 IonicContact NH2-OE2 2.71Å; R38-E127 PolarHBondContact NH2-OE2 2.77Å; Y42-E127 HydrophobicContact CD2-CG 4.4Å; Y42-E127 HydrophobicContact CE1-CB 4.12Å; Y42-E127 HydrophobicContact CE2-CB 3.99Å; Y42-E127 HydrophobicContact CE2-CG 3.52Å; Y42-E127 VanDerWaalsContact OH-CA 3.27Å; Y42-E127 WeakPolarHBondContact OH-CA 3.48Å; Y42-E127 WeakPolarHBondContact OH-CG 3.18Å; L68-E127 HydrophobicContact CD1-CB 3.93Å; E127-M129 HydrophobicContact CG-CE 3.97Å; E127-M129 PolarHBondContact OE1-N 3.41Å; E127-M138 WeakPolarHBondContact O-CE 3.46Å; E127-W287 HydrophobicContact CG-CH2 4.39Å; E127-W287 HydrophobicContact CG-CZ2 4.34Å; E127-W287 WeakPolarHBondContact OE1-CZ2 3.49Å
128	W	97.3	Very high	95.8	Very high	8 Å²	8	25.5 Å²	25.5	3%	0.03	13%	0.129	C	C	.	.			trans	-121.5	-1	-168.8	53.8	-96.7	0	0	0	112.4	G130 L133 M138 L139 V142 A161 L229 V263	W128-G130 PolarHBondContact O-N 2.99Å; W128-L133 HydrophobicContact CH2-CD1 3.56Å; W128-L133 HydrophobicContact CH2-CD2 4.44Å; W128-L133 HydrophobicContact CH2-CG 4.03Å; W128-L133 HydrophobicContact CZ3-CD1 3.63Å; W128-L133 HydrophobicContact CZ3-CG 3.88Å; W128-M138 HydrophobicContact CB-CB 4.18Å; W128-M138 HydrophobicContact CB-CE 4.34Å; W128-M138 HydrophobicContact CB-CG 3.86Å; W128-M138 HydrophobicContact CB-SD 4.3Å; W128-L139 HydrophobicContact CD2-CB 4.17Å; W128-L139 HydrophobicContact CD2-CD1 3.79Å; W128-L139 HydrophobicContact CD2-CG 4.47Å; W128-L139 HydrophobicContact CE3-CB 3.62Å; W128-L139 HydrophobicContact CE3-CD1 3.95Å; W128-L139 HydrophobicContact CE3-CD2 4.3Å; W128-L139 HydrophobicContact CE3-CG 4.14Å; W128-L139 HydrophobicContact CG-CD1 4.42Å; W128-L139 HydrophobicContact CH2-CD1 3.98Å; W128-L139 HydrophobicContact CH2-CD2 3.81Å; W128-L139 HydrophobicContact CH2-CG 4.34Å; W128-L139 HydrophobicContact CZ2-CD1 3.84Å; W128-L139 HydrophobicContact CZ2-CD2 4.47Å; W128-L139 HydrophobicContact CZ3-CB 3.88Å; W128-L139 HydrophobicContact CZ3-CD1 4.04Å; W128-L139 HydrophobicContact CZ3-CD2 3.73Å; W128-L139 HydrophobicContact CZ3-CG 4.08Å; W128-V142 HydrophobicContact CB-CG2 3.75Å; W128-V142 HydrophobicContact CG-CG2 3.93Å; W128-A161 HydrophobicContact CH2-CB 3.92Å; W128-A161 HydrophobicContact CZ2-CB 4.26Å; W128-L229 HydrophobicContact CZ2-CD1 4.11Å; W128-L229 HydrophobicContact CZ2-CD2 3.78Å; W128-L229 HydrophobicContact CZ2-CG 4.45Å; W128-V263 HydrophobicContact CZ2-CG1 4.5Å
129	M	97.9	Very high	95.8	Very high	5 Å²	5	21 Å²	21	3%	0.025	10%	0.099	C	C	.	.			trans	-81.3	122.6	-167.5	-62.3	85.5	63.8	0	0	109.2	Y42 E127 L133 P158 F261 V263 L276 W287	Y42-M129 HydrophobicContact CE2-CE 4.12Å; Y42-M129 WeakPolarHBondContact OH-CE 3.44Å; E127-M129 HydrophobicContact CG-CE 3.97Å; E127-M129 PolarHBondContact OE1-N 3.41Å; M129-L133 HydrophobicContact CB-CD1 4.16Å; M129-L133 HydrophobicContact CG-CD1 3.6Å; M129-P158 HydrophobicContact SD-CG 4.43Å; M129-F261 HydrophobicContact CB-CE2 3.94Å; M129-F261 HydrophobicContact CB-CZ 3.71Å; M129-F261 HydrophobicContact CE-CE2 4.49Å; M129-F261 HydrophobicContact CG-CE2 3.91Å; M129-F261 HydrophobicContact CG-CZ 4.21Å; M129-V263 HydrophobicContact CE-CG1 4.32Å; M129-V263 HydrophobicContact CE-CG2 3.93Å; M129-V263 HydrophobicContact CG-CG1 3.95Å; M129-V263 HydrophobicContact SD-CG1 4Å; M129-V263 HydrophobicContact SD-CG2 4.45Å; M129-L276 HydrophobicContact CE-CD2 4.09Å; M129-W287 HydrophobicContact CB-CZ2 4.07Å; M129-W287 HydrophobicContact CE-CH2 3.77Å; M129-W287 HydrophobicContact CE-CZ2 3.82Å; M129-W287 PolarHBondContact O-NE1 2.87Å
130	G	94.3	Very high	95.7	Very high	3 Å²	3	20.1 Å²	20.1	3%	0.031	10%	0.097	C	C	.	.	B	Isolated β-bridge	trans	-90.1	-175	168.8	0	0	0	0	0	112.2	W128 A132 L133 H135	W128-G130 PolarHBondContact O-N 2.99Å; G130-A132 PolarHBondContact O-N 2.82Å; G130-L133 PolarHBondContact N-O 2.9Å; G130-L133 VanDerWaalsContact N-O 3.09Å; G130-L133 VanDerWaalsContact O-CA 3.3Å; G130-L133 WeakPolarHBondContact O-CA 3.39Å; G130-L133 PolarHBondContact O-N 2.85Å; G130-H135 WeakPolarHBondContact CA-O 3.47Å
131	Y	92.6	Very high	95.7	Very high	67 Å²	67	16.4 Å²	16.4	26%	0.263	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	140.2	166.8	-61.4	-55.4	0	0	0	111.5	L133 H135 V209	Y131-L133 PolarHBondContact O-N 2.87Å; Y131-L133 VanDerWaalsContact O-N 3.13Å; Y131-H135 AromaticContact CD2-CD2 3.9Å; Y131-H135 WeakPolarHBondContact O-CB 3.37Å; Y131-H135 PolarHBondContact O-N 3.1Å; Y131-H135 VanDerWaalsContact O-N 3.14Å; Y131-V209 HydrophobicContact CD1-CB 4.4Å; Y131-V209 HydrophobicContact CD1-CG1 3.63Å; Y131-V209 HydrophobicContact CD1-CG2 3.91Å; Y131-V209 HydrophobicContact CD2-CG2 4.14Å; Y131-V209 HydrophobicContact CE1-CG1 3.62Å; Y131-V209 HydrophobicContact CE1-CG2 4.41Å; Y131-V209 HydrophobicContact CG-CG1 4.35Å; Y131-V209 HydrophobicContact CG-CG2 3.76Å
132	A	93.6	Very high	95.6	Very high	6 Å²	6	16.6 Å²	16.6	5%	0.05	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	35.3	-172	0	0	0	0	0	113.2	G130 L134 A290 M312 I324	G130-A132 PolarHBondContact O-N 2.82Å; A132-L134 PolarHBondContact O-N 2.89Å; A132-A290 HydrophobicContact CB-CB 3.81Å; A132-M312 HydrophobicContact CB-CE 4Å; A132-M312 WeakPolarHBondContact O-CE 3.43Å; A132-I324 HydrophobicContact CB-CD1 4.05Å
133	L	97.3	Very high	95.6	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	8%	0.075	C	C	.	.	B	Isolated β-bridge	trans	68.7	-50.5	-177.6	-171.1	68.9	0	0	0	115.5	W128 M129 G130 Y131 A161 L163 L227 F261 V263	W128-L133 HydrophobicContact CH2-CD1 3.56Å; W128-L133 HydrophobicContact CH2-CD2 4.44Å; W128-L133 HydrophobicContact CH2-CG 4.03Å; W128-L133 HydrophobicContact CZ3-CD1 3.63Å; W128-L133 HydrophobicContact CZ3-CG 3.88Å; M129-L133 HydrophobicContact CB-CD1 4.16Å; M129-L133 HydrophobicContact CG-CD1 3.6Å; G130-L133 PolarHBondContact N-O 2.9Å; G130-L133 VanDerWaalsContact N-O 3.09Å; G130-L133 VanDerWaalsContact O-CA 3.3Å; G130-L133 WeakPolarHBondContact O-CA 3.39Å; G130-L133 PolarHBondContact O-N 2.85Å; Y131-L133 PolarHBondContact O-N 2.87Å; Y131-L133 VanDerWaalsContact O-N 3.13Å; L133-A161 HydrophobicContact CD1-CB 4.04Å; L133-A161 HydrophobicContact CD2-CB 3.77Å; L133-L163 HydrophobicContact CB-CD2 3.85Å; L133-L163 HydrophobicContact CD2-CD1 3.96Å; L133-L163 HydrophobicContact CD2-CD2 4.03Å; L133-L163 HydrophobicContact CD2-CG 3.76Å; L133-L227 HydrophobicContact CD2-CD1 3.99Å; L133-F261 HydrophobicContact CB-CB 3.95Å; L133-F261 HydrophobicContact CB-CD1 3.79Å; L133-F261 HydrophobicContact CB-CE1 4.42Å; L133-F261 HydrophobicContact CB-CG 3.88Å; L133-F261 HydrophobicContact CD1-CB 4.1Å; L133-F261 HydrophobicContact CD1-CD1 4.25Å; L133-F261 HydrophobicContact CD1-CD2 3.61Å; L133-F261 HydrophobicContact CD1-CE2 4.02Å; L133-F261 HydrophobicContact CD1-CG 3.74Å; L133-F261 HydrophobicContact CD1-CZ 4.49Å; L133-F261 HydrophobicContact CD2-CB 4.37Å; L133-F261 HydrophobicContact CG-CB 4.38Å; L133-F261 HydrophobicContact CG-CG 4.35Å; L133-V263 HydrophobicContact CD1-CG1 4.25Å
134	L	94.8	Very high	95.6	Very high	12 Å²	12	18.4 Å²	18.4	6%	0.063	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-1.1	-165	-61	177.1	0	0	0	114.3	A132 S137 L139 L227 L237 V240 M312 I322	A132-L134 PolarHBondContact O-N 2.89Å; L134-S137 PolarHBondContact O-N 3.5Å; L134-L139 HydrophobicContact CD2-CD2 4.08Å; L134-L227 HydrophobicContact CD2-CD1 4.15Å; L134-L237 HydrophobicContact CD2-CD2 4.43Å; L134-V240 HydrophobicContact CD1-CB 4.21Å; L134-V240 HydrophobicContact CD1-CG2 3.78Å; L134-M312 HydrophobicContact CB-CE 4.43Å; L134-M312 HydrophobicContact CD1-CB 4.39Å; L134-M312 HydrophobicContact CD1-CE 4.42Å; L134-I322 HydrophobicContact CB-CD1 3.85Å; L134-I322 HydrophobicContact CB-CG1 4.19Å
135	H	89.8	Confident	95.6	Very high	18 Å²	18	18.4 Å²	18.4	8%	0.083	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	151.4	167.3	-170.1	53.2	0	0	0	110.2	G130 Y131 S137 R320 H321 I322 I342	G130-H135 WeakPolarHBondContact CA-O 3.47Å; Y131-H135 AromaticContact CD2-CD2 3.9Å; Y131-H135 WeakPolarHBondContact O-CB 3.37Å; Y131-H135 PolarHBondContact O-N 3.1Å; Y131-H135 VanDerWaalsContact O-N 3.14Å; H135-S137 PolarHBondContact O-N 3.47Å; H135-R320 PolarHBondContact ND1-O 2.83Å; H135-R320 VanDerWaalsContact ND1-O 3.16Å; H135-H321 AromaticContact CE1-CD2 3.61Å; H135-I322 HydrophobicContact CB-CG2 4.21Å; H135-I342 HydrophobicContact CB-CD1 3.84Å; H135-I342 VanDerWaalsContact ND1-CD1 3.31Å; H135-I342 WeakPolarHBondContact ND1-CD1 3.32Å
136	E	86.4	Confident	95.6	Very high	34 Å²	34	19.4 Å²	19.4	16%	0.159	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	-15	-176.4	-55.8	-178.6	172.7	0	0	116.4	Y19 Y23 M138 R320	Y19-E136 HydrophobicContact CD2-CB 4.28Å; Y19-E136 HydrophobicContact CD2-CG 4.38Å; Y19-E136 HydrophobicContact CE2-CB 3.64Å; Y19-E136 HydrophobicContact CE2-CG 3.96Å; Y19-E136 WeakPolarHBondContact CE2-OE2 3.4Å; Y23-E136 WeakPolarHBondContact CE2-OE2 3.43Å; Y23-E136 PolarHBondContact OH-OE2 3.3Å; E136-M138 PolarHBondContact O-N 3.33Å; E136-R320 VanDerWaalsContact CA-O 3.27Å; E136-R320 WeakPolarHBondContact CA-O 3.41Å; E136-R320 PolarHBondContact N-O 2.91Å; E136-R320 PolarHBondContact O-NH1 3.44Å
137	S	89.5	Confident	95.5	Very high	19 Å²	19	24.5 Å²	24.5	13%	0.133	12%	0.12	C	C	.	.			trans	58	25.2	172.6	-65.6	0	0	0	0	115	L134 H135 L139 N140 S319	L134-S137 PolarHBondContact O-N 3.5Å; H135-S137 PolarHBondContact O-N 3.47Å; S137-L139 PolarHBondContact O-N 3.42Å; S137-N140 WeakPolarHBondContact O-CB 3.38Å; S137-N140 PolarHBondContact O-N 3.25Å; S137-N140 PolarHBondContact O-ND2 3.49Å; S137-S319 WeakPolarHBondContact CB-O 3.43Å; S137-S319 PolarHBondContact OG-O 3.1Å
138	M	93.6	Very high	95.5	Very high	22 Å²	22	26.9 Å²	26.9	11%	0.108	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-23.9	-179.8	-177.3	168.7	164	0	0	113.1	Y19 V61 E127 W128 E136 N140 S141 V142	Y19-M138 PolarHBondContact OH-SD 2.87Å; V61-M138 WeakPolarHBondContact O-CE 3.14Å; E127-M138 WeakPolarHBondContact O-CE 3.46Å; W128-M138 HydrophobicContact CB-CB 4.18Å; W128-M138 HydrophobicContact CB-CE 4.34Å; W128-M138 HydrophobicContact CB-CG 3.86Å; W128-M138 HydrophobicContact CB-SD 4.3Å; E136-M138 PolarHBondContact O-N 3.33Å; M138-N140 PolarHBondContact O-N 3.28Å; M138-N140 VanDerWaalsContact O-N 3.11Å; M138-S141 WeakPolarHBondContact O-CB 3.38Å; M138-S141 PolarHBondContact O-N 3.46Å; M138-V142 PolarHBondContact O-N 3.11Å
139	L	96.6	Very high	95.6	Very high	5 Å²	5	27.4 Å²	27.4	3%	0.026	13%	0.131	C	C	.	.	H	α-helix	trans	-53.6	-33.8	173.8	-175.6	55.3	0	0	0	112.3	W128 L134 S137 S141 V142 L143 L227 L229 L237	W128-L139 HydrophobicContact CD2-CB 4.17Å; W128-L139 HydrophobicContact CD2-CD1 3.79Å; W128-L139 HydrophobicContact CD2-CG 4.47Å; W128-L139 HydrophobicContact CE3-CB 3.62Å; W128-L139 HydrophobicContact CE3-CD1 3.95Å; W128-L139 HydrophobicContact CE3-CD2 4.3Å; W128-L139 HydrophobicContact CE3-CG 4.14Å; W128-L139 HydrophobicContact CG-CD1 4.42Å; W128-L139 HydrophobicContact CH2-CD1 3.98Å; W128-L139 HydrophobicContact CH2-CD2 3.81Å; W128-L139 HydrophobicContact CH2-CG 4.34Å; W128-L139 HydrophobicContact CZ2-CD1 3.84Å; W128-L139 HydrophobicContact CZ2-CD2 4.47Å; W128-L139 HydrophobicContact CZ3-CB 3.88Å; W128-L139 HydrophobicContact CZ3-CD1 4.04Å; W128-L139 HydrophobicContact CZ3-CD2 3.73Å; W128-L139 HydrophobicContact CZ3-CG 4.08Å; L134-L139 HydrophobicContact CD2-CD2 4.08Å; S137-L139 PolarHBondContact O-N 3.42Å; L139-S141 VanDerWaalsContact C-N 3.27Å; L139-S141 PolarHBondContact O-N 2.81Å; L139-V142 HydrophobicContact CD1-CB 4.32Å; L139-V142 WeakPolarHBondContact O-CB 3.42Å; L139-V142 PolarHBondContact O-N 2.95Å; L139-V142 VanDerWaalsContact O-N 3.1Å; L139-L143 HydrophobicContact CD1-CD2 4.09Å; L139-L143 HydrophobicContact CD1-CG 4.42Å; L139-L143 HydrophobicContact CG-CD2 4.44Å; L139-L143 HydrophobicContact CG-CG 4.33Å; L139-L143 WeakPolarHBondContact O-CG 3.39Å; L139-L143 PolarHBondContact O-N 2.95Å; L139-L227 HydrophobicContact CD2-CD1 4.14Å; L139-L229 HydrophobicContact CD1-CD2 4.09Å; L139-L229 HydrophobicContact CD1-CG 4.14Å; L139-L237 HydrophobicContact CB-CD1 4.15Å; L139-L237 HydrophobicContact CD2-CD1 3.57Å; L139-L237 HydrophobicContact CD2-CD2 3.63Å; L139-L237 HydrophobicContact CD2-CG 4.26Å; L139-L237 HydrophobicContact CG-CD1 3.67Å
140	N	96.1	Very high	95.6	Very high	54 Å²	54	28 Å²	28	29%	0.289	13%	0.134	S	C	.	.	H	α-helix	trans	-58.3	-39	176.5	-67.2	-28.8	0	0	0	112.5	S137 M138 L143 Y144 L237	S137-N140 WeakPolarHBondContact O-CB 3.38Å; S137-N140 PolarHBondContact O-N 3.25Å; S137-N140 PolarHBondContact O-ND2 3.49Å; M138-N140 PolarHBondContact O-N 3.28Å; M138-N140 VanDerWaalsContact O-N 3.11Å; N140-L143 PolarHBondContact O-N 3.06Å; N140-Y144 PolarHBondContact O-N 3.43Å; N140-L237 WeakPolarHBondContact OD1-CD1 3.47Å
141	S	97.5	Very high	95.9	Very high	22 Å²	22	31.3 Å²	31.3	15%	0.154	15%	0.147	C	C	.	.	H	α-helix	trans	-70	-36.3	177.3	-61.6	0	0	0	0	111.5	V112 E113 M138 L139 Y144 A145	V112-S141 WeakPolarHBondContact CG1-O 3.36Å; E113-S141 VanDerWaalsContact OE1-CB 3.26Å; E113-S141 WeakPolarHBondContact OE1-CB 3.32Å; E113-S141 PolarHBondContact OE1-OG 2.59Å; M138-S141 WeakPolarHBondContact O-CB 3.38Å; M138-S141 PolarHBondContact O-N 3.46Å; L139-S141 VanDerWaalsContact C-N 3.27Å; L139-S141 PolarHBondContact O-N 2.81Å; S141-Y144 WeakPolarHBondContact O-CB 3.19Å; S141-Y144 PolarHBondContact O-N 3.38Å; S141-A145 WeakPolarHBondContact O-CB 3.47Å; S141-A145 PolarHBondContact O-N 3.36Å
142	V	98.5	Very high	96.1	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.018	18%	0.18	C	C	.	.	H	α-helix	trans	-65.7	-42.4	173.5	-179.7	0	0	0	0	111.1	V61 I124 S126 W128 M138 L139 Y144 A145 R146	V61-V142 HydrophobicContact CB-CG2 4.44Å; V61-V142 HydrophobicContact CG1-CG2 4.27Å; I124-V142 HydrophobicContact CG2-CG1 4.35Å; S126-V142 WeakPolarHBondContact OG-CG2 3.48Å; W128-V142 HydrophobicContact CB-CG2 3.75Å; W128-V142 HydrophobicContact CG-CG2 3.93Å; M138-V142 PolarHBondContact O-N 3.11Å; L139-V142 HydrophobicContact CD1-CB 4.32Å; L139-V142 WeakPolarHBondContact O-CB 3.42Å; L139-V142 PolarHBondContact O-N 2.95Å; L139-V142 VanDerWaalsContact O-N 3.1Å; V142-Y144 VanDerWaalsContact C-N 3.35Å; V142-A145 WeakPolarHBondContact O-CB 3.32Å; V142-A145 PolarHBondContact O-N 3.41Å; V142-R146 WeakPolarHBondContact O-CB 3.13Å; V142-R146 PolarHBondContact O-N 3.07Å
143	L	98.4	Very high	96.2	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-64.2	-40.5	175.8	-60	-166.4	0	0	0	111.6	L139 N140 A145 R146 D147 V232 V234 L237	L139-L143 HydrophobicContact CD1-CD2 4.09Å; L139-L143 HydrophobicContact CD1-CG 4.42Å; L139-L143 HydrophobicContact CG-CD2 4.44Å; L139-L143 HydrophobicContact CG-CG 4.33Å; L139-L143 WeakPolarHBondContact O-CG 3.39Å; L139-L143 PolarHBondContact O-N 2.95Å; N140-L143 PolarHBondContact O-N 3.06Å; L143-A145 VanDerWaalsContact C-N 3.33Å; L143-A145 PolarHBondContact O-N 3.32Å; L143-R146 WeakPolarHBondContact O-CB 3.44Å; L143-R146 PolarHBondContact O-N 3.25Å; L143-D147 VanDerWaalsContact O-CG 3.29Å; L143-D147 PolarHBondContact O-N 2.93Å; L143-V232 HydrophobicContact CD1-CG1 4.07Å; L143-V232 WeakPolarHBondContact CD1-O 3.47Å; L143-V232 HydrophobicContact CD2-CG1 3.81Å; L143-V234 HydrophobicContact CB-CG2 4.41Å; L143-V234 HydrophobicContact CD1-CG2 4.09Å; L143-L237 HydrophobicContact CD1-CD1 3.6Å; L143-L237 HydrophobicContact CD1-CG 4.34Å; L143-L237 HydrophobicContact CG-CD1 4.39Å
144	Y	98.3	Very high	96.2	Very high	83 Å²	83	37.9 Å²	37.9	33%	0.325	23%	0.225	S	C	.	.	H	α-helix	trans	-58.2	-47.2	172.7	-177.9	-82.3	0	0	0	111.5	V112 E113 N140 S141 V142 R146 D147 R148	V112-Y144 WeakPolarHBondContact O-CE1 3.35Å; E113-Y144 HydrophobicContact CB-CD1 4.36Å; E113-Y144 HydrophobicContact CB-CE1 4.21Å; E113-Y144 HydrophobicContact CB-CE2 4.45Å; E113-Y144 HydrophobicContact CG-CD1 4.1Å; E113-Y144 HydrophobicContact CG-CD2 4.18Å; E113-Y144 HydrophobicContact CG-CE1 4.44Å; E113-Y144 HydrophobicContact CG-CE2 4.46Å; E113-Y144 HydrophobicContact CG-CG 3.98Å; E113-Y144 PolarHBondContact O-OH 2.75Å; E113-Y144 VanDerWaalsContact O-OH 3.1Å; N140-Y144 PolarHBondContact O-N 3.43Å; S141-Y144 WeakPolarHBondContact O-CB 3.19Å; S141-Y144 PolarHBondContact O-N 3.38Å; V142-Y144 VanDerWaalsContact C-N 3.35Å; Y144-R146 VanDerWaalsContact C-N 3.33Å; Y144-R146 PolarHBondContact O-N 2.65Å; Y144-D147 PolarHBondContact O-N 3.16Å; Y144-R148 HydrophobicContact CE1-CB 4.13Å; Y144-R148 VanDerWaalsContact CE1-CD 3.43Å; Y144-R148 HydrophobicContact CE1-CG 4.42Å; Y144-R148 WeakPolarHBondContact O-CB 3.21Å; Y144-R148 PolarHBondContact O-N 3.04Å; Y144-R148 WeakPolarHBondContact OH-CD 3.29Å; Y144-R148 PolarHBondContact OH-NH1 3.1Å
145	A	98.6	Very high	96.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.7	-41.5	178.2	0	0	0	0	0	112	L59 V61 V112 I124 S141 V142 L143 W149 L150	L59-A145 HydrophobicContact CD2-CB 3.92Å; V61-A145 HydrophobicContact CG2-CB 3.69Å; V112-A145 HydrophobicContact CG2-CB 3.65Å; I124-A145 HydrophobicContact CD1-CB 4.12Å; S141-A145 WeakPolarHBondContact O-CB 3.47Å; S141-A145 PolarHBondContact O-N 3.36Å; V142-A145 WeakPolarHBondContact O-CB 3.32Å; V142-A145 PolarHBondContact O-N 3.41Å; L143-A145 VanDerWaalsContact C-N 3.33Å; L143-A145 PolarHBondContact O-N 3.32Å; A145-W149 WeakPolarHBondContact O-CA 3.42Å; A145-W149 VanDerWaalsContact O-CB 3.32Å; A145-W149 WeakPolarHBondContact O-CB 3.46Å; A145-W149 PolarHBondContact O-N 2.79Å; A145-L150 PolarHBondContact O-N 3.2Å
146	R	98.6	Very high	96.7	Very high	22 Å²	22	37.8 Å²	37.8	8%	0.083	23%	0.225	C	C	.	.	H	α-helix	trans	-57	-53.7	173.8	177.5	-162.1	72.5	-168.5	-3.8	111.1	I124 V142 L143 Y144 R148 L150 I156 L229 V232	I124-R146 HydrophobicContact CD1-CB 4.3Å; V142-R146 WeakPolarHBondContact O-CB 3.13Å; V142-R146 PolarHBondContact O-N 3.07Å; L143-R146 WeakPolarHBondContact O-CB 3.44Å; L143-R146 PolarHBondContact O-N 3.25Å; Y144-R146 VanDerWaalsContact C-N 3.33Å; Y144-R146 PolarHBondContact O-N 2.65Å; R146-R148 VanDerWaalsContact C-N 3.34Å; R146-R148 PolarHBondContact O-N 3.15Å; R146-L150 HydrophobicContact CG-CD2 4.02Å; R146-L150 WeakPolarHBondContact O-CB 3.39Å; R146-L150 PolarHBondContact O-N 3.03Å; R146-I156 HydrophobicContact CG-CD1 3.87Å; R146-L229 WeakPolarHBondContact CD-O 3.46Å; R146-L229 PolarHBondContact NH1-O 3.09Å; R146-V232 PolarHBondContact NH1-O 2.81Å; R146-V232 PolarHBondContact NH2-O 2.91Å
147	D	98.4	Very high	97.3	Very high	108 Å²	108	36.2 Å²	36.2	58%	0.578	22%	0.217	S	C	*	.	H	α-helix	trans	-69.3	-34.4	-172.5	-65.3	-16.8	0	0	0	112.1	L143 Y144	L143-D147 VanDerWaalsContact O-CG 3.29Å; L143-D147 PolarHBondContact O-N 2.93Å; Y144-D147 PolarHBondContact O-N 3.16Å
148	R	98.3	Very high	97.7	Very high	70 Å²	70	35.3 Å²	35.3	26%	0.264	21%	0.211	S	C	.	.	H	α-helix	trans	-85.1	-51.6	-179	-172.3	172.7	177.9	176.8	-3.3	113	E113 E116 K120 Y144 R146	E113-R148 PolarHBondContact O-NH1 3.42Å; E116-R148 IonicContact OE1-CZ 3.21Å; E116-R148 IonicContact OE1-NH2 3.3Å; E116-R148 PolarHBondContact OE1-NH2 2.81Å; E116-R148 IonicContact OE2-NH2 3.59Å; E116-R148 PolarHBondContact OE2-NH2 3.27Å; K120-R148 VanDerWaalsContact CE-O 3.29Å; K120-R148 WeakPolarHBondContact CE-O 3.33Å; K120-R148 PolarHBondContact NZ-O 3.28Å; Y144-R148 HydrophobicContact CE1-CB 4.13Å; Y144-R148 VanDerWaalsContact CE1-CD 3.43Å; Y144-R148 HydrophobicContact CE1-CG 4.42Å; Y144-R148 WeakPolarHBondContact O-CB 3.21Å; Y144-R148 PolarHBondContact O-N 3.04Å; Y144-R148 WeakPolarHBondContact OH-CD 3.29Å; Y144-R148 PolarHBondContact OH-NH1 3.1Å; R146-R148 VanDerWaalsContact C-N 3.34Å; R146-R148 PolarHBondContact O-N 3.15Å
149	W	98.7	Very high	97.9	Very high	20 Å²	20	35.2 Å²	35.2	8%	0.076	21%	0.213	C	C	.	.	H	α-helix	trans	-104.5	-25.6	-163	-61.6	120.3	0	0	0	114.6	L59 V115 L117 K120 V121 A145	L59-W149 HydrophobicContact CD2-CB 4.02Å; L59-W149 HydrophobicContact CD2-CG 4.27Å; V115-W149 VanDerWaalsContact O-CZ2 3.28Å; V115-W149 WeakPolarHBondContact O-CZ2 3.4Å; L117-W149 HydrophobicContact CB-CD2 4.23Å; L117-W149 HydrophobicContact CB-CE3 3.85Å; L117-W149 HydrophobicContact CB-CH2 4.06Å; L117-W149 HydrophobicContact CB-CZ2 4.39Å; L117-W149 HydrophobicContact CB-CZ3 3.76Å; L117-W149 HydrophobicContact CD1-CB 4.26Å; L117-W149 HydrophobicContact CD1-CD2 3.76Å; L117-W149 HydrophobicContact CD1-CE3 4.09Å; L117-W149 HydrophobicContact CD1-CG 3.82Å; L117-W149 HydrophobicContact CG-CD2 4Å; L117-W149 HydrophobicContact CG-CE3 4.16Å; L117-W149 HydrophobicContact CG-CH2 4.42Å; L117-W149 HydrophobicContact CG-CZ2 4.24Å; L117-W149 HydrophobicContact CG-CZ3 4.36Å; L117-W149 VanDerWaalsContact N-CH2 3.27Å; K120-W149 CarbonylContact C-O 3.58Å; K120-W149 VanDerWaalsContact CA-O 3.27Å; K120-W149 WeakPolarHBondContact CA-O 3.28Å; K120-W149 WeakPolarHBondContact CB-O 3.48Å; V121-W149 HydrophobicContact CG2-CB 4.43Å; V121-W149 PolarHBondContact N-O 2.73Å; A145-W149 WeakPolarHBondContact O-CA 3.42Å; A145-W149 VanDerWaalsContact O-CB 3.32Å; A145-W149 WeakPolarHBondContact O-CB 3.46Å; A145-W149 PolarHBondContact O-N 2.79Å
150	L	98.8	Very high	98	Very high	17 Å²	17	38.7 Å²	38.7	9%	0.089	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	138.2	-178	-163.6	64.5	0	0	0	111.2	V121 I124 A145 R146 I156	V121-L150 HydrophobicContact CG2-CD1 4.2Å; I124-L150 HydrophobicContact CD1-CB 3.89Å; I124-L150 HydrophobicContact CD1-CD1 4.08Å; I124-L150 HydrophobicContact CD1-CD2 4.45Å; I124-L150 HydrophobicContact CD1-CG 4.36Å; I124-L150 HydrophobicContact CG1-CD1 4.02Å; A145-L150 PolarHBondContact O-N 3.2Å; R146-L150 HydrophobicContact CG-CD2 4.02Å; R146-L150 WeakPolarHBondContact O-CB 3.39Å; R146-L150 PolarHBondContact O-N 3.03Å; L150-I156 HydrophobicContact CD2-CD1 3.91Å; L150-I156 HydrophobicContact CD2-CG1 3.67Å
151	K	98.6	Very high	98.1	Very high	73 Å²	73	36.1 Å²	36.1	32%	0.317	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	152.2	168.2	-68.2	176.7	-173	164.9	0	110	K120 V121 E122 G153 G154	K120-K151 HydrophobicContact CB-CD 4.43Å; K120-K151 HydrophobicContact CB-CG 3.71Å; K120-K151 HydrophobicContact CD-CG 4.49Å; K120-K151 WeakPolarHBondContact O-CE 3.39Å; K120-K151 PolarHBondContact O-NZ 2.86Å; V121-K151 WeakPolarHBondContact O-CG 2.96Å; V121-K151 PolarHBondContact O-N 3.23Å; E122-K151 HydrophobicContact CG-CD 4.05Å; E122-K151 IonicContact OE1-NZ 2.86Å; E122-K151 PolarHBondContact OE1-NZ 3.21Å; E122-K151 IonicContact OE2-NZ 2.63Å; K151-G153 PolarHBondContact O-N 3.22Å; K151-G154 PolarHBondContact O-N 3.04Å
152	A	97.4	Very high	98.1	Very high	114 Å²	114	35.8 Å²	35.8	94%	0.942	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-57.2	130	174.4	0	0	0	0	0	110.5	G154	A152-G154 VanDerWaalsContact C-N 3.27Å; A152-G154 PolarHBondContact O-N 3.09Å
153	G	95.8	Very high	98.1	Very high	88 Å²	88	35.7 Å²	35.7	91%	0.907	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	74.8	11.3	-174.7	0	0	0	0	0	114.9	K151	K151-G153 PolarHBondContact O-N 3.22Å
154	G	97.5	Very high	98.1	Very high	9 Å²	9	37.6 Å²	37.6	9%	0.093	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	157.7	174.3	0	0	0	0	0	113	E122 K151 A152 H230	E122-G154 CarbonylContact O-C 3.46Å; E122-G154 WeakPolarHBondContact O-CA 3.5Å; K151-G154 PolarHBondContact O-N 3.04Å; A152-G154 VanDerWaalsContact C-N 3.27Å; A152-G154 PolarHBondContact O-N 3.09Å; G154-H230 PolarHBondContact O-CE1 2.52Å
155	L	97.7	Very high	98.2	Very high	25 Å²	25	33.6 Å²	33.6	13%	0.131	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	137.6	-177.9	-179	64.8	0	0	0	110.6	N49 L52 I53 E122 V123 I124 L157 P266	N49-L155 HydrophobicContact CB-CD2 4.16Å; L52-L155 HydrophobicContact CB-CD2 4.21Å; L52-L155 HydrophobicContact CD1-CD2 4.48Å; I53-L155 HydrophobicContact CG1-CD2 4.42Å; E122-L155 PolarHBondContact O-N 3.35Å; V123-L155 CarbonylContact C-O 3.59Å; V123-L155 VanDerWaalsContact CA-O 3.31Å; V123-L155 WeakPolarHBondContact CA-O 3.11Å; V123-L155 HydrophobicContact CB-CB 4.43Å; V123-L155 HydrophobicContact CG1-CB 4.14Å; V123-L155 HydrophobicContact CG1-CD2 4.04Å; V123-L155 HydrophobicContact CG1-CG 4.2Å; V123-L155 HydrophobicContact CG2-CB 4.14Å; V123-L155 HydrophobicContact CG2-CD2 4.35Å; I124-L155 PolarHBondContact N-O 3.19Å; L155-L157 HydrophobicContact CD1-CD2 4.03Å; L155-L157 HydrophobicContact CD2-CD1 4.18Å; L155-L157 HydrophobicContact CD2-CD2 4.12Å; L155-L157 HydrophobicContact CD2-CG 4.14Å; L155-L157 HydrophobicContact CG-CD2 4Å; L155-L157 HydrophobicContact CG-CG 4.06Å; L155-P266 HydrophobicContact CD1-CB 4.4Å; L155-P266 HydrophobicContact CD1-CG 3.48Å; L155-P266 VanDerWaalsContact CD1-CG 3.48Å
156	I	98.5	Very high	98.2	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.015	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.7	171.5	-50.6	175.9	0	0	0	108.3	I124 R146 L150 P158 S159 L229	I124-I156 HydrophobicContact CG2-CG2 4.45Å; I124-I156 CarbonylContact O-C 3.37Å; I124-I156 WeakPolarHBondContact O-CA 3.26Å; R146-I156 HydrophobicContact CG-CD1 3.87Å; L150-I156 HydrophobicContact CD2-CD1 3.91Å; L150-I156 HydrophobicContact CD2-CG1 3.67Å; I156-P158 CarbonylContact C-O 3.52Å; I156-P158 VanDerWaalsContact CG2-O 3.31Å; I156-P158 WeakPolarHBondContact CG2-O 3.33Å; I156-P158 CarbonylContact O-C 3.55Å; I156-P158 VanDerWaalsContact O-C 3.32Å; I156-S159 WeakPolarHBondContact O-CB 3.47Å; I156-S159 PolarHBondContact O-N 3.33Å; I156-L229 HydrophobicContact CD1-CB 4.39Å; I156-L229 HydrophobicContact CG2-CB 4.33Å; I156-L229 HydrophobicContact CG2-CD2 4.24Å
157	L	98.3	Very high	98.1	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	112.2	179.8	-61.5	-178.2	0	0	0	110.2	I46 I53 I124 V125 S126 L155 F265 P266	I46-L157 HydrophobicContact CG1-CD1 4.09Å; I53-L157 HydrophobicContact CD1-CD1 4.26Å; I124-L157 PolarHBondContact O-N 2.82Å; V125-L157 WeakPolarHBondContact CA-O 3.32Å; V125-L157 HydrophobicContact CB-CB 4.43Å; V125-L157 HydrophobicContact CG2-CB 4.21Å; S126-L157 PolarHBondContact N-O 2.92Å; S126-L157 VanDerWaalsContact N-O 3.12Å; L155-L157 HydrophobicContact CD1-CD2 4.03Å; L155-L157 HydrophobicContact CD2-CD1 4.18Å; L155-L157 HydrophobicContact CD2-CD2 4.12Å; L155-L157 HydrophobicContact CD2-CG 4.14Å; L155-L157 HydrophobicContact CG-CD2 4Å; L155-L157 HydrophobicContact CG-CG 4.06Å; L157-F265 HydrophobicContact CB-CD1 4Å; L157-F265 HydrophobicContact CB-CE1 4.25Å; L157-F265 HydrophobicContact CD2-CD1 4.2Å; L157-P266 HydrophobicContact CD2-CG 3.79Å
158	P	98.3	Very high	98.1	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	17%	0.167	C	C	.	.	S	Bend	cis	-71.7	163.5	-8.4	31.7	-36.3	0	0	0	112.7	Y42 S126 M129 I156 L229 V263 T264 F265	Y42-P158 WeakPolarHBondContact OH-CD 3.42Å; S126-P158 WeakPolarHBondContact O-CD 3.4Å; M129-P158 HydrophobicContact SD-CG 4.43Å; I156-P158 CarbonylContact C-O 3.52Å; I156-P158 VanDerWaalsContact CG2-O 3.31Å; I156-P158 WeakPolarHBondContact CG2-O 3.33Å; I156-P158 CarbonylContact O-C 3.55Å; I156-P158 VanDerWaalsContact O-C 3.32Å; P158-L229 WeakPolarHBondContact O-CD2 3.43Å; P158-V263 HydrophobicContact CB-CB 3.8Å; P158-V263 HydrophobicContact CB-CG2 4.04Å; P158-V263 HydrophobicContact CG-CB 3.8Å; P158-V263 HydrophobicContact CG-CG1 4.24Å; P158-V263 HydrophobicContact CG-CG2 3.95Å; P158-T264 WeakPolarHBondContact CB-O 3.36Å; P158-F265 HydrophobicContact CB-CD1 3.96Å; P158-F265 HydrophobicContact CB-CD2 4.42Å; P158-F265 HydrophobicContact CB-CE1 3.81Å; P158-F265 HydrophobicContact CB-CE2 4.27Å; P158-F265 HydrophobicContact CB-CG 4.28Å; P158-F265 HydrophobicContact CB-CZ 3.97Å; P158-F265 HydrophobicContact CG-CE1 4.35Å; P158-F265 HydrophobicContact CG-CZ 4.38Å
159	S	97	Very high	97.9	Very high	20 Å²	20	25.5 Å²	25.5	14%	0.14	17%	0.165	C	C	.	.			trans	-103.5	-15.8	-178.1	71	0	0	0	0	114.3	I156 L229 T264 P266	I156-S159 WeakPolarHBondContact O-CB 3.47Å; I156-S159 PolarHBondContact O-N 3.33Å; S159-L229 WeakPolarHBondContact O-CB 3.42Å; S159-L229 PolarHBondContact O-N 2.97Å; S159-T264 PolarHBondContact N-O 3.38Å; S159-P266 WeakPolarHBondContact OG-CD 3.09Å
160	R	97.9	Very high	97.5	Very high	78 Å²	78	25 Å²	25	29%	0.294	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	144.4	-178.3	169.8	172.3	142.1	174.4	-14	110.7	E162 E226 L227 V263 T264	R160-E162 HydrophobicContact CG-CG 4.44Å; R160-E162 IonicContact CZ-OE1 3.44Å; R160-E162 IonicContact NE-OE1 3.45Å; R160-E162 IonicContact NH2-OE1 2.83Å; R160-E162 PolarHBondContact NH2-OE1 2.93Å; R160-E162 IonicContact NH2-OE2 3.52Å; R160-E226 WeakPolarHBondContact CD-OE1 3.31Å; R160-E226 HydrophobicContact CG-CG 4.1Å; R160-E226 IonicContact CZ-OE1 2.88Å; R160-E226 VanDerWaalsContact CZ-OE1 3.3Å; R160-E226 IonicContact CZ-OE2 2.74Å; R160-E226 IonicContact NE-OE1 2.64Å; R160-E226 PolarHBondContact NE-OE1 3.04Å; R160-E226 IonicContact NE-OE2 3.76Å; R160-E226 IonicContact NH1-OE1 2.86Å; R160-E226 PolarHBondContact NH1-OE1 3.01Å; R160-E226 IonicContact NH1-OE2 2.63Å; R160-E226 PolarHBondContact NH1-OE2 2.89Å; R160-E226 IonicContact NH2-OE2 3.9Å; R160-L227 CarbonylContact C-O 3.28Å; R160-L227 VanDerWaalsContact CA-O 3.29Å; R160-L227 WeakPolarHBondContact CA-O 3.41Å; R160-V263 CarbonylContact O-C 3.57Å; R160-V263 VanDerWaalsContact O-CA 3.26Å; R160-V263 WeakPolarHBondContact O-CA 3.24Å; R160-T264 PolarHBondContact N-O 2.83Å; R160-T264 PolarHBondContact O-N 2.98Å
161	A	98.6	Very high	96.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	148.8	169.3	0	0	0	0	0	110.7	W128 L133 E226 L227 T262 V263	W128-A161 HydrophobicContact CH2-CB 3.92Å; W128-A161 HydrophobicContact CZ2-CB 4.26Å; L133-A161 HydrophobicContact CD1-CB 4.04Å; L133-A161 HydrophobicContact CD2-CB 3.77Å; A161-E226 CarbonylContact O-C 3.6Å; A161-E226 WeakPolarHBondContact O-CA 3.2Å; A161-L227 HydrophobicContact CB-CB 4.34Å; A161-L227 PolarHBondContact N-O 2.79Å; A161-L227 PolarHBondContact O-N 2.84Å; A161-T262 CarbonylContact C-O 3.55Å; A161-T262 VanDerWaalsContact CA-O 3.3Å; A161-T262 WeakPolarHBondContact CA-O 3.44Å; A161-V263 HydrophobicContact CB-CG1 3.92Å
162	E	98.6	Very high	95.6	Very high	14 Å²	14	26.7 Å²	26.7	7%	0.065	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	144.5	176.3	-63	178.5	118.2	0	0	110	R160 Y164 R223 A225 E226 F261 T262	R160-E162 HydrophobicContact CG-CG 4.44Å; R160-E162 IonicContact CZ-OE1 3.44Å; R160-E162 IonicContact NE-OE1 3.45Å; R160-E162 IonicContact NH2-OE1 2.83Å; R160-E162 PolarHBondContact NH2-OE1 2.93Å; R160-E162 IonicContact NH2-OE2 3.52Å; E162-Y164 HydrophobicContact CB-CD2 4.44Å; E162-Y164 HydrophobicContact CB-CE2 3.57Å; E162-Y164 VanDerWaalsContact CD-OH 3.29Å; E162-Y164 PolarHBondContact OE2-OH 2.95Å; E162-R223 HydrophobicContact CB-CG 4.42Å; E162-R223 WeakPolarHBondContact OE1-CD 3.4Å; E162-R223 IonicContact OE1-CZ 2.79Å; E162-R223 IonicContact OE1-NE 3.2Å; E162-R223 IonicContact OE1-NH1 3.66Å; E162-R223 PolarHBondContact OE1-NH1 3.44Å; E162-A225 WeakPolarHBondContact CA-O 3.19Å; E162-E226 HydrophobicContact CG-CB 4.4Å; E162-E226 HydrophobicContact CG-CG 4.16Å; E162-F261 CarbonylContact O-C 3.5Å; E162-F261 WeakPolarHBondContact O-CA 3.32Å; E162-F261 VanDerWaalsContact O-CB 3.29Å; E162-F261 WeakPolarHBondContact O-CB 3.41Å; E162-T262 PolarHBondContact N-O 3Å; E162-T262 PolarHBondContact O-N 2.81Å; E162-T262 PolarHBondContact OE2-OG1 3.47Å
163	L	98.7	Very high	94.4	Very high	1 Å²	1	22 Å²	22	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	137.2	179.1	-76.7	157.7	0	0	0	110.7	L133 R223 F224 A225 V240 V259 F261 M312	L133-L163 HydrophobicContact CB-CD2 3.85Å; L133-L163 HydrophobicContact CD2-CD1 3.96Å; L133-L163 HydrophobicContact CD2-CD2 4.03Å; L133-L163 HydrophobicContact CD2-CG 3.76Å; L163-R223 WeakPolarHBondContact O-CA 3.28Å; L163-F224 HydrophobicContact CB-CD1 4.2Å; L163-F224 HydrophobicContact CB-CD2 4.42Å; L163-F224 HydrophobicContact CB-CE1 3.61Å; L163-F224 HydrophobicContact CB-CE2 3.85Å; L163-F224 HydrophobicContact CB-CZ 3.42Å; L163-F224 VanDerWaalsContact CB-CZ 3.42Å; L163-F224 HydrophobicContact CD1-CE2 4.04Å; L163-F224 HydrophobicContact CD1-CZ 4.02Å; L163-F224 HydrophobicContact CD2-CZ 4.25Å; L163-F224 HydrophobicContact CG-CZ 4.11Å; L163-F224 PolarHBondContact O-N 2.81Å; L163-A225 HydrophobicContact CB-CB 4.26Å; L163-A225 HydrophobicContact CD1-CB 4.17Å; L163-A225 PolarHBondContact N-O 2.94Å; L163-V240 HydrophobicContact CD1-CG1 4.12Å; L163-V259 HydrophobicContact CD2-CG1 4.33Å; L163-F261 HydrophobicContact CD2-CB 4.03Å; L163-M312 HydrophobicContact CD1-SD 3.64Å; L163-M312 HydrophobicContact CD2-SD 4.06Å; L163-M312 HydrophobicContact CG-SD 4.46Å
164	Y	98.8	Very high	93.4	Very high	42 Å²	42	23.3 Å²	23.3	17%	0.165	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	148.9	-175.6	-62.5	-95.9	0	0	0	110.5	E162 P221 A222 R223 V259 Y260 T262	E162-Y164 HydrophobicContact CB-CD2 4.44Å; E162-Y164 HydrophobicContact CB-CE2 3.57Å; E162-Y164 VanDerWaalsContact CD-OH 3.29Å; E162-Y164 PolarHBondContact OE2-OH 2.95Å; Y164-P221 HydrophobicContact CD1-CB 4.27Å; Y164-A222 CarbonylContact C-O 3.52Å; Y164-A222 WeakPolarHBondContact CA-O 3.36Å; Y164-R223 HydrophobicContact CD1-CB 3.81Å; Y164-R223 HydrophobicContact CD1-CG 4.38Å; Y164-R223 HydrophobicContact CE1-CB 3.59Å; Y164-R223 HydrophobicContact CE1-CG 4.01Å; Y164-V259 WeakPolarHBondContact O-CA 3.24Å; Y164-Y260 HydrophobicContact CD2-CD2 4.13Å; Y164-Y260 AromaticContact CD2-CE2 3.59Å; Y164-Y260 HydrophobicContact CD2-CE2 3.59Å; Y164-Y260 HydrophobicContact CE2-CE2 4.44Å; Y164-Y260 HydrophobicContact CG-CD2 4.4Å; Y164-Y260 AromaticContact CG-CE2 3.65Å; Y164-Y260 HydrophobicContact CG-CE2 3.65Å; Y164-Y260 AromaticContact CG-CZ 3.77Å; Y164-Y260 PolarHBondContact N-O 2.79Å; Y164-Y260 PolarHBondContact O-N 2.93Å; Y164-Y260 VanDerWaalsContact O-N 3.17Å; Y164-T262 HydrophobicContact CD2-CG2 4.41Å; Y164-T262 HydrophobicContact CE2-CG2 3.86Å
165	I	98.7	Very high	92.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.4	172.4	-171.5	168.3	0	0	0	110.1	A222 F224 F244 F257 C258 V259 V310 V326	I165-A222 HydrophobicContact CG2-CB 4.38Å; I165-A222 PolarHBondContact N-O 2.94Å; I165-A222 PolarHBondContact O-N 3.27Å; I165-F224 HydrophobicContact CB-CD1 4.02Å; I165-F224 HydrophobicContact CB-CE1 4.23Å; I165-F224 HydrophobicContact CG2-CD1 3.93Å; I165-F244 HydrophobicContact CD1-CE1 4.28Å; I165-F244 HydrophobicContact CD1-CZ 4.39Å; I165-F244 HydrophobicContact CG2-CB 3.62Å; I165-F244 HydrophobicContact CG2-CD1 3.97Å; I165-F244 HydrophobicContact CG2-CD2 3.91Å; I165-F244 HydrophobicContact CG2-CG 3.57Å; I165-F257 HydrophobicContact CD1-CB 3.94Å; I165-F257 HydrophobicContact CD1-CD1 4.04Å; I165-F257 HydrophobicContact CD1-CG 4Å; I165-F257 HydrophobicContact CG1-CB 4.02Å; I165-F257 HydrophobicContact CG1-CD1 4.06Å; I165-F257 HydrophobicContact CG1-CG 4.3Å; I165-C258 VanDerWaalsContact CA-O 3.32Å; I165-C258 WeakPolarHBondContact CA-O 3.32Å; I165-V259 HydrophobicContact CB-CG2 4.32Å; I165-V259 HydrophobicContact CD1-CG2 4.22Å; I165-V259 HydrophobicContact CG1-CG2 4.08Å; I165-V310 HydrophobicContact CB-CG2 4.46Å; I165-V310 HydrophobicContact CD1-CG2 3.5Å; I165-V310 VanDerWaalsContact CD1-CG2 3.5Å; I165-V310 HydrophobicContact CG2-CG2 4.2Å; I165-V326 HydrophobicContact CD1-CG1 4.37Å
166	T	98.4	Very high	91.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	140.9	172.7	-175.1	0	0	0	0	110.9	I168 V217 S219 F257 C258	T166-I168 HydrophobicContact CG2-CG2 4.25Å; T166-V217 HydrophobicContact CG2-CG1 3.77Å; T166-V217 WeakPolarHBondContact OG1-CG1 3.27Å; T166-S219 PolarHBondContact OG1-O 2.88Å; T166-S219 PolarHBondContact OG1-OG 3.3Å; T166-S219 VanDerWaalsContact OG1-OG 3.13Å; T166-F257 CarbonylContact O-C 3.44Å; T166-F257 WeakPolarHBondContact O-CA 3.26Å; T166-C258 HydrophobicContact CG2-CB 3.99Å; T166-C258 PolarHBondContact N-O 2.87Å; T166-C258 PolarHBondContact O-N 3.33Å
167	P	98.1	Very high	91.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	142.7	168.5	28.2	-36.9	0	0	0	111.4	L218 S219 V254 F257 F306	P167-L218 HydrophobicContact CG-CB 4.32Å; P167-L218 WeakPolarHBondContact O-CB 3.29Å; P167-L218 PolarHBondContact O-N 2.8Å; P167-S219 VanDerWaalsContact CD-OG 3.23Å; P167-S219 WeakPolarHBondContact CD-OG 3.36Å; P167-V254 HydrophobicContact CB-CG1 3.88Å; P167-F257 HydrophobicContact CB-CD1 4.26Å; P167-F257 HydrophobicContact CB-CE1 4.15Å; P167-F306 HydrophobicContact CB-CD1 3.94Å; P167-F306 HydrophobicContact CB-CE1 3.57Å; P167-F306 HydrophobicContact CB-CZ 3.89Å; P167-F306 HydrophobicContact CG-CD1 4Å; P167-F306 HydrophobicContact CG-CD2 4.1Å; P167-F306 HydrophobicContact CG-CE1 3.87Å; P167-F306 HydrophobicContact CG-CE2 3.99Å; P167-F306 HydrophobicContact CG-CG 4.11Å; P167-F306 HydrophobicContact CG-CZ 3.86Å
168	I	97.1	Very high	90.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	156.3	177.7	67.7	168.3	0	0	0	112.1	T166 D170 V212 D216 V217 N255 A256 C258 V291	T166-I168 HydrophobicContact CG2-CG2 4.25Å; I168-D170 HydrophobicContact CD1-CB 4.15Å; I168-V212 HydrophobicContact CD1-CG1 4.23Å; I168-V212 HydrophobicContact CD1-CG2 3.96Å; I168-V212 HydrophobicContact CG2-CG1 4.02Å; I168-D216 CarbonylContact C-O 3.57Å; I168-D216 WeakPolarHBondContact CA-O 3.24Å; I168-D216 WeakPolarHBondContact CB-O 3.49Å; I168-V217 HydrophobicContact CG2-CG2 4.49Å; I168-N255 PolarHBondContact O-N 3.34Å; I168-N255 VanDerWaalsContact O-N 3.14Å; I168-N255 PolarHBondContact O-OD1 2.7Å; I168-A256 HydrophobicContact CD1-CB 4.02Å; I168-A256 HydrophobicContact CG1-CB 3.73Å; I168-A256 PolarHBondContact N-O 3.48Å; I168-A256 PolarHBondContact O-N 2.88Å; I168-C258 HydrophobicContact CD1-CB 4.24Å; I168-C258 HydrophobicContact CG2-CB 3.5Å; I168-C258 VanDerWaalsContact CG2-CB 3.5Å; I168-V291 HydrophobicContact CD1-CG1 4Å; I168-V291 HydrophobicContact CD1-CG2 4.25Å
169	S	95.1	Very high	90	Very high	29 Å²	29	44.9 Å²	44.9	20%	0.203	21%	0.213	C	C	.	.			trans	-109.1	99.9	163.9	-162.3	0	0	0	0	108.2	P171 D216 A253	S169-P171 VanDerWaalsContact O-CD 3.32Å; S169-P171 WeakPolarHBondContact O-CD 3.34Å; S169-D216 PolarHBondContact N-O 2.92Å; S169-D216 WeakPolarHBondContact O-CB 3.4Å; S169-A253 WeakPolarHBondContact CB-O 3.42Å; S169-A253 PolarHBondContact OG-O 3.22Å
170	D	89.9	Confident	89.8	Confident	9 Å²	9	46.5 Å²	46.5	5%	0.048	22%	0.216	C	C	.	.			trans	-92	110.2	-178.7	-176.5	-9.9	0	0	0	111.1	I168 V172 N255 Y293	I168-D170 HydrophobicContact CD1-CB 4.15Å; D170-V172 PolarHBondContact O-N 3.23Å; D170-V172 WeakPolarHBondContact OD1-CB 3.31Å; D170-V172 VanDerWaalsContact OD1-CG2 3.27Å; D170-V172 WeakPolarHBondContact OD1-CG2 3.12Å; D170-V172 PolarHBondContact OD1-N 3.09Å; D170-N255 WeakPolarHBondContact CB-OD1 3.3Å; D170-N255 PolarHBondContact N-ND2 3.04Å; D170-N255 PolarHBondContact N-OD1 2.87Å; D170-N255 PolarHBondContact O-ND2 3.49Å; D170-Y293 HydrophobicContact CB-CE1 4.08Å; D170-Y293 WeakPolarHBondContact OD2-CE1 3.19Å; D170-Y293 PolarHBondContact OD2-OH 2.82Å
171	P	82.6	Confident	89.5	Confident	54 Å²	54	48.6 Å²	48.6	35%	0.351	23%	0.225	S	C	.	.	H	α-helix	trans	-69.2	-20.5	179.7	29.4	-35.1	0	0	0	112.8	S169 V173 E174 D175 D216	S169-P171 VanDerWaalsContact O-CD 3.32Å; S169-P171 WeakPolarHBondContact O-CD 3.34Å; P171-V173 PolarHBondContact O-N 3.46Å; P171-V173 VanDerWaalsContact O-N 3.16Å; P171-E174 WeakPolarHBondContact O-CA 3.29Å; P171-E174 WeakPolarHBondContact O-CB 3.42Å; P171-E174 PolarHBondContact O-N 2.91Å; P171-D175 PolarHBondContact O-N 3.33Å; P171-D216 WeakPolarHBondContact CD-OD1 3.49Å
172	V	74.9	Confident	89.2	Confident	72 Å²	72	49.6 Å²	49.6	44%	0.436	23%	0.231	S	C	.	.	H	α-helix	trans	-59.3	-33.6	-178.7	177.9	0	0	0	0	110.9	D170 R176	D170-V172 PolarHBondContact O-N 3.23Å; D170-V172 WeakPolarHBondContact OD1-CB 3.31Å; D170-V172 VanDerWaalsContact OD1-CG2 3.27Å; D170-V172 WeakPolarHBondContact OD1-CG2 3.12Å; D170-V172 PolarHBondContact OD1-N 3.09Å; V172-R176 HydrophobicContact CG1-CG 4.04Å; V172-R176 VanDerWaalsContact O-CB 3.24Å; V172-R176 WeakPolarHBondContact O-CB 3.4Å; V172-R176 WeakPolarHBondContact O-CG 3.27Å; V172-R176 PolarHBondContact O-N 3.1Å
173	V	72	Confident	89.1	Confident	17 Å²	17	49.4 Å²	49.4	10%	0.103	23%	0.23	C	C	.	.	H	α-helix	trans	-62.3	-46.5	174.5	179.4	0	0	0	0	110.5	P171 L177 I202 Y293	P171-V173 PolarHBondContact O-N 3.46Å; P171-V173 VanDerWaalsContact O-N 3.16Å; V173-L177 HydrophobicContact CG1-CD1 3.91Å; V173-L177 WeakPolarHBondContact O-CB 3.4Å; V173-L177 WeakPolarHBondContact O-CD1 3.3Å; V173-L177 WeakPolarHBondContact O-CG 3.3Å; V173-L177 PolarHBondContact O-N 3.07Å; V173-L177 VanDerWaalsContact O-N 3.09Å; V173-I202 HydrophobicContact CG1-CG2 4.21Å; V173-I202 HydrophobicContact CG2-CG2 4.07Å; V173-Y293 HydrophobicContact CG2-CD1 3.7Å; V173-Y293 HydrophobicContact CG2-CE1 3.09Å; V173-Y293 HydrophobicContact CG2-CE2 4.37Å; V173-Y293 VanDerWaalsContact CG2-CZ 3.47Å
174	E	75	Confident	88.9	Confident	115 Å²	115	54.7 Å²	54.7	54%	0.537	25%	0.253	S	S	.	.	H	α-helix	trans	-65.9	-45.3	180	-61.9	-163	162.4	0	0	111.2	P171 R176 L177 Y178	P171-E174 WeakPolarHBondContact O-CA 3.29Å; P171-E174 WeakPolarHBondContact O-CB 3.42Å; P171-E174 PolarHBondContact O-N 2.91Å; E174-R176 PolarHBondContact O-N 3.2Å; E174-L177 CarbonylContact O-C 3.54Å; E174-L177 PolarHBondContact O-N 3.13Å; E174-L177 VanDerWaalsContact O-N 3.14Å; E174-Y178 VanDerWaalsContact O-CB 3.26Å; E174-Y178 WeakPolarHBondContact O-CB 3.26Å; E174-Y178 PolarHBondContact O-N 3.46Å
175	D	81.2	Confident	88.7	Confident	107 Å²	107	60.9 Å²	60.9	57%	0.572	28%	0.284	S	S	*	.	H	α-helix	trans	-61	-45.5	178.2	-75	-18.7	0	0	0	112.1	P171 L177 Y178 F179	P171-D175 PolarHBondContact O-N 3.33Å; D175-L177 PolarHBondContact O-N 2.96Å; D175-Y178 PolarHBondContact O-N 2.78Å; D175-F179 PolarHBondContact O-N 3.21Å
176	R	80.9	Confident	88.5	Confident	136 Å²	136	66 Å²	66	51%	0.513	31%	0.308	S	S	.	.	H	α-helix	trans	-64.5	-30	177	-73.8	-178.1	70.2	-170.1	1.5	112.6	V172 E174 W180 I202	V172-R176 HydrophobicContact CG1-CG 4.04Å; V172-R176 VanDerWaalsContact O-CB 3.24Å; V172-R176 WeakPolarHBondContact O-CB 3.4Å; V172-R176 WeakPolarHBondContact O-CG 3.27Å; V172-R176 PolarHBondContact O-N 3.1Å; E174-R176 PolarHBondContact O-N 3.2Å; R176-W180 PolarHBondContact O-NE1 3.17Å; R176-I202 HydrophobicContact CB-CD1 3.95Å
177	L	82.3	Confident	88.4	Confident	8 Å²	8	73.9 Å²	73.9	4%	0.042	34%	0.338	C	S	.	.	H	α-helix	trans	-80.6	-36	175.4	-68.5	175.8	0	0	0	112.1	V173 E174 D175 S195 A198 R199 I202	V173-L177 HydrophobicContact CG1-CD1 3.91Å; V173-L177 WeakPolarHBondContact O-CB 3.4Å; V173-L177 WeakPolarHBondContact O-CD1 3.3Å; V173-L177 WeakPolarHBondContact O-CG 3.3Å; V173-L177 PolarHBondContact O-N 3.07Å; V173-L177 VanDerWaalsContact O-N 3.09Å; E174-L177 CarbonylContact O-C 3.54Å; E174-L177 PolarHBondContact O-N 3.13Å; E174-L177 VanDerWaalsContact O-N 3.14Å; D175-L177 PolarHBondContact O-N 2.96Å; L177-S195 WeakPolarHBondContact CD2-O 3.02Å; L177-S195 PolarHBondContact O-OG 3.43Å; L177-A198 HydrophobicContact CD2-CB 3.98Å; L177-R199 HydrophobicContact CD1-CB 4.44Å; L177-R199 HydrophobicContact CD1-CG 4.4Å; L177-R199 VanDerWaalsContact CD1-CZ 3.47Å; L177-R199 HydrophobicContact CD2-CB 3.68Å; L177-R199 HydrophobicContact CD2-CG 4.48Å; L177-I202 HydrophobicContact CD2-CD1 4.19Å; L177-I202 HydrophobicContact CG-CD1 4.34Å
178	Y	85.6	Confident	88.3	Confident	142 Å²	142	77 Å²	77	56%	0.557	37%	0.371	S	S	*	.	H	α-helix	trans	-70.4	-34.8	179.2	-174.7	-105.8	0	0	0	112	E174 D175 W180 Y181 T182	E174-Y178 VanDerWaalsContact O-CB 3.26Å; E174-Y178 WeakPolarHBondContact O-CB 3.26Å; E174-Y178 PolarHBondContact O-N 3.46Å; D175-Y178 PolarHBondContact O-N 2.78Å; Y178-W180 PolarHBondContact O-N 3.48Å; Y178-Y181 HydrophobicContact CD2-CD2 4.45Å; Y178-Y181 WeakPolarHBondContact O-CB 3.05Å; Y178-Y181 PolarHBondContact O-N 3Å; Y178-T182 HydrophobicContact CD1-CG2 3.74Å; Y178-T182 HydrophobicContact CE1-CG2 3.43Å; Y178-T182 VanDerWaalsContact CE1-CG2 3.43Å; Y178-T182 PolarHBondContact O-N 3.38Å
179	F	89.4	Confident	88.3	Confident	99 Å²	99	81 Å²	81	43%	0.434	40%	0.395	S	S	.	.	H	α-helix	trans	-42	-46.4	175.6	171	-101.4	0	0	0	113	D175 Y181 T182 V183	D175-F179 PolarHBondContact O-N 3.21Å; F179-Y181 PolarHBondContact O-N 3.4Å; F179-T182 PolarHBondContact O-N 3.48Å; F179-T182 PolarHBondContact O-OG1 2.85Å; F179-V183 HydrophobicContact CE1-CG2 4.21Å; F179-V183 HydrophobicContact CZ-CG2 4.33Å; F179-V183 PolarHBondContact O-N 3.09Å
180	W	92.3	Very high	88.3	Confident	54 Å²	54	83.4 Å²	83.4	21%	0.205	41%	0.406	C	S	.	.	H	α-helix	trans	-64.1	-24.2	-177.6	-61.1	104.7	0	0	0	114.5	R176 Y178 M191 S192 M194 A198	R176-W180 PolarHBondContact O-NE1 3.17Å; Y178-W180 PolarHBondContact O-N 3.48Å; W180-M191 HydrophobicContact CE3-CB 4.14Å; W180-M191 HydrophobicContact CE3-CE 4.43Å; W180-M191 HydrophobicContact CZ3-CE 3.89Å; W180-M191 HydrophobicContact CZ3-SD 4.44Å; W180-M191 CarbonylContact O-C 3.59Å; W180-S192 PolarHBondContact O-N 3.14Å; W180-M194 HydrophobicContact CB-CB 4.22Å; W180-M194 HydrophobicContact CD2-CB 3.34Å; W180-M194 HydrophobicContact CD2-CG 4.2Å; W180-M194 HydrophobicContact CE3-CB 3.39Å; W180-M194 HydrophobicContact CE3-CG 3.73Å; W180-M194 HydrophobicContact CG-CB 3.72Å; W180-M194 HydrophobicContact CH2-CB 4.38Å; W180-M194 HydrophobicContact CH2-CE 3.9Å; W180-M194 HydrophobicContact CH2-CG 4.48Å; W180-M194 HydrophobicContact CZ2-CB 4.36Å; W180-M194 HydrophobicContact CZ2-CE 4.27Å; W180-M194 HydrophobicContact CZ3-CB 3.94Å; W180-M194 HydrophobicContact CZ3-CE 4.18Å; W180-M194 HydrophobicContact CZ3-CG 3.89Å; W180-A198 VanDerWaalsContact NE1-CB 3.28Å
181	Y	91.7	Very high	88.6	Confident	122 Å²	122	86.1 Å²	86.1	48%	0.478	42%	0.419	S	S	.	.	H	α-helix	trans	-77.9	-30.5	173.6	-64.6	-84.9	0	0	0	111.9	Y178 F179 V183	Y178-Y181 HydrophobicContact CD2-CD2 4.45Å; Y178-Y181 WeakPolarHBondContact O-CB 3.05Å; Y178-Y181 PolarHBondContact O-N 3Å; F179-Y181 PolarHBondContact O-N 3.4Å; Y181-V183 VanDerWaalsContact C-N 3.33Å; Y181-V183 PolarHBondContact O-N 3.33Å
182	T	93.1	Very high	89.1	Confident	21 Å²	21	85.4 Å²	85.4	13%	0.129	42%	0.415	C	S	.	.	H	α-helix	trans	-73.7	-22.7	-178.4	73.2	0	0	0	0	113.5	Y178 F179 K184 E185 Q186	Y178-T182 HydrophobicContact CD1-CG2 3.74Å; Y178-T182 HydrophobicContact CE1-CG2 3.43Å; Y178-T182 VanDerWaalsContact CE1-CG2 3.43Å; Y178-T182 PolarHBondContact O-N 3.38Å; F179-T182 PolarHBondContact O-N 3.48Å; F179-T182 PolarHBondContact O-OG1 2.85Å; T182-K184 PolarHBondContact O-N 3.44Å; T182-K184 VanDerWaalsContact O-N 3.17Å; T182-E185 PolarHBondContact O-N 2.96Å; T182-E185 VanDerWaalsContact O-N 3.1Å; T182-Q186 WeakPolarHBondContact O-CG 3.49Å; T182-Q186 PolarHBondContact O-N 3.33Å; T182-Q186 VanDerWaalsContact O-N 3.1Å; T182-Q186 PolarHBondContact OG1-NE2 3.43Å
183	V	94.7	Very high	89.9	Confident	10 Å²	10	86.5 Å²	86.5	6%	0.061	43%	0.425	C	S	.	.	H	α-helix	trans	-57.8	-34.5	-176.1	-176.1	0	0	0	0	112.2	F179 Y181 E185 Q186 Y187 V189 M191	F179-V183 HydrophobicContact CE1-CG2 4.21Å; F179-V183 HydrophobicContact CZ-CG2 4.33Å; F179-V183 PolarHBondContact O-N 3.09Å; Y181-V183 VanDerWaalsContact C-N 3.33Å; Y181-V183 PolarHBondContact O-N 3.33Å; V183-E185 PolarHBondContact O-N 2.89Å; V183-Q186 PolarHBondContact O-N 3.46Å; V183-Y187 HydrophobicContact CG1-CD2 3.94Å; V183-Y187 PolarHBondContact O-N 3.14Å; V183-V189 CarbonylContact C-O 3.51Å; V183-V189 WeakPolarHBondContact CG1-O 3.48Å; V183-M191 HydrophobicContact CB-CB 4.2Å; V183-M191 HydrophobicContact CB-CG 4.4Å; V183-M191 HydrophobicContact CG1-CB 4.21Å; V183-M191 HydrophobicContact CG1-CG 3.86Å; V183-M191 HydrophobicContact CG1-SD 3.79Å; V183-M191 HydrophobicContact CG2-CB 4.36Å
184	K	95.5	Very high	90.8	Very high	112 Å²	112	88.2 Å²	88.2	49%	0.487	43%	0.433	S	S	.	.	H	α-helix	trans	-63.2	-43.7	178.9	-171.5	-180	-169.2	159	0	112.1	T182 G188 V189 D190	T182-K184 PolarHBondContact O-N 3.44Å; T182-K184 VanDerWaalsContact O-N 3.17Å; K184-G188 WeakPolarHBondContact O-CA 3.42Å; K184-G188 PolarHBondContact O-N 2.77Å; K184-V189 VanDerWaalsContact CA-O 3.26Å; K184-V189 WeakPolarHBondContact CA-O 3.34Å; K184-V189 PolarHBondContact N-O 3.24Å; K184-D190 HydrophobicContact CD-CB 4.04Å; K184-D190 HydrophobicContact CG-CB 4.24Å; K184-D190 IonicContact NZ-OD2 3.34Å; K184-D190 PolarHBondContact NZ-OD2 3.3Å
185	E	94.6	Very high	91.2	Very high	172 Å²	172	82.9 Å²	82.9	80%	0.804	41%	0.408	S	S	*	.	H	α-helix	trans	-73.4	-36.7	-179	-63.3	-178.4	173.1	0	0	111.2	T182 V183	T182-E185 PolarHBondContact O-N 2.96Å; T182-E185 VanDerWaalsContact O-N 3.1Å; V183-E185 PolarHBondContact O-N 2.89Å
186	Q	95.3	Very high	91.2	Very high	107 Å²	107	82.8 Å²	82.8	50%	0.5	41%	0.407	S	S	.	.	H	α-helix	trans	-76.2	-39.7	-178.1	-67.6	177.5	10	0	0	113.4	T182 V183	T182-Q186 WeakPolarHBondContact O-CG 3.49Å; T182-Q186 PolarHBondContact O-N 3.33Å; T182-Q186 VanDerWaalsContact O-N 3.1Å; T182-Q186 PolarHBondContact OG1-NE2 3.43Å; V183-Q186 PolarHBondContact O-N 3.46Å
187	Y	95.9	Very high	91.2	Very high	165 Å²	165	81.3 Å²	81.3	65%	0.647	41%	0.405	S	S	*	.	H	α-helix	trans	-129	0.4	-168.3	-53.3	-71.2	0	0	0	114	V183 V189	V183-Y187 HydrophobicContact CG1-CD2 3.94Å; V183-Y187 PolarHBondContact O-N 3.14Å; Y187-V189 PolarHBondContact O-N 3.16Å
188	G	95.7	Very high	91.1	Very high	67 Å²	67	81.5 Å²	81.5	69%	0.691	41%	0.407	S	S	*	.	S	Bend	trans	73.2	11.9	-178.6	0	0	0	0	0	114.5	K184	K184-G188 WeakPolarHBondContact O-CA 3.42Å; K184-G188 PolarHBondContact O-N 2.77Å
189	V	96.6	Very high	90.7	Very high	82 Å²	82	79 Å²	79	50%	0.497	40%	0.397	S	S	.	.			trans	-116.9	117	-178.4	-175.5	0	0	0	0	110.1	V183 K184 Y187 M191	V183-V189 CarbonylContact C-O 3.51Å; V183-V189 WeakPolarHBondContact CG1-O 3.48Å; K184-V189 VanDerWaalsContact CA-O 3.26Å; K184-V189 WeakPolarHBondContact CA-O 3.34Å; K184-V189 PolarHBondContact N-O 3.24Å; Y187-V189 PolarHBondContact O-N 3.16Å; V189-M191 HydrophobicContact CG1-CG 3.95Å; V189-M191 PolarHBondContact O-N 3.18Å; V189-M191 VanDerWaalsContact O-N 3.14Å
190	D	95.2	Very high	90.1	Very high	80 Å²	80	82.4 Å²	82.4	43%	0.428	41%	0.407	S	S	.	.			trans	-76.5	101.1	178.2	-162.2	-28.5	0	0	0	110.8	K184 S192	K184-D190 HydrophobicContact CD-CB 4.04Å; K184-D190 HydrophobicContact CG-CB 4.24Å; K184-D190 IonicContact NZ-OD2 3.34Å; K184-D190 PolarHBondContact NZ-OD2 3.3Å; D190-S192 VanDerWaalsContact OD1-CB 3.29Å; D190-S192 WeakPolarHBondContact OD1-CB 3.37Å; D190-S192 PolarHBondContact OD1-N 2.62Å; D190-S192 PolarHBondContact OD1-OG 3.04Å
191	M	96.9	Very high	89.2	Confident	67 Å²	67	82.6 Å²	82.6	33%	0.33	42%	0.416	S	S	.	.			trans	-106.2	16.5	176.3	-62	-168.9	75.3	0	0	112.6	W180 V183 V189 C193 M194	W180-M191 HydrophobicContact CE3-CB 4.14Å; W180-M191 HydrophobicContact CE3-CE 4.43Å; W180-M191 HydrophobicContact CZ3-CE 3.89Å; W180-M191 HydrophobicContact CZ3-SD 4.44Å; W180-M191 CarbonylContact O-C 3.59Å; V183-M191 HydrophobicContact CB-CB 4.2Å; V183-M191 HydrophobicContact CB-CG 4.4Å; V183-M191 HydrophobicContact CG1-CB 4.21Å; V183-M191 HydrophobicContact CG1-CG 3.86Å; V183-M191 HydrophobicContact CG1-SD 3.79Å; V183-M191 HydrophobicContact CG2-CB 4.36Å; V189-M191 HydrophobicContact CG1-CG 3.95Å; V189-M191 PolarHBondContact O-N 3.18Å; V189-M191 VanDerWaalsContact O-N 3.14Å; M191-C193 PolarHBondContact O-N 3.46Å; M191-M194 HydrophobicContact CB-CG 4.32Å; M191-M194 HydrophobicContact CE-CG 4.08Å; M191-M194 VanDerWaalsContact O-CB 3.25Å; M191-M194 WeakPolarHBondContact O-CB 3.31Å; M191-M194 WeakPolarHBondContact O-CG 3.27Å; M191-M194 PolarHBondContact O-N 3.4Å
192	S	92.2	Very high	88.2	Confident	39 Å²	39	77.1 Å²	77.1	27%	0.273	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-56.7	-27.7	-177.7	57.9	0	0	0	0	113.5	W180 D190 M194 S195	W180-S192 PolarHBondContact O-N 3.14Å; D190-S192 VanDerWaalsContact OD1-CB 3.29Å; D190-S192 WeakPolarHBondContact OD1-CB 3.37Å; D190-S192 PolarHBondContact OD1-N 2.62Å; D190-S192 PolarHBondContact OD1-OG 3.04Å; S192-M194 PolarHBondContact O-N 2.9Å; S192-M194 VanDerWaalsContact O-N 3.16Å; S192-S195 WeakPolarHBondContact O-CB 3.33Å; S192-S195 PolarHBondContact O-N 3.27Å; S192-S195 VanDerWaalsContact O-N 3.11Å
193	C	91.1	Very high	86.9	Confident	95 Å²	95	78.5 Å²	78.5	64%	0.642	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-59	-24.8	174.7	67.6	0	0	0	0	113.8	M191 S195	M191-C193 PolarHBondContact O-N 3.46Å; C193-S195 VanDerWaalsContact C-N 3.26Å; C193-S195 PolarHBondContact O-N 3.36Å
194	M	91.1	Very high	85.8	Confident	53 Å²	53	80.6 Å²	80.6	26%	0.261	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-69	-21.8	178	-68.8	-64.4	-69.3	0	0	113	W180 M191 S192 N196 F197 A198	W180-M194 HydrophobicContact CB-CB 4.22Å; W180-M194 HydrophobicContact CD2-CB 3.34Å; W180-M194 HydrophobicContact CD2-CG 4.2Å; W180-M194 HydrophobicContact CE3-CB 3.39Å; W180-M194 HydrophobicContact CE3-CG 3.73Å; W180-M194 HydrophobicContact CG-CB 3.72Å; W180-M194 HydrophobicContact CH2-CB 4.38Å; W180-M194 HydrophobicContact CH2-CE 3.9Å; W180-M194 HydrophobicContact CH2-CG 4.48Å; W180-M194 HydrophobicContact CZ2-CB 4.36Å; W180-M194 HydrophobicContact CZ2-CE 4.27Å; W180-M194 HydrophobicContact CZ3-CB 3.94Å; W180-M194 HydrophobicContact CZ3-CE 4.18Å; W180-M194 HydrophobicContact CZ3-CG 3.89Å; M191-M194 HydrophobicContact CB-CG 4.32Å; M191-M194 HydrophobicContact CE-CG 4.08Å; M191-M194 VanDerWaalsContact O-CB 3.25Å; M191-M194 WeakPolarHBondContact O-CB 3.31Å; M191-M194 WeakPolarHBondContact O-CG 3.27Å; M191-M194 PolarHBondContact O-N 3.4Å; S192-M194 PolarHBondContact O-N 2.9Å; S192-M194 VanDerWaalsContact O-N 3.16Å; M194-N196 PolarHBondContact O-N 2.98Å; M194-F197 HydrophobicContact CE-CD1 3.8Å; M194-F197 HydrophobicContact CE-CE1 4.41Å; M194-F197 CarbonylContact O-C 3.53Å; M194-F197 WeakPolarHBondContact O-CA 3.46Å; M194-F197 WeakPolarHBondContact O-CB 3.46Å; M194-F197 PolarHBondContact O-N 2.99Å; M194-A198 WeakPolarHBondContact O-CB 3.44Å; M194-A198 PolarHBondContact O-N 3.09Å
195	S	84.8	Confident	85.3	Confident	3 Å²	3	78 Å²	78	2%	0.021	41%	0.405	C	S	.	.	H	α-helix	trans	-56.4	-38.8	-180	-166.1	0	0	0	0	111.8	L177 S192 C193 F197 R199	L177-S195 WeakPolarHBondContact CD2-O 3.02Å; L177-S195 PolarHBondContact O-OG 3.43Å; S192-S195 WeakPolarHBondContact O-CB 3.33Å; S192-S195 PolarHBondContact O-N 3.27Å; S192-S195 VanDerWaalsContact O-N 3.11Å; C193-S195 VanDerWaalsContact C-N 3.26Å; C193-S195 PolarHBondContact O-N 3.36Å; S195-F197 PolarHBondContact O-N 3.34Å; S195-R199 VanDerWaalsContact O-CB 3.26Å; S195-R199 WeakPolarHBondContact O-CB 2.99Å; S195-R199 PolarHBondContact O-N 3.06Å
196	N	81.1	Confident	85	Confident	104 Å²	104	71.5 Å²	71.5	56%	0.556	38%	0.376	S	S	*	.	H	α-helix	trans	-69.9	-30.2	176	-73.7	-30.6	0	0	0	113.7	M194 R200	M194-N196 PolarHBondContact O-N 2.98Å; N196-R200 PolarHBondContact O-NE 3.09Å
197	F	80.1	Confident	84.9	Confident	106 Å²	106	66.6 Å²	66.6	47%	0.465	35%	0.353	S	S	.	.	H	α-helix	trans	-75.4	-50.1	174.7	176.4	-104.4	0	0	0	110.4	M194 S195 R199 R200 C201	M194-F197 HydrophobicContact CE-CD1 3.8Å; M194-F197 HydrophobicContact CE-CE1 4.41Å; M194-F197 CarbonylContact O-C 3.53Å; M194-F197 WeakPolarHBondContact O-CA 3.46Å; M194-F197 WeakPolarHBondContact O-CB 3.46Å; M194-F197 PolarHBondContact O-N 2.99Å; S195-F197 PolarHBondContact O-N 3.34Å; F197-R199 VanDerWaalsContact C-N 3.26Å; F197-R199 PolarHBondContact O-N 3.12Å; F197-R200 WeakPolarHBondContact O-CA 3.45Å; F197-R200 WeakPolarHBondContact O-CB 3.14Å; F197-R200 PolarHBondContact O-N 3.25Å; F197-C201 VanDerWaalsContact CZ-SG 3.57Å; F197-C201 PolarHBondContact O-N 3.13Å; F197-C201 PolarHBondContact O-SG 3.12Å
198	A	80.5	Confident	84.6	Confident	11 Å²	11	61.1 Å²	61.1	9%	0.091	34%	0.335	C	S	.	.	H	α-helix	trans	-55.7	-41.3	175.9	0	0	0	0	0	112	L177 W180 M194 R200 C201 I202	L177-A198 HydrophobicContact CD2-CB 3.98Å; W180-A198 VanDerWaalsContact NE1-CB 3.28Å; M194-A198 WeakPolarHBondContact O-CB 3.44Å; M194-A198 PolarHBondContact O-N 3.09Å; A198-R200 VanDerWaalsContact C-N 3.29Å; A198-R200 PolarHBondContact O-N 2.8Å; A198-C201 PolarHBondContact O-N 3.22Å; A198-C201 VanDerWaalsContact O-N 3.13Å; A198-I202 VanDerWaalsContact O-CG1 3.28Å; A198-I202 WeakPolarHBondContact O-CG1 3.11Å; A198-I202 PolarHBondContact O-N 3.49Å
199	R	77.8	Confident	84.4	Confident	89 Å²	89	60.1 Å²	60.1	34%	0.336	32%	0.315	S	S	.	.	H	α-helix	trans	-58	-40.5	174.6	-171.2	-179.7	-66.6	-85.4	10.6	112.4	L177 S195 F197 K203	L177-R199 HydrophobicContact CD1-CB 4.44Å; L177-R199 HydrophobicContact CD1-CG 4.4Å; L177-R199 VanDerWaalsContact CD1-CZ 3.47Å; L177-R199 HydrophobicContact CD2-CB 3.68Å; L177-R199 HydrophobicContact CD2-CG 4.48Å; S195-R199 VanDerWaalsContact O-CB 3.26Å; S195-R199 WeakPolarHBondContact O-CB 2.99Å; S195-R199 PolarHBondContact O-N 3.06Å; F197-R199 VanDerWaalsContact C-N 3.26Å; F197-R199 PolarHBondContact O-N 3.12Å; R199-K203 HydrophobicContact CG-CD 3.78Å; R199-K203 VanDerWaalsContact CG-CE 3.43Å; R199-K203 HydrophobicContact CG-CG 4.38Å; R199-K203 WeakPolarHBondContact O-CB 3.32Å; R199-K203 WeakPolarHBondContact O-CG 3.49Å; R199-K203 PolarHBondContact O-N 3.25Å
200	R	75.6	Confident	84.1	Confident	172 Å²	172	57.5 Å²	57.5	65%	0.649	30%	0.301	S	S	*	.	H	α-helix	trans	-70.5	-35.6	176.8	-75.2	178.3	-80.2	166.4	-4.7	112.2	N196 F197 A198	N196-R200 PolarHBondContact O-NE 3.09Å; F197-R200 WeakPolarHBondContact O-CA 3.45Å; F197-R200 WeakPolarHBondContact O-CB 3.14Å; F197-R200 PolarHBondContact O-N 3.25Å; A198-R200 VanDerWaalsContact C-N 3.29Å; A198-R200 PolarHBondContact O-N 2.8Å
201	C	73.5	Confident	84	Confident	57 Å²	57	57.2 Å²	57.2	39%	0.385	30%	0.299	S	S	.	.	H	α-helix	trans	-69.3	-35.3	175.6	-62.9	0	0	0	0	112.8	F197 A198 N204	F197-C201 VanDerWaalsContact CZ-SG 3.57Å; F197-C201 PolarHBondContact O-N 3.13Å; F197-C201 PolarHBondContact O-SG 3.12Å; A198-C201 PolarHBondContact O-N 3.22Å; A198-C201 VanDerWaalsContact O-N 3.13Å; C201-N204 PolarHBondContact O-ND2 3.5Å; C201-N204 PolarHBondContact O-OD1 3.43Å
202	I	70.3	Confident	83.9	Confident	7 Å²	7	54.6 Å²	54.6	4%	0.036	29%	0.287	C	S	.	.	H	α-helix	trans	-77.4	-33.9	177.7	-64.3	164.4	0	0	0	111.4	V173 R176 L177 A198 N204 Y293	V173-I202 HydrophobicContact CG1-CG2 4.21Å; V173-I202 HydrophobicContact CG2-CG2 4.07Å; R176-I202 HydrophobicContact CB-CD1 3.95Å; L177-I202 HydrophobicContact CD2-CD1 4.19Å; L177-I202 HydrophobicContact CG-CD1 4.34Å; A198-I202 VanDerWaalsContact O-CG1 3.28Å; A198-I202 WeakPolarHBondContact O-CG1 3.11Å; A198-I202 PolarHBondContact O-N 3.49Å; I202-N204 PolarHBondContact O-N 3.05Å; I202-Y293 HydrophobicContact CG2-CD2 4.18Å; I202-Y293 HydrophobicContact CG2-CE2 4.19Å
203	K	66.3	Low	84	Confident	51 Å²	51	54.4 Å²	54.4	22%	0.222	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	12.1	-179.8	-70.5	179	176.7	-168.7	0	114.1	R199 D295 K338	R199-K203 HydrophobicContact CG-CD 3.78Å; R199-K203 VanDerWaalsContact CG-CE 3.43Å; R199-K203 HydrophobicContact CG-CG 4.38Å; R199-K203 WeakPolarHBondContact O-CB 3.32Å; R199-K203 WeakPolarHBondContact O-CG 3.49Å; R199-K203 PolarHBondContact O-N 3.25Å; K203-D295 VanDerWaalsContact CD-O 3.25Å; K203-D295 WeakPolarHBondContact CD-O 3.46Å; K203-D295 WeakPolarHBondContact CE-O 3.48Å; K203-D295 PolarHBondContact NZ-O 3.31Å; K203-K338 PolarHBondContact O-NZ 3.35Å
204	N	72.6	Confident	84.2	Confident	54 Å²	54	55.6 Å²	55.6	29%	0.289	29%	0.285	S	S	.	.	S	Bend	trans	-62.3	162.5	173.6	60.8	-1.9	0	0	0	110.3	C201 I202 D206	C201-N204 PolarHBondContact O-ND2 3.5Å; C201-N204 PolarHBondContact O-OD1 3.43Å; I202-N204 PolarHBondContact O-N 3.05Å; N204-D206 PolarHBondContact ND2-OD1 2.89Å; N204-D206 PolarHBondContact ND2-OD2 3.2Å; N204-D206 PolarHBondContact O-N 2.63Å; N204-D206 WeakPolarHBondContact OD1-CB 3.14Å
205	S	84.1	Confident	84.4	Confident	56 Å²	56	60 Å²	60	39%	0.392	31%	0.305	S	S	.	.	S	Bend	trans	-75.8	35.8	176.1	-82.1	0	0	0	0	111.5	T339 F340 S341	S205-T339 WeakPolarHBondContact CB-O 3.23Å; S205-T339 PolarHBondContact OG-O 3.09Å; S205-F340 CarbonylContact O-C 3.58Å; S205-F340 WeakPolarHBondContact O-CA 3.29Å; S205-S341 PolarHBondContact O-N 2.71Å
206	D	89.3	Confident	84.9	Confident	36 Å²	36	61.2 Å²	61.2	19%	0.193	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-91	142.1	-179	-69.9	7.4	0	0	0	110	N204 I208 S341 P343	N204-D206 PolarHBondContact ND2-OD1 2.89Å; N204-D206 PolarHBondContact ND2-OD2 3.2Å; N204-D206 PolarHBondContact O-N 2.63Å; N204-D206 WeakPolarHBondContact OD1-CB 3.14Å; D206-I208 HydrophobicContact CB-CD1 3.98Å; D206-S341 CarbonylContact C-O 3.32Å; D206-S341 VanDerWaalsContact CA-O 3.25Å; D206-S341 WeakPolarHBondContact CA-O 3.35Å; D206-P343 HydrophobicContact CB-CG 4.19Å; D206-P343 WeakPolarHBondContact OD2-CB 3.39Å
207	I	91.5	Very high	85.7	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.021	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-80.3	117.2	164.9	-61.5	171.3	0	0	0	106.8	A290 L292 I322 I324 F340 S341 I342	I207-A290 HydrophobicContact CG2-CB 3.71Å; I207-L292 HydrophobicContact CB-CD2 4.46Å; I207-L292 HydrophobicContact CG1-CD2 3.88Å; I207-L292 HydrophobicContact CG2-CD2 4.31Å; I207-I322 HydrophobicContact CD1-CG2 4.42Å; I207-I324 HydrophobicContact CD1-CB 4.29Å; I207-I324 HydrophobicContact CD1-CD1 3.8Å; I207-I324 HydrophobicContact CD1-CG1 3.74Å; I207-F340 HydrophobicContact CD1-CB 4.27Å; I207-F340 HydrophobicContact CG1-CB 3.56Å; I207-S341 PolarHBondContact N-O 2.83Å; I207-I342 HydrophobicContact CB-CG1 3.82Å; I207-I342 HydrophobicContact CD1-CG1 4.06Å; I207-I342 HydrophobicContact CG1-CG1 4.45Å; I207-I342 HydrophobicContact CG2-CG1 4.14Å
208	I	90.1	Very high	86.5	Confident	51 Å²	51	52.5 Å²	52.5	26%	0.262	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	124.5	178.1	-56.1	-55.8	0	0	0	108.9	D206 V291 Y293	D206-I208 HydrophobicContact CB-CD1 3.98Å; I208-V291 HydrophobicContact CB-CB 4.38Å; I208-V291 PolarHBondContact N-O 3.15Å; I208-V291 VanDerWaalsContact N-O 3.11Å; I208-V291 PolarHBondContact O-N 3.33Å; I208-Y293 HydrophobicContact CB-CE2 4.28Å; I208-Y293 HydrophobicContact CG1-CD2 4.12Å; I208-Y293 HydrophobicContact CG1-CE2 3.88Å
209	V	91.6	Very high	87.3	Confident	45 Å²	45	52 Å²	52	27%	0.273	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	109	174.8	-179.6	0	0	0	0	108.6	Y131 K288 Q289	Y131-V209 HydrophobicContact CD1-CB 4.4Å; Y131-V209 HydrophobicContact CD1-CG1 3.63Å; Y131-V209 HydrophobicContact CD1-CG2 3.91Å; Y131-V209 HydrophobicContact CD2-CG2 4.14Å; Y131-V209 HydrophobicContact CE1-CG1 3.62Å; Y131-V209 HydrophobicContact CE1-CG2 4.41Å; Y131-V209 HydrophobicContact CG-CG1 4.35Å; Y131-V209 HydrophobicContact CG-CG2 3.76Å; V209-K288 HydrophobicContact CG1-CB 4.08Å; V209-K288 HydrophobicContact CG1-CD 4.37Å; V209-K288 HydrophobicContact CG1-CG 4.43Å; V209-Q289 WeakPolarHBondContact CA-O 3.26Å
210	S	91.4	Very high	88.3	Confident	28 Å²	28	54.6 Å²	54.6	20%	0.196	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	159.9	-177.7	58.7	0	0	0	0	111.6	K288 Q289 V291	S210-K288 WeakPolarHBondContact O-CB 3.27Å; S210-Q289 PolarHBondContact N-O 2.8Å; S210-Q289 VanDerWaalsContact N-O 3.09Å; S210-Q289 PolarHBondContact O-N 2.79Å; S210-Q289 VanDerWaalsContact O-N 3.07Å; S210-Q289 PolarHBondContact O-OE1 2.74Å; S210-V291 VanDerWaalsContact OG-CG2 3.3Å; S210-V291 WeakPolarHBondContact OG-CG2 3.42Å
211	N	92.6	Very high	89.3	Confident	74 Å²	74	48.3 Å²	48.3	40%	0.396	26%	0.263	S	S	.	.			trans	-74.6	132.9	171.2	-68.7	-38.3	0	0	0	109.1	E284 K288	N211-E284 VanDerWaalsContact CG-CD 3.49Å; N211-E284 PolarHBondContact ND2-OE1 2.8Å; N211-E284 PolarHBondContact ND2-OE2 2.9Å; N211-E284 PolarHBondContact OD1-OE1 3Å; N211-K288 WeakPolarHBondContact OD1-CB 3.38Å; N211-K288 WeakPolarHBondContact OD1-CD 3.26Å; N211-K288 WeakPolarHBondContact OD1-CG 3.39Å
212	V	94.4	Very high	90.5	Very high	12 Å²	12	46.1 Å²	46.1	7%	0.073	25%	0.249	C	C	.	.			trans	-107.8	126.5	172.5	175.2	0	0	0	0	107.2	I168 D216 V217 C258 P280 Q289 V291	I168-V212 HydrophobicContact CD1-CG1 4.23Å; I168-V212 HydrophobicContact CD1-CG2 3.96Å; I168-V212 HydrophobicContact CG2-CG1 4.02Å; V212-D216 HydrophobicContact CG1-CB 4.1Å; V212-V217 HydrophobicContact CG1-CG2 4.14Å; V212-C258 HydrophobicContact CG2-CB 4.41Å; V212-P280 HydrophobicContact CB-CB 4.1Å; V212-P280 HydrophobicContact CG1-CB 4.16Å; V212-P280 WeakPolarHBondContact O-CB 3.34Å; V212-Q289 HydrophobicContact CG2-CB 4.11Å; V212-V291 HydrophobicContact CG2-CG2 3.7Å
213	A	94.4	Very high	91.8	Very high	34 Å²	34	51.6 Å²	51.6	28%	0.281	27%	0.269	S	S	.	.			trans	-75.4	152.8	177.2	0	0	0	0	0	110.2	E215 D216	A213-E215 VanDerWaalsContact CB-CD 3.42Å; A213-E215 HydrophobicContact CB-CG 3.92Å; A213-E215 WeakPolarHBondContact CB-OE2 3.1Å; A213-E215 PolarHBondContact O-N 3.16Å; A213-D216 VanDerWaalsContact CB-OD2 3.31Å; A213-D216 WeakPolarHBondContact CB-OD2 3.48Å; A213-D216 PolarHBondContact N-OD2 3.44Å; A213-D216 WeakPolarHBondContact O-CB 3.16Å; A213-D216 PolarHBondContact O-N 2.91Å
214	M	95.3	Very high	93.3	Very high	120 Å²	120	49.8 Å²	49.8	59%	0.591	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-62.2	-30.4	-179.3	58.8	171.4	-82.5	0	0	112.4	D216 V217 F281	M214-D216 VanDerWaalsContact C-N 3.29Å; M214-D216 PolarHBondContact O-N 3.34Å; M214-V217 PolarHBondContact O-N 2.84Å; M214-F281 HydrophobicContact CB-CD1 3.99Å; M214-F281 HydrophobicContact CB-CE1 4.23Å
215	E	94.9	Very high	94.6	Very high	146 Å²	146	47.7 Å²	47.7	68%	0.682	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-69.6	-22	175.5	56.8	-96.1	-135.1	0	0	114	A213 V217	A213-E215 VanDerWaalsContact CB-CD 3.42Å; A213-E215 HydrophobicContact CB-CG 3.92Å; A213-E215 WeakPolarHBondContact CB-OE2 3.1Å; A213-E215 PolarHBondContact O-N 3.16Å; E215-V217 VanDerWaalsContact C-N 3.29Å
216	D	95.4	Very high	95.2	Very high	28 Å²	28	48.9 Å²	48.9	15%	0.15	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-82	-12.7	179.4	-59.9	-32.6	0	0	0	111.8	I168 S169 P171 V212 A213 M214	I168-D216 CarbonylContact C-O 3.57Å; I168-D216 WeakPolarHBondContact CA-O 3.24Å; I168-D216 WeakPolarHBondContact CB-O 3.49Å; S169-D216 PolarHBondContact N-O 2.92Å; S169-D216 WeakPolarHBondContact O-CB 3.4Å; P171-D216 WeakPolarHBondContact CD-OD1 3.49Å; V212-D216 HydrophobicContact CG1-CB 4.1Å; A213-D216 VanDerWaalsContact CB-OD2 3.31Å; A213-D216 WeakPolarHBondContact CB-OD2 3.48Å; A213-D216 PolarHBondContact N-OD2 3.44Å; A213-D216 WeakPolarHBondContact O-CB 3.16Å; A213-D216 PolarHBondContact O-N 2.91Å; M214-D216 VanDerWaalsContact C-N 3.29Å; M214-D216 PolarHBondContact O-N 3.34Å
217	V	97.5	Very high	95.6	Very high	8 Å²	8	47.7 Å²	47.7	5%	0.048	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-80.8	122.8	-179	-177.2	0	0	0	0	110.9	T166 I168 V212 M214 E215 S219 P280 F281	T166-V217 HydrophobicContact CG2-CG1 3.77Å; T166-V217 WeakPolarHBondContact OG1-CG1 3.27Å; I168-V217 HydrophobicContact CG2-CG2 4.49Å; V212-V217 HydrophobicContact CG1-CG2 4.14Å; M214-V217 PolarHBondContact O-N 2.84Å; E215-V217 VanDerWaalsContact C-N 3.29Å; V217-S219 WeakPolarHBondContact CG1-O 3.32Å; V217-P280 HydrophobicContact CG2-CB 4.12Å; V217-P280 HydrophobicContact CG2-CG 3.59Å; V217-F281 HydrophobicContact CB-CE1 4.44Å; V217-F281 HydrophobicContact CB-CE2 4.26Å; V217-F281 HydrophobicContact CB-CZ 3.71Å; V217-F281 HydrophobicContact CG1-CE2 3.83Å; V217-F281 HydrophobicContact CG1-CZ 3.55Å; V217-F281 HydrophobicContact CG2-CE2 4.24Å; V217-F281 HydrophobicContact CG2-CZ 4.04Å
218	L	97.8	Very high	96	Very high	20 Å²	20	50.8 Å²	50.8	11%	0.105	26%	0.261	C	S	.	.			trans	-100.2	-4.6	-168.9	-60.2	178	0	0	0	114.7	P167 S248 F249 A252 V254	P167-L218 HydrophobicContact CG-CB 4.32Å; P167-L218 WeakPolarHBondContact O-CB 3.29Å; P167-L218 PolarHBondContact O-N 2.8Å; L218-S248 CarbonylContact O-C 3.59Å; L218-S248 VanDerWaalsContact O-CA 3.23Å; L218-S248 WeakPolarHBondContact O-CA 3.2Å; L218-F249 VanDerWaalsContact C-CD2 3.44Å; L218-F249 WeakPolarHBondContact O-CD2 3.44Å; L218-F249 PolarHBondContact O-N 2.96Å; L218-A252 HydrophobicContact CD1-CB 4.03Å; L218-A252 HydrophobicContact CD2-CB 3.58Å; L218-A252 HydrophobicContact CG-CB 4.45Å; L218-V254 HydrophobicContact CD1-CB 4.23Å; L218-V254 HydrophobicContact CD1-CG2 3.58Å
219	S	98	Very high	96.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-151.8	172.1	178.2	76.8	0	0	0	0	113	T166 P167 V217 C246 E247 F249	T166-S219 PolarHBondContact OG1-O 2.88Å; T166-S219 PolarHBondContact OG1-OG 3.3Å; T166-S219 VanDerWaalsContact OG1-OG 3.13Å; P167-S219 VanDerWaalsContact CD-OG 3.23Å; P167-S219 WeakPolarHBondContact CD-OG 3.36Å; V217-S219 WeakPolarHBondContact CG1-O 3.32Å; S219-C246 WeakPolarHBondContact OG-CB 3.25Å; S219-C246 PolarHBondContact OG-SG 2.94Å; S219-E247 WeakPolarHBondContact CB-O 3.41Å; S219-F249 VanDerWaalsContact CA-CE2 3.47Å; S219-F249 WeakPolarHBondContact O-CE2 3.45Å; S219-F249 WeakPolarHBondContact O-CZ 3.46Å
220	H	97.5	Very high	96.6	Very high	143 Å²	143	50.6 Å²	50.6	66%	0.662	26%	0.256	S	S	*	.	P	Polyproline II helix	trans	-63	131	163.9	-72.1	-55.4	0	0	0	110	A222 C246 F249	H220-A222 PolarHBondContact O-N 3.17Å; H220-C246 WeakPolarHBondContact O-CB 3.48Å; H220-F249 HydrophobicContact CB-CZ 4.5Å; H220-F249 AromaticContact CD2-CE1 3.69Å; H220-F249 AromaticContact CE1-CE1 3.78Å; H220-F249 AromaticContact CE1-CZ 3.92Å; H220-F249 AromaticContact CG-CE1 3.86Å; H220-F249 AromaticContact CG-CZ 3.92Å; H220-F249 AromaticContact ND1-CE1 3.91Å; H220-F249 AromaticContact ND1-CZ 3.73Å; H220-F249 AromaticContact NE2-CE1 3.67Å
221	P	96.4	Very high	96.9	Very high	41 Å²	41	53 Å²	53	27%	0.266	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-62	136.6	180	-23.5	33.6	0	0	0	112.6	Y164 Y260 F281	Y164-P221 HydrophobicContact CD1-CB 4.27Å; P221-Y260 HydrophobicContact CB-CE1 4.17Å; P221-Y260 WeakPolarHBondContact CB-OH 3.37Å; P221-Y260 HydrophobicContact CG-CE1 4.36Å; P221-Y260 WeakPolarHBondContact CG-OH 3.32Å; P221-F281 HydrophobicContact CG-CD2 4.4Å; P221-F281 HydrophobicContact CG-CE2 3.83Å
222	A	98.3	Very high	97.1	Very high	11 Å²	11	49.9 Å²	49.9	9%	0.091	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	121.6	177.1	0	0	0	0	0	110.2	Y164 I165 H220 F224 F244	Y164-A222 CarbonylContact C-O 3.52Å; Y164-A222 WeakPolarHBondContact CA-O 3.36Å; I165-A222 HydrophobicContact CG2-CB 4.38Å; I165-A222 PolarHBondContact N-O 2.94Å; I165-A222 PolarHBondContact O-N 3.27Å; H220-A222 PolarHBondContact O-N 3.17Å; A222-F224 PolarHBondContact O-N 2.95Å; A222-F244 HydrophobicContact CB-CB 3.73Å
223	R	98.6	Very high	97.3	Very high	121 Å²	121	51.9 Å²	51.9	46%	0.457	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	121.3	172	-171.9	-176.3	65	168.4	8.7	109.3	E162 L163 Y164 E226	E162-R223 HydrophobicContact CB-CG 4.42Å; E162-R223 WeakPolarHBondContact OE1-CD 3.4Å; E162-R223 IonicContact OE1-CZ 2.79Å; E162-R223 IonicContact OE1-NE 3.2Å; E162-R223 IonicContact OE1-NH1 3.66Å; E162-R223 PolarHBondContact OE1-NH1 3.44Å; L163-R223 WeakPolarHBondContact O-CA 3.28Å; Y164-R223 HydrophobicContact CD1-CB 3.81Å; Y164-R223 HydrophobicContact CD1-CG 4.38Å; Y164-R223 HydrophobicContact CE1-CB 3.59Å; Y164-R223 HydrophobicContact CE1-CG 4.01Å; R223-E226 IonicContact CZ-OE2 3.79Å; R223-E226 IonicContact NH1-OE2 2.74Å; R223-E226 PolarHBondContact NH1-OE2 2.92Å; R223-E226 IonicContact NH2-OE2 2.69Å
224	F	98.3	Very high	97.2	Very high	13 Å²	13	52.3 Å²	52.3	6%	0.057	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	-20.4	179.5	70.5	-96	0	0	0	113.4	L163 I165 A222 G242 V259 V310 M312	L163-F224 HydrophobicContact CB-CD1 4.2Å; L163-F224 HydrophobicContact CB-CD2 4.42Å; L163-F224 HydrophobicContact CB-CE1 3.61Å; L163-F224 HydrophobicContact CB-CE2 3.85Å; L163-F224 HydrophobicContact CB-CZ 3.42Å; L163-F224 VanDerWaalsContact CB-CZ 3.42Å; L163-F224 HydrophobicContact CD1-CE2 4.04Å; L163-F224 HydrophobicContact CD1-CZ 4.02Å; L163-F224 HydrophobicContact CD2-CZ 4.25Å; L163-F224 HydrophobicContact CG-CZ 4.11Å; L163-F224 PolarHBondContact O-N 2.81Å; I165-F224 HydrophobicContact CB-CD1 4.02Å; I165-F224 HydrophobicContact CB-CE1 4.23Å; I165-F224 HydrophobicContact CG2-CD1 3.93Å; A222-F224 PolarHBondContact O-N 2.95Å; F224-G242 VanDerWaalsContact O-CA 3.31Å; F224-G242 WeakPolarHBondContact O-CA 3.47Å; F224-V259 HydrophobicContact CE1-CG1 4.2Å; F224-V259 HydrophobicContact CZ-CG1 4.33Å; F224-V310 HydrophobicContact CD1-CB 4.39Å; F224-V310 HydrophobicContact CD1-CG2 4.31Å; F224-V310 HydrophobicContact CD2-CB 3.83Å; F224-V310 HydrophobicContact CD2-CG1 4.11Å; F224-V310 HydrophobicContact CE1-CB 4.48Å; F224-V310 HydrophobicContact CE1-CG1 4.2Å; F224-V310 HydrophobicContact CE2-CB 3.96Å; F224-V310 HydrophobicContact CE2-CG1 3.69Å; F224-V310 HydrophobicContact CG-CB 4.05Å; F224-V310 HydrophobicContact CG-CG2 4.29Å; F224-V310 HydrophobicContact CZ-CB 4.27Å; F224-V310 HydrophobicContact CZ-CG1 3.72Å; F224-M312 HydrophobicContact CE2-CG 4.35Å; F224-M312 HydrophobicContact CE2-SD 4.11Å; F224-M312 HydrophobicContact CZ-CG 4.45Å; F224-M312 HydrophobicContact CZ-SD 3.82Å
225	A	98.3	Very high	97.2	Very high	11 Å²	11	52.4 Å²	52.4	9%	0.091	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	152.2	176.3	0	0	0	0	0	112.7	E162 L163 V240	E162-A225 WeakPolarHBondContact CA-O 3.19Å; L163-A225 HydrophobicContact CB-CB 4.26Å; L163-A225 HydrophobicContact CD1-CB 4.17Å; L163-A225 PolarHBondContact N-O 2.94Å; A225-V240 HydrophobicContact CB-CG1 3.52Å
226	E	98.1	Very high	97.2	Very high	81 Å²	81	50.5 Å²	50.5	38%	0.379	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	132.1	172.9	179.8	177.4	144.5	0	0	108	R160 A161 E162 R223	R160-E226 WeakPolarHBondContact CD-OE1 3.31Å; R160-E226 HydrophobicContact CG-CG 4.1Å; R160-E226 IonicContact CZ-OE1 2.88Å; R160-E226 VanDerWaalsContact CZ-OE1 3.3Å; R160-E226 IonicContact CZ-OE2 2.74Å; R160-E226 IonicContact NE-OE1 2.64Å; R160-E226 PolarHBondContact NE-OE1 3.04Å; R160-E226 IonicContact NE-OE2 3.76Å; R160-E226 IonicContact NH1-OE1 2.86Å; R160-E226 PolarHBondContact NH1-OE1 3.01Å; R160-E226 IonicContact NH1-OE2 2.63Å; R160-E226 PolarHBondContact NH1-OE2 2.89Å; R160-E226 IonicContact NH2-OE2 3.9Å; A161-E226 CarbonylContact O-C 3.6Å; A161-E226 WeakPolarHBondContact O-CA 3.2Å; E162-E226 HydrophobicContact CG-CB 4.4Å; E162-E226 HydrophobicContact CG-CG 4.16Å; R223-E226 IonicContact CZ-OE2 3.79Å; R223-E226 IonicContact NH1-OE2 2.74Å; R223-E226 PolarHBondContact NH1-OE2 2.92Å; R223-E226 IonicContact NH2-OE2 2.69Å
227	L	98.3	Very high	97	Very high	11 Å²	11	49.7 Å²	49.7	6%	0.058	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	113.1	178.1	-51.1	178.6	0	0	0	108.2	L133 L134 L139 R160 A161 L229 V232 L237 V240	L133-L227 HydrophobicContact CD2-CD1 3.99Å; L134-L227 HydrophobicContact CD2-CD1 4.15Å; L139-L227 HydrophobicContact CD2-CD1 4.14Å; R160-L227 CarbonylContact C-O 3.28Å; R160-L227 VanDerWaalsContact CA-O 3.29Å; R160-L227 WeakPolarHBondContact CA-O 3.41Å; A161-L227 HydrophobicContact CB-CB 4.34Å; A161-L227 PolarHBondContact N-O 2.79Å; A161-L227 PolarHBondContact O-N 2.84Å; L227-L229 HydrophobicContact CB-CD1 4.47Å; L227-V232 HydrophobicContact CD2-CG2 4.29Å; L227-L237 HydrophobicContact CD1-CD2 3.93Å; L227-L237 HydrophobicContact CD2-CD2 4.24Å; L227-V240 HydrophobicContact CD2-CG1 4.33Å; L227-V240 HydrophobicContact CD2-CG2 4.16Å
228	D	98	Very high	96.8	Very high	69 Å²	69	56.3 Å²	56.3	37%	0.369	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	112.4	168.7	-177.1	-14.5	0	0	0	108.9	H230 S231 V232	D228-H230 PolarHBondContact O-N 2.89Å; D228-H230 VanDerWaalsContact O-N 3.16Å; D228-H230 WeakPolarHBondContact OD1-CB 3.15Å; D228-H230 IonicContact OD1-CD2 3.96Å; D228-H230 IonicContact OD1-CG 2.88Å; D228-H230 PolarHBondContact OD1-N 3.14Å; D228-S231 PolarHBondContact O-N 2.75Å; D228-S231 VanDerWaalsContact O-N 3.1Å; D228-V232 VanDerWaalsContact O-CB 3.32Å; D228-V232 WeakPolarHBondContact O-CB 3.47Å; D228-V232 VanDerWaalsContact O-CG1 3.27Å; D228-V232 WeakPolarHBondContact O-CG1 3.49Å; D228-V232 PolarHBondContact O-N 2.78Å
229	L	98.1	Very high	96.5	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.01	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-13.2	-175.5	-84.2	65	0	0	0	112.5	W128 L139 R146 I156 P158 S159 L227	W128-L229 HydrophobicContact CZ2-CD1 4.11Å; W128-L229 HydrophobicContact CZ2-CD2 3.78Å; W128-L229 HydrophobicContact CZ2-CG 4.45Å; L139-L229 HydrophobicContact CD1-CD2 4.09Å; L139-L229 HydrophobicContact CD1-CG 4.14Å; R146-L229 WeakPolarHBondContact CD-O 3.46Å; R146-L229 PolarHBondContact NH1-O 3.09Å; I156-L229 HydrophobicContact CD1-CB 4.39Å; I156-L229 HydrophobicContact CG2-CB 4.33Å; I156-L229 HydrophobicContact CG2-CD2 4.24Å; P158-L229 WeakPolarHBondContact O-CD2 3.43Å; S159-L229 WeakPolarHBondContact O-CB 3.42Å; S159-L229 PolarHBondContact O-N 2.97Å; L227-L229 HydrophobicContact CB-CD1 4.47Å
230	H	97.4	Very high	96.4	Very high	90 Å²	90	60.3 Å²	60.3	42%	0.417	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-23.3	173.1	-69.9	-78.9	0	0	0	113.5	G154 D228	G154-H230 PolarHBondContact O-CE1 2.52Å; D228-H230 PolarHBondContact O-N 2.89Å; D228-H230 VanDerWaalsContact O-N 3.16Å; D228-H230 WeakPolarHBondContact OD1-CB 3.15Å; D228-H230 IonicContact OD1-CD2 3.96Å; D228-H230 IonicContact OD1-CG 2.88Å; D228-H230 PolarHBondContact OD1-N 3.14Å
231	S	97.2	Very high	96.4	Very high	78 Å²	78	59.7 Å²	59.7	55%	0.545	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.3	-25.8	-172.3	63.5	0	0	0	0	115.2	D228	D228-S231 PolarHBondContact O-N 2.75Å; D228-S231 VanDerWaalsContact O-N 3.1Å
232	V	97.6	Very high	96.5	Very high	9 Å²	9	58.3 Å²	58.3	6%	0.055	29%	0.291	C	S	.	.			trans	-59.5	141.4	-176	69.9	0	0	0	0	111.3	L143 R146 L227 D228 E236 L237	L143-V232 HydrophobicContact CD1-CG1 4.07Å; L143-V232 WeakPolarHBondContact CD1-O 3.47Å; L143-V232 HydrophobicContact CD2-CG1 3.81Å; R146-V232 PolarHBondContact NH1-O 2.81Å; R146-V232 PolarHBondContact NH2-O 2.91Å; L227-V232 HydrophobicContact CD2-CG2 4.29Å; D228-V232 VanDerWaalsContact O-CB 3.32Å; D228-V232 WeakPolarHBondContact O-CB 3.47Å; D228-V232 VanDerWaalsContact O-CG1 3.27Å; D228-V232 WeakPolarHBondContact O-CG1 3.49Å; D228-V232 PolarHBondContact O-N 2.78Å; V232-E236 HydrophobicContact CG2-CB 4.16Å; V232-L237 HydrophobicContact CG2-CD2 3.9Å; V232-L237 HydrophobicContact CG2-CG 4.26Å
233	T	97.1	Very high	96.5	Very high	53 Å²	53	67.4 Å²	67.4	33%	0.325	32%	0.323	S	S	.	.			trans	-107.6	158	-178.9	61.8	0	0	0	0	111.9	E235 E236 L237	T233-E235 PolarHBondContact O-N 2.85Å; T233-E236 WeakPolarHBondContact CB-OE2 3.47Å; T233-E236 PolarHBondContact N-OE2 3.29Å; T233-E236 PolarHBondContact O-N 3.1Å; T233-E236 VanDerWaalsContact OG1-CG 3.27Å; T233-E236 WeakPolarHBondContact OG1-CG 3.25Å; T233-E236 PolarHBondContact OG1-N 3.16Å; T233-E236 PolarHBondContact OG1-OE2 3.11Å; T233-L237 WeakPolarHBondContact O-CG 3.49Å; T233-L237 PolarHBondContact O-N 3.02Å; T233-L237 VanDerWaalsContact O-N 3.15Å
234	V	93.9	Very high	96.5	Very high	43 Å²	43	61.9 Å²	61.9	26%	0.261	30%	0.303	S	S	.	.	H	α-helix	trans	-60.7	-33.2	176.6	173.5	0	0	0	0	111.2	L143 L237 R238	L143-V234 HydrophobicContact CB-CG2 4.41Å; L143-V234 HydrophobicContact CD1-CG2 4.09Å; V234-L237 PolarHBondContact O-N 2.8Å; V234-R238 PolarHBondContact O-N 2.62Å
235	E	94.1	Very high	96.4	Very high	123 Å²	123	66.4 Å²	66.4	58%	0.575	33%	0.331	S	S	*	.	H	α-helix	trans	-64	-43.2	176.6	-75	70	-168.5	0	0	111.7	T233 L237 R238	T233-E235 PolarHBondContact O-N 2.85Å; E235-L237 VanDerWaalsContact C-N 3.32Å; E235-R238 WeakPolarHBondContact O-CB 3.44Å; E235-R238 PolarHBondContact O-N 3.17Å
236	E	94.5	Very high	96.4	Very high	105 Å²	105	66.5 Å²	66.5	49%	0.491	33%	0.331	S	S	.	.	H	α-helix	trans	-65.6	-36	174.9	-72	165.5	130.5	0	0	111.8	V232 T233 R238 T239 V240	V232-E236 HydrophobicContact CG2-CB 4.16Å; T233-E236 WeakPolarHBondContact CB-OE2 3.47Å; T233-E236 PolarHBondContact N-OE2 3.29Å; T233-E236 PolarHBondContact O-N 3.1Å; T233-E236 VanDerWaalsContact OG1-CG 3.27Å; T233-E236 WeakPolarHBondContact OG1-CG 3.25Å; T233-E236 PolarHBondContact OG1-N 3.16Å; T233-E236 PolarHBondContact OG1-OE2 3.11Å; E236-R238 PolarHBondContact O-N 2.83Å; E236-T239 CarbonylContact O-C 3.51Å; E236-T239 PolarHBondContact O-N 3.2Å; E236-V240 PolarHBondContact O-N 3.11Å
237	L	93	Very high	96.4	Very high	12 Å²	12	68.5 Å²	68.5	6%	0.063	34%	0.341	C	S	.	.	H	α-helix	trans	-65.6	-20.2	176.5	-64.6	-177.6	0	0	0	113.9	L134 L139 N140 L143 L227 V232 T233 V234 E235 T239 V240	L134-L237 HydrophobicContact CD2-CD2 4.43Å; L139-L237 HydrophobicContact CB-CD1 4.15Å; L139-L237 HydrophobicContact CD2-CD1 3.57Å; L139-L237 HydrophobicContact CD2-CD2 3.63Å; L139-L237 HydrophobicContact CD2-CG 4.26Å; L139-L237 HydrophobicContact CG-CD1 3.67Å; N140-L237 WeakPolarHBondContact OD1-CD1 3.47Å; L143-L237 HydrophobicContact CD1-CD1 3.6Å; L143-L237 HydrophobicContact CD1-CG 4.34Å; L143-L237 HydrophobicContact CG-CD1 4.39Å; L227-L237 HydrophobicContact CD1-CD2 3.93Å; L227-L237 HydrophobicContact CD2-CD2 4.24Å; V232-L237 HydrophobicContact CG2-CD2 3.9Å; V232-L237 HydrophobicContact CG2-CG 4.26Å; T233-L237 WeakPolarHBondContact O-CG 3.49Å; T233-L237 PolarHBondContact O-N 3.02Å; T233-L237 VanDerWaalsContact O-N 3.15Å; V234-L237 PolarHBondContact O-N 2.8Å; E235-L237 VanDerWaalsContact C-N 3.32Å; L237-T239 PolarHBondContact O-N 3.06Å; L237-V240 HydrophobicContact CD2-CG2 4.31Å
238	R	91.5	Very high	96.4	Very high	147 Å²	147	68 Å²	68	56%	0.555	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-20.7	176.4	-69.4	178.6	-179.4	178.4	3.8	112.8	V234 E235 E236 F313 P314	V234-R238 PolarHBondContact O-N 2.62Å; E235-R238 WeakPolarHBondContact O-CB 3.44Å; E235-R238 PolarHBondContact O-N 3.17Å; E236-R238 PolarHBondContact O-N 2.83Å; R238-F313 WeakPolarHBondContact O-CA 3.31Å; R238-F313 WeakPolarHBondContact O-CB 3.48Å; R238-P314 WeakPolarHBondContact O-CD 3.36Å
239	T	91.4	Very high	96.4	Very high	94 Å²	94	69.4 Å²	69.4	58%	0.577	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147.4	64.7	-176	54.4	0	0	0	0	110.4	E236 L237 K241	E236-T239 CarbonylContact O-C 3.51Å; E236-T239 PolarHBondContact O-N 3.2Å; L237-T239 PolarHBondContact O-N 3.06Å; T239-K241 PolarHBondContact O-N 3.16Å
240	V	96.8	Very high	96.4	Very high	9 Å²	9	70.6 Å²	70.6	6%	0.055	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	120.8	174	177.8	0	0	0	0	108	L134 L163 A225 L227 E236 L237 S311 M312	L134-V240 HydrophobicContact CD1-CB 4.21Å; L134-V240 HydrophobicContact CD1-CG2 3.78Å; L163-V240 HydrophobicContact CD1-CG1 4.12Å; A225-V240 HydrophobicContact CB-CG1 3.52Å; L227-V240 HydrophobicContact CD2-CG1 4.33Å; L227-V240 HydrophobicContact CD2-CG2 4.16Å; E236-V240 PolarHBondContact O-N 3.11Å; L237-V240 HydrophobicContact CD2-CG2 4.31Å; V240-S311 CarbonylContact O-C 3.51Å; V240-S311 WeakPolarHBondContact O-CA 3.49Å; V240-M312 HydrophobicContact CB-CB 4.38Å; V240-M312 PolarHBondContact N-O 3.09Å; V240-M312 PolarHBondContact O-N 3.01Å
241	K	97.2	Very high	96.4	Very high	131 Å²	131	71 Å²	71	57%	0.57	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.9	155.6	-177.8	64.9	175.6	-177	172.4	0	113.1	T239 V310 S311	T239-K241 PolarHBondContact O-N 3.16Å; K241-V310 CarbonylContact C-O 3.59Å; K241-V310 WeakPolarHBondContact CA-O 3.48Å; K241-V310 WeakPolarHBondContact CB-O 3.23Å; K241-S311 WeakPolarHBondContact CB-OG 3.43Å
242	G	98.1	Very high	96.3	Very high	12 Å²	12	68.3 Å²	68.3	12%	0.124	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.8	161.4	167.5	0	0	0	0	0	114	F224 V310	F224-G242 VanDerWaalsContact O-CA 3.31Å; F224-G242 WeakPolarHBondContact O-CA 3.47Å; G242-V310 PolarHBondContact N-O 2.92Å; G242-V310 PolarHBondContact O-N 3.17Å
243	R	98.3	Very high	96.1	Very high	201 Å²	201	68.7 Å²	68.7	76%	0.758	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	148.2	-179.9	-73.2	-170.7	-96.9	-132.4	-3	111.3	G308 E309	R243-G308 CarbonylContact C-O 3.56Å; R243-G308 VanDerWaalsContact CA-O 3.23Å; R243-G308 WeakPolarHBondContact CA-O 3.23Å; R243-E309 HydrophobicContact CG-CB 4.21Å; R243-E309 HydrophobicContact CG-CG 4.38Å
244	F	98.4	Very high	96	Very high	6 Å²	6	66.1 Å²	66.1	3%	0.026	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	150.2	172.9	73.2	-85.8	0	0	0	110.7	I165 A222 F257 F306 S307 G308 V310 V326	I165-F244 HydrophobicContact CD1-CE1 4.28Å; I165-F244 HydrophobicContact CD1-CZ 4.39Å; I165-F244 HydrophobicContact CG2-CB 3.62Å; I165-F244 HydrophobicContact CG2-CD1 3.97Å; I165-F244 HydrophobicContact CG2-CD2 3.91Å; I165-F244 HydrophobicContact CG2-CG 3.57Å; A222-F244 HydrophobicContact CB-CB 3.73Å; F244-F257 HydrophobicContact CE2-CE1 4.13Å; F244-F257 HydrophobicContact CZ-CE1 4.21Å; F244-F257 HydrophobicContact CZ-CZ 4.29Å; F244-F306 HydrophobicContact CE2-CB 4.38Å; F244-S307 WeakPolarHBondContact O-CA 3.35Å; F244-G308 PolarHBondContact N-O 3.38Å; F244-G308 PolarHBondContact O-N 3.26Å; F244-G308 VanDerWaalsContact O-N 3.09Å; F244-V310 HydrophobicContact CD1-CG2 3.72Å; F244-V310 HydrophobicContact CE1-CG2 3.87Å; F244-V326 HydrophobicContact CE1-CG1 4.08Å; F244-V326 HydrophobicContact CZ-CG1 4.32Å
245	T	98.1	Very high	96	Very high	107 Å²	107	64.6 Å²	64.6	66%	0.656	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.2	133.8	171.6	54.5	0	0	0	0	108.7	F306	T245-F306 CarbonylContact C-O 3.59Å; T245-F306 VanDerWaalsContact CA-O 3.25Å; T245-F306 WeakPolarHBondContact CA-O 3.41Å
246	C	97.8	Very high	96	Very high	13 Å²	13	58.7 Å²	58.7	9%	0.088	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	169	172.2	60.4	0	0	0	0	110.3	S219 H220 F306	S219-C246 WeakPolarHBondContact OG-CB 3.25Å; S219-C246 PolarHBondContact OG-SG 2.94Å; H220-C246 WeakPolarHBondContact O-CB 3.48Å; C246-F306 PolarHBondContact N-O 3.21Å; C246-F306 PolarHBondContact O-N 3.39Å
247	E	98.2	Very high	96.2	Very high	123 Å²	123	53.8 Å²	53.8	58%	0.575	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.1	139.7	-178.3	-67.6	174.4	161	0	0	109.1	S219 T304	S219-E247 WeakPolarHBondContact CB-O 3.41Å; E247-T304 WeakPolarHBondContact CA-O 3.23Å
248	S	98	Very high	96.4	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.014	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-67.6	141.1	179.6	38.6	0	0	0	0	112.5	L218 G250 V301 D303 T304	L218-S248 CarbonylContact O-C 3.59Å; L218-S248 VanDerWaalsContact O-CA 3.23Å; L218-S248 WeakPolarHBondContact O-CA 3.2Å; S248-G250 VanDerWaalsContact C-N 3.29Å; S248-G250 PolarHBondContact O-N 3.42Å; S248-V301 PolarHBondContact OG-O 3.05Å; S248-D303 PolarHBondContact O-N 3.28Å; S248-T304 PolarHBondContact N-O 2.82Å; S248-T304 VanDerWaalsContact N-O 3.09Å; S248-T304 WeakPolarHBondContact OG-CA 3.49Å; S248-T304 VanDerWaalsContact OG-CB 3.26Å; S248-T304 WeakPolarHBondContact OG-CB 3.46Å; S248-T304 PolarHBondContact OG-N 2.86Å; S248-T304 PolarHBondContact OG-O 2.91Å
249	F	98.2	Very high	96.7	Very high	97 Å²	97	46.2 Å²	46.2	43%	0.425	25%	0.248	S	C	.	.	S	Bend	trans	-69.2	-23.7	174.5	-63.1	-42.4	0	0	0	114	L218 S219 H220	L218-F249 VanDerWaalsContact C-CD2 3.44Å; L218-F249 WeakPolarHBondContact O-CD2 3.44Å; L218-F249 PolarHBondContact O-N 2.96Å; S219-F249 VanDerWaalsContact CA-CE2 3.47Å; S219-F249 WeakPolarHBondContact O-CE2 3.45Å; S219-F249 WeakPolarHBondContact O-CZ 3.46Å; H220-F249 HydrophobicContact CB-CZ 4.5Å; H220-F249 AromaticContact CD2-CE1 3.69Å; H220-F249 AromaticContact CE1-CE1 3.78Å; H220-F249 AromaticContact CE1-CZ 3.92Å; H220-F249 AromaticContact CG-CE1 3.86Å; H220-F249 AromaticContact CG-CZ 3.92Å; H220-F249 AromaticContact ND1-CE1 3.91Å; H220-F249 AromaticContact ND1-CZ 3.73Å; H220-F249 AromaticContact NE2-CE1 3.67Å
250	G	96.7	Very high	97.1	Very high	27 Å²	27	42.3 Å²	42.3	28%	0.278	22%	0.223	S	C	.	.	S	Bend	trans	-176.9	-165.5	-172.2	0	0	0	0	0	113.6	S248 V301	S248-G250 VanDerWaalsContact C-N 3.29Å; S248-G250 PolarHBondContact O-N 3.42Å; G250-V301 CarbonylContact O-C 3.42Å; G250-V301 VanDerWaalsContact O-C 3.28Å
251	S	97.3	Very high	97.2	Very high	99 Å²	99	42 Å²	42	69%	0.692	22%	0.221	S	C	*	.	S	Bend	trans	-82.2	123.1	177.6	-66.7	0	0	0	0	112	V300	S251-V300 VanDerWaalsContact CA-O 3.23Å; S251-V300 WeakPolarHBondContact CA-O 3.15Å
252	A	95.6	Very high	97.2	Very high	22 Å²	22	36.1 Å²	36.1	18%	0.182	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	163.3	177.4	0	0	0	0	0	111.2	L218 V300	L218-A252 HydrophobicContact CD1-CB 4.03Å; L218-A252 HydrophobicContact CD2-CB 3.58Å; L218-A252 HydrophobicContact CG-CB 4.45Å; A252-V300 PolarHBondContact N-O 3.02Å; A252-V300 WeakPolarHBondContact O-CG2 3.33Å; A252-V300 PolarHBondContact O-N 2.88Å
253	A	94	Very high	97.2	Very high	16 Å²	16	35.6 Å²	35.6	13%	0.132	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	104.7	168.8	0	0	0	0	0	109.6	S169 N255 P297 E299	S169-A253 WeakPolarHBondContact CB-O 3.42Å; S169-A253 PolarHBondContact OG-O 3.22Å; A253-N255 PolarHBondContact O-N 3.33Å; A253-P297 HydrophobicContact CB-CB 4.42Å; A253-E299 WeakPolarHBondContact CB-OE1 3.47Å
254	V	95.2	Very high	97.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	123.4	174.5	-175.1	0	0	0	0	108.2	P167 L218 L294 P297 V298 V300 F306	P167-V254 HydrophobicContact CB-CG1 3.88Å; L218-V254 HydrophobicContact CD1-CB 4.23Å; L218-V254 HydrophobicContact CD1-CG2 3.58Å; V254-L294 HydrophobicContact CG1-CD1 4.12Å; V254-P297 CarbonylContact O-C 3.57Å; V254-P297 WeakPolarHBondContact O-CA 3.42Å; V254-V298 PolarHBondContact N-O 3.29Å; V254-V298 PolarHBondContact O-N 3.13Å; V254-V300 HydrophobicContact CG2-CB 4.29Å; V254-V300 HydrophobicContact CG2-CG1 3.63Å; V254-V300 HydrophobicContact CG2-CG2 3.66Å; V254-F306 HydrophobicContact CG1-CE1 4.19Å; V254-F306 HydrophobicContact CG2-CE1 3.82Å; V254-F306 HydrophobicContact CG2-CZ 3.66Å
255	N	93.1	Very high	97.2	Very high	10 Å²	10	26.5 Å²	26.5	5%	0.053	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	-8	-179.3	64.4	15.8	0	0	0	113.8	I168 D170 A253 L294 P297	I168-N255 PolarHBondContact O-N 3.34Å; I168-N255 VanDerWaalsContact O-N 3.14Å; I168-N255 PolarHBondContact O-OD1 2.7Å; D170-N255 WeakPolarHBondContact CB-OD1 3.3Å; D170-N255 PolarHBondContact N-ND2 3.04Å; D170-N255 PolarHBondContact N-OD1 2.87Å; D170-N255 PolarHBondContact O-ND2 3.49Å; A253-N255 PolarHBondContact O-N 3.33Å; N255-L294 PolarHBondContact O-N 2.68Å; N255-P297 HydrophobicContact CB-CB 4.28Å; N255-P297 HydrophobicContact CB-CG 4.26Å
256	A	95.2	Very high	96.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	167.9	174.7	0	0	0	0	0	112.6	I168 V291 L292 Y293	I168-A256 HydrophobicContact CD1-CB 4.02Å; I168-A256 HydrophobicContact CG1-CB 3.73Å; I168-A256 PolarHBondContact N-O 3.48Å; I168-A256 PolarHBondContact O-N 2.88Å; A256-V291 HydrophobicContact CB-CG1 3.62Å; A256-L292 CarbonylContact C-O 3.52Å; A256-L292 VanDerWaalsContact CA-O 3.24Å; A256-L292 WeakPolarHBondContact CA-O 3.35Å; A256-L292 WeakPolarHBondContact CB-O 3.46Å; A256-Y293 HydrophobicContact CB-CD1 3.58Å; A256-Y293 HydrophobicContact CB-CE1 3.98Å; A256-Y293 HydrophobicContact CB-CG 4.3Å
257	F	97.6	Very high	96.1	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	145.5	157.1	-67.5	-77.1	0	0	0	110.2	I165 T166 P167 F244 V291 L292 L294 F306 V326 Y328	I165-F257 HydrophobicContact CD1-CB 3.94Å; I165-F257 HydrophobicContact CD1-CD1 4.04Å; I165-F257 HydrophobicContact CD1-CG 4Å; I165-F257 HydrophobicContact CG1-CB 4.02Å; I165-F257 HydrophobicContact CG1-CD1 4.06Å; I165-F257 HydrophobicContact CG1-CG 4.3Å; T166-F257 CarbonylContact O-C 3.44Å; T166-F257 WeakPolarHBondContact O-CA 3.26Å; P167-F257 HydrophobicContact CB-CD1 4.26Å; P167-F257 HydrophobicContact CB-CE1 4.15Å; F244-F257 HydrophobicContact CE2-CE1 4.13Å; F244-F257 HydrophobicContact CZ-CE1 4.21Å; F244-F257 HydrophobicContact CZ-CZ 4.29Å; F257-V291 WeakPolarHBondContact O-CA 3.21Å; F257-L292 HydrophobicContact CB-CB 4.28Å; F257-L292 HydrophobicContact CB-CD1 4.46Å; F257-L292 PolarHBondContact N-O 3.24Å; F257-L292 PolarHBondContact O-N 3.18Å; F257-L294 HydrophobicContact CD2-CD2 3.81Å; F257-L294 HydrophobicContact CE2-CD2 3.71Å; F257-F306 HydrophobicContact CE1-CD1 4.25Å; F257-F306 HydrophobicContact CZ-CD1 4.5Å; F257-V326 HydrophobicContact CD2-CG1 4.45Å; F257-V326 HydrophobicContact CE2-CG1 4.38Å; F257-Y328 HydrophobicContact CE2-CD1 4.06Å; F257-Y328 AromaticContact CE2-CD2 3.86Å; F257-Y328 HydrophobicContact CE2-CD2 3.86Å; F257-Y328 HydrophobicContact CE2-CE2 4.37Å; F257-Y328 AromaticContact CE2-CG 3.69Å; F257-Y328 HydrophobicContact CE2-CG 3.69Å; F257-Y328 HydrophobicContact CZ-CD2 4.02Å; F257-Y328 HydrophobicContact CZ-CG 4.01Å
258	C	97.6	Very high	95	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	126.8	170.7	168	0	0	0	0	109.2	I165 T166 I168 V212 Q289	I165-C258 VanDerWaalsContact CA-O 3.32Å; I165-C258 WeakPolarHBondContact CA-O 3.32Å; T166-C258 HydrophobicContact CG2-CB 3.99Å; T166-C258 PolarHBondContact N-O 2.87Å; T166-C258 PolarHBondContact O-N 3.33Å; I168-C258 HydrophobicContact CD1-CB 4.24Å; I168-C258 HydrophobicContact CG2-CB 3.5Å; I168-C258 VanDerWaalsContact CG2-CB 3.5Å; V212-C258 HydrophobicContact CG2-CB 4.41Å; C258-Q289 VanDerWaalsContact SG-CB 3.54Å
259	V	98.4	Very high	93.6	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	131.4	171.7	175.6	0	0	0	0	109.6	L163 Y164 I165 F224 A290 L292	L163-V259 HydrophobicContact CD2-CG1 4.33Å; Y164-V259 WeakPolarHBondContact O-CA 3.24Å; I165-V259 HydrophobicContact CB-CG2 4.32Å; I165-V259 HydrophobicContact CD1-CG2 4.22Å; I165-V259 HydrophobicContact CG1-CG2 4.08Å; F224-V259 HydrophobicContact CE1-CG1 4.2Å; F224-V259 HydrophobicContact CZ-CG1 4.33Å; V259-A290 HydrophobicContact CB-CB 4.26Å; V259-A290 PolarHBondContact N-O 3.49Å; V259-A290 PolarHBondContact O-N 3.04Å; V259-L292 HydrophobicContact CG2-CD1 3.73Å; V259-L292 HydrophobicContact CG2-CG 4.47Å
260	Y	98.6	Very high	91.6	Very high	13 Å²	13	32.8 Å²	32.8	5%	0.051	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	174.8	176.3	69	-96.3	0	0	0	110.3	Y164 P221 S279	Y164-Y260 HydrophobicContact CD2-CD2 4.13Å; Y164-Y260 AromaticContact CD2-CE2 3.59Å; Y164-Y260 HydrophobicContact CD2-CE2 3.59Å; Y164-Y260 HydrophobicContact CE2-CE2 4.44Å; Y164-Y260 HydrophobicContact CG-CD2 4.4Å; Y164-Y260 AromaticContact CG-CE2 3.65Å; Y164-Y260 HydrophobicContact CG-CE2 3.65Å; Y164-Y260 AromaticContact CG-CZ 3.77Å; Y164-Y260 PolarHBondContact N-O 2.79Å; Y164-Y260 PolarHBondContact O-N 2.93Å; Y164-Y260 VanDerWaalsContact O-N 3.17Å; P221-Y260 HydrophobicContact CB-CE1 4.17Å; P221-Y260 WeakPolarHBondContact CB-OH 3.37Å; P221-Y260 HydrophobicContact CG-CE1 4.36Å; P221-Y260 WeakPolarHBondContact CG-OH 3.32Å; Y260-S279 VanDerWaalsContact CE2-CB 3.43Å
261	F	98.7	Very high	89.7	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.009	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	167.1	-177.7	68.2	-95.3	0	0	0	113.2	M129 L133 E162 L163 V263 T278 W287	M129-F261 HydrophobicContact CB-CE2 3.94Å; M129-F261 HydrophobicContact CB-CZ 3.71Å; M129-F261 HydrophobicContact CE-CE2 4.49Å; M129-F261 HydrophobicContact CG-CE2 3.91Å; M129-F261 HydrophobicContact CG-CZ 4.21Å; L133-F261 HydrophobicContact CB-CB 3.95Å; L133-F261 HydrophobicContact CB-CD1 3.79Å; L133-F261 HydrophobicContact CB-CE1 4.42Å; L133-F261 HydrophobicContact CB-CG 3.88Å; L133-F261 HydrophobicContact CD1-CB 4.1Å; L133-F261 HydrophobicContact CD1-CD1 4.25Å; L133-F261 HydrophobicContact CD1-CD2 3.61Å; L133-F261 HydrophobicContact CD1-CE2 4.02Å; L133-F261 HydrophobicContact CD1-CG 3.74Å; L133-F261 HydrophobicContact CD1-CZ 4.49Å; L133-F261 HydrophobicContact CD2-CB 4.37Å; L133-F261 HydrophobicContact CG-CB 4.38Å; L133-F261 HydrophobicContact CG-CG 4.35Å; E162-F261 CarbonylContact O-C 3.5Å; E162-F261 WeakPolarHBondContact O-CA 3.32Å; E162-F261 VanDerWaalsContact O-CB 3.29Å; E162-F261 WeakPolarHBondContact O-CB 3.41Å; L163-F261 HydrophobicContact CD2-CB 4.03Å; F261-V263 HydrophobicContact CD2-CG1 4.19Å; F261-V263 HydrophobicContact CE2-CG1 4.32Å; F261-T278 HydrophobicContact CD1-CG2 4.31Å; F261-T278 HydrophobicContact CD2-CG2 4.28Å; F261-T278 HydrophobicContact CE1-CG2 3.85Å; F261-T278 HydrophobicContact CE2-CG2 3.81Å; F261-T278 HydrophobicContact CZ-CG2 3.58Å; F261-T278 PolarHBondContact N-OG1 2.74Å; F261-T278 PolarHBondContact O-N 2.69Å; F261-T278 PolarHBondContact O-OG1 3.42Å; F261-W287 HydrophobicContact CE1-CB 4.24Å; F261-W287 HydrophobicContact CE1-CD2 4.39Å; F261-W287 AromaticContact CE1-CG 4Å; F261-W287 HydrophobicContact CE1-CG 4Å; F261-W287 HydrophobicContact CZ-CB 4.41Å; F261-W287 AromaticContact CZ-CD2 3.73Å; F261-W287 HydrophobicContact CZ-CD2 3.73Å; F261-W287 AromaticContact CZ-CE2 3.92Å; F261-W287 HydrophobicContact CZ-CE3 4.21Å; F261-W287 AromaticContact CZ-CG 3.82Å; F261-W287 HydrophobicContact CZ-CG 3.82Å
262	T	98.6	Very high	88	Confident	8 Å²	8	38.6 Å²	38.6	5%	0.049	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	145.6	165.3	63.8	0	0	0	0	109.7	A161 E162 Y164 V275 L276 S277	A161-T262 CarbonylContact C-O 3.55Å; A161-T262 VanDerWaalsContact CA-O 3.3Å; A161-T262 WeakPolarHBondContact CA-O 3.44Å; E162-T262 PolarHBondContact N-O 3Å; E162-T262 PolarHBondContact O-N 2.81Å; E162-T262 PolarHBondContact OE2-OG1 3.47Å; Y164-T262 HydrophobicContact CD2-CG2 4.41Å; Y164-T262 HydrophobicContact CE2-CG2 3.86Å; T262-V275 HydrophobicContact CG2-CG1 4.25Å; T262-L276 CarbonylContact C-O 3.33Å; T262-L276 VanDerWaalsContact CA-O 3.24Å; T262-L276 WeakPolarHBondContact CA-O 3.3Å; T262-S277 WeakPolarHBondContact CG2-OG 3.43Å
263	V	98.6	Very high	87.3	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	140.1	167.7	-60.5	0	0	0	0	110.5	W128 M129 L133 P158 R160 A161 F261 F265 V275 L276	W128-V263 HydrophobicContact CZ2-CG1 4.5Å; M129-V263 HydrophobicContact CE-CG1 4.32Å; M129-V263 HydrophobicContact CE-CG2 3.93Å; M129-V263 HydrophobicContact CG-CG1 3.95Å; M129-V263 HydrophobicContact SD-CG1 4Å; M129-V263 HydrophobicContact SD-CG2 4.45Å; L133-V263 HydrophobicContact CD1-CG1 4.25Å; P158-V263 HydrophobicContact CB-CB 3.8Å; P158-V263 HydrophobicContact CB-CG2 4.04Å; P158-V263 HydrophobicContact CG-CB 3.8Å; P158-V263 HydrophobicContact CG-CG1 4.24Å; P158-V263 HydrophobicContact CG-CG2 3.95Å; R160-V263 CarbonylContact O-C 3.57Å; R160-V263 VanDerWaalsContact O-CA 3.26Å; R160-V263 WeakPolarHBondContact O-CA 3.24Å; A161-V263 HydrophobicContact CB-CG1 3.92Å; F261-V263 HydrophobicContact CD2-CG1 4.19Å; F261-V263 HydrophobicContact CE2-CG1 4.32Å; V263-F265 HydrophobicContact CG2-CE2 4.1Å; V263-F265 HydrophobicContact CG2-CZ 4.43Å; V263-V275 WeakPolarHBondContact O-CA 3.13Å; V263-L276 HydrophobicContact CG2-CB 3.73Å; V263-L276 HydrophobicContact CG2-CD2 4Å; V263-L276 HydrophobicContact CG2-CG 4.22Å; V263-L276 PolarHBondContact N-O 3.46Å; V263-L276 PolarHBondContact O-N 3.13Å
264	T	97.9	Very high	87.3	Confident	17 Å²	17	41.9 Å²	41.9	10%	0.104	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.5	-176	-58.6	0	0	0	0	110.2	P158 S159 R160 V275	P158-T264 WeakPolarHBondContact CB-O 3.36Å; S159-T264 PolarHBondContact N-O 3.38Å; R160-T264 PolarHBondContact N-O 2.83Å; R160-T264 PolarHBondContact O-N 2.98Å; T264-V275 HydrophobicContact CG2-CG2 4.31Å
265	F	97	Very high	87.4	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	127.4	172.3	-60.7	-94.4	0	0	0	109.4	T41 Y42 A45 L157 P158 V263 C267 L274 L276	T41-F265 HydrophobicContact CG2-CD2 4.27Å; T41-F265 HydrophobicContact CG2-CE2 3.91Å; Y42-F265 AromaticContact CD1-CE1 3.88Å; Y42-F265 HydrophobicContact CD1-CE1 3.88Å; Y42-F265 AromaticContact CD1-CZ 3.96Å; Y42-F265 HydrophobicContact CD1-CZ 3.96Å; Y42-F265 HydrophobicContact CD2-CZ 4.03Å; Y42-F265 AromaticContact CE1-CE1 3.75Å; Y42-F265 HydrophobicContact CE1-CE1 3.75Å; Y42-F265 AromaticContact CE1-CZ 3.79Å; Y42-F265 HydrophobicContact CE1-CZ 3.79Å; Y42-F265 AromaticContact CE2-CZ 3.84Å; Y42-F265 HydrophobicContact CE2-CZ 3.84Å; Y42-F265 HydrophobicContact CG-CE1 4.39Å; Y42-F265 HydrophobicContact CG-CZ 4.07Å; Y42-F265 AromaticContact CZ-CZ 3.72Å; A45-F265 HydrophobicContact CB-CB 3.65Å; A45-F265 HydrophobicContact CB-CD1 3.31Å; A45-F265 HydrophobicContact CB-CD2 3.99Å; A45-F265 HydrophobicContact CB-CE1 3.89Å; A45-F265 HydrophobicContact CB-CE2 4.5Å; A45-F265 HydrophobicContact CB-CG 3.36Å; A45-F265 HydrophobicContact CB-CZ 4.44Å; L157-F265 HydrophobicContact CB-CD1 4Å; L157-F265 HydrophobicContact CB-CE1 4.25Å; L157-F265 HydrophobicContact CD2-CD1 4.2Å; P158-F265 HydrophobicContact CB-CD1 3.96Å; P158-F265 HydrophobicContact CB-CD2 4.42Å; P158-F265 HydrophobicContact CB-CE1 3.81Å; P158-F265 HydrophobicContact CB-CE2 4.27Å; P158-F265 HydrophobicContact CB-CG 4.28Å; P158-F265 HydrophobicContact CB-CZ 3.97Å; P158-F265 HydrophobicContact CG-CE1 4.35Å; P158-F265 HydrophobicContact CG-CZ 4.38Å; V263-F265 HydrophobicContact CG2-CE2 4.1Å; V263-F265 HydrophobicContact CG2-CZ 4.43Å; F265-C267 PolarHBondContact O-N 3.3Å; F265-L274 HydrophobicContact CB-CB 4.36Å; F265-L274 PolarHBondContact N-O 3.39Å; F265-L274 PolarHBondContact O-N 2.99Å; F265-L276 HydrophobicContact CE2-CB 4.11Å
266	P	92	Very high	87.7	Confident	37 Å²	37	44.6 Å²	44.6	24%	0.24	24%	0.24	C	C	.	.			trans	-60.4	136.4	172.5	28.5	-34.5	0	0	0	108.8	N49 L155 L157 S159	N49-P266 PolarHBondContact ND2-O 3.29Å; N49-P266 PolarHBondContact OD1-O 3.15Å; L155-P266 HydrophobicContact CD1-CB 4.4Å; L155-P266 HydrophobicContact CD1-CG 3.48Å; L155-P266 VanDerWaalsContact CD1-CG 3.48Å; L157-P266 HydrophobicContact CD2-CG 3.79Å; S159-P266 WeakPolarHBondContact OG-CD 3.09Å
267	C	82.5	Confident	87.8	Confident	25 Å²	25	45.1 Å²	45.1	17%	0.169	24%	0.244	C	C	.	.			trans	-128.9	133.6	178	-74.4	0	0	0	0	109	F265 E269	F265-C267 PolarHBondContact O-N 3.3Å; C267-E269 VanDerWaalsContact C-N 3.27Å; C267-E269 PolarHBondContact O-N 3.07Å
268	P	73.4	Confident	87.8	Confident	74 Å²	74	45.2 Å²	45.2	48%	0.481	25%	0.245	S	C	.	.	S	Bend	trans	-64.5	-32.2	177.2	-21	32.1	0	0	0	113	L52 K270	L52-P268 HydrophobicContact CD1-CG 4.17Å; P268-K270 PolarHBondContact O-N 2.9Å
269	E	68.6	Low	87.9	Confident	139 Å²	139	45.4 Å²	45.4	65%	0.65	25%	0.246	S	C	*	.	S	Bend	trans	-79.9	101.3	-179.5	-64.9	179.2	173.6	0	0	110.9	C267	C267-E269 VanDerWaalsContact C-N 3.27Å; C267-E269 PolarHBondContact O-N 3.07Å
270	K	56.9	Low	87.8	Confident	199 Å²	199	46 Å²	46	87%	0.865	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	144.8	169.4	-70.6	-171.9	-179.9	-176.6	0	110.4	P268	P268-K270 PolarHBondContact O-N 2.9Å
271	P	56.2	Low	87.7	Confident	106 Å²	106	49.7 Å²	49.7	69%	0.688	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	cis	-105.2	9.3	16.2	37.1	-30.1	0	0	0	115.4
272	H	62.6	Low	87.6	Confident	142 Å²	142	56.7 Å²	56.7	66%	0.657	29%	0.294	S	S	*	.			trans	-113.5	102.9	-166.9	-57.4	-62.4	0	0	0	112.2
273	S	81.1	Confident	87.5	Confident	66 Å²	66	60.5 Å²	60.5	46%	0.462	32%	0.319	S	S	.	.			trans	-62.4	141.9	158.1	52.3	0	0	0	0	109.5
274	L	94.4	Very high	87.4	Confident	40 Å²	40	66.1 Å²	66.1	21%	0.209	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	130.7	176.3	-173.8	67.2	0	0	0	109.1	T41 T44 A45 F265	T41-L274 HydrophobicContact CG2-CD2 3.76Å; T41-L274 HydrophobicContact CG2-CG 3.86Å; T41-L274 WeakPolarHBondContact O-CD2 3.25Å; T44-L274 HydrophobicContact CG2-CD2 3.79Å; A45-L274 HydrophobicContact CB-CD2 3.97Å; F265-L274 HydrophobicContact CB-CB 4.36Å; F265-L274 PolarHBondContact N-O 3.39Å; F265-L274 PolarHBondContact O-N 2.99Å
275	V	96.7	Very high	87.4	Confident	66 Å²	66	65.5 Å²	65.5	40%	0.4	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	127.7	-177.6	-179.9	0	0	0	0	109.3	T262 V263 T264	T262-V275 HydrophobicContact CG2-CG1 4.25Å; V263-V275 WeakPolarHBondContact O-CA 3.13Å; T264-V275 HydrophobicContact CG2-CG2 4.31Å
276	L	98.2	Very high	87.3	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.005	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	119.2	163.7	173.1	58.7	0	0	0	107.3	V37 T41 Y42 M129 T262 V263 F265 W287	V37-L276 HydrophobicContact CG1-CD1 3.87Å; T41-L276 HydrophobicContact CG2-CB 3.8Å; Y42-L276 HydrophobicContact CD2-CD2 4.42Å; Y42-L276 HydrophobicContact CE2-CD2 4Å; M129-L276 HydrophobicContact CE-CD2 4.09Å; T262-L276 CarbonylContact C-O 3.33Å; T262-L276 VanDerWaalsContact CA-O 3.24Å; T262-L276 WeakPolarHBondContact CA-O 3.3Å; V263-L276 HydrophobicContact CG2-CB 3.73Å; V263-L276 HydrophobicContact CG2-CD2 4Å; V263-L276 HydrophobicContact CG2-CG 4.22Å; V263-L276 PolarHBondContact N-O 3.46Å; V263-L276 PolarHBondContact O-N 3.13Å; F265-L276 HydrophobicContact CE2-CB 4.11Å; L276-W287 HydrophobicContact CD2-CH2 3.97Å; L276-W287 HydrophobicContact CD2-CZ3 3.89Å; L276-W287 HydrophobicContact CG-CZ3 4.45Å
277	S	98.1	Very high	87.5	Confident	12 Å²	12	65.3 Å²	65.3	8%	0.084	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	138.1	-177.6	-173.5	0	0	0	0	111	T262 S279	T262-S277 WeakPolarHBondContact CG2-OG 3.43Å; S277-S279 WeakPolarHBondContact OG-CB 3.45Å; S277-S279 PolarHBondContact OG-N 2.93Å
278	T	98.5	Very high	88.2	Confident	2 Å²	2	67.1 Å²	67.1	1%	0.012	34%	0.342	C	S	.	.			trans	-103.9	18.1	169.6	63.8	0	0	0	0	111.9	F261 T285 W287 Q289	F261-T278 HydrophobicContact CD1-CG2 4.31Å; F261-T278 HydrophobicContact CD2-CG2 4.28Å; F261-T278 HydrophobicContact CE1-CG2 3.85Å; F261-T278 HydrophobicContact CE2-CG2 3.81Å; F261-T278 HydrophobicContact CZ-CG2 3.58Å; F261-T278 PolarHBondContact N-OG1 2.74Å; F261-T278 PolarHBondContact O-N 2.69Å; F261-T278 PolarHBondContact O-OG1 3.42Å; T278-T285 HydrophobicContact CG2-CG2 4.47Å; T278-T285 WeakPolarHBondContact CG2-OG1 3.39Å; T278-W287 HydrophobicContact CG2-CB 3.95Å; T278-W287 HydrophobicContact CG2-CD2 4.15Å; T278-W287 HydrophobicContact CG2-CE3 3.71Å; T278-W287 HydrophobicContact CG2-CG 4.29Å; T278-Q289 PolarHBondContact O-NE2 2.86Å
279	S	98.1	Very high	89.3	Confident	4 Å²	4	64.1 Å²	64.1	3%	0.028	32%	0.321	C	S	.	.			trans	-67	144.1	179.9	176	0	0	0	0	111.9	Y260 S277 F281 Y282	Y260-S279 VanDerWaalsContact CE2-CB 3.43Å; S277-S279 WeakPolarHBondContact OG-CB 3.45Å; S277-S279 PolarHBondContact OG-N 2.93Å; S279-F281 PolarHBondContact O-N 3.14Å; S279-F281 VanDerWaalsContact O-N 3.09Å; S279-F281 PolarHBondContact OG-N 3.49Å; S279-Y282 PolarHBondContact O-N 3.47Å
280	P	97.1	Very high	90.7	Very high	14 Å²	14	57.5 Å²	57.5	9%	0.091	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-13.3	174.7	27.2	-36.4	0	0	0	114	V212 V217 Y282	V212-P280 HydrophobicContact CB-CB 4.1Å; V212-P280 HydrophobicContact CG1-CB 4.16Å; V212-P280 WeakPolarHBondContact O-CB 3.34Å; V217-P280 HydrophobicContact CG2-CB 4.12Å; V217-P280 HydrophobicContact CG2-CG 3.59Å; P280-Y282 VanDerWaalsContact C-N 3.33Å
281	F	97	Very high	92.5	Very high	89 Å²	89	48 Å²	48	39%	0.39	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-4.1	175.2	-62.9	-73.3	0	0	0	113.9	M214 V217 P221 S279	M214-F281 HydrophobicContact CB-CD1 3.99Å; M214-F281 HydrophobicContact CB-CE1 4.23Å; V217-F281 HydrophobicContact CB-CE1 4.44Å; V217-F281 HydrophobicContact CB-CE2 4.26Å; V217-F281 HydrophobicContact CB-CZ 3.71Å; V217-F281 HydrophobicContact CG1-CE2 3.83Å; V217-F281 HydrophobicContact CG1-CZ 3.55Å; V217-F281 HydrophobicContact CG2-CE2 4.24Å; V217-F281 HydrophobicContact CG2-CZ 4.04Å; P221-F281 HydrophobicContact CG-CD2 4.4Å; P221-F281 HydrophobicContact CG-CE2 3.83Å; S279-F281 PolarHBondContact O-N 3.14Å; S279-F281 VanDerWaalsContact O-N 3.09Å; S279-F281 PolarHBondContact OG-N 3.49Å
282	Y	96.2	Very high	94.4	Very high	149 Å²	149	43 Å²	43	58%	0.584	22%	0.217	S	C	*	.	S	Bend	trans	-119.7	165.9	-175.8	-74.9	-94.3	0	0	0	110.7	S279 P280 E284	S279-Y282 PolarHBondContact O-N 3.47Å; P280-Y282 VanDerWaalsContact C-N 3.33Å; Y282-E284 PolarHBondContact O-N 2.92Å
283	P	96.7	Very high	95.8	Very high	88 Å²	88	36.8 Å²	36.8	57%	0.571	19%	0.188	S	C	*	.			trans	-52.1	141	176.7	-28.9	37.4	0	0	0	112.7	V37	V37-P283 HydrophobicContact CG2-CB 3.75Å
284	E	96.4	Very high	96.4	Very high	119 Å²	119	33.9 Å²	33.9	56%	0.556	17%	0.167	S	C	*	.			trans	-58.8	144.1	-176.9	-174.1	177.4	157.7	0	0	112.3	N211 Y282	N211-E284 VanDerWaalsContact CG-CD 3.49Å; N211-E284 PolarHBondContact ND2-OE1 2.8Å; N211-E284 PolarHBondContact ND2-OE2 2.9Å; N211-E284 PolarHBondContact OD1-OE1 3Å; Y282-E284 PolarHBondContact O-N 2.92Å
285	T	97.9	Very high	96	Very high	4 Å²	4	35.9 Å²	35.9	3%	0.025	18%	0.178	C	C	.	.			trans	-127.4	157.9	172.8	67	0	0	0	0	108.3	D35 V37 T278 W287 K288	D35-T285 VanDerWaalsContact OD2-CA 3.3Å; D35-T285 WeakPolarHBondContact OD2-CA 3.33Å; D35-T285 WeakPolarHBondContact OD2-CB 3.49Å; V37-T285 HydrophobicContact CB-CG2 4.01Å; V37-T285 HydrophobicContact CG1-CG2 3.82Å; T278-T285 HydrophobicContact CG2-CG2 4.47Å; T278-T285 WeakPolarHBondContact CG2-OG1 3.39Å; T285-W287 HydrophobicContact CG2-CE3 4.41Å; T285-W287 PolarHBondContact O-N 3.47Å; T285-W287 VanDerWaalsContact O-N 3.12Å; T285-K288 PolarHBondContact O-N 2.96Å
286	H	94.8	Very high	95.4	Very high	26 Å²	26	36.1 Å²	36.1	12%	0.12	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-23.3	179.9	77.5	-73.9	0	0	0	113.4	E31 D35 K288	E31-H286 HydrophobicContact CG-CB 3.77Å; D35-H286 HydrophobicContact CB-CB 4.44Å; D35-H286 IonicContact OD2-CE1 3.82Å; D35-H286 IonicContact OD2-CG 3.79Å; D35-H286 PolarHBondContact OD2-N 3.39Å; D35-H286 IonicContact OD2-ND1 3.6Å; D35-H286 PolarHBondContact OD2-ND1 3.24Å; H286-K288 PolarHBondContact O-N 2.98Å
287	W	96.6	Very high	95	Very high	6 Å²	6	38.9 Å²	38.9	2%	0.023	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-25.3	174.6	-69.8	-69.8	0	0	0	113.9	R38 E127 M129 F261 L276 T278 T285	R38-W287 HydrophobicContact CB-CH2 4.08Å; R38-W287 HydrophobicContact CB-CZ3 3.87Å; R38-W287 HydrophobicContact CG-CH2 3.65Å; R38-W287 HydrophobicContact CG-CZ3 3.99Å; E127-W287 HydrophobicContact CG-CH2 4.39Å; E127-W287 HydrophobicContact CG-CZ2 4.34Å; E127-W287 WeakPolarHBondContact OE1-CZ2 3.49Å; M129-W287 HydrophobicContact CB-CZ2 4.07Å; M129-W287 HydrophobicContact CE-CH2 3.77Å; M129-W287 HydrophobicContact CE-CZ2 3.82Å; M129-W287 PolarHBondContact O-NE1 2.87Å; F261-W287 HydrophobicContact CE1-CB 4.24Å; F261-W287 HydrophobicContact CE1-CD2 4.39Å; F261-W287 AromaticContact CE1-CG 4Å; F261-W287 HydrophobicContact CE1-CG 4Å; F261-W287 HydrophobicContact CZ-CB 4.41Å; F261-W287 AromaticContact CZ-CD2 3.73Å; F261-W287 HydrophobicContact CZ-CD2 3.73Å; F261-W287 AromaticContact CZ-CE2 3.92Å; F261-W287 HydrophobicContact CZ-CE3 4.21Å; F261-W287 AromaticContact CZ-CG 3.82Å; F261-W287 HydrophobicContact CZ-CG 3.82Å; L276-W287 HydrophobicContact CD2-CH2 3.97Å; L276-W287 HydrophobicContact CD2-CZ3 3.89Å; L276-W287 HydrophobicContact CG-CZ3 4.45Å; T278-W287 HydrophobicContact CG2-CB 3.95Å; T278-W287 HydrophobicContact CG2-CD2 4.15Å; T278-W287 HydrophobicContact CG2-CE3 3.71Å; T278-W287 HydrophobicContact CG2-CG 4.29Å; T285-W287 HydrophobicContact CG2-CE3 4.41Å; T285-W287 PolarHBondContact O-N 3.47Å; T285-W287 VanDerWaalsContact O-N 3.12Å
288	K	96.8	Very high	94.8	Very high	64 Å²	64	38.9 Å²	38.9	28%	0.278	20%	0.2	S	C	.	.			trans	48	-139.5	-172.4	-47.1	-175.3	174.8	147.8	0	110.9	V209 S210 N211 T285 H286	V209-K288 HydrophobicContact CG1-CB 4.08Å; V209-K288 HydrophobicContact CG1-CD 4.37Å; V209-K288 HydrophobicContact CG1-CG 4.43Å; S210-K288 WeakPolarHBondContact O-CB 3.27Å; N211-K288 WeakPolarHBondContact OD1-CB 3.38Å; N211-K288 WeakPolarHBondContact OD1-CD 3.26Å; N211-K288 WeakPolarHBondContact OD1-CG 3.39Å; T285-K288 PolarHBondContact O-N 2.96Å; H286-K288 PolarHBondContact O-N 2.98Å
289	Q	97.5	Very high	94.7	Very high	10 Å²	10	45.6 Å²	45.6	5%	0.047	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	157	173.2	-61	77.9	43.3	0	0	111.2	V209 S210 V212 C258 T278	V209-Q289 WeakPolarHBondContact CA-O 3.26Å; S210-Q289 PolarHBondContact N-O 2.8Å; S210-Q289 VanDerWaalsContact N-O 3.09Å; S210-Q289 PolarHBondContact O-N 2.79Å; S210-Q289 VanDerWaalsContact O-N 3.07Å; S210-Q289 PolarHBondContact O-OE1 2.74Å; V212-Q289 HydrophobicContact CG2-CB 4.11Å; C258-Q289 VanDerWaalsContact SG-CB 3.54Å; T278-Q289 PolarHBondContact O-NE2 2.86Å
290	A	96.6	Very high	94.7	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.008	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	112.5	172.7	0	0	0	0	0	110.1	A132 I207 V259	A132-A290 HydrophobicContact CB-CB 3.81Å; I207-A290 HydrophobicContact CG2-CB 3.71Å; V259-A290 HydrophobicContact CB-CB 4.26Å; V259-A290 PolarHBondContact N-O 3.49Å; V259-A290 PolarHBondContact O-N 3.04Å
291	V	95.4	Very high	94.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	128.6	-178.3	-179.2	0	0	0	0	110.4	I168 I208 S210 V212 A256 F257 Y293	I168-V291 HydrophobicContact CD1-CG1 4Å; I168-V291 HydrophobicContact CD1-CG2 4.25Å; I208-V291 HydrophobicContact CB-CB 4.38Å; I208-V291 PolarHBondContact N-O 3.15Å; I208-V291 VanDerWaalsContact N-O 3.11Å; I208-V291 PolarHBondContact O-N 3.33Å; S210-V291 VanDerWaalsContact OG-CG2 3.3Å; S210-V291 WeakPolarHBondContact OG-CG2 3.42Å; V212-V291 HydrophobicContact CG2-CG2 3.7Å; A256-V291 HydrophobicContact CB-CG1 3.62Å; F257-V291 WeakPolarHBondContact O-CA 3.21Å; V291-Y293 HydrophobicContact CG1-CD1 4.21Å; V291-Y293 HydrophobicContact CG1-CD2 4.37Å; V291-Y293 HydrophobicContact CG1-CE1 3.77Å; V291-Y293 HydrophobicContact CG1-CE2 4.02Å; V291-Y293 HydrophobicContact CG1-CG 4.47Å
292	L	95.4	Very high	94.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	88.3	-172.8	-49.9	-178.7	0	0	0	109.6	I207 A256 F257 V259 I324 V326 F340	I207-L292 HydrophobicContact CB-CD2 4.46Å; I207-L292 HydrophobicContact CG1-CD2 3.88Å; I207-L292 HydrophobicContact CG2-CD2 4.31Å; A256-L292 CarbonylContact C-O 3.52Å; A256-L292 VanDerWaalsContact CA-O 3.24Å; A256-L292 WeakPolarHBondContact CA-O 3.35Å; A256-L292 WeakPolarHBondContact CB-O 3.46Å; F257-L292 HydrophobicContact CB-CB 4.28Å; F257-L292 HydrophobicContact CB-CD1 4.46Å; F257-L292 PolarHBondContact N-O 3.24Å; F257-L292 PolarHBondContact O-N 3.18Å; V259-L292 HydrophobicContact CG2-CD1 3.73Å; V259-L292 HydrophobicContact CG2-CG 4.47Å; L292-I324 HydrophobicContact CD1-CB 4.47Å; L292-I324 HydrophobicContact CD1-CG2 3.85Å; L292-I324 HydrophobicContact CD2-CD1 4.25Å; L292-V326 HydrophobicContact CD1-CG2 3.87Å; L292-F340 HydrophobicContact CB-CD1 4.11Å; L292-F340 HydrophobicContact CB-CD2 4.1Å; L292-F340 HydrophobicContact CB-CE1 3.84Å; L292-F340 HydrophobicContact CB-CE2 3.86Å; L292-F340 HydrophobicContact CB-CG 4.23Å; L292-F340 HydrophobicContact CB-CZ 3.7Å; L292-F340 HydrophobicContact CD1-CD2 4.25Å; L292-F340 HydrophobicContact CD1-CE2 4.4Å; L292-F340 HydrophobicContact CD2-CB 3.92Å; L292-F340 HydrophobicContact CD2-CD1 4.19Å; L292-F340 HydrophobicContact CD2-CD2 4.1Å; L292-F340 HydrophobicContact CD2-CG 3.82Å; L292-F340 HydrophobicContact CG-CD2 4.39Å; L292-F340 HydrophobicContact CG-CG 4.49Å
293	Y	93.3	Very high	94.9	Very high	12 Å²	12	48.1 Å²	48.1	5%	0.047	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	132.9	-174.3	-69.9	-65.5	0	0	0	113.6	D170 V173 I202 I208 A256 V291 K338 F340	D170-Y293 HydrophobicContact CB-CE1 4.08Å; D170-Y293 WeakPolarHBondContact OD2-CE1 3.19Å; D170-Y293 PolarHBondContact OD2-OH 2.82Å; V173-Y293 HydrophobicContact CG2-CD1 3.7Å; V173-Y293 HydrophobicContact CG2-CE1 3.09Å; V173-Y293 HydrophobicContact CG2-CE2 4.37Å; V173-Y293 VanDerWaalsContact CG2-CZ 3.47Å; I202-Y293 HydrophobicContact CG2-CD2 4.18Å; I202-Y293 HydrophobicContact CG2-CE2 4.19Å; I208-Y293 HydrophobicContact CB-CE2 4.28Å; I208-Y293 HydrophobicContact CG1-CD2 4.12Å; I208-Y293 HydrophobicContact CG1-CE2 3.88Å; A256-Y293 HydrophobicContact CB-CD1 3.58Å; A256-Y293 HydrophobicContact CB-CE1 3.98Å; A256-Y293 HydrophobicContact CB-CG 4.3Å; V291-Y293 HydrophobicContact CG1-CD1 4.21Å; V291-Y293 HydrophobicContact CG1-CD2 4.37Å; V291-Y293 HydrophobicContact CG1-CE1 3.77Å; V291-Y293 HydrophobicContact CG1-CE2 4.02Å; V291-Y293 HydrophobicContact CG1-CG 4.47Å; Y293-K338 PolarHBondContact O-NZ 2.75Å; Y293-F340 VanDerWaalsContact O-CE1 3.3Å; Y293-F340 WeakPolarHBondContact O-CE1 3.15Å
294	L	91.9	Very high	95	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	157.9	173.5	-52.9	-174.6	0	0	0	111	V254 N255 F257 S296 Y328 I330	V254-L294 HydrophobicContact CG1-CD1 4.12Å; N255-L294 PolarHBondContact O-N 2.68Å; F257-L294 HydrophobicContact CD2-CD2 3.81Å; F257-L294 HydrophobicContact CE2-CD2 3.71Å; L294-S296 PolarHBondContact O-N 3.18Å; L294-Y328 HydrophobicContact CD1-CE2 4.46Å; L294-Y328 HydrophobicContact CD2-CE1 4.24Å; L294-Y328 HydrophobicContact CD2-CE2 4.02Å; L294-I330 HydrophobicContact CD1-CD1 4.03Å
295	D	86.3	Confident	95.1	Very high	82 Å²	82	42.2 Å²	42.2	44%	0.439	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	-26.6	177.2	-73.4	-14.6	0	0	0	112.3	K203 K338	K203-D295 VanDerWaalsContact CD-O 3.25Å; K203-D295 WeakPolarHBondContact CD-O 3.46Å; K203-D295 WeakPolarHBondContact CE-O 3.48Å; K203-D295 PolarHBondContact NZ-O 3.31Å; D295-K338 WeakPolarHBondContact OD1-CE 3.18Å; D295-K338 IonicContact OD1-NZ 3.04Å; D295-K338 PolarHBondContact OD1-NZ 2.84Å
296	S	84.4	Confident	95.1	Very high	72 Å²	72	42.1 Å²	42.1	50%	0.503	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	145.8	171.1	-67.1	0	0	0	0	110.1	L294	L294-S296 PolarHBondContact O-N 3.18Å
297	P	89.9	Confident	95.2	Very high	59 Å²	59	43.2 Å²	43.2	38%	0.383	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	146.9	172.5	-21.4	32.6	0	0	0	111.6	A253 V254 N255	A253-P297 HydrophobicContact CB-CB 4.42Å; V254-P297 CarbonylContact O-C 3.57Å; V254-P297 WeakPolarHBondContact O-CA 3.42Å; N255-P297 HydrophobicContact CB-CB 4.28Å; N255-P297 HydrophobicContact CB-CG 4.26Å
298	V	94.4	Very high	95.3	Very high	12 Å²	12	43.8 Å²	43.8	7%	0.073	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	118.7	177.3	175.3	0	0	0	0	108.8	V254 V300 I330	V254-V298 PolarHBondContact N-O 3.29Å; V254-V298 PolarHBondContact O-N 3.13Å; V298-V300 HydrophobicContact CG1-CG1 4.28Å; V298-V300 PolarHBondContact O-N 3.48Å; V298-I330 HydrophobicContact CB-CD1 4.18Å; V298-I330 HydrophobicContact CG1-CB 4.31Å; V298-I330 HydrophobicContact CG1-CD1 4.33Å; V298-I330 HydrophobicContact CG1-CG2 3.84Å; V298-I330 HydrophobicContact CG2-CD1 4.19Å
299	E	96.6	Very high	95.4	Very high	143 Å²	143	43.4 Å²	43.4	67%	0.668	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	128.1	172.3	-61.7	-58	148.1	0	0	109.9	A253	A253-E299 WeakPolarHBondContact CB-OE1 3.47Å
300	V	97.8	Very high	95.4	Very high	6 Å²	6	42.9 Å²	42.9	4%	0.036	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	161.6	173.4	-58.9	0	0	0	0	110.1	S251 A252 V254 V298 T304 F306 I330	S251-V300 VanDerWaalsContact CA-O 3.23Å; S251-V300 WeakPolarHBondContact CA-O 3.15Å; A252-V300 PolarHBondContact N-O 3.02Å; A252-V300 WeakPolarHBondContact O-CG2 3.33Å; A252-V300 PolarHBondContact O-N 2.88Å; V254-V300 HydrophobicContact CG2-CB 4.29Å; V254-V300 HydrophobicContact CG2-CG1 3.63Å; V254-V300 HydrophobicContact CG2-CG2 3.66Å; V298-V300 HydrophobicContact CG1-CG1 4.28Å; V298-V300 PolarHBondContact O-N 3.48Å; V300-T304 HydrophobicContact CB-CG2 4.1Å; V300-T304 HydrophobicContact CG1-CG2 3.94Å; V300-F306 HydrophobicContact CB-CZ 4.48Å; V300-F306 HydrophobicContact CG1-CE1 4.44Å; V300-F306 HydrophobicContact CG1-CZ 3.84Å; V300-F306 HydrophobicContact CG2-CZ 4.36Å; V300-I330 HydrophobicContact CG1-CG2 3.6Å
301	V	97.9	Very high	95.5	Very high	87 Å²	87	43.9 Å²	43.9	53%	0.527	25%	0.25	S	C	.	.			trans	-120.1	174.2	170.3	-63.1	0	0	0	0	109.3	S248 G250 D303 T304	S248-V301 PolarHBondContact OG-O 3.05Å; G250-V301 CarbonylContact O-C 3.42Å; G250-V301 VanDerWaalsContact O-C 3.28Å; V301-D303 PolarHBondContact O-N 2.85Å; V301-T304 WeakPolarHBondContact CG2-OG1 3.13Å; V301-T304 PolarHBondContact N-OG1 2.76Å; V301-T304 WeakPolarHBondContact O-CB 3.42Å; V301-T304 PolarHBondContact O-N 3.01Å; V301-T304 PolarHBondContact O-OG1 3.38Å
302	Q	98.3	Very high	95.6	Very high	119 Å²	119	43.9 Å²	43.9	56%	0.556	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51	140	173.3	-167.6	-175.7	-41.7	0	0	111.2	T304	Q302-T304 PolarHBondContact O-N 2.95Å
303	D	98.2	Very high	95.5	Very high	96 Å²	96	47.2 Å²	47.2	51%	0.513	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	16.9	177.5	-46.5	-40.9	0	0	0	114.2	S248 V301 P305	S248-D303 PolarHBondContact O-N 3.28Å; V301-D303 PolarHBondContact O-N 2.85Å; D303-P305 WeakPolarHBondContact O-CD 3.46Å
304	T	98.6	Very high	95.5	Very high	19 Å²	19	48.5 Å²	48.5	12%	0.117	27%	0.274	C	S	.	.			trans	-67.9	122.5	171.4	-56.8	0	0	0	0	108.8	E247 S248 V300 V301 Q302 F306 I330	E247-T304 WeakPolarHBondContact CA-O 3.23Å; S248-T304 PolarHBondContact N-O 2.82Å; S248-T304 VanDerWaalsContact N-O 3.09Å; S248-T304 WeakPolarHBondContact OG-CA 3.49Å; S248-T304 VanDerWaalsContact OG-CB 3.26Å; S248-T304 WeakPolarHBondContact OG-CB 3.46Å; S248-T304 PolarHBondContact OG-N 2.86Å; S248-T304 PolarHBondContact OG-O 2.91Å; V300-T304 HydrophobicContact CB-CG2 4.1Å; V300-T304 HydrophobicContact CG1-CG2 3.94Å; V301-T304 WeakPolarHBondContact CG2-OG1 3.13Å; V301-T304 PolarHBondContact N-OG1 2.76Å; V301-T304 WeakPolarHBondContact O-CB 3.42Å; V301-T304 PolarHBondContact O-N 3.01Å; V301-T304 PolarHBondContact O-OG1 3.38Å; Q302-T304 PolarHBondContact O-N 2.95Å; T304-F306 WeakPolarHBondContact O-CD2 3.09Å; T304-F306 WeakPolarHBondContact O-CE2 3.42Å; T304-I330 HydrophobicContact CG2-CG2 4.18Å
305	P	98.1	Very high	95.3	Very high	65 Å²	65	49.3 Å²	49.3	42%	0.422	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	139.2	-177.1	30.2	-35.4	0	0	0	111.5	D303 G331	D303-P305 WeakPolarHBondContact O-CD 3.46Å; P305-G331 PolarHBondContact O-N 3.06Å
306	F	98.3	Very high	95.2	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.009	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131.3	166.3	-59.4	-103.7	0	0	0	107.7	P167 F244 T245 C246 V254 F257 V300 T304 T329 I330	P167-F306 HydrophobicContact CB-CD1 3.94Å; P167-F306 HydrophobicContact CB-CE1 3.57Å; P167-F306 HydrophobicContact CB-CZ 3.89Å; P167-F306 HydrophobicContact CG-CD1 4Å; P167-F306 HydrophobicContact CG-CD2 4.1Å; P167-F306 HydrophobicContact CG-CE1 3.87Å; P167-F306 HydrophobicContact CG-CE2 3.99Å; P167-F306 HydrophobicContact CG-CG 4.11Å; P167-F306 HydrophobicContact CG-CZ 3.86Å; F244-F306 HydrophobicContact CE2-CB 4.38Å; T245-F306 CarbonylContact C-O 3.59Å; T245-F306 VanDerWaalsContact CA-O 3.25Å; T245-F306 WeakPolarHBondContact CA-O 3.41Å; C246-F306 PolarHBondContact N-O 3.21Å; C246-F306 PolarHBondContact O-N 3.39Å; V254-F306 HydrophobicContact CG1-CE1 4.19Å; V254-F306 HydrophobicContact CG2-CE1 3.82Å; V254-F306 HydrophobicContact CG2-CZ 3.66Å; F257-F306 HydrophobicContact CE1-CD1 4.25Å; F257-F306 HydrophobicContact CZ-CD1 4.5Å; V300-F306 HydrophobicContact CB-CZ 4.48Å; V300-F306 HydrophobicContact CG1-CE1 4.44Å; V300-F306 HydrophobicContact CG1-CZ 3.84Å; V300-F306 HydrophobicContact CG2-CZ 4.36Å; T304-F306 WeakPolarHBondContact O-CD2 3.09Å; T304-F306 WeakPolarHBondContact O-CE2 3.42Å; F306-T329 WeakPolarHBondContact CA-O 3.25Å; F306-I330 HydrophobicContact CD1-CB 4.41Å; F306-I330 HydrophobicContact CD1-CD1 4.27Å; F306-I330 HydrophobicContact CD1-CG1 3.81Å; F306-I330 HydrophobicContact CD1-CG2 4.08Å; F306-I330 HydrophobicContact CE1-CB 4.41Å; F306-I330 HydrophobicContact CE1-CD1 4.04Å; F306-I330 HydrophobicContact CE1-CG1 3.97Å; F306-I330 HydrophobicContact CE1-CG2 3.68Å; F306-I330 HydrophobicContact CZ-CG2 4.12Å
307	S	98.1	Very high	95	Very high	49 Å²	49	53.2 Å²	53.2	34%	0.343	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	154.4	173.6	59.2	0	0	0	0	111	F244 Y328 T329	F244-S307 WeakPolarHBondContact O-CA 3.35Å; S307-Y328 CarbonylContact O-C 3.45Å; S307-Y328 WeakPolarHBondContact O-CA 3.34Å; S307-T329 PolarHBondContact N-O 3.2Å; S307-T329 PolarHBondContact O-N 2.57Å
308	G	97.9	Very high	94.6	Very high	17 Å²	17	50.8 Å²	50.8	18%	0.175	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.5	-172.4	-176.8	0	0	0	0	0	114.4	R243 F244 D327	R243-G308 CarbonylContact C-O 3.56Å; R243-G308 VanDerWaalsContact CA-O 3.23Å; R243-G308 WeakPolarHBondContact CA-O 3.23Å; F244-G308 PolarHBondContact N-O 3.38Å; F244-G308 PolarHBondContact O-N 3.26Å; F244-G308 VanDerWaalsContact O-N 3.09Å; G308-D327 CarbonylContact C-O 3.6Å; G308-D327 WeakPolarHBondContact CA-O 3.26Å
309	E	98.5	Very high	94.1	Very high	56 Å²	56	53 Å²	53	26%	0.262	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	133.9	171.4	-174.3	164.4	99.2	0	0	109.4	R243 D327	R243-E309 HydrophobicContact CG-CB 4.21Å; R243-E309 HydrophobicContact CG-CG 4.38Å; E309-D327 PolarHBondContact N-O 2.74Å; E309-D327 PolarHBondContact O-N 3.34Å
310	V	98.4	Very high	93.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	136.9	172.4	-176.5	0	0	0	0	108	I165 F224 K241 G242 F244 M312 I324 H325 V326	I165-V310 HydrophobicContact CB-CG2 4.46Å; I165-V310 HydrophobicContact CD1-CG2 3.5Å; I165-V310 VanDerWaalsContact CD1-CG2 3.5Å; I165-V310 HydrophobicContact CG2-CG2 4.2Å; F224-V310 HydrophobicContact CD1-CB 4.39Å; F224-V310 HydrophobicContact CD1-CG2 4.31Å; F224-V310 HydrophobicContact CD2-CB 3.83Å; F224-V310 HydrophobicContact CD2-CG1 4.11Å; F224-V310 HydrophobicContact CE1-CB 4.48Å; F224-V310 HydrophobicContact CE1-CG1 4.2Å; F224-V310 HydrophobicContact CE2-CB 3.96Å; F224-V310 HydrophobicContact CE2-CG1 3.69Å; F224-V310 HydrophobicContact CG-CB 4.05Å; F224-V310 HydrophobicContact CG-CG2 4.29Å; F224-V310 HydrophobicContact CZ-CB 4.27Å; F224-V310 HydrophobicContact CZ-CG1 3.72Å; K241-V310 CarbonylContact C-O 3.59Å; K241-V310 WeakPolarHBondContact CA-O 3.48Å; K241-V310 WeakPolarHBondContact CB-O 3.23Å; G242-V310 PolarHBondContact N-O 2.92Å; G242-V310 PolarHBondContact O-N 3.17Å; F244-V310 HydrophobicContact CD1-CG2 3.72Å; F244-V310 HydrophobicContact CE1-CG2 3.87Å; V310-M312 HydrophobicContact CG1-CG 4.44Å; V310-I324 HydrophobicContact CG1-CG2 3.87Å; V310-H325 CarbonylContact C-O 3.57Å; V310-H325 WeakPolarHBondContact CA-O 3.46Å; V310-V326 HydrophobicContact CG2-CG1 4.43Å
311	S	97.8	Very high	93.1	Very high	22 Å²	22	49.5 Å²	49.5	15%	0.154	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	129.2	171.8	-66.9	0	0	0	0	110.5	V240 K241 I324 H325	V240-S311 CarbonylContact O-C 3.51Å; V240-S311 WeakPolarHBondContact O-CA 3.49Å; K241-S311 WeakPolarHBondContact CB-OG 3.43Å; S311-I324 CarbonylContact O-C 3.48Å; S311-I324 WeakPolarHBondContact O-CA 3.49Å; S311-H325 PolarHBondContact N-O 3.38Å; S311-H325 PolarHBondContact O-N 2.85Å
312	M	96.9	Very high	92.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129	175.6	-55.9	-174	64.4	0	0	109.7	A132 L134 L163 F224 V240 V310 I322 C323 I324	A132-M312 HydrophobicContact CB-CE 4Å; A132-M312 WeakPolarHBondContact O-CE 3.43Å; L134-M312 HydrophobicContact CB-CE 4.43Å; L134-M312 HydrophobicContact CD1-CB 4.39Å; L134-M312 HydrophobicContact CD1-CE 4.42Å; L163-M312 HydrophobicContact CD1-SD 3.64Å; L163-M312 HydrophobicContact CD2-SD 4.06Å; L163-M312 HydrophobicContact CG-SD 4.46Å; F224-M312 HydrophobicContact CE2-CG 4.35Å; F224-M312 HydrophobicContact CE2-SD 4.11Å; F224-M312 HydrophobicContact CZ-CG 4.45Å; F224-M312 HydrophobicContact CZ-SD 3.82Å; V240-M312 HydrophobicContact CB-CB 4.38Å; V240-M312 PolarHBondContact N-O 3.09Å; V240-M312 PolarHBondContact O-N 3.01Å; V310-M312 HydrophobicContact CG1-CG 4.44Å; M312-I322 HydrophobicContact CB-CG1 4.36Å; M312-I322 HydrophobicContact CE-CG1 4Å; M312-C323 WeakPolarHBondContact CA-O 3.18Å; M312-I324 HydrophobicContact CE-CD1 3.96Å; M312-I324 HydrophobicContact CE-CG1 3.96Å; M312-I324 HydrophobicContact CG-CG1 4.16Å; M312-I324 HydrophobicContact CG-CG2 4.48Å
313	F	94.9	Very high	92.6	Very high	69 Å²	69	40.4 Å²	40.4	30%	0.303	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	153.3	-176.8	52.3	-88.9	0	0	0	111.5	R238 I322 C323 H325 T339	R238-F313 WeakPolarHBondContact O-CA 3.31Å; R238-F313 WeakPolarHBondContact O-CB 3.48Å; F313-I322 WeakPolarHBondContact O-CD1 3.42Å; F313-C323 HydrophobicContact CD2-CB 3.9Å; F313-C323 HydrophobicContact CE1-CB 4.44Å; F313-C323 HydrophobicContact CE2-CB 3.52Å; F313-C323 HydrophobicContact CG-CB 4.5Å; F313-C323 HydrophobicContact CZ-CB 3.83Å; F313-C323 PolarHBondContact N-O 2.79Å; F313-C323 PolarHBondContact O-N 2.91Å; F313-H325 HydrophobicContact CE1-CB 3.8Å; F313-H325 HydrophobicContact CZ-CB 4.34Å; F313-T339 HydrophobicContact CZ-CG2 4.24Å
314	P	92.2	Very high	92.6	Very high	39 Å²	39	35.8 Å²	35.8	25%	0.253	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	146.7	176.1	-18.6	30.6	0	0	0	112	R238 H321	R238-P314 WeakPolarHBondContact O-CD 3.36Å; P314-H321 CarbonylContact C-O 3.53Å; P314-H321 WeakPolarHBondContact CA-O 3.13Å
315	S	88.7	Confident	92.5	Very high	22 Å²	22	36.9 Å²	36.9	15%	0.154	20%	0.204	C	C	.	.			trans	-69.3	156.6	176.7	86.8	0	0	0	0	111.9	D317 S318 H321 C323	S315-D317 PolarHBondContact O-N 3.41Å; S315-S318 PolarHBondContact N-O 2.95Å; S315-S318 PolarHBondContact OG-N 2.83Å; S315-S318 PolarHBondContact OG-O 3.27Å; S315-H321 PolarHBondContact N-O 2.98Å; S315-C323 VanDerWaalsContact CB-SG 3.58Å
316	E	83.8	Confident	92.5	Very high	175 Å²	175	33.8 Å²	33.8	82%	0.818	18%	0.184	S	C	*	.	S	Bend	trans	-64.9	-32.1	177.2	-64.8	-169.8	170.1	0	0	112.4	K9	K9-E316 WeakPolarHBondContact CE-O 3.47Å; K9-E316 PolarHBondContact NZ-O 2.94Å
317	D	80.3	Confident	92.5	Very high	60 Å²	60	35.4 Å²	35.4	32%	0.321	19%	0.193	S	C	.	.	S	Bend	trans	-80.2	-39.2	-176.4	-72.9	-30.5	0	0	0	112.2	Q15 S315	Q15-D317 PolarHBondContact NE2-O 3.46Å; S315-D317 PolarHBondContact O-N 3.41Å
318	S	81.9	Confident	92.5	Very high	8 Å²	8	33.3 Å²	33.3	6%	0.056	18%	0.178	C	C	.	.			trans	-143.1	122.8	-176	173.7	0	0	0	0	111.4	Q15 S315 R320 H321	Q15-S318 PolarHBondContact OE1-OG 3.09Å; S315-S318 PolarHBondContact N-O 2.95Å; S315-S318 PolarHBondContact OG-N 2.83Å; S315-S318 PolarHBondContact OG-O 3.27Å; S318-R320 PolarHBondContact O-N 2.84Å; S318-R320 VanDerWaalsContact O-N 3.13Å; S318-R320 PolarHBondContact OG-N 3.17Å; S318-H321 PolarHBondContact O-N 3.35Å; S318-H321 VanDerWaalsContact O-N 3.09Å; S318-H321 PolarHBondContact OG-N 2.67Å
319	S	83.3	Confident	92.5	Very high	60 Å²	60	34 Å²	34	42%	0.42	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-8.4	175.7	57	0	0	0	0	113.2	S137	S137-S319 WeakPolarHBondContact CB-O 3.43Å; S137-S319 PolarHBondContact OG-O 3.1Å
320	R	84.4	Confident	92.5	Very high	30 Å²	30	31.6 Å²	31.6	11%	0.113	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-13.3	175.2	-65.8	-173.9	173	-91	8.9	112.4	D16 Y19 H135 E136 S318	D16-R320 IonicContact OD1-CZ 3.6Å; D16-R320 IonicContact OD1-NE 2.76Å; D16-R320 PolarHBondContact OD1-NE 2.99Å; D16-R320 IonicContact OD1-NH2 3.42Å; D16-R320 PolarHBondContact OD1-NH2 2.95Å; Y19-R320 VanDerWaalsContact CD1-CZ 3.49Å; Y19-R320 VanDerWaalsContact CD1-NH1 3.32Å; H135-R320 PolarHBondContact ND1-O 2.83Å; H135-R320 VanDerWaalsContact ND1-O 3.16Å; E136-R320 VanDerWaalsContact CA-O 3.27Å; E136-R320 WeakPolarHBondContact CA-O 3.41Å; E136-R320 PolarHBondContact N-O 2.91Å; E136-R320 PolarHBondContact O-NH1 3.44Å; S318-R320 PolarHBondContact O-N 2.84Å; S318-R320 VanDerWaalsContact O-N 3.13Å; S318-R320 PolarHBondContact OG-N 3.17Å
321	H	88.9	Confident	92.3	Very high	44 Å²	44	32.8 Å²	32.8	20%	0.204	18%	0.18	C	C	.	.	S	Bend	trans	-95.1	132.1	175.4	-64	176.6	0	0	0	109.2	H135 P314 S315 S318 D344	H135-H321 AromaticContact CE1-CD2 3.61Å; P314-H321 CarbonylContact C-O 3.53Å; P314-H321 WeakPolarHBondContact CA-O 3.13Å; S315-H321 PolarHBondContact N-O 2.98Å; S318-H321 PolarHBondContact O-N 3.35Å; S318-H321 VanDerWaalsContact O-N 3.09Å; S318-H321 PolarHBondContact OG-N 2.67Å; H321-D344 IonicContact CE1-OD1 3.24Å; H321-D344 IonicContact CE1-OD2 3.7Å
322	I	91.3	Very high	92.1	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	139.4	179.7	-156.6	73.5	0	0	0	109.6	L134 H135 I207 M312 F313 I342	L134-I322 HydrophobicContact CB-CD1 3.85Å; L134-I322 HydrophobicContact CB-CG1 4.19Å; H135-I322 HydrophobicContact CB-CG2 4.21Å; I207-I322 HydrophobicContact CD1-CG2 4.42Å; M312-I322 HydrophobicContact CB-CG1 4.36Å; M312-I322 HydrophobicContact CE-CG1 4Å; F313-I322 WeakPolarHBondContact O-CD1 3.42Å; I322-I342 HydrophobicContact CG2-CD1 4.16Å
323	C	94.8	Very high	92	Very high	13 Å²	13	45.4 Å²	45.4	9%	0.088	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	143.1	166.3	-64.6	0	0	0	0	108.9	M312 F313 S315 T339 F340	M312-C323 WeakPolarHBondContact CA-O 3.18Å; F313-C323 HydrophobicContact CD2-CB 3.9Å; F313-C323 HydrophobicContact CE1-CB 4.44Å; F313-C323 HydrophobicContact CE2-CB 3.52Å; F313-C323 HydrophobicContact CG-CB 4.5Å; F313-C323 HydrophobicContact CZ-CB 3.83Å; F313-C323 PolarHBondContact N-O 2.79Å; F313-C323 PolarHBondContact O-N 2.91Å; S315-C323 VanDerWaalsContact CB-SG 3.58Å; C323-T339 HydrophobicContact CB-CG2 4.38Å; C323-F340 CarbonylContact C-O 3.39Å; C323-F340 WeakPolarHBondContact CA-O 3.48Å
324	I	96.9	Very high	92	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	119.4	172.8	-55.8	177.8	0	0	0	107.4	A132 I207 L292 V310 S311 M312 V326 T339 F340	A132-I324 HydrophobicContact CB-CD1 4.05Å; I207-I324 HydrophobicContact CD1-CB 4.29Å; I207-I324 HydrophobicContact CD1-CD1 3.8Å; I207-I324 HydrophobicContact CD1-CG1 3.74Å; L292-I324 HydrophobicContact CD1-CB 4.47Å; L292-I324 HydrophobicContact CD1-CG2 3.85Å; L292-I324 HydrophobicContact CD2-CD1 4.25Å; V310-I324 HydrophobicContact CG1-CG2 3.87Å; S311-I324 CarbonylContact O-C 3.48Å; S311-I324 WeakPolarHBondContact O-CA 3.49Å; M312-I324 HydrophobicContact CE-CD1 3.96Å; M312-I324 HydrophobicContact CE-CG1 3.96Å; M312-I324 HydrophobicContact CG-CG1 4.16Å; M312-I324 HydrophobicContact CG-CG2 4.48Å; I324-V326 HydrophobicContact CG2-CG2 4Å; I324-T339 CarbonylContact O-C 3.53Å; I324-T339 WeakPolarHBondContact O-CA 3.41Å; I324-F340 PolarHBondContact N-O 2.9Å; I324-F340 WeakPolarHBondContact O-CD2 3.18Å; I324-F340 PolarHBondContact O-N 2.81Å
325	H	97.4	Very high	92.2	Very high	41 Å²	41	55.5 Å²	55.5	19%	0.19	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	134.2	170.4	-173.8	78.3	0	0	0	109.3	V310 S311 F313 D327 K338 T339	V310-H325 CarbonylContact C-O 3.57Å; V310-H325 WeakPolarHBondContact CA-O 3.46Å; S311-H325 PolarHBondContact N-O 3.38Å; S311-H325 PolarHBondContact O-N 2.85Å; F313-H325 HydrophobicContact CE1-CB 3.8Å; F313-H325 HydrophobicContact CZ-CB 4.34Å; H325-D327 IonicContact CD2-OD2 3.51Å; H325-D327 IonicContact NE2-OD1 3.28Å; H325-D327 PolarHBondContact NE2-OD1 2.8Å; H325-D327 IonicContact NE2-OD2 3.46Å; H325-D327 PolarHBondContact NE2-OD2 3.43Å; H325-K338 WeakPolarHBondContact CA-O 2.98Å; H325-T339 PolarHBondContact ND1-OG1 2.95Å
326	V	98	Very high	92.6	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	116.1	177.9	-170.1	0	0	0	0	108.4	I165 F244 F257 L292 V310 I324 Y328 S337 K338 F340	I165-V326 HydrophobicContact CD1-CG1 4.37Å; F244-V326 HydrophobicContact CE1-CG1 4.08Å; F244-V326 HydrophobicContact CZ-CG1 4.32Å; F257-V326 HydrophobicContact CD2-CG1 4.45Å; F257-V326 HydrophobicContact CE2-CG1 4.38Å; L292-V326 HydrophobicContact CD1-CG2 3.87Å; V310-V326 HydrophobicContact CG2-CG1 4.43Å; I324-V326 HydrophobicContact CG2-CG2 4Å; V326-Y328 HydrophobicContact CG1-CD1 4.13Å; V326-S337 WeakPolarHBondContact O-CA 3.34Å; V326-K338 PolarHBondContact N-O 3.05Å; V326-K338 PolarHBondContact O-N 2.98Å; V326-F340 HydrophobicContact CG2-CE2 4.27Å
327	D	98.1	Very high	93.2	Very high	37 Å²	37	52.6 Å²	52.6	20%	0.198	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	124.3	160.5	-64.9	-61.4	0	0	0	107.2	G308 E309 H325 Q336 S337	G308-D327 CarbonylContact C-O 3.6Å; G308-D327 WeakPolarHBondContact CA-O 3.26Å; E309-D327 PolarHBondContact N-O 2.74Å; E309-D327 PolarHBondContact O-N 3.34Å; H325-D327 IonicContact CD2-OD2 3.51Å; H325-D327 IonicContact NE2-OD1 3.28Å; H325-D327 PolarHBondContact NE2-OD1 2.8Å; H325-D327 IonicContact NE2-OD2 3.46Å; H325-D327 PolarHBondContact NE2-OD2 3.43Å; D327-Q336 WeakPolarHBondContact CA-O 3.4Å; D327-S337 WeakPolarHBondContact OD1-CB 3.5Å; D327-S337 PolarHBondContact OD1-OG 2.79Å
328	Y	97.9	Very high	93.9	Very high	5 Å²	5	50.3 Å²	50.3	2%	0.02	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	147.6	-174.5	67	-82.2	0	0	0	113.3	F257 L294 S307 V326 I330 Q336	F257-Y328 HydrophobicContact CE2-CD1 4.06Å; F257-Y328 AromaticContact CE2-CD2 3.86Å; F257-Y328 HydrophobicContact CE2-CD2 3.86Å; F257-Y328 HydrophobicContact CE2-CE2 4.37Å; F257-Y328 AromaticContact CE2-CG 3.69Å; F257-Y328 HydrophobicContact CE2-CG 3.69Å; F257-Y328 HydrophobicContact CZ-CD2 4.02Å; F257-Y328 HydrophobicContact CZ-CG 4.01Å; L294-Y328 HydrophobicContact CD1-CE2 4.46Å; L294-Y328 HydrophobicContact CD2-CE1 4.24Å; L294-Y328 HydrophobicContact CD2-CE2 4.02Å; S307-Y328 CarbonylContact O-C 3.45Å; S307-Y328 WeakPolarHBondContact O-CA 3.34Å; V326-Y328 HydrophobicContact CG1-CD1 4.13Å; Y328-I330 HydrophobicContact CD2-CD1 4Å; Y328-I330 HydrophobicContact CD2-CG1 3.94Å; Y328-I330 HydrophobicContact CE2-CD1 4.01Å; Y328-I330 HydrophobicContact CE2-CG1 4.37Å; Y328-Q336 HydrophobicContact CD1-CB 4.37Å; Y328-Q336 WeakPolarHBondContact CD1-O 3.49Å; Y328-Q336 HydrophobicContact CE1-CB 3.77Å; Y328-Q336 HydrophobicContact CE2-CB 3.95Å; Y328-Q336 PolarHBondContact N-O 3.23Å; Y328-Q336 PolarHBondContact O-N 2.75Å; Y328-Q336 PolarHBondContact OH-OE1 3.3Å
329	T	98.2	Very high	94.5	Very high	32 Å²	32	52.8 Å²	52.8	20%	0.196	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	131.5	171.7	-62.7	0	0	0	0	108.7	F306 S307 Q333	F306-T329 WeakPolarHBondContact CA-O 3.25Å; S307-T329 PolarHBondContact N-O 3.2Å; S307-T329 PolarHBondContact O-N 2.57Å; T329-Q333 WeakPolarHBondContact CG2-O 3.43Å
330	I	97.7	Very high	95.1	Very high	4 Å²	4	50 Å²	50	2%	0.021	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	115	178.2	-52.7	177.3	0	0	0	108.2	L294 V298 V300 T304 F306 Y328 E332 Q333	L294-I330 HydrophobicContact CD1-CD1 4.03Å; V298-I330 HydrophobicContact CB-CD1 4.18Å; V298-I330 HydrophobicContact CG1-CB 4.31Å; V298-I330 HydrophobicContact CG1-CD1 4.33Å; V298-I330 HydrophobicContact CG1-CG2 3.84Å; V298-I330 HydrophobicContact CG2-CD1 4.19Å; V300-I330 HydrophobicContact CG1-CG2 3.6Å; T304-I330 HydrophobicContact CG2-CG2 4.18Å; F306-I330 HydrophobicContact CD1-CB 4.41Å; F306-I330 HydrophobicContact CD1-CD1 4.27Å; F306-I330 HydrophobicContact CD1-CG1 3.81Å; F306-I330 HydrophobicContact CD1-CG2 4.08Å; F306-I330 HydrophobicContact CE1-CB 4.41Å; F306-I330 HydrophobicContact CE1-CD1 4.04Å; F306-I330 HydrophobicContact CE1-CG1 3.97Å; F306-I330 HydrophobicContact CE1-CG2 3.68Å; F306-I330 HydrophobicContact CZ-CG2 4.12Å; Y328-I330 HydrophobicContact CD2-CD1 4Å; Y328-I330 HydrophobicContact CD2-CG1 3.94Å; Y328-I330 HydrophobicContact CE2-CD1 4.01Å; Y328-I330 HydrophobicContact CE2-CG1 4.37Å; I330-E332 PolarHBondContact O-N 3.01Å; I330-Q333 VanDerWaalsContact O-CB 3.32Å; I330-Q333 WeakPolarHBondContact O-CB 3.35Å; I330-Q333 WeakPolarHBondContact O-CG 3.38Å; I330-Q333 PolarHBondContact O-N 3.45Å
331	G	95.7	Very high	95.4	Very high	25 Å²	25	50.8 Å²	50.8	26%	0.258	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	-130	-176.2	0	0	0	0	0	112.5	P305 Q333	P305-G331 PolarHBondContact O-N 3.06Å; G331-Q333 VanDerWaalsContact C-N 3.35Å
332	E	93.1	Very high	95	Very high	205 Å²	205	49.6 Å²	49.6	96%	0.958	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	9.2	178.8	-58.9	-173.1	166.1	0	0	113.5	I330	I330-E332 PolarHBondContact O-N 3.01Å
333	Q	93.9	Very high	94	Very high	82 Å²	82	50.8 Å²	50.8	38%	0.383	27%	0.265	S	S	.	.	S	Bend	trans	-68.2	160.5	179.2	-63	-170.8	6.1	0	0	111.5	T329 I330 G331	T329-Q333 WeakPolarHBondContact CG2-O 3.43Å; I330-Q333 VanDerWaalsContact O-CB 3.32Å; I330-Q333 WeakPolarHBondContact O-CB 3.35Å; I330-Q333 WeakPolarHBondContact O-CG 3.38Å; I330-Q333 PolarHBondContact O-N 3.45Å; G331-Q333 VanDerWaalsContact C-N 3.35Å
334	K	95.1	Very high	92.4	Very high	187 Å²	187	52.7 Å²	52.7	81%	0.813	27%	0.274	S	S	*	.	P	Polyproline II helix	trans	-66.7	148.8	170.3	-67.4	-176.6	179.2	-179.9	0	109.7	Q336	K334-Q336 PolarHBondContact O-N 3.03Å
335	E	96.9	Very high	90.2	Very high	133 Å²	133	63.7 Å²	63.7	62%	0.621	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-54.3	136.2	170	-174.2	175.2	72.6	0	0	110.4
336	Q	96.7	Very high	87.5	Confident	68 Å²	68	66.1 Å²	66.1	32%	0.318	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	151.6	175.8	-65.8	-178.5	59.9	0	0	108.7	D327 Y328 K334	D327-Q336 WeakPolarHBondContact CA-O 3.4Å; Y328-Q336 HydrophobicContact CD1-CB 4.37Å; Y328-Q336 WeakPolarHBondContact CD1-O 3.49Å; Y328-Q336 HydrophobicContact CE1-CB 3.77Å; Y328-Q336 HydrophobicContact CE2-CB 3.95Å; Y328-Q336 PolarHBondContact N-O 3.23Å; Y328-Q336 PolarHBondContact O-N 2.75Å; Y328-Q336 PolarHBondContact OH-OE1 3.3Å; K334-Q336 PolarHBondContact O-N 3.03Å
337	S	96.7	Very high	84.7	Confident	68 Å²	68	68.6 Å²	68.6	48%	0.476	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	134.7	-179.5	-48.8	0	0	0	0	109.2	V326 D327	V326-S337 WeakPolarHBondContact O-CA 3.34Å; D327-S337 WeakPolarHBondContact OD1-CB 3.5Å; D327-S337 PolarHBondContact OD1-OG 2.79Å
338	K	95.3	Very high	81.4	Confident	12 Å²	12	75.3 Å²	75.3	5%	0.052	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	135.7	174.6	-170.2	165.2	174.5	178.6	0	111.1	K203 Y293 D295 H325 V326 F340	K203-K338 PolarHBondContact O-NZ 3.35Å; Y293-K338 PolarHBondContact O-NZ 2.75Å; D295-K338 WeakPolarHBondContact OD1-CE 3.18Å; D295-K338 IonicContact OD1-NZ 3.04Å; D295-K338 PolarHBondContact OD1-NZ 2.84Å; H325-K338 WeakPolarHBondContact CA-O 2.98Å; V326-K338 PolarHBondContact N-O 3.05Å; V326-K338 PolarHBondContact O-N 2.98Å; K338-F340 HydrophobicContact CB-CE2 3.78Å; K338-F340 HydrophobicContact CB-CZ 3.88Å; K338-F340 HydrophobicContact CD-CE1 3.7Å; K338-F340 HydrophobicContact CD-CE2 4.19Å; K338-F340 HydrophobicContact CD-CZ 3.45Å; K338-F340 VanDerWaalsContact CD-CZ 3.45Å; K338-F340 HydrophobicContact CG-CD2 4.36Å; K338-F340 HydrophobicContact CG-CE1 3.98Å; K338-F340 HydrophobicContact CG-CE2 3.75Å; K338-F340 HydrophobicContact CG-CZ 3.54Å
339	T	95.3	Very high	78	Confident	60 Å²	60	80.9 Å²	80.9	37%	0.368	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	136	171.4	-51.9	0	0	0	0	109.3	S205 F313 C323 I324 H325	S205-T339 WeakPolarHBondContact CB-O 3.23Å; S205-T339 PolarHBondContact OG-O 3.09Å; F313-T339 HydrophobicContact CZ-CG2 4.24Å; C323-T339 HydrophobicContact CB-CG2 4.38Å; I324-T339 CarbonylContact O-C 3.53Å; I324-T339 WeakPolarHBondContact O-CA 3.41Å; H325-T339 PolarHBondContact ND1-OG1 2.95Å
340	F	94.3	Very high	74.7	Confident	2 Å²	2	86.4 Å²	86.4	1%	0.009	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	147.6	178.4	-54.4	-94.7	0	0	0	110	S205 I207 L292 Y293 C323 I324 V326 K338	S205-F340 CarbonylContact O-C 3.58Å; S205-F340 WeakPolarHBondContact O-CA 3.29Å; I207-F340 HydrophobicContact CD1-CB 4.27Å; I207-F340 HydrophobicContact CG1-CB 3.56Å; L292-F340 HydrophobicContact CB-CD1 4.11Å; L292-F340 HydrophobicContact CB-CD2 4.1Å; L292-F340 HydrophobicContact CB-CE1 3.84Å; L292-F340 HydrophobicContact CB-CE2 3.86Å; L292-F340 HydrophobicContact CB-CG 4.23Å; L292-F340 HydrophobicContact CB-CZ 3.7Å; L292-F340 HydrophobicContact CD1-CD2 4.25Å; L292-F340 HydrophobicContact CD1-CE2 4.4Å; L292-F340 HydrophobicContact CD2-CB 3.92Å; L292-F340 HydrophobicContact CD2-CD1 4.19Å; L292-F340 HydrophobicContact CD2-CD2 4.1Å; L292-F340 HydrophobicContact CD2-CG 3.82Å; L292-F340 HydrophobicContact CG-CD2 4.39Å; L292-F340 HydrophobicContact CG-CG 4.49Å; Y293-F340 VanDerWaalsContact O-CE1 3.3Å; Y293-F340 WeakPolarHBondContact O-CE1 3.15Å; C323-F340 CarbonylContact C-O 3.39Å; C323-F340 WeakPolarHBondContact CA-O 3.48Å; I324-F340 PolarHBondContact N-O 2.9Å; I324-F340 WeakPolarHBondContact O-CD2 3.18Å; I324-F340 PolarHBondContact O-N 2.81Å; V326-F340 HydrophobicContact CG2-CE2 4.27Å; K338-F340 HydrophobicContact CB-CE2 3.78Å; K338-F340 HydrophobicContact CB-CZ 3.88Å; K338-F340 HydrophobicContact CD-CE1 3.7Å; K338-F340 HydrophobicContact CD-CE2 4.19Å; K338-F340 HydrophobicContact CD-CZ 3.45Å; K338-F340 VanDerWaalsContact CD-CZ 3.45Å; K338-F340 HydrophobicContact CG-CD2 4.36Å; K338-F340 HydrophobicContact CG-CE1 3.98Å; K338-F340 HydrophobicContact CG-CE2 3.75Å; K338-F340 HydrophobicContact CG-CZ 3.54Å
341	S	90.9	Very high	71.7	Confident	46 Å²	46	95.6 Å²	95.6	32%	0.322	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	149.6	175.4	53.7	0	0	0	0	110.6	S205 D206 I207	S205-S341 PolarHBondContact O-N 2.71Å; D206-S341 CarbonylContact C-O 3.32Å; D206-S341 VanDerWaalsContact CA-O 3.25Å; D206-S341 WeakPolarHBondContact CA-O 3.35Å; I207-S341 PolarHBondContact N-O 2.83Å
342	I	81.9	Confident	70.5	Confident	20 Å²	20	99.2 Å²	99.2	10%	0.103	52%	0.517	C	S	.	.			trans	-66.6	131.3	171.6	-71.9	167.7	0	0	0	109.1	H135 I207 I322 D344	H135-I342 HydrophobicContact CB-CD1 3.84Å; H135-I342 VanDerWaalsContact ND1-CD1 3.31Å; H135-I342 WeakPolarHBondContact ND1-CD1 3.32Å; I207-I342 HydrophobicContact CB-CG1 3.82Å; I207-I342 HydrophobicContact CD1-CG1 4.06Å; I207-I342 HydrophobicContact CG1-CG1 4.45Å; I207-I342 HydrophobicContact CG2-CG1 4.14Å; I322-I342 HydrophobicContact CG2-CD1 4.16Å; I342-D344 PolarHBondContact O-N 2.94Å
343	P	69.4	Low	69.3	Low	26 Å²	26	93.6 Å²	93.6	17%	0.169	49%	0.494	C	S	.	.			trans	-59.5	131.1	179.2	11.9	-19.6	0	0	0	111	D206 W345	D206-P343 HydrophobicContact CB-CG 4.19Å; D206-P343 WeakPolarHBondContact OD2-CB 3.39Å; P343-W345 HydrophobicContact CB-CZ2 4.33Å; P343-W345 HydrophobicContact CG-CZ2 3.91Å; P343-W345 VanDerWaalsContact O-CD1 3.23Å; P343-W345 PolarHBondContact O-N 3.16Å; P343-W345 VanDerWaalsContact O-N 3.09Å
344	D	60.9	Low	67.9	Low	54 Å²	54	94.2 Å²	94.2	29%	0.289	50%	0.5	S	S	.	.			trans	-82.1	87.7	176.7	-164.9	-9	0	0	0	109.4	H321 I342 T346 A347	H321-D344 IonicContact CE1-OD1 3.24Å; H321-D344 IonicContact CE1-OD2 3.7Å; I342-D344 PolarHBondContact O-N 2.94Å; D344-T346 PolarHBondContact O-N 2.55Å; D344-T346 VanDerWaalsContact O-N 3.07Å; D344-T346 PolarHBondContact OD1-N 3.28Å; D344-T346 PolarHBondContact OD1-OG1 3.18Å; D344-A347 HydrophobicContact CB-CB 4.23Å; D344-A347 WeakPolarHBondContact O-CB 3.43Å; D344-A347 PolarHBondContact O-N 3.42Å; D344-A347 VanDerWaalsContact O-N 3.12Å
345	W	50.9	Low	66.3	Low	231 Å²	231	88.8 Å²	88.8	88%	0.875	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-9.3	177.7	-57.6	99.1	0	0	0	113.3	P343	P343-W345 HydrophobicContact CB-CZ2 4.33Å; P343-W345 HydrophobicContact CG-CZ2 3.91Å; P343-W345 VanDerWaalsContact O-CD1 3.23Å; P343-W345 PolarHBondContact O-N 3.16Å; P343-W345 VanDerWaalsContact O-N 3.09Å
346	T	40.6	Very low	64.4	Low	91 Å²	91	86 Å²	86	56%	0.558	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-6.9	177.8	73.7	0	0	0	0	113.6	D344 E348	D344-T346 PolarHBondContact O-N 2.55Å; D344-T346 VanDerWaalsContact O-N 3.07Å; D344-T346 PolarHBondContact OD1-N 3.28Å; D344-T346 PolarHBondContact OD1-OG1 3.18Å; T346-E348 PolarHBondContact O-N 3.46Å; T346-E348 VanDerWaalsContact O-N 3.15Å
347	A	38.5	Very low	62.3	Low	52 Å²	52	87.2 Å²	87.2	43%	0.43	48%	0.484	S	S	.	.	S	Bend	trans	-70.7	110.2	174	0	0	0	0	0	109.1	D344	D344-A347 HydrophobicContact CB-CB 4.23Å; D344-A347 WeakPolarHBondContact O-CB 3.43Å; D344-A347 PolarHBondContact O-N 3.42Å; D344-A347 VanDerWaalsContact O-N 3.12Å
348	E	28.6	Very low	59.8	Low	178 Å²	178	88.6 Å²	88.6	83%	0.832	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-47.6	133.3	170.2	-75	179.7	172.4	0	0	109.5	T346 Q350	T346-E348 PolarHBondContact O-N 3.46Å; T346-E348 VanDerWaalsContact O-N 3.15Å; E348-Q350 PolarHBondContact O-N 3.46Å; E348-Q350 VanDerWaalsContact O-N 3.12Å
349	P	27.5	Very low	57.1	Low	123 Å²	123	94.5 Å²	94.5	80%	0.799	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-57.1	124	176.1	21.8	-29.8	0	0	0	108.4
350	Q	28.2	Very low	53.9	Low	147 Å²	147	97.3 Å²	97.3	69%	0.687	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-63.8	137.6	173.9	-70.9	-152.3	-12.7	0	0	109.3	E348	E348-Q350 PolarHBondContact O-N 3.46Å; E348-Q350 VanDerWaalsContact O-N 3.12Å
351	P	35.2	Very low	50.2	Low	198 Å²	198	106 Å²	106	100%	1.286	58%	0.577	S	S	*	*			trans	-64.3	0	-175.1	25.6	-34.3	0	0	0	114

Retrieved 351 of 351 residues in 96.8 ms (Link to these results)

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