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Lysophosphatidylserine lipase ABHD12

Lysophosphatidylserine (LPS) lipase that mediates the hydrolysis of lysophosphatidylserine, a class of signaling lipids that regulates immunological and neurological processes. Represents a major lysophosphatidylserine lipase in the brain, thereby playing a key role in the central nervous system. Also able to hydrolyze oxidized phosphatidylserine; oxidized phosphatidylserine is produced in response to severe inflammatory stress and constitutes a proapoptotic 'eat me' signal. Also has monoacylglycerol (MAG) lipase activity: hydrolyzes 2-arachidonoylglycerol (2-AG), thereby acting as a regulator of endocannabinoid signaling pathways. Has a strong preference for very-long-chain lipid substrates; substrate specificity is likely due to improved catalysis and not improved substrate binding.

AlphaFold DB , UniProt , Accession A0A096LQ47, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 344 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	D	53.2	Low	55.2	Low	193 Å²	193	110.6 Å²	110.6	100%	1.032	63%	0.628	S	S	*	*				0	-24.2	0	-67.2	-18.6	0	0	0	118
2	V	51.5	Low	57.1	Low	111 Å²	111	111.5 Å²	111.5	67%	0.673	63%	0.629	S	S	*	*	H	α-helix	trans	-73.1	-30.6	-176.4	-171.5	0	0	0	0	114.1	S5 L6	V2-S5 PolarHBondContact O-OG 3.44Å; V2-L6 HydrophobicContact CG1-CD1 4.42Å
3	G	48.8	Very low	58.9	Low	52 Å²	52	106.1 Å²	106.1	54%	0.536	61%	0.613	S	S	.	*	H	α-helix	trans	-72.3	-27.6	180	0	0	0	0	0	114.9
4	C	50	Low	60.7	Low	80 Å²	80	109.8 Å²	109.8	54%	0.541	62%	0.618	S	S	.	*	H	α-helix	trans	-80.7	-25.5	-178.5	-156.4	0	0	0	0	112.3	R8	C4-R8 PolarHBondContact O-N 2.93Å
5	S	50.7	Low	62.3	Low	58 Å²	58	107.3 Å²	107.3	41%	0.406	60%	0.602	S	S	.	*	H	α-helix	trans	-76	-36.5	176.6	70.1	0	0	0	0	112.8	V2 R8 L9	V2-S5 PolarHBondContact O-OG 3.44Å; S5-R8 PolarHBondContact O-N 3.07Å; S5-L9 WeakPolarHBondContact O-CD1 3.13Å; S5-L9 PolarHBondContact O-N 3.11Å; S5-L9 VanDerWaalsContact O-N 3.09Å
6	L	52.2	Low	63.6	Low	119 Å²	119	110 Å²	110	62%	0.623	61%	0.605	S	S	*	*	H	α-helix	trans	-66.6	-39.3	178.1	-86.4	154.7	0	0	0	113	V2 L9 G10	V2-L6 HydrophobicContact CG1-CD1 4.42Å; L6-L9 PolarHBondContact O-N 3.25Å; L6-G10 PolarHBondContact O-N 3.16Å
7	L	53.4	Low	64.9	Low	139 Å²	139	115.1 Å²	115.1	73%	0.728	61%	0.613	S	S	*	*	H	α-helix	trans	-66.1	-38	174.5	-85.3	156.2	0	0	0	112.6	G10 L11	L7-G10 PolarHBondContact O-N 3.3Å; L7-L11 PolarHBondContact O-N 3.39Å; L7-L11 VanDerWaalsContact O-N 3.11Å
8	R	53.7	Low	66.1	Low	189 Å²	189	114.8 Å²	114.8	71%	0.713	61%	0.609	S	S	*	*	H	α-helix	trans	-66.4	-37.9	175	-77.9	-177.6	177.4	-170	0.1	112.4	C4 S5 L12	C4-R8 PolarHBondContact O-N 2.93Å; S5-R8 PolarHBondContact O-N 3.07Å; R8-L12 WeakPolarHBondContact O-CB 2.9Å; R8-L12 PolarHBondContact O-N 3.47Å
9	L	55.1	Low	67	Low	127 Å²	127	115.3 Å²	115.3	67%	0.665	61%	0.609	S	S	*	*	H	α-helix	trans	-63.6	-41.4	175.1	-105.2	82.6	0	0	0	112.4	S5 L6 G13	S5-L9 WeakPolarHBondContact O-CD1 3.13Å; S5-L9 PolarHBondContact O-N 3.11Å; S5-L9 VanDerWaalsContact O-N 3.09Å; L6-L9 PolarHBondContact O-N 3.25Å; L9-G13 PolarHBondContact O-N 3.47Å
10	G	66.6	Low	68	Low	42 Å²	42	115.7 Å²	115.7	43%	0.433	61%	0.609	S	S	.	*	H	α-helix	trans	-68.6	-38.7	178.2	0	0	0	0	0	113.5	L6 L7 K14	L6-G10 PolarHBondContact O-N 3.16Å; L7-G10 PolarHBondContact O-N 3.3Å; G10-K14 WeakPolarHBondContact O-CG 3.48Å; G10-K14 PolarHBondContact O-N 3.4Å; G10-K14 VanDerWaalsContact O-N 3.11Å
11	L	72.3	Confident	68.9	Low	107 Å²	107	114.2 Å²	114.2	56%	0.56	60%	0.604	S	S	*	*	H	α-helix	trans	-68.3	-44.2	176.4	-172.3	68.6	0	0	0	111.6	L7 G13 K14 I15	L7-L11 PolarHBondContact O-N 3.39Å; L7-L11 VanDerWaalsContact O-N 3.11Å; L11-G13 VanDerWaalsContact C-N 3.31Å; L11-G13 PolarHBondContact O-N 3.01Å; L11-K14 PolarHBondContact O-N 3.27Å; L11-I15 HydrophobicContact CG-CD1 4.05Å; L11-I15 WeakPolarHBondContact O-CG1 3.47Å; L11-I15 PolarHBondContact O-N 3.12Å
12	L	77.5	Confident	70.3	Confident	121 Å²	121	110.2 Å²	110.2	63%	0.634	58%	0.582	S	S	*	*	H	α-helix	trans	-63.6	-37.6	177.8	-161.3	74.3	0	0	0	111.7	R8 I15 K16	R8-L12 WeakPolarHBondContact O-CB 2.9Å; R8-L12 PolarHBondContact O-N 3.47Å; L12-I15 PolarHBondContact O-N 3.33Å; L12-K16 WeakPolarHBondContact O-CB 3.45Å; L12-K16 PolarHBondContact O-N 3.4Å
13	G	81.2	Confident	71.8	Confident	41 Å²	41	110 Å²	110	42%	0.423	58%	0.577	S	S	.	*	H	α-helix	trans	-64.3	-40.5	173.3	0	0	0	0	0	113.5	L9 L11 K16 R17	L9-G13 PolarHBondContact O-N 3.47Å; L11-G13 VanDerWaalsContact C-N 3.31Å; L11-G13 PolarHBondContact O-N 3.01Å; G13-K16 PolarHBondContact O-N 2.91Å; G13-R17 WeakPolarHBondContact O-CB 3.39Å; G13-R17 PolarHBondContact O-N 2.72Å
14	K	82.9	Confident	73.6	Confident	158 Å²	158	114.5 Å²	114.5	69%	0.687	58%	0.582	S	S	*	*	H	α-helix	trans	-66.1	-43.2	174.3	-73.7	176.4	-177.4	179.6	0	111.9	G10 L11 R17 M18	G10-K14 WeakPolarHBondContact O-CG 3.48Å; G10-K14 PolarHBondContact O-N 3.4Å; G10-K14 VanDerWaalsContact O-N 3.11Å; L11-K14 PolarHBondContact O-N 3.27Å; K14-R17 PolarHBondContact O-N 3.16Å; K14-M18 WeakPolarHBondContact O-CB 3.2Å; K14-M18 PolarHBondContact O-N 3.09Å
15	I	85.3	Confident	75.1	Confident	73 Å²	73	113.9 Å²	113.9	37%	0.374	58%	0.576	S	S	.	*	H	α-helix	trans	-61.9	-45.8	175.3	-67.8	167.2	0	0	0	110.2	L11 L12 R17 M18 M19	L11-I15 HydrophobicContact CG-CD1 4.05Å; L11-I15 WeakPolarHBondContact O-CG1 3.47Å; L11-I15 PolarHBondContact O-N 3.12Å; L12-I15 PolarHBondContact O-N 3.33Å; I15-R17 VanDerWaalsContact C-N 3.35Å; I15-R17 PolarHBondContact O-N 3.5Å; I15-M18 WeakPolarHBondContact O-CB 3.49Å; I15-M18 PolarHBondContact O-N 3.37Å; I15-M19 HydrophobicContact CG2-CG 4.39Å; I15-M19 HydrophobicContact CG2-SD 4.48Å; I15-M19 WeakPolarHBondContact O-CG 3.35Å; I15-M19 PolarHBondContact O-N 3.43Å
16	K	83.4	Confident	76.2	Confident	150 Å²	150	116.8 Å²	116.8	65%	0.652	58%	0.579	S	S	*	*	H	α-helix	trans	-60.8	-41.5	176.9	-172.8	176.6	179.6	178.8	0	112.3	L12 G13 M19 M20	L12-K16 WeakPolarHBondContact O-CB 3.45Å; L12-K16 PolarHBondContact O-N 3.4Å; G13-K16 PolarHBondContact O-N 2.91Å; K16-M19 PolarHBondContact O-N 3.22Å; K16-M20 WeakPolarHBondContact O-CB 3.32Å; K16-M20 VanDerWaalsContact O-CG 3.27Å; K16-M20 WeakPolarHBondContact O-CG 3.38Å; K16-M20 PolarHBondContact O-N 3.16Å
17	R	85.6	Confident	77.6	Confident	197 Å²	197	115.3 Å²	115.3	74%	0.743	57%	0.574	S	S	*	*	H	α-helix	trans	-65.5	-42	175.3	-173.7	179.9	-96.2	-179.3	-6.2	111.4	G13 K14 I15 M20 V21	G13-R17 WeakPolarHBondContact O-CB 3.39Å; G13-R17 PolarHBondContact O-N 2.72Å; K14-R17 PolarHBondContact O-N 3.16Å; I15-R17 VanDerWaalsContact C-N 3.35Å; I15-R17 PolarHBondContact O-N 3.5Å; R17-M20 PolarHBondContact O-N 3.43Å; R17-V21 WeakPolarHBondContact O-CG2 3.43Å; R17-V21 PolarHBondContact O-N 2.89Å
18	M	85.8	Confident	78.7	Confident	110 Å²	110	109.9 Å²	109.9	54%	0.542	55%	0.548	S	S	.	.	H	α-helix	trans	-62.4	-44.1	175.2	-173	-176	73.4	0	0	111.7	K14 I15 V21 L22	K14-M18 WeakPolarHBondContact O-CB 3.2Å; K14-M18 PolarHBondContact O-N 3.09Å; I15-M18 WeakPolarHBondContact O-CB 3.49Å; I15-M18 PolarHBondContact O-N 3.37Å; M18-V21 PolarHBondContact O-N 3.02Å; M18-L22 HydrophobicContact CG-CD1 4.19Å; M18-L22 PolarHBondContact O-N 3.25Å
19	M	84.7	Confident	79.7	Confident	123 Å²	123	105 Å²	105	61%	0.606	54%	0.535	S	S	*	.	H	α-helix	trans	-64.2	-39.4	175.8	-71.3	-162.5	77.8	0	0	112.5	I15 K16 L22 L23	I15-M19 HydrophobicContact CG2-CG 4.39Å; I15-M19 HydrophobicContact CG2-SD 4.48Å; I15-M19 WeakPolarHBondContact O-CG 3.35Å; I15-M19 PolarHBondContact O-N 3.43Å; K16-M19 PolarHBondContact O-N 3.22Å; M19-L22 PolarHBondContact O-N 2.88Å; M19-L23 WeakPolarHBondContact O-CB 3.4Å; M19-L23 PolarHBondContact O-N 2.79Å
20	M	87	Confident	80.4	Confident	123 Å²	123	100 Å²	100	61%	0.606	51%	0.511	S	S	*	.	H	α-helix	trans	-63.5	-40.7	174.2	-77.2	-92.4	-78.8	0	0	112.1	K16 R17 L23 F24	K16-M20 WeakPolarHBondContact O-CB 3.32Å; K16-M20 VanDerWaalsContact O-CG 3.27Å; K16-M20 WeakPolarHBondContact O-CG 3.38Å; K16-M20 PolarHBondContact O-N 3.16Å; R17-M20 PolarHBondContact O-N 3.43Å; M20-L23 PolarHBondContact O-N 3.21Å; M20-F24 VanDerWaalsContact O-CB 3.31Å; M20-F24 WeakPolarHBondContact O-CB 3.43Å; M20-F24 PolarHBondContact O-N 3.48Å
21	V	85.3	Confident	80.7	Confident	85 Å²	85	103.5 Å²	103.5	52%	0.515	51%	0.514	S	S	.	.	H	α-helix	trans	-65.4	-44.8	175	171.4	0	0	0	0	110.8	R17 M18 L23 F24 V25	R17-V21 WeakPolarHBondContact O-CG2 3.43Å; R17-V21 PolarHBondContact O-N 2.89Å; M18-V21 PolarHBondContact O-N 3.02Å; V21-L23 VanDerWaalsContact C-N 3.34Å; V21-L23 PolarHBondContact O-N 3.4Å; V21-F24 PolarHBondContact O-N 3.11Å; V21-V25 HydrophobicContact CG1-CG2 4.36Å; V21-V25 WeakPolarHBondContact O-CB 3.47Å; V21-V25 VanDerWaalsContact O-CG2 3.27Å; V21-V25 WeakPolarHBondContact O-CG2 3.44Å; V21-V25 PolarHBondContact O-N 3.02Å
22	L	83.5	Confident	80.7	Confident	109 Å²	109	102 Å²	102	57%	0.571	51%	0.506	S	S	*	.	H	α-helix	trans	-59	-44.7	175.1	-87.8	154.9	0	0	0	111.9	M18 M19 V25 Y26	M18-L22 HydrophobicContact CG-CD1 4.19Å; M18-L22 PolarHBondContact O-N 3.25Å; M19-L22 PolarHBondContact O-N 2.88Å; L22-V25 PolarHBondContact O-N 2.97Å; L22-Y26 VanDerWaalsContact O-CB 3.23Å; L22-Y26 WeakPolarHBondContact O-CB 3.46Å; L22-Y26 PolarHBondContact O-N 3.31Å
23	L	83.5	Confident	80.1	Confident	106 Å²	106	97.9 Å²	97.9	56%	0.555	48%	0.484	S	S	*	.	H	α-helix	trans	-64	-43.7	176.6	-175.7	68.6	0	0	0	111.4	M19 M20 V21 Y26 V27	M19-L23 WeakPolarHBondContact O-CB 3.4Å; M19-L23 PolarHBondContact O-N 2.79Å; M20-L23 PolarHBondContact O-N 3.21Å; V21-L23 VanDerWaalsContact C-N 3.34Å; V21-L23 PolarHBondContact O-N 3.4Å; L23-Y26 PolarHBondContact O-N 3.1Å; L23-V27 HydrophobicContact CD1-CG2 4.47Å; L23-V27 WeakPolarHBondContact O-CG2 3.49Å; L23-V27 PolarHBondContact O-N 3.46Å
24	F	85.8	Confident	79.2	Confident	147 Å²	147	99.5 Å²	99.5	65%	0.645	48%	0.479	S	S	*	.	H	α-helix	trans	-62.5	-44.8	177.5	-179.8	-97.5	0	0	0	111.8	M20 V21 Y26 V27 S28	M20-F24 VanDerWaalsContact O-CB 3.31Å; M20-F24 WeakPolarHBondContact O-CB 3.43Å; M20-F24 PolarHBondContact O-N 3.48Å; V21-F24 PolarHBondContact O-N 3.11Å; F24-Y26 VanDerWaalsContact C-N 3.35Å; F24-V27 PolarHBondContact O-N 2.85Å; F24-S28 WeakPolarHBondContact CE1-OG 3.24Å; F24-S28 WeakPolarHBondContact CZ-OG 3.37Å; F24-S28 WeakPolarHBondContact O-CB 3.21Å; F24-S28 PolarHBondContact O-N 3.2Å; F24-S28 PolarHBondContact O-OG 3.13Å
25	V	80.8	Confident	78.6	Confident	68 Å²	68	96.6 Å²	96.6	41%	0.412	47%	0.471	S	S	.	.	H	α-helix	trans	-61.4	-45.4	174.3	170.4	0	0	0	0	110.3	V21 L22 V27 S28 I29	V21-V25 HydrophobicContact CG1-CG2 4.36Å; V21-V25 WeakPolarHBondContact O-CB 3.47Å; V21-V25 VanDerWaalsContact O-CG2 3.27Å; V21-V25 WeakPolarHBondContact O-CG2 3.44Å; V21-V25 PolarHBondContact O-N 3.02Å; L22-V25 PolarHBondContact O-N 2.97Å; V25-V27 VanDerWaalsContact C-N 3.33Å; V25-V27 PolarHBondContact O-N 2.94Å; V25-S28 PolarHBondContact O-N 2.91Å; V25-I29 HydrophobicContact CG1-CD1 3.45Å; V25-I29 VanDerWaalsContact CG1-CD1 3.45Å; V25-I29 HydrophobicContact CG1-CG1 4.15Å; V25-I29 WeakPolarHBondContact O-CB 3.4Å; V25-I29 VanDerWaalsContact O-CG1 3.22Å; V25-I29 WeakPolarHBondContact O-CG1 3.14Å; V25-I29 PolarHBondContact O-N 3.48Å
26	Y	75.1	Confident	77.8	Confident	119 Å²	119	98.4 Å²	98.4	47%	0.467	48%	0.476	S	S	.	.	H	α-helix	trans	-60.3	-39.4	179.2	-175.4	-102.8	0	0	0	113	L22 L23 F24 P30 S240	L22-Y26 VanDerWaalsContact O-CB 3.23Å; L22-Y26 WeakPolarHBondContact O-CB 3.46Å; L22-Y26 PolarHBondContact O-N 3.31Å; L23-Y26 PolarHBondContact O-N 3.1Å; F24-Y26 VanDerWaalsContact C-N 3.35Å; Y26-P30 WeakPolarHBondContact O-CD 3.45Å; Y26-P30 WeakPolarHBondContact O-CG 3.5Å; Y26-S240 PolarHBondContact OH-OG 3.13Å
27	V	80.3	Confident	76.8	Confident	87 Å²	87	95.5 Å²	95.5	53%	0.527	47%	0.473	S	S	.	.	H	α-helix	trans	-80.5	-35.4	178.3	175.9	0	0	0	0	111.9	L23 F24 V25 P30	L23-V27 HydrophobicContact CD1-CG2 4.47Å; L23-V27 WeakPolarHBondContact O-CG2 3.49Å; L23-V27 PolarHBondContact O-N 3.46Å; F24-V27 PolarHBondContact O-N 2.85Å; V25-V27 VanDerWaalsContact C-N 3.33Å; V25-V27 PolarHBondContact O-N 2.94Å; V27-P30 WeakPolarHBondContact O-CD 3.19Å
28	S	78.3	Confident	75.4	Confident	26 Å²	26	90.1 Å²	90.1	18%	0.182	47%	0.465	C	S	.	.	H	α-helix	trans	-74.1	-35.7	-176.7	-61.8	0	0	0	0	112.6	F24 V25 F31 I32	F24-S28 WeakPolarHBondContact CE1-OG 3.24Å; F24-S28 WeakPolarHBondContact CZ-OG 3.37Å; F24-S28 WeakPolarHBondContact O-CB 3.21Å; F24-S28 PolarHBondContact O-N 3.2Å; F24-S28 PolarHBondContact O-OG 3.13Å; V25-S28 PolarHBondContact O-N 2.91Å; S28-F31 PolarHBondContact O-N 2.92Å; S28-I32 WeakPolarHBondContact O-CB 3.4Å; S28-I32 VanDerWaalsContact O-CG1 3.25Å; S28-I32 WeakPolarHBondContact O-CG1 3.46Å; S28-I32 PolarHBondContact O-N 3.22Å
29	I	74.1	Confident	74.1	Confident	86 Å²	86	87.9 Å²	87.9	44%	0.441	46%	0.455	S	S	.	.	H	α-helix	trans	-58.4	-52.7	-178.7	-74.1	168.2	0	0	0	112	V25 F31 I32 I33	V25-I29 HydrophobicContact CG1-CD1 3.45Å; V25-I29 VanDerWaalsContact CG1-CD1 3.45Å; V25-I29 HydrophobicContact CG1-CG1 4.15Å; V25-I29 WeakPolarHBondContact O-CB 3.4Å; V25-I29 VanDerWaalsContact O-CG1 3.22Å; V25-I29 WeakPolarHBondContact O-CG1 3.14Å; V25-I29 PolarHBondContact O-N 3.48Å; I29-F31 VanDerWaalsContact C-N 3.27Å; I29-F31 PolarHBondContact O-N 3.41Å; I29-I32 PolarHBondContact O-N 2.94Å; I29-I33 HydrophobicContact CG2-CD1 3.69Å; I29-I33 HydrophobicContact CG2-CG1 4.46Å; I29-I33 VanDerWaalsContact O-CG1 3.26Å; I29-I33 WeakPolarHBondContact O-CG1 3.29Å; I29-I33 PolarHBondContact O-N 2.86Å
30	P	69.4	Low	72.7	Confident	23 Å²	23	83.9 Å²	83.9	15%	0.149	44%	0.435	C	S	.	.	H	α-helix	trans	-59.4	-36.7	176.6	-24.8	34	0	0	0	113	Y26 V27 I33 K34 F249 F250	Y26-P30 WeakPolarHBondContact O-CD 3.45Å; Y26-P30 WeakPolarHBondContact O-CG 3.5Å; V27-P30 WeakPolarHBondContact O-CD 3.19Å; P30-I33 PolarHBondContact O-N 3.23Å; P30-K34 WeakPolarHBondContact O-CB 3.28Å; P30-K34 PolarHBondContact O-N 3.2Å; P30-F249 HydrophobicContact CB-CD1 3.92Å; P30-F249 HydrophobicContact CB-CE1 3.8Å; P30-F250 HydrophobicContact CB-CE2 4.13Å; P30-F250 HydrophobicContact CB-CZ 4.1Å; P30-F250 HydrophobicContact CG-CE2 4.05Å; P30-F250 HydrophobicContact CG-CZ 4.1Å
31	F	73.1	Confident	71.2	Confident	114 Å²	114	79.7 Å²	79.7	50%	0.5	42%	0.42	S	S	.	.	H	α-helix	trans	-68.2	-44.4	178.9	-169.6	-112.2	0	0	0	112	S28 I29 K34 L35 F249	S28-F31 PolarHBondContact O-N 2.92Å; I29-F31 VanDerWaalsContact C-N 3.27Å; I29-F31 PolarHBondContact O-N 3.41Å; F31-K34 WeakPolarHBondContact O-CB 3.08Å; F31-K34 PolarHBondContact O-N 2.74Å; F31-K34 VanDerWaalsContact O-N 3.16Å; F31-L35 HydrophobicContact CD1-CD1 3.39Å; F31-L35 HydrophobicContact CE1-CD1 3.2Å; F31-L35 HydrophobicContact CE1-CG 4.37Å; F31-L35 HydrophobicContact CE2-CD1 4.37Å; F31-L35 HydrophobicContact CG-CD1 4.09Å; F31-L35 HydrophobicContact CZ-CD1 3.74Å; F31-L35 WeakPolarHBondContact O-CB 3.49Å; F31-L35 PolarHBondContact O-N 2.98Å; F31-F249 HydrophobicContact CD2-CZ 4.16Å
32	I	71.6	Confident	69.8	Low	77 Å²	77	81.5 Å²	81.5	40%	0.395	42%	0.421	S	S	.	.	H	α-helix	trans	-61.4	-45.5	173.6	-68.5	166.2	0	0	0	110.2	S28 I29 K34 L35 F36 I39	S28-I32 WeakPolarHBondContact O-CB 3.4Å; S28-I32 VanDerWaalsContact O-CG1 3.25Å; S28-I32 WeakPolarHBondContact O-CG1 3.46Å; S28-I32 PolarHBondContact O-N 3.22Å; I29-I32 PolarHBondContact O-N 2.94Å; I32-K34 VanDerWaalsContact C-N 3.26Å; I32-K34 PolarHBondContact O-N 3.07Å; I32-L35 PolarHBondContact O-N 3.28Å; I32-F36 HydrophobicContact CG2-CD2 3.97Å; I32-F36 HydrophobicContact CG2-CE2 4.33Å; I32-F36 VanDerWaalsContact O-CD2 3.28Å; I32-F36 WeakPolarHBondContact O-CD2 3.36Å; I32-F36 PolarHBondContact O-N 2.82Å; I32-F36 VanDerWaalsContact O-N 3.15Å; I32-I39 HydrophobicContact CG2-CD1 4.12Å
33	I	64.9	Low	68.5	Low	33 Å²	33	79.8 Å²	79.8	17%	0.169	41%	0.412	C	S	.	.	H	α-helix	trans	-58.5	-42.4	175.4	-67.8	167.3	0	0	0	109.8	I29 P30 I39 Q40 L43	I29-I33 HydrophobicContact CG2-CD1 3.69Å; I29-I33 HydrophobicContact CG2-CG1 4.46Å; I29-I33 VanDerWaalsContact O-CG1 3.26Å; I29-I33 WeakPolarHBondContact O-CG1 3.29Å; I29-I33 PolarHBondContact O-N 2.86Å; P30-I33 PolarHBondContact O-N 3.23Å; I33-I39 HydrophobicContact CG1-CG2 4.3Å; I33-Q40 HydrophobicContact CG2-CG 3.7Å; I33-Q40 WeakPolarHBondContact O-CG 2.82Å; I33-Q40 PolarHBondContact O-NE2 3.22Å; I33-L43 HydrophobicContact CD1-CD1 3.62Å; I33-L43 HydrophobicContact CG1-CD1 3.76Å; I33-L43 HydrophobicContact CG2-CD1 4.16Å
34	K	64.1	Low	67.1	Low	76 Å²	76	76 Å²	76	33%	0.33	39%	0.393	S	S	.	.	H	α-helix	trans	-64.4	-42.2	178	-165.3	173.7	-174.7	174	0	113.4	P30 F31 I32 F36 Q40 S252	P30-K34 WeakPolarHBondContact O-CB 3.28Å; P30-K34 PolarHBondContact O-N 3.2Å; F31-K34 WeakPolarHBondContact O-CB 3.08Å; F31-K34 PolarHBondContact O-N 2.74Å; F31-K34 VanDerWaalsContact O-N 3.16Å; I32-K34 VanDerWaalsContact C-N 3.26Å; I32-K34 PolarHBondContact O-N 3.07Å; K34-F36 VanDerWaalsContact C-N 3.32Å; K34-F36 PolarHBondContact O-N 2.89Å; K34-Q40 VanDerWaalsContact CA-NE2 3.33Å; K34-Q40 PolarHBondContact O-NE2 3.25Å; K34-S252 VanDerWaalsContact CE-O 3.25Å; K34-S252 WeakPolarHBondContact CE-O 3.39Å; K34-S252 PolarHBondContact NZ-O 2.91Å; K34-S252 PolarHBondContact NZ-OG 3.23Å
35	L	70.3	Confident	65.5	Low	96 Å²	96	69.9 Å²	69.9	50%	0.503	37%	0.366	S	S	.	.	H	α-helix	trans	-67.9	-28.6	-178.5	-89.6	152	0	0	0	113.8	F31 I32 P37	F31-L35 HydrophobicContact CD1-CD1 3.39Å; F31-L35 HydrophobicContact CE1-CD1 3.2Å; F31-L35 HydrophobicContact CE1-CG 4.37Å; F31-L35 HydrophobicContact CE2-CD1 4.37Å; F31-L35 HydrophobicContact CG-CD1 4.09Å; F31-L35 HydrophobicContact CZ-CD1 3.74Å; F31-L35 WeakPolarHBondContact O-CB 3.49Å; F31-L35 PolarHBondContact O-N 2.98Å; I32-L35 PolarHBondContact O-N 3.28Å; L35-P37 WeakPolarHBondContact O-CD 3.36Å
36	F	68.3	Low	64.2	Low	111 Å²	111	68.2 Å²	68.2	49%	0.487	36%	0.355	S	S	.	.			trans	-117.9	95.4	-174.4	-64.4	-75.6	0	0	0	111.8	I32 K34 S38 I39 Q40	I32-F36 HydrophobicContact CG2-CD2 3.97Å; I32-F36 HydrophobicContact CG2-CE2 4.33Å; I32-F36 VanDerWaalsContact O-CD2 3.28Å; I32-F36 WeakPolarHBondContact O-CD2 3.36Å; I32-F36 PolarHBondContact O-N 2.82Å; I32-F36 VanDerWaalsContact O-N 3.15Å; K34-F36 VanDerWaalsContact C-N 3.32Å; K34-F36 PolarHBondContact O-N 2.89Å; F36-S38 PolarHBondContact O-N 3.46Å; F36-S38 VanDerWaalsContact O-N 3.13Å; F36-I39 HydrophobicContact CB-CB 4.09Å; F36-I39 HydrophobicContact CB-CD1 3.7Å; F36-I39 HydrophobicContact CB-CG1 3.76Å; F36-I39 HydrophobicContact CD2-CD1 4.07Å; F36-I39 HydrophobicContact CG-CD1 4.05Å; F36-I39 WeakPolarHBondContact O-CB 3.12Å; F36-I39 PolarHBondContact O-N 2.96Å; F36-Q40 PolarHBondContact O-N 3.2Å
37	P	60.5	Low	63.1	Low	89 Å²	89	64.1 Å²	64.1	58%	0.578	34%	0.341	S	S	*	.	H	α-helix	trans	-54.6	-31.9	175.3	-26.3	33.9	0	0	0	113.5	L35 I39 Q40 A41	L35-P37 WeakPolarHBondContact O-CD 3.36Å; P37-I39 VanDerWaalsContact C-N 3.31Å; P37-I39 PolarHBondContact O-N 3.45Å; P37-Q40 WeakPolarHBondContact O-CB 3.18Å; P37-Q40 PolarHBondContact O-N 2.93Å; P37-A41 PolarHBondContact O-N 3.46Å
38	S	56.8	Low	61.7	Low	84 Å²	84	65.2 Å²	65.2	59%	0.587	34%	0.339	S	S	*	.	H	α-helix	trans	-66	-31.6	176.2	-49.2	0	0	0	0	113.1	F36 K42	F36-S38 PolarHBondContact O-N 3.46Å; F36-S38 VanDerWaalsContact O-N 3.13Å; S38-K42 VanDerWaalsContact O-CG 3.28Å; S38-K42 WeakPolarHBondContact O-CG 2.94Å; S38-K42 PolarHBondContact O-N 3.23Å; S38-K42 VanDerWaalsContact O-N 3.13Å
39	I	59.2	Low	60.3	Low	64 Å²	64	65.5 Å²	65.5	33%	0.328	34%	0.339	S	S	.	.	H	α-helix	trans	-75.2	-40	175.3	-62	179.8	0	0	0	109.5	I32 I33 F36 P37 K42 L43	I32-I39 HydrophobicContact CG2-CD1 4.12Å; I33-I39 HydrophobicContact CG1-CG2 4.3Å; F36-I39 HydrophobicContact CB-CB 4.09Å; F36-I39 HydrophobicContact CB-CD1 3.7Å; F36-I39 HydrophobicContact CB-CG1 3.76Å; F36-I39 HydrophobicContact CD2-CD1 4.07Å; F36-I39 HydrophobicContact CG-CD1 4.05Å; F36-I39 WeakPolarHBondContact O-CB 3.12Å; F36-I39 PolarHBondContact O-N 2.96Å; P37-I39 VanDerWaalsContact C-N 3.31Å; P37-I39 PolarHBondContact O-N 3.45Å; I39-K42 PolarHBondContact O-N 3.28Å; I39-L43 HydrophobicContact CG2-CD1 4Å; I39-L43 HydrophobicContact CG2-CG 4.41Å; I39-L43 WeakPolarHBondContact O-CB 3.45Å; I39-L43 WeakPolarHBondContact O-CG 3.44Å; I39-L43 PolarHBondContact O-N 3.39Å
40	Q	55.1	Low	59.2	Low	38 Å²	38	65.5 Å²	65.5	18%	0.178	33%	0.334	C	S	.	.	H	α-helix	trans	-57.6	-50.3	172.3	-62.2	174.2	6.6	0	0	111	I33 K34 F36 P37 K42 L43 V44 L253	I33-Q40 HydrophobicContact CG2-CG 3.7Å; I33-Q40 WeakPolarHBondContact O-CG 2.82Å; I33-Q40 PolarHBondContact O-NE2 3.22Å; K34-Q40 VanDerWaalsContact CA-NE2 3.33Å; K34-Q40 PolarHBondContact O-NE2 3.25Å; F36-Q40 PolarHBondContact O-N 3.2Å; P37-Q40 WeakPolarHBondContact O-CB 3.18Å; P37-Q40 PolarHBondContact O-N 2.93Å; Q40-K42 VanDerWaalsContact C-N 3.31Å; Q40-K42 PolarHBondContact O-N 3.42Å; Q40-L43 PolarHBondContact O-N 2.96Å; Q40-L43 VanDerWaalsContact O-N 3.15Å; Q40-V44 WeakPolarHBondContact O-CB 3.28Å; Q40-V44 WeakPolarHBondContact O-CG2 3.47Å; Q40-V44 PolarHBondContact O-N 2.78Å; Q40-L253 VanDerWaalsContact CD-CD2 3.47Å; Q40-L253 HydrophobicContact CG-CD2 4.41Å
41	A	54.9	Low	58.3	Low	36 Å²	36	67.6 Å²	67.6	30%	0.298	35%	0.346	S	S	.	.	H	α-helix	trans	-57.4	-44.4	177.1	0	0	0	0	0	111.3	P37 L43 V44 F45	P37-A41 PolarHBondContact O-N 3.46Å; A41-L43 PolarHBondContact O-N 3.07Å; A41-V44 PolarHBondContact O-N 2.89Å; A41-F45 HydrophobicContact CB-CD2 4.17Å; A41-F45 HydrophobicContact CB-CE2 4.33Å; A41-F45 WeakPolarHBondContact O-CB 3.45Å; A41-F45 WeakPolarHBondContact O-CD2 3.37Å; A41-F45 PolarHBondContact O-N 3.24Å
42	K	56.6	Low	57.3	Low	122 Å²	122	63.7 Å²	63.7	53%	0.53	33%	0.332	S	S	.	.	H	α-helix	trans	-62.8	-39.8	176.8	-74.1	173.6	-175.7	-178.7	0	113	S38 I39 Q40 L46 N47 F48	S38-K42 VanDerWaalsContact O-CG 3.28Å; S38-K42 WeakPolarHBondContact O-CG 2.94Å; S38-K42 PolarHBondContact O-N 3.23Å; S38-K42 VanDerWaalsContact O-N 3.13Å; I39-K42 PolarHBondContact O-N 3.28Å; Q40-K42 VanDerWaalsContact C-N 3.31Å; Q40-K42 PolarHBondContact O-N 3.42Å; K42-L46 VanDerWaalsContact O-CA 3.29Å; K42-L46 WeakPolarHBondContact O-CA 3.42Å; K42-L46 PolarHBondContact O-N 2.85Å; K42-N47 PolarHBondContact O-N 3.35Å; K42-F48 VanDerWaalsContact O-CD1 3.26Å; K42-F48 WeakPolarHBondContact O-CD1 3.38Å; K42-F48 WeakPolarHBondContact O-CE1 3.32Å
43	L	55.7	Low	56.3	Low	74 Å²	74	66.8 Å²	66.8	39%	0.387	34%	0.34	S	S	.	.	H	α-helix	trans	-70.2	-40.7	176.7	-74.2	171.8	0	0	0	112.4	I33 I39 Q40 A41 F48	I33-L43 HydrophobicContact CD1-CD1 3.62Å; I33-L43 HydrophobicContact CG1-CD1 3.76Å; I33-L43 HydrophobicContact CG2-CD1 4.16Å; I39-L43 HydrophobicContact CG2-CD1 4Å; I39-L43 HydrophobicContact CG2-CG 4.41Å; I39-L43 WeakPolarHBondContact O-CB 3.45Å; I39-L43 WeakPolarHBondContact O-CG 3.44Å; I39-L43 PolarHBondContact O-N 3.39Å; Q40-L43 PolarHBondContact O-N 2.96Å; Q40-L43 VanDerWaalsContact O-N 3.15Å; A41-L43 PolarHBondContact O-N 3.07Å; L43-F48 HydrophobicContact CD2-CE1 4.08Å; L43-F48 HydrophobicContact CD2-CZ 4.17Å
44	V	55.3	Low	55.9	Low	25 Å²	25	74.7 Å²	74.7	15%	0.152	37%	0.373	C	S	.	.	H	α-helix	trans	-67.2	-48.6	177.8	172.9	0	0	0	0	110.3	Q40 A41 L46 N120 L226 L230	Q40-V44 WeakPolarHBondContact O-CB 3.28Å; Q40-V44 WeakPolarHBondContact O-CG2 3.47Å; Q40-V44 PolarHBondContact O-N 2.78Å; A41-V44 PolarHBondContact O-N 2.89Å; V44-L46 VanDerWaalsContact C-N 3.32Å; V44-N120 PolarHBondContact O-ND2 3.46Å; V44-L226 HydrophobicContact CG1-CD2 3.53Å; V44-L226 HydrophobicContact CG1-CG 4.38Å; V44-L230 HydrophobicContact CG2-CD1 3.89Å; V44-L230 HydrophobicContact CG2-CD2 3.83Å; V44-L230 HydrophobicContact CG2-CG 4.38Å
45	F	51.7	Low	55.8	Low	20 Å²	20	72 Å²	72	9%	0.088	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-2.3	-177.4	-65.3	-67.3	0	0	0	113.6	A41 N47 N120 Q151 P159 M164 Y196	A41-F45 HydrophobicContact CB-CD2 4.17Å; A41-F45 HydrophobicContact CB-CE2 4.33Å; A41-F45 WeakPolarHBondContact O-CB 3.45Å; A41-F45 WeakPolarHBondContact O-CD2 3.37Å; A41-F45 PolarHBondContact O-N 3.24Å; F45-N47 HydrophobicContact CB-CB 4.46Å; F45-N47 PolarHBondContact O-N 2.94Å; F45-N120 VanDerWaalsContact C-OD1 3.28Å; F45-N120 PolarHBondContact O-OD1 2.73Å; F45-N120 VanDerWaalsContact O-OD1 3.06Å; F45-Q151 PolarHBondContact O-NE2 2.89Å; F45-P159 HydrophobicContact CB-CB 4.26Å; F45-P159 HydrophobicContact CB-CG 4.19Å; F45-P159 HydrophobicContact CD1-CB 4.21Å; F45-P159 HydrophobicContact CD2-CB 3.92Å; F45-P159 HydrophobicContact CD2-CG 3.9Å; F45-P159 HydrophobicContact CE2-CB 4.35Å; F45-P159 HydrophobicContact CG-CB 3.87Å; F45-P159 HydrophobicContact CG-CG 4.1Å; F45-M164 HydrophobicContact CD1-SD 4.21Å; F45-M164 HydrophobicContact CE1-SD 3.75Å; F45-Y196 WeakPolarHBondContact CE1-OH 3.43Å
46	L	53.5	Low	55.5	Low	33 Å²	33	70.8 Å²	70.8	17%	0.173	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.2	33.2	-176.1	-84.6	143.1	0	0	0	112.9	K42 V44 F48 V49 A121	K42-L46 VanDerWaalsContact O-CA 3.29Å; K42-L46 WeakPolarHBondContact O-CA 3.42Å; K42-L46 PolarHBondContact O-N 2.85Å; V44-L46 VanDerWaalsContact C-N 3.32Å; L46-F48 HydrophobicContact CD2-CE1 3.82Å; L46-F48 HydrophobicContact CD2-CE2 4.43Å; L46-F48 HydrophobicContact CD2-CZ 3.59Å; L46-F48 HydrophobicContact CG-CE1 4.24Å; L46-F48 HydrophobicContact CG-CZ 4.46Å; L46-F48 PolarHBondContact O-N 3.35Å; L46-F48 VanDerWaalsContact O-N 3.08Å; L46-V49 HydrophobicContact CD2-CG2 4.27Å; L46-V49 PolarHBondContact O-N 3.45Å; L46-A121 HydrophobicContact CB-CB 4.1Å; L46-A121 HydrophobicContact CD1-CB 3.79Å; L46-A121 HydrophobicContact CG-CB 4.46Å
47	N	52.3	Low	55.6	Low	33 Å²	33	65.6 Å²	65.6	18%	0.176	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-11	-173.8	-167.9	-1.5	0	0	0	112.5	K42 F45 G150 R152	K42-N47 PolarHBondContact O-N 3.35Å; F45-N47 HydrophobicContact CB-CB 4.46Å; F45-N47 PolarHBondContact O-N 2.94Å; N47-G150 PolarHBondContact ND2-O 3.3Å; N47-G150 PolarHBondContact OD1-O 3.12Å; N47-G150 VanDerWaalsContact OD1-O 3.11Å; N47-R152 WeakPolarHBondContact O-CD 3.47Å; N47-R152 WeakPolarHBondContact OD1-CG 3.3Å
48	F	50	Low	56.1	Low	109 Å²	109	67.4 Å²	67.4	48%	0.478	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-12.8	178.5	59.7	-80.6	0	0	0	113.4	K42 L43 L46	K42-F48 VanDerWaalsContact O-CD1 3.26Å; K42-F48 WeakPolarHBondContact O-CD1 3.38Å; K42-F48 WeakPolarHBondContact O-CE1 3.32Å; L43-F48 HydrophobicContact CD2-CE1 4.08Å; L43-F48 HydrophobicContact CD2-CZ 4.17Å; L46-F48 HydrophobicContact CD2-CE1 3.82Å; L46-F48 HydrophobicContact CD2-CE2 4.43Å; L46-F48 HydrophobicContact CD2-CZ 3.59Å; L46-F48 HydrophobicContact CG-CE1 4.24Å; L46-F48 HydrophobicContact CG-CZ 4.46Å; L46-F48 PolarHBondContact O-N 3.35Å; L46-F48 VanDerWaalsContact O-N 3.08Å
49	V	49.3	Very low	56.9	Low	32 Å²	32	70.2 Å²	70.2	19%	0.194	33%	0.33	C	S	.	.			trans	-120.3	109.5	-174.1	-159.1	0	0	0	0	110.3	L46 V51 Y53	L46-V49 HydrophobicContact CD2-CG2 4.27Å; L46-V49 PolarHBondContact O-N 3.45Å; V49-V51 HydrophobicContact CB-CG2 4.03Å; V49-V51 HydrophobicContact CG1-CG2 3.2Å; V49-V51 PolarHBondContact O-N 2.87Å; V49-Y53 HydrophobicContact CG1-CE1 4.39Å; V49-Y53 HydrophobicContact CG1-CE2 4.13Å; V49-Y53 WeakPolarHBondContact CG1-OH 3.48Å
50	R	51.2	Low	57.8	Low	86 Å²	86	67.3 Å²	67.3	33%	0.325	32%	0.316	S	S	.	.			trans	-81.2	93.4	172	-155.1	177.5	-157.8	-162.8	1.1	107.7	P52 Y53 R152 G153 D154	R50-P52 CarbonylContact C-O 3.45Å; R50-P52 CarbonylContact O-C 3.58Å; R50-Y53 HydrophobicContact CB-CD1 4.46Å; R50-Y53 VanDerWaalsContact O-CA 3.24Å; R50-Y53 WeakPolarHBondContact O-CA 3.3Å; R50-Y53 WeakPolarHBondContact O-CD1 3.48Å; R50-Y53 WeakPolarHBondContact O-CD2 3.22Å; R50-Y53 PolarHBondContact O-N 2.87Å; R50-Y53 VanDerWaalsContact O-N 3.08Å; R50-R152 PolarHBondContact NE-O 2.79Å; R50-G153 PolarHBondContact NH2-O 3.3Å; R50-D154 IonicContact NH2-OD1 2.82Å
51	V	50.8	Low	58.7	Low	68 Å²	68	70.9 Å²	70.9	41%	0.412	34%	0.335	S	S	.	.	S	Bend	trans	-113.8	122.3	178.8	-173.8	0	0	0	0	109.7	V49 Y53 G122 T123	V49-V51 HydrophobicContact CB-CG2 4.03Å; V49-V51 HydrophobicContact CG1-CG2 3.2Å; V49-V51 PolarHBondContact O-N 2.87Å; V51-Y53 HydrophobicContact CG2-CE2 4.18Å; V51-G122 WeakPolarHBondContact O-CA 3.41Å; V51-T123 PolarHBondContact O-N 2.81Å
52	P	51.2	Low	59.6	Low	32 Å²	32	73.4 Å²	73.4	21%	0.208	34%	0.344	C	S	.	.	S	Bend	cis	-68.7	148.1	-4.1	-16.6	31.7	0	0	0	112.6	R50 I55	R50-P52 CarbonylContact C-O 3.45Å; R50-P52 CarbonylContact O-C 3.58Å; P52-I55 HydrophobicContact CB-CD1 3.47Å; P52-I55 VanDerWaalsContact CB-CD1 3.47Å; P52-I55 HydrophobicContact CB-CG1 3.98Å; P52-I55 HydrophobicContact CG-CD1 3.36Å; P52-I55 HydrophobicContact CG-CG1 4.39Å
53	Y	51.8	Low	60.4	Low	142 Å²	142	69.7 Å²	69.7	56%	0.557	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	141	175.5	-66.3	-88.2	0	0	0	108.9	V49 R50 V51	V49-Y53 HydrophobicContact CG1-CE1 4.39Å; V49-Y53 HydrophobicContact CG1-CE2 4.13Å; V49-Y53 WeakPolarHBondContact CG1-OH 3.48Å; R50-Y53 HydrophobicContact CB-CD1 4.46Å; R50-Y53 VanDerWaalsContact O-CA 3.24Å; R50-Y53 WeakPolarHBondContact O-CA 3.3Å; R50-Y53 WeakPolarHBondContact O-CD1 3.48Å; R50-Y53 WeakPolarHBondContact O-CD2 3.22Å; R50-Y53 PolarHBondContact O-N 2.87Å; R50-Y53 VanDerWaalsContact O-N 3.08Å; V51-Y53 HydrophobicContact CG2-CE2 4.18Å
54	F	54.9	Low	61.3	Low	199 Å²	199	68 Å²	68	87%	0.873	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	26.6	174.2	-43.7	-77.3	0	0	0	117.6
55	I	62.3	Low	62.5	Low	19 Å²	19	66.8 Å²	66.8	10%	0.097	32%	0.321	C	S	.	.			trans	-85.3	127.8	170.3	-67	-176.7	0	0	0	110.9	P52 L57 Q63	P52-I55 HydrophobicContact CB-CD1 3.47Å; P52-I55 VanDerWaalsContact CB-CD1 3.47Å; P52-I55 HydrophobicContact CB-CG1 3.98Å; P52-I55 HydrophobicContact CG-CD1 3.36Å; P52-I55 HydrophobicContact CG-CG1 4.39Å; I55-L57 HydrophobicContact CG2-CD2 3.74Å; I55-L57 HydrophobicContact CG2-CG 4.24Å; I55-L57 PolarHBondContact O-N 2.75Å; I55-Q63 HydrophobicContact CG2-CG 4.3Å
56	D	63.5	Low	63.9	Low	71 Å²	71	69.6 Å²	69.6	38%	0.38	34%	0.337	S	S	.	.			trans	-81.8	107.3	163.9	-170.1	-1.2	0	0	0	109.7	K58 R59	D56-K58 PolarHBondContact O-N 2.97Å; D56-K58 WeakPolarHBondContact OD1-CB 3.5Å; D56-K58 WeakPolarHBondContact OD1-CG 3.47Å; D56-K58 PolarHBondContact OD1-N 2.64Å; D56-R59 PolarHBondContact O-N 3.05Å
57	L	70.6	Confident	65.3	Low	2 Å²	2	68.6 Å²	68.6	1%	0.01	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-8.5	-179.9	-62	168.6	0	0	0	112.4	I55 R59 W84 T123 R124 D147	I55-L57 HydrophobicContact CG2-CD2 3.74Å; I55-L57 HydrophobicContact CG2-CG 4.24Å; I55-L57 PolarHBondContact O-N 2.75Å; L57-R59 VanDerWaalsContact C-N 3.31Å; L57-W84 HydrophobicContact CB-CZ2 4.23Å; L57-W84 HydrophobicContact CD2-CH2 3.98Å; L57-W84 HydrophobicContact CD2-CZ2 3.73Å; L57-W84 PolarHBondContact O-NE1 3.33Å; L57-T123 HydrophobicContact CD1-CG2 4.04Å; L57-R124 HydrophobicContact CD2-CG 4Å; L57-D147 WeakPolarHBondContact CD1-OD2 3.18Å
58	K	72.4	Confident	66.9	Low	126 Å²	126	67.2 Å²	67.2	55%	0.548	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-25.8	174.2	-64.7	174.3	-178.1	-177.1	0	112.3	D56 P60 Y72	D56-K58 PolarHBondContact O-N 2.97Å; D56-K58 WeakPolarHBondContact OD1-CB 3.5Å; D56-K58 WeakPolarHBondContact OD1-CG 3.47Å; D56-K58 PolarHBondContact OD1-N 2.64Å; K58-P60 VanDerWaalsContact C-CD 3.49Å; K58-P60 WeakPolarHBondContact O-CD 3.33Å; K58-Y72 WeakPolarHBondContact CE-OH 3.43Å; K58-Y72 WeakPolarHBondContact CG-OH 3.2Å
59	R	73.8	Confident	68.6	Low	143 Å²	143	64.6 Å²	64.6	54%	0.54	31%	0.313	S	S	.	.			trans	-116.5	78	-174.1	-65.4	177.6	59.1	125.7	8.1	110.8	D56 L57 L61 D62	D56-R59 PolarHBondContact O-N 3.05Å; L57-R59 VanDerWaalsContact C-N 3.31Å; R59-L61 PolarHBondContact O-N 2.84Å; R59-L61 VanDerWaalsContact O-N 3.13Å; R59-D62 WeakPolarHBondContact CB-OD2 3.39Å; R59-D62 WeakPolarHBondContact CD-OD2 3.44Å; R59-D62 IonicContact CZ-OD1 3.55Å; R59-D62 IonicContact CZ-OD2 3.7Å; R59-D62 IonicContact NE-OD1 3.61Å; R59-D62 IonicContact NE-OD2 2.77Å; R59-D62 PolarHBondContact NE-OD2 2.97Å; R59-D62 IonicContact NH2-OD1 3.05Å; R59-D62 PolarHBondContact NH2-OD1 2.77Å; R59-D62 PolarHBondContact O-N 3.19Å; R59-D62 VanDerWaalsContact O-N 3.1Å
60	P	76.7	Confident	70.4	Confident	4 Å²	4	64 Å²	64	3%	0.026	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-61.6	-21.4	177.9	27.4	-36.2	0	0	0	113.1	K58 D62 Q63 L65 T68 W84	K58-P60 VanDerWaalsContact C-CD 3.49Å; K58-P60 WeakPolarHBondContact O-CD 3.33Å; P60-D62 PolarHBondContact O-N 2.74Å; P60-Q63 WeakPolarHBondContact O-CB 3.3Å; P60-Q63 PolarHBondContact O-N 3.42Å; P60-L65 HydrophobicContact CB-CB 4.24Å; P60-L65 HydrophobicContact CB-CD1 4.27Å; P60-L65 WeakPolarHBondContact O-CB 3.48Å; P60-L65 PolarHBondContact O-N 3.47Å; P60-T68 HydrophobicContact CB-CG2 3.73Å; P60-T68 HydrophobicContact CG-CG2 3.94Å; P60-T68 WeakPolarHBondContact CG-O 3.43Å; P60-W84 HydrophobicContact CB-CD2 4.43Å; P60-W84 HydrophobicContact CB-CZ2 4.2Å
61	L	74.6	Confident	72	Confident	112 Å²	112	60.3 Å²	60.3	59%	0.586	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-56.6	-37.2	172.9	-80.6	87.9	0	0	0	112.6	R59 Q63 G64 L65	R59-L61 PolarHBondContact O-N 2.84Å; R59-L61 VanDerWaalsContact O-N 3.13Å; L61-Q63 PolarHBondContact O-N 3.22Å; L61-G64 WeakPolarHBondContact O-CA 3.44Å; L61-G64 PolarHBondContact O-N 3.22Å; L61-L65 WeakPolarHBondContact CA-O 3.37Å
62	D	74.5	Confident	73.7	Confident	90 Å²	90	61 Å²	61	48%	0.481	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-69.6	-17.3	-178.3	-58.3	-20.8	0	0	0	111.6	R59 P60 G64	R59-D62 WeakPolarHBondContact CB-OD2 3.39Å; R59-D62 WeakPolarHBondContact CD-OD2 3.44Å; R59-D62 IonicContact CZ-OD1 3.55Å; R59-D62 IonicContact CZ-OD2 3.7Å; R59-D62 IonicContact NE-OD1 3.61Å; R59-D62 IonicContact NE-OD2 2.77Å; R59-D62 PolarHBondContact NE-OD2 2.97Å; R59-D62 IonicContact NH2-OD1 3.05Å; R59-D62 PolarHBondContact NH2-OD1 2.77Å; R59-D62 PolarHBondContact O-N 3.19Å; R59-D62 VanDerWaalsContact O-N 3.1Å; P60-D62 PolarHBondContact O-N 2.74Å; D62-G64 VanDerWaalsContact C-N 3.3Å
63	Q	72.6	Confident	75.3	Confident	44 Å²	44	60 Å²	60	21%	0.206	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-89.9	5	172.2	-58.2	-60.3	-57.2	0	0	112.4	I55 P60 L61 W84 G125 V130	I55-Q63 HydrophobicContact CG2-CG 4.3Å; P60-Q63 WeakPolarHBondContact O-CB 3.3Å; P60-Q63 PolarHBondContact O-N 3.42Å; L61-Q63 PolarHBondContact O-N 3.22Å; Q63-W84 HydrophobicContact CG-CH2 4.28Å; Q63-G125 PolarHBondContact OE1-O 3.46Å; Q63-V130 HydrophobicContact CB-CG1 4.46Å; Q63-V130 HydrophobicContact CB-CG2 4.22Å; Q63-V130 WeakPolarHBondContact O-CG1 3.36Å
64	G	75.1	Confident	76.9	Confident	37 Å²	37	58.5 Å²	58.5	38%	0.381	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	25.2	-176.8	0	0	0	0	0	113.4	L61 D62 K134	L61-G64 WeakPolarHBondContact O-CA 3.44Å; L61-G64 PolarHBondContact O-N 3.22Å; D62-G64 VanDerWaalsContact C-N 3.3Å; G64-K134 WeakPolarHBondContact O-CE 3.41Å; G64-K134 PolarHBondContact O-NZ 3.34Å
65	L	79.4	Confident	77.9	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.249	C	C	.	.			trans	-99.4	96.1	169.1	-64.7	172.4	0	0	0	109.2	P60 L61 H67 T68 W84 V130 Y133 K134	P60-L65 HydrophobicContact CB-CB 4.24Å; P60-L65 HydrophobicContact CB-CD1 4.27Å; P60-L65 WeakPolarHBondContact O-CB 3.48Å; P60-L65 PolarHBondContact O-N 3.47Å; L61-L65 WeakPolarHBondContact CA-O 3.37Å; L65-H67 VanDerWaalsContact C-N 3.33Å; L65-H67 PolarHBondContact O-N 3Å; L65-T68 WeakPolarHBondContact CB-OG1 3.49Å; L65-T68 HydrophobicContact CD1-CG2 4.23Å; L65-W84 HydrophobicContact CD1-CE3 4.1Å; L65-W84 HydrophobicContact CD1-CZ3 3.95Å; L65-V130 HydrophobicContact CD1-CG1 4.32Å; L65-V130 HydrophobicContact CD1-CG2 4.5Å; L65-V130 HydrophobicContact CD2-CG1 3.95Å; L65-V130 HydrophobicContact CG-CG1 3.92Å; L65-Y133 HydrophobicContact CD1-CD2 4.21Å; L65-K134 HydrophobicContact CD2-CG 4.04Å
66	N	81.1	Confident	78.6	Confident	80 Å²	80	53.6 Å²	53.6	43%	0.428	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-13.8	-174.7	58.4	-22.4	0	0	0	114.6
67	H	83.3	Confident	79.1	Confident	11 Å²	11	55.6 Å²	55.6	5%	0.051	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.8	35.5	-176.3	56.9	-93.4	0	0	0	111.6	L65 T86 V87 W92 A95 S137	L65-H67 VanDerWaalsContact C-N 3.33Å; L65-H67 PolarHBondContact O-N 3Å; H67-T86 WeakPolarHBondContact CD2-CG2 3.31Å; H67-T86 VanDerWaalsContact NE2-CG2 3.3Å; H67-T86 WeakPolarHBondContact NE2-CG2 3.43Å; H67-V87 HydrophobicContact CB-CG2 3.77Å; H67-V87 PolarHBondContact CD2-O 2.97Å; H67-V87 PolarHBondContact NE2-O 3.16Å; H67-V87 WeakPolarHBondContact O-CG2 3.4Å; H67-V87 PolarHBondContact O-N 3.07Å; H67-W92 HydrophobicContact CB-CB 4.14Å; H67-A95 HydrophobicContact CB-CB 4.09Å; H67-S137 PolarHBondContact CE1-OG 3.25Å; H67-S137 WeakPolarHBondContact NE2-CB 3.5Å; H67-S137 PolarHBondContact NE2-OG 2.94Å
68	T	85.2	Confident	79	Confident	4 Å²	4	58.8 Å²	58.8	3%	0.025	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	134.1	177	-59.7	0	0	0	0	110.1	P60 L65 W84 H85 T86	P60-T68 HydrophobicContact CB-CG2 3.73Å; P60-T68 HydrophobicContact CG-CG2 3.94Å; P60-T68 WeakPolarHBondContact CG-O 3.43Å; L65-T68 WeakPolarHBondContact CB-OG1 3.49Å; L65-T68 HydrophobicContact CD1-CG2 4.23Å; T68-W84 HydrophobicContact CG2-CB 3.83Å; T68-W84 HydrophobicContact CG2-CD2 4.4Å; T68-W84 HydrophobicContact CG2-CG 4.06Å; T68-H85 CarbonylContact C-O 3.22Å; T68-H85 VanDerWaalsContact CA-O 3.29Å; T68-H85 WeakPolarHBondContact CA-O 3.39Å; T68-T86 WeakPolarHBondContact CG2-OG1 3.33Å; T68-T86 WeakPolarHBondContact OG1-CB 3.15Å; T68-T86 WeakPolarHBondContact OG1-CG2 3.31Å; T68-T86 PolarHBondContact OG1-OG1 3.37Å
69	H	85.6	Confident	79.3	Confident	54 Å²	54	53.5 Å²	53.5	25%	0.25	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	135.8	175.8	-177.4	-89.4	0	0	0	110.7	W84 H85 G100 Y103	H69-W84 WeakPolarHBondContact O-CA 3.45Å; H69-H85 PolarHBondContact N-O 2.95Å; H69-H85 PolarHBondContact O-N 2.91Å; H69-G100 VanDerWaalsContact CE1-CA 3.49Å; H69-G100 WeakPolarHBondContact CE1-CA 3.27Å; H69-Y103 HydrophobicContact CB-CD1 3.64Å; H69-Y103 HydrophobicContact CB-CD2 3.53Å; H69-Y103 HydrophobicContact CB-CE1 3.65Å; H69-Y103 HydrophobicContact CB-CE2 3.56Å; H69-Y103 HydrophobicContact CB-CG 3.58Å; H69-Y103 AromaticContact CD2-CD2 3.93Å; H69-Y103 AromaticContact CG-CD2 3.74Å
70	N	87.3	Confident	79.6	Confident	20 Å²	20	51.4 Å²	51.4	11%	0.107	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	127.5	174	178.7	57.3	0	0	0	110.2	Y72 V83 R124	N70-Y72 VanDerWaalsContact ND2-CE2 3.28Å; N70-Y72 WeakPolarHBondContact ND2-CE2 3.48Å; N70-Y72 PolarHBondContact ND2-OH 3.23Å; N70-V83 WeakPolarHBondContact CA-O 3.44Å; N70-V83 PolarHBondContact OD1-O 3.26Å; N70-R124 PolarHBondContact OD1-NH1 2.81Å; N70-R124 PolarHBondContact OD1-NH2 3.2Å
71	L	86.1	Confident	79.9	Confident	9 Å²	9	51.2 Å²	51.2	5%	0.047	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	144.6	178.1	62.5	100	0	0	0	109.6	L73 V83 H85 W174	L71-L73 HydrophobicContact CD1-CD1 3.97Å; L71-L73 HydrophobicContact CD1-CD2 3.74Å; L71-L73 HydrophobicContact CD1-CG 3.6Å; L71-V83 HydrophobicContact CD1-CB 3.51Å; L71-V83 HydrophobicContact CD1-CG1 3.89Å; L71-V83 HydrophobicContact CD1-CG2 4.02Å; L71-V83 HydrophobicContact CD2-CG1 4.5Å; L71-V83 HydrophobicContact CG-CB 3.81Å; L71-V83 HydrophobicContact CG-CG1 4.14Å; L71-V83 PolarHBondContact N-O 2.87Å; L71-V83 WeakPolarHBondContact O-CA 3.38Å; L71-V83 PolarHBondContact O-N 3.48Å; L71-V83 VanDerWaalsContact O-O 3.04Å; L71-H85 HydrophobicContact CD2-CB 3.87Å; L71-W174 HydrophobicContact CD1-CH2 4.28Å; L71-W174 HydrophobicContact CD1-CZ2 4.35Å; L71-W174 HydrophobicContact CD2-CH2 4.43Å
72	Y	86.1	Confident	80.3	Confident	83 Å²	83	45.9 Å²	45.9	33%	0.325	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	133.8	174.5	-66.4	-80	0	0	0	109.1	K58 N70 I81 D154	K58-Y72 WeakPolarHBondContact CE-OH 3.43Å; K58-Y72 WeakPolarHBondContact CG-OH 3.2Å; N70-Y72 VanDerWaalsContact ND2-CE2 3.28Å; N70-Y72 WeakPolarHBondContact ND2-CE2 3.48Å; N70-Y72 PolarHBondContact ND2-OH 3.23Å; Y72-I81 WeakPolarHBondContact CA-O 3.44Å; Y72-D154 HydrophobicContact CE1-CB 3.71Å; Y72-D154 PolarHBondContact OH-OD2 3.21Å
73	L	84.7	Confident	80.9	Confident	11 Å²	11	41.6 Å²	41.6	6%	0.058	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	156.2	171.6	-57.8	178.9	0	0	0	109.9	L71 P75 I81 V83 F170 I171 W174	L71-L73 HydrophobicContact CD1-CD1 3.97Å; L71-L73 HydrophobicContact CD1-CD2 3.74Å; L71-L73 HydrophobicContact CD1-CG 3.6Å; L73-P75 WeakPolarHBondContact O-CD 3.42Å; L73-I81 HydrophobicContact CB-CD1 4.43Å; L73-I81 HydrophobicContact CB-CG1 4.03Å; L73-I81 PolarHBondContact N-O 3.23Å; L73-I81 WeakPolarHBondContact O-CG1 3.32Å; L73-I81 PolarHBondContact O-N 2.93Å; L73-V83 HydrophobicContact CB-CG2 4.47Å; L73-V83 HydrophobicContact CD1-CG2 3.89Å; L73-V83 HydrophobicContact CG-CG2 4.01Å; L73-F170 HydrophobicContact CB-CE1 3.85Å; L73-F170 HydrophobicContact CD1-CE1 4.16Å; L73-I171 HydrophobicContact CD1-CD1 3.51Å; L73-W174 HydrophobicContact CD1-CD2 3.64Å; L73-W174 HydrophobicContact CD1-CE3 4.12Å; L73-W174 HydrophobicContact CD1-CG 3.85Å; L73-W174 HydrophobicContact CD1-CZ2 4.2Å; L73-W174 HydrophobicContact CD2-CZ2 4Å
74	E	84.7	Confident	81.7	Confident	109 Å²	109	39.5 Å²	39.5	51%	0.509	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	91.5	-178.6	-67.7	-177.1	173.8	0	0	109	E76 L79 K80	E74-E76 VanDerWaalsContact C-N 3.29Å; E74-L79 WeakPolarHBondContact CA-O 3.38Å; E74-K80 HydrophobicContact CG-CG 3.8Å; E74-K80 WeakPolarHBondContact OE1-CE 3.35Å; E74-K80 WeakPolarHBondContact OE1-CG 3.36Å; E74-K80 IonicContact OE1-NZ 3.82Å
75	P	76.3	Confident	82.4	Confident	26 Å²	26	37.8 Å²	37.8	17%	0.169	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	-31.2	175.4	24.2	-35.5	0	0	0	112.8	L73 L79 I81 F170	L73-P75 WeakPolarHBondContact O-CD 3.42Å; P75-L79 WeakPolarHBondContact CD-O 3.45Å; P75-L79 HydrophobicContact CG-CD2 4.01Å; P75-L79 HydrophobicContact CG-CG 4.43Å; P75-I81 HydrophobicContact CG-CD1 3.99Å; P75-I81 HydrophobicContact CG-CG1 4.27Å; P75-I81 HydrophobicContact CG-CG2 3.99Å; P75-F170 HydrophobicContact CB-CB 4.1Å; P75-F170 HydrophobicContact CB-CD1 3.78Å; P75-F170 HydrophobicContact CB-CD2 4.03Å; P75-F170 HydrophobicContact CB-CE1 4.2Å; P75-F170 HydrophobicContact CB-CE2 4.41Å; P75-F170 HydrophobicContact CB-CG 3.68Å; P75-F170 HydrophobicContact CB-CZ 4.49Å
76	E	76.9	Confident	82.8	Confident	89 Å²	89	37.8 Å²	37.8	42%	0.416	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	153.1	-179.8	-73.2	168	-151	0	0	109.8	E74 G78 L79 R149	E74-E76 VanDerWaalsContact C-N 3.29Å; E76-G78 PolarHBondContact O-N 3.08Å; E76-G78 VanDerWaalsContact O-N 3.08Å; E76-L79 HydrophobicContact CB-CB 4Å; E76-L79 HydrophobicContact CB-CD2 4.31Å; E76-L79 PolarHBondContact O-N 3Å; E76-R149 VanDerWaalsContact CD-NH1 3.29Å; E76-R149 IonicContact OE1-CZ 3.59Å; E76-R149 VanDerWaalsContact OE1-CZ 3.27Å; E76-R149 IonicContact OE1-NH1 3.9Å; E76-R149 PolarHBondContact OE1-NH1 3.36Å; E76-R149 IonicContact OE1-NH2 3.92Å; E76-R149 PolarHBondContact OE1-NH2 3.2Å; E76-R149 IonicContact OE2-NH1 3.78Å; E76-R149 PolarHBondContact OE2-NH1 2.88Å
77	A	73.5	Confident	83.1	Confident	114 Å²	114	34 Å²	34	94%	0.942	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	116.4	-179.5	0	0	0	0	0	110.8
78	G	70.4	Confident	83.3	Confident	69 Å²	69	33.4 Å²	33.4	71%	0.711	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.1	4.8	-178.5	0	0	0	0	0	115.3	E76	E76-G78 PolarHBondContact O-N 3.08Å; E76-G78 VanDerWaalsContact O-N 3.08Å
79	L	77.8	Confident	83.2	Confident	15 Å²	15	34.8 Å²	34.8	8%	0.079	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	106.5	175.1	-173	71	0	0	0	109.9	E74 P75 E76 R149 D156	E74-L79 WeakPolarHBondContact CA-O 3.38Å; P75-L79 WeakPolarHBondContact CD-O 3.45Å; P75-L79 HydrophobicContact CG-CD2 4.01Å; P75-L79 HydrophobicContact CG-CG 4.43Å; E76-L79 HydrophobicContact CB-CB 4Å; E76-L79 HydrophobicContact CB-CD2 4.31Å; E76-L79 PolarHBondContact O-N 3Å; L79-R149 HydrophobicContact CD1-CB 4.3Å; L79-R149 HydrophobicContact CD2-CB 4.13Å; L79-D156 VanDerWaalsContact CD1-C 3.41Å; L79-D156 HydrophobicContact CD1-CB 3.94Å; L79-D156 WeakPolarHBondContact CD1-O 3.39Å
80	K	80.6	Confident	83.1	Confident	99 Å²	99	38.9 Å²	38.9	43%	0.43	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	134.2	174.4	-73.3	173.1	178.7	174.5	0	110.3	E74 S155 D156	E74-K80 HydrophobicContact CG-CG 3.8Å; E74-K80 WeakPolarHBondContact OE1-CE 3.35Å; E74-K80 WeakPolarHBondContact OE1-CG 3.36Å; E74-K80 IonicContact OE1-NZ 3.82Å; K80-S155 WeakPolarHBondContact O-CA 3.4Å; K80-D156 PolarHBondContact O-N 2.89Å
81	I	82.5	Confident	82.9	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.2	170.7	63.5	176.6	0	0	0	110.4	Y72 L73 P75 V83 S155 F170 I171	Y72-I81 WeakPolarHBondContact CA-O 3.44Å; L73-I81 HydrophobicContact CB-CD1 4.43Å; L73-I81 HydrophobicContact CB-CG1 4.03Å; L73-I81 PolarHBondContact N-O 3.23Å; L73-I81 WeakPolarHBondContact O-CG1 3.32Å; L73-I81 PolarHBondContact O-N 2.93Å; P75-I81 HydrophobicContact CG-CD1 3.99Å; P75-I81 HydrophobicContact CG-CG1 4.27Å; P75-I81 HydrophobicContact CG-CG2 3.99Å; I81-V83 HydrophobicContact CG1-CG2 4.4Å; I81-S155 WeakPolarHBondContact CA-OG 3.5Å; I81-F170 HydrophobicContact CD1-CD1 4.32Å; I81-I171 HydrophobicContact CD1-CD1 3.64Å; I81-I171 HydrophobicContact CD1-CG1 4.04Å
82	G	83.3	Confident	82.8	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	125	175.7	0	0	0	0	0	111.2	R124 F146 D147 S155	G82-R124 VanDerWaalsContact C-CZ 3.49Å; G82-R124 PolarHBondContact O-NH1 3.33Å; G82-F146 VanDerWaalsContact O-CA 3.23Å; G82-F146 WeakPolarHBondContact O-CA 3.47Å; G82-F146 WeakPolarHBondContact O-CB 3.14Å; G82-D147 PolarHBondContact O-N 3.06Å; G82-S155 PolarHBondContact N-OG 2.71Å
83	V	87.2	Confident	82.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	139.1	175.7	-174.3	0	0	0	0	110.3	N70 L71 L73 I81 R124 V144 T145 F146 I171	N70-V83 WeakPolarHBondContact CA-O 3.44Å; N70-V83 PolarHBondContact OD1-O 3.26Å; L71-V83 HydrophobicContact CD1-CB 3.51Å; L71-V83 HydrophobicContact CD1-CG1 3.89Å; L71-V83 HydrophobicContact CD1-CG2 4.02Å; L71-V83 HydrophobicContact CD2-CG1 4.5Å; L71-V83 HydrophobicContact CG-CB 3.81Å; L71-V83 HydrophobicContact CG-CG1 4.14Å; L71-V83 PolarHBondContact N-O 2.87Å; L71-V83 WeakPolarHBondContact O-CA 3.38Å; L71-V83 PolarHBondContact O-N 3.48Å; L71-V83 VanDerWaalsContact O-O 3.04Å; L73-V83 HydrophobicContact CB-CG2 4.47Å; L73-V83 HydrophobicContact CD1-CG2 3.89Å; L73-V83 HydrophobicContact CG-CG2 4.01Å; I81-V83 HydrophobicContact CG1-CG2 4.4Å; V83-R124 PolarHBondContact O-NH1 3.14Å; V83-V144 HydrophobicContact CG1-CG1 3.76Å; V83-T145 CarbonylContact C-O 3.55Å; V83-T145 WeakPolarHBondContact CA-O 3.48Å; V83-T145 WeakPolarHBondContact CG1-O 3.21Å; V83-F146 HydrophobicContact CB-CB 4.29Å; V83-F146 HydrophobicContact CG1-CB 4.38Å; V83-F146 HydrophobicContact CG2-CB 3.83Å; V83-I171 HydrophobicContact CG2-CD1 3.74Å
84	W	88.8	Confident	82.4	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	129.7	169.9	-76.3	-7	0	0	0	109.4	L57 P60 Q63 L65 T68 H69 R124 G125 V130 Y133 V144 T145	L57-W84 HydrophobicContact CB-CZ2 4.23Å; L57-W84 HydrophobicContact CD2-CH2 3.98Å; L57-W84 HydrophobicContact CD2-CZ2 3.73Å; L57-W84 PolarHBondContact O-NE1 3.33Å; P60-W84 HydrophobicContact CB-CD2 4.43Å; P60-W84 HydrophobicContact CB-CZ2 4.2Å; Q63-W84 HydrophobicContact CG-CH2 4.28Å; L65-W84 HydrophobicContact CD1-CE3 4.1Å; L65-W84 HydrophobicContact CD1-CZ3 3.95Å; T68-W84 HydrophobicContact CG2-CB 3.83Å; T68-W84 HydrophobicContact CG2-CD2 4.4Å; T68-W84 HydrophobicContact CG2-CG 4.06Å; H69-W84 WeakPolarHBondContact O-CA 3.45Å; W84-R124 HydrophobicContact CD2-CG 3.89Å; W84-R124 HydrophobicContact CE3-CB 4.2Å; W84-R124 HydrophobicContact CE3-CG 3.94Å; W84-R124 HydrophobicContact CH2-CG 4.23Å; W84-R124 HydrophobicContact CZ2-CG 4.15Å; W84-R124 HydrophobicContact CZ3-CB 4.41Å; W84-R124 HydrophobicContact CZ3-CG 4.11Å; W84-R124 WeakPolarHBondContact CZ3-O 3.42Å; W84-G125 VanDerWaalsContact CH2-CA 3.44Å; W84-V130 HydrophobicContact CZ3-CG2 4.48Å; W84-Y133 HydrophobicContact CE3-CE2 4.19Å; W84-Y133 HydrophobicContact CZ3-CE2 4.31Å; W84-V144 WeakPolarHBondContact O-CA 3.49Å; W84-T145 HydrophobicContact CB-CG2 3.73Å; W84-T145 HydrophobicContact CE3-CG2 4.28Å; W84-T145 PolarHBondContact N-O 3.46Å; W84-T145 PolarHBondContact O-N 2.97Å
85	H	89.7	Confident	82.2	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	114.6	171.8	176.3	-151.2	0	0	0	109.2	T68 H69 L71 Y103 F107 H142	T68-H85 CarbonylContact C-O 3.22Å; T68-H85 VanDerWaalsContact CA-O 3.29Å; T68-H85 WeakPolarHBondContact CA-O 3.39Å; H69-H85 PolarHBondContact N-O 2.95Å; H69-H85 PolarHBondContact O-N 2.91Å; L71-H85 HydrophobicContact CD2-CB 3.87Å; H85-Y103 PolarHBondContact CE1-O 3.21Å; H85-Y103 AromaticContact ND1-CD1 3.75Å; H85-F107 HydrophobicContact CB-CZ 4.46Å; H85-F107 AromaticContact CD2-CE1 3.82Å; H85-F107 AromaticContact CD2-CZ 3.55Å; H85-F107 AromaticContact CE1-CE1 3.75Å; H85-F107 AromaticContact CE1-CE2 3.6Å; H85-F107 AromaticContact CE1-CZ 3.36Å; H85-F107 WeakPolarHBondContact CE1-CZ 3.19Å; H85-F107 AromaticContact CG-CZ 3.65Å; H85-F107 AromaticContact ND1-CE2 3.71Å; H85-F107 AromaticContact ND1-CZ 3.54Å; H85-F107 AromaticContact NE2-CE1 3.39Å; H85-F107 WeakPolarHBondContact NE2-CE1 3.14Å; H85-F107 AromaticContact NE2-CZ 3.36Å; H85-F107 WeakPolarHBondContact NE2-CZ 3.24Å; H85-H142 AromaticContact NE2-CG 3.9Å; H85-H142 AromaticContact NE2-ND1 3.23Å; H85-H142 PolarHBondContact NE2-ND1 3.03Å
86	T	88.2	Confident	82.3	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	121.9	175.6	-51.4	0	0	0	0	107.9	H67 T68 H142 V143	H67-T86 WeakPolarHBondContact CD2-CG2 3.31Å; H67-T86 VanDerWaalsContact NE2-CG2 3.3Å; H67-T86 WeakPolarHBondContact NE2-CG2 3.43Å; T68-T86 WeakPolarHBondContact CG2-OG1 3.33Å; T68-T86 WeakPolarHBondContact OG1-CB 3.15Å; T68-T86 WeakPolarHBondContact OG1-CG2 3.31Å; T68-T86 PolarHBondContact OG1-OG1 3.37Å; T86-H142 WeakPolarHBondContact O-CA 3.07Å; T86-V143 PolarHBondContact N-O 3.13Å; T86-V143 PolarHBondContact O-N 3.48Å
87	V	88.2	Confident	82.2	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-80.7	161.3	175.4	-63.8	0	0	0	0	111.2	H67 M91 A95 W102 Y103 T106 S137	H67-V87 HydrophobicContact CB-CG2 3.77Å; H67-V87 PolarHBondContact CD2-O 2.97Å; H67-V87 PolarHBondContact NE2-O 3.16Å; H67-V87 WeakPolarHBondContact O-CG2 3.4Å; H67-V87 PolarHBondContact O-N 3.07Å; V87-M91 HydrophobicContact CB-CB 4.43Å; V87-M91 HydrophobicContact CG2-CB 4.2Å; V87-A95 HydrophobicContact CG2-CB 3.84Å; V87-W102 HydrophobicContact CG1-CZ3 4.21Å; V87-Y103 HydrophobicContact CG1-CD1 3.68Å; V87-Y103 HydrophobicContact CG1-CE1 3.78Å; V87-Y103 HydrophobicContact CG2-CE1 4.33Å; V87-T106 HydrophobicContact CG1-CG2 4.26Å; V87-S137 PolarHBondContact O-OG 3.39Å
88	P	86.6	Confident	82.5	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-49.7	143.9	171.4	-32.3	36.2	0	0	0	112.6	Q90 M91 H111 H142	P88-Q90 PolarHBondContact O-N 2.75Å; P88-M91 HydrophobicContact CG-SD 4.27Å; P88-M91 PolarHBondContact O-N 3.43Å; P88-H111 HydrophobicContact CG-CB 4Å; P88-H142 WeakPolarHBondContact CD-CE1 3.45Å; P88-H142 VanDerWaalsContact CD-ND1 3.28Å; P88-H142 WeakPolarHBondContact CD-ND1 3.5Å
89	A	83.9	Confident	82.9	Confident	33 Å²	33	54 Å²	54	27%	0.273	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-61.5	-18.9	179.8	0	0	0	0	0	112.5	M91 W92 S137	A89-M91 VanDerWaalsContact C-N 3.33Å; A89-W92 WeakPolarHBondContact O-CB 3.23Å; A89-S137 WeakPolarHBondContact CB-O 3.37Å; A89-S137 PolarHBondContact N-O 3.36Å; A89-S137 PolarHBondContact N-OG 3.1Å
90	Q	83.4	Confident	82.8	Confident	140 Å²	140	54.2 Å²	54.2	65%	0.654	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-69.5	-31.8	174.5	-64.1	173.4	4.5	0	0	112.2	P88 W92	P88-Q90 PolarHBondContact O-N 2.75Å; Q90-W92 VanDerWaalsContact C-N 3.3Å; Q90-W92 PolarHBondContact O-N 2.95Å
91	M	82.9	Confident	82.9	Confident	34 Å²	34	54.7 Å²	54.7	17%	0.167	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-90.1	9.1	-178.7	-64.1	175.9	167.5	0	0	112.9	V87 P88 A89 R93 D94 A95 T106 H111	V87-M91 HydrophobicContact CB-CB 4.43Å; V87-M91 HydrophobicContact CG2-CB 4.2Å; P88-M91 HydrophobicContact CG-SD 4.27Å; P88-M91 PolarHBondContact O-N 3.43Å; A89-M91 VanDerWaalsContact C-N 3.33Å; M91-R93 VanDerWaalsContact C-N 3.28Å; M91-R93 PolarHBondContact O-N 3.15Å; M91-D94 PolarHBondContact O-N 3.44Å; M91-A95 WeakPolarHBondContact O-CB 3.44Å; M91-A95 PolarHBondContact O-N 3.23Å; M91-T106 HydrophobicContact CE-CG2 4.3Å; M91-T106 HydrophobicContact SD-CG2 3.53Å; M91-T106 VanDerWaalsContact SD-CG2 3.53Å; M91-H111 WeakPolarHBondContact CE-CD2 3.46Å; M91-H111 WeakPolarHBondContact CE-NE2 3.42Å
92	W	83.1	Confident	83	Confident	84 Å²	84	57.4 Å²	57.4	32%	0.318	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-34.8	-173.3	78.6	-79.1	0	0	0	113.4	H67 A89 Q90 Q96	H67-W92 HydrophobicContact CB-CB 4.14Å; A89-W92 WeakPolarHBondContact O-CB 3.23Å; Q90-W92 VanDerWaalsContact C-N 3.3Å; Q90-W92 PolarHBondContact O-N 2.95Å; W92-Q96 WeakPolarHBondContact O-CG 3.23Å
93	R	81.7	Confident	82.9	Confident	173 Å²	173	58 Å²	58	65%	0.653	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-45.2	178.9	-64.5	-175.7	-173.1	-101.5	2.5	110.7	M91 A95 Q96	M91-R93 VanDerWaalsContact C-N 3.28Å; M91-R93 PolarHBondContact O-N 3.15Å; R93-A95 PolarHBondContact O-N 2.7Å; R93-Q96 PolarHBondContact O-N 3.39Å
94	D	81.4	Confident	82.6	Confident	98 Å²	98	61.8 Å²	61.8	52%	0.524	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-27.5	-178.6	-58.5	-40.4	0	0	0	111.9	M91 Q96 K98 W102	M91-D94 PolarHBondContact O-N 3.44Å; D94-Q96 VanDerWaalsContact C-N 3.31Å; D94-K98 WeakPolarHBondContact O-CE 3.29Å; D94-K98 WeakPolarHBondContact O-CG 3.43Å; D94-W102 HydrophobicContact CB-CH2 4.21Å; D94-W102 HydrophobicContact CB-CZ2 3.68Å
95	A	80.1	Confident	82.3	Confident	4 Å²	4	65.1 Å²	65.1	3%	0.033	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-16.9	178.6	0	0	0	0	0	114.1	H67 V87 M91 R93 D97 K98 W102 Y103	H67-A95 HydrophobicContact CB-CB 4.09Å; V87-A95 HydrophobicContact CG2-CB 3.84Å; M91-A95 WeakPolarHBondContact O-CB 3.44Å; M91-A95 PolarHBondContact O-N 3.23Å; R93-A95 PolarHBondContact O-N 2.7Å; A95-D97 PolarHBondContact O-N 3.47Å; A95-K98 PolarHBondContact O-N 3.04Å; A95-W102 VanDerWaalsContact CA-CZ3 3.46Å; A95-W102 HydrophobicContact CB-CH2 3.67Å; A95-W102 HydrophobicContact CB-CZ3 3.55Å; A95-Y103 HydrophobicContact CB-CE1 4.5Å; A95-Y103 PolarHBondContact O-OH 2.88Å
96	Q	77.3	Confident	82	Confident	96 Å²	96	65.6 Å²	65.6	45%	0.449	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	132.9	178.3	-66.3	-169.6	-28.1	0	0	110.3	W92 R93 D94 K98	W92-Q96 WeakPolarHBondContact O-CG 3.23Å; R93-Q96 PolarHBondContact O-N 3.39Å; D94-Q96 VanDerWaalsContact C-N 3.31Å; Q96-K98 PolarHBondContact O-N 3.38Å; Q96-K98 VanDerWaalsContact O-N 3.11Å
97	D	75.1	Confident	81.5	Confident	171 Å²	171	65.7 Å²	65.7	91%	0.914	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	18.1	178.6	-52.4	-44.4	0	0	0	115.5	A95	A95-D97 PolarHBondContact O-N 3.47Å
98	K	79.9	Confident	80.7	Confident	104 Å²	104	69 Å²	69	45%	0.452	35%	0.346	S	S	.	.			trans	-88.6	149.9	175.7	-62.3	-58.5	-178.3	-174.2	0	112.8	D94 A95 Q96 W102 Y103	D94-K98 WeakPolarHBondContact O-CE 3.29Å; D94-K98 WeakPolarHBondContact O-CG 3.43Å; A95-K98 PolarHBondContact O-N 3.04Å; Q96-K98 PolarHBondContact O-N 3.38Å; Q96-K98 VanDerWaalsContact O-N 3.11Å; K98-W102 HydrophobicContact CB-CB 3.88Å; K98-W102 HydrophobicContact CB-CD2 3.79Å; K98-W102 HydrophobicContact CB-CE3 3.73Å; K98-W102 HydrophobicContact CB-CG 3.85Å; K98-W102 HydrophobicContact CD-CD2 4.42Å; K98-W102 HydrophobicContact CD-CG 4.12Å; K98-W102 HydrophobicContact CG-CB 4.34Å; K98-W102 HydrophobicContact CG-CD2 3.7Å; K98-W102 HydrophobicContact CG-CE3 3.98Å; K98-W102 HydrophobicContact CG-CG 3.85Å; K98-Y103 HydrophobicContact CB-CE2 4.34Å
99	D	79.8	Confident	80	Confident	84 Å²	84	70.1 Å²	70.1	45%	0.449	35%	0.354	S	S	.	.			trans	-84.1	168.3	178.1	77.2	-21	0	0	0	112	N101 W102 Y103	D99-N101 PolarHBondContact O-N 3.14Å; D99-N101 VanDerWaalsContact O-N 3.09Å; D99-N101 PolarHBondContact OD1-N 2.99Å; D99-N101 WeakPolarHBondContact OD2-CB 3.47Å; D99-N101 PolarHBondContact OD2-ND2 3.39Å; D99-W102 PolarHBondContact O-N 3.19Å; D99-W102 VanDerWaalsContact O-N 3.16Å; D99-W102 PolarHBondContact OD1-N 2.92Å; D99-W102 VanDerWaalsContact OD1-N 3.07Å; D99-Y103 WeakPolarHBondContact O-CD2 3.4Å; D99-Y103 PolarHBondContact O-N 2.77Å
100	G	76.2	Confident	79.4	Confident	19 Å²	19	72.5 Å²	72.5	20%	0.196	37%	0.374	C	S	.	.	H	α-helix	trans	-60.9	-19.5	179.1	0	0	0	0	0	114.5	H69 R104	H69-G100 VanDerWaalsContact CE1-CA 3.49Å; H69-G100 WeakPolarHBondContact CE1-CA 3.27Å; G100-R104 WeakPolarHBondContact O-CD 3.21Å; G100-R104 VanDerWaalsContact O-CG 3.24Å; G100-R104 WeakPolarHBondContact O-CG 3.39Å; G100-R104 PolarHBondContact O-N 2.77Å; G100-R104 VanDerWaalsContact O-N 3.12Å
101	N	81.8	Confident	79.2	Confident	109 Å²	109	67.9 Å²	67.9	58%	0.583	35%	0.352	S	S	*	.	H	α-helix	trans	-73.1	-40.5	176.8	-64.3	-42.2	0	0	0	111.5	D99 Y103 R104 S105	D99-N101 PolarHBondContact O-N 3.14Å; D99-N101 VanDerWaalsContact O-N 3.09Å; D99-N101 PolarHBondContact OD1-N 2.99Å; D99-N101 WeakPolarHBondContact OD2-CB 3.47Å; D99-N101 PolarHBondContact OD2-ND2 3.39Å; N101-Y103 PolarHBondContact O-N 3Å; N101-R104 WeakPolarHBondContact O-CB 3.37Å; N101-R104 PolarHBondContact O-N 2.76Å; N101-R104 VanDerWaalsContact O-N 3.16Å; N101-S105 PolarHBondContact O-N 3.03Å; N101-S105 PolarHBondContact O-OG 2.86Å
102	W	84.7	Confident	79	Confident	57 Å²	57	67.6 Å²	67.6	22%	0.216	35%	0.353	C	S	.	.	H	α-helix	trans	-60.7	-44.6	173.7	-178.9	85.6	0	0	0	111.9	V87 D94 A95 K98 D99 R104 S105 T106	V87-W102 HydrophobicContact CG1-CZ3 4.21Å; D94-W102 HydrophobicContact CB-CH2 4.21Å; D94-W102 HydrophobicContact CB-CZ2 3.68Å; A95-W102 VanDerWaalsContact CA-CZ3 3.46Å; A95-W102 HydrophobicContact CB-CH2 3.67Å; A95-W102 HydrophobicContact CB-CZ3 3.55Å; K98-W102 HydrophobicContact CB-CB 3.88Å; K98-W102 HydrophobicContact CB-CD2 3.79Å; K98-W102 HydrophobicContact CB-CE3 3.73Å; K98-W102 HydrophobicContact CB-CG 3.85Å; K98-W102 HydrophobicContact CD-CD2 4.42Å; K98-W102 HydrophobicContact CD-CG 4.12Å; K98-W102 HydrophobicContact CG-CB 4.34Å; K98-W102 HydrophobicContact CG-CD2 3.7Å; K98-W102 HydrophobicContact CG-CE3 3.98Å; K98-W102 HydrophobicContact CG-CG 3.85Å; D99-W102 PolarHBondContact O-N 3.19Å; D99-W102 VanDerWaalsContact O-N 3.16Å; D99-W102 PolarHBondContact OD1-N 2.92Å; D99-W102 VanDerWaalsContact OD1-N 3.07Å; W102-R104 VanDerWaalsContact C-N 3.27Å; W102-R104 PolarHBondContact O-N 3.18Å; W102-S105 WeakPolarHBondContact CA-OG 3.31Å; W102-S105 PolarHBondContact O-N 2.78Å; W102-S105 VanDerWaalsContact O-N 3.16Å; W102-S105 PolarHBondContact O-OG 3.11Å; W102-T106 PolarHBondContact O-N 3.4Å; W102-T106 PolarHBondContact O-OG1 2.71Å
103	Y	81.7	Confident	78.9	Confident	11 Å²	11	63.6 Å²	63.6	4%	0.043	34%	0.338	C	S	.	.	H	α-helix	trans	-58.3	-41.6	174.3	-80.3	-88.3	0	0	0	111.3	H69 H85 V87 A95 K98 D99 N101 T106	H69-Y103 HydrophobicContact CB-CD1 3.64Å; H69-Y103 HydrophobicContact CB-CD2 3.53Å; H69-Y103 HydrophobicContact CB-CE1 3.65Å; H69-Y103 HydrophobicContact CB-CE2 3.56Å; H69-Y103 HydrophobicContact CB-CG 3.58Å; H69-Y103 AromaticContact CD2-CD2 3.93Å; H69-Y103 AromaticContact CG-CD2 3.74Å; H85-Y103 PolarHBondContact CE1-O 3.21Å; H85-Y103 AromaticContact ND1-CD1 3.75Å; V87-Y103 HydrophobicContact CG1-CD1 3.68Å; V87-Y103 HydrophobicContact CG1-CE1 3.78Å; V87-Y103 HydrophobicContact CG2-CE1 4.33Å; A95-Y103 HydrophobicContact CB-CE1 4.5Å; A95-Y103 PolarHBondContact O-OH 2.88Å; K98-Y103 HydrophobicContact CB-CE2 4.34Å; D99-Y103 WeakPolarHBondContact O-CD2 3.4Å; D99-Y103 PolarHBondContact O-N 2.77Å; N101-Y103 PolarHBondContact O-N 3Å; Y103-T106 WeakPolarHBondContact O-CB 3.27Å; Y103-T106 PolarHBondContact O-N 2.96Å
104	R	81	Confident	78.7	Confident	81 Å²	81	55.5 Å²	55.5	31%	0.306	31%	0.308	S	S	.	.	H	α-helix	trans	-65	-40	175.9	-72.2	167.5	-173.4	-91.4	-1.1	112.9	G100 N101 W102 T106 F107	G100-R104 WeakPolarHBondContact O-CD 3.21Å; G100-R104 VanDerWaalsContact O-CG 3.24Å; G100-R104 WeakPolarHBondContact O-CG 3.39Å; G100-R104 PolarHBondContact O-N 2.77Å; G100-R104 VanDerWaalsContact O-N 3.12Å; N101-R104 WeakPolarHBondContact O-CB 3.37Å; N101-R104 PolarHBondContact O-N 2.76Å; N101-R104 VanDerWaalsContact O-N 3.16Å; W102-R104 VanDerWaalsContact C-N 3.27Å; W102-R104 PolarHBondContact O-N 3.18Å; R104-T106 PolarHBondContact O-N 2.96Å; R104-F107 WeakPolarHBondContact O-CD2 3.37Å; R104-F107 PolarHBondContact O-N 3.17Å
105	S	81.9	Confident	78.6	Confident	69 Å²	69	51 Å²	51	48%	0.483	28%	0.283	S	S	.	.	H	α-helix	trans	-68.7	-22.5	176.2	57	0	0	0	0	112.8	N101 W102 F107 S108	N101-S105 PolarHBondContact O-N 3.03Å; N101-S105 PolarHBondContact O-OG 2.86Å; W102-S105 WeakPolarHBondContact CA-OG 3.31Å; W102-S105 PolarHBondContact O-N 2.78Å; W102-S105 VanDerWaalsContact O-N 3.16Å; W102-S105 PolarHBondContact O-OG 3.11Å; S105-F107 PolarHBondContact O-N 3.46Å; S105-S108 WeakPolarHBondContact O-CB 3.35Å; S105-S108 PolarHBondContact O-N 2.98Å; S105-S108 VanDerWaalsContact O-N 3.11Å
106	T	82.4	Confident	78.5	Confident	10 Å²	10	50.9 Å²	50.9	6%	0.061	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-69.2	-17.8	-179.8	-42.2	0	0	0	0	112.3	V87 M91 W102 Y103 R104 S108 S109 H142	V87-T106 HydrophobicContact CG1-CG2 4.26Å; M91-T106 HydrophobicContact CE-CG2 4.3Å; M91-T106 HydrophobicContact SD-CG2 3.53Å; M91-T106 VanDerWaalsContact SD-CG2 3.53Å; W102-T106 PolarHBondContact O-N 3.4Å; W102-T106 PolarHBondContact O-OG1 2.71Å; Y103-T106 WeakPolarHBondContact O-CB 3.27Å; Y103-T106 PolarHBondContact O-N 2.96Å; R104-T106 PolarHBondContact O-N 2.96Å; T106-S108 PolarHBondContact O-N 3.49Å; T106-S109 WeakPolarHBondContact O-CB 2.99Å; T106-S109 PolarHBondContact O-N 2.72Å; T106-S109 PolarHBondContact O-OG 2.96Å; T106-H142 WeakPolarHBondContact CG2-CE1 3.17Å
107	F	78.3	Confident	78.4	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.009	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-65.3	-16.8	171.6	-70	-65.2	0	0	0	113.9	H85 R104 S105 S109 V113 V144 W174 L175 R178	H85-F107 HydrophobicContact CB-CZ 4.46Å; H85-F107 AromaticContact CD2-CE1 3.82Å; H85-F107 AromaticContact CD2-CZ 3.55Å; H85-F107 AromaticContact CE1-CE1 3.75Å; H85-F107 AromaticContact CE1-CE2 3.6Å; H85-F107 AromaticContact CE1-CZ 3.36Å; H85-F107 WeakPolarHBondContact CE1-CZ 3.19Å; H85-F107 AromaticContact CG-CZ 3.65Å; H85-F107 AromaticContact ND1-CE2 3.71Å; H85-F107 AromaticContact ND1-CZ 3.54Å; H85-F107 AromaticContact NE2-CE1 3.39Å; H85-F107 WeakPolarHBondContact NE2-CE1 3.14Å; H85-F107 AromaticContact NE2-CZ 3.36Å; H85-F107 WeakPolarHBondContact NE2-CZ 3.24Å; R104-F107 WeakPolarHBondContact O-CD2 3.37Å; R104-F107 PolarHBondContact O-N 3.17Å; S105-F107 PolarHBondContact O-N 3.46Å; F107-S109 VanDerWaalsContact C-N 3.29Å; F107-V113 HydrophobicContact CD1-CG2 4.09Å; F107-V113 HydrophobicContact CE1-CG1 4.43Å; F107-V113 HydrophobicContact CE1-CG2 4.45Å; F107-V144 HydrophobicContact CE1-CG2 3.74Å; F107-V144 HydrophobicContact CZ-CG2 3.87Å; F107-W174 AromaticContact CE2-CH2 3.75Å; F107-W174 HydrophobicContact CE2-CH2 3.75Å; F107-W174 AromaticContact CE2-CZ3 3.97Å; F107-W174 HydrophobicContact CE2-CZ3 3.97Å; F107-W174 HydrophobicContact CZ-CH2 4.22Å; F107-W174 HydrophobicContact CZ-CZ3 4.04Å; F107-L175 HydrophobicContact CD1-CD2 4.31Å; F107-L175 HydrophobicContact CE1-CD2 3.7Å; F107-L175 HydrophobicContact CZ-CD2 3.93Å; F107-R178 HydrophobicContact CB-CB 4.28Å
108	S	71.6	Confident	78.2	Confident	69 Å²	69	38.2 Å²	38.2	48%	0.483	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-86.2	2.7	171.4	-51.3	0	0	0	0	113.1	S105 T106	S105-S108 WeakPolarHBondContact O-CB 3.35Å; S105-S108 PolarHBondContact O-N 2.98Å; S105-S108 VanDerWaalsContact O-N 3.11Å; T106-S108 PolarHBondContact O-N 3.49Å
109	S	70.9	Confident	77.4	Confident	24 Å²	24	33.4 Å²	33.4	17%	0.168	20%	0.197	C	C	.	.	S	Bend	trans	-76.1	159.6	173.8	74	0	0	0	0	111.3	T106 F107 H111 H142 L183	T106-S109 WeakPolarHBondContact O-CB 2.99Å; T106-S109 PolarHBondContact O-N 2.72Å; T106-S109 PolarHBondContact O-OG 2.96Å; F107-S109 VanDerWaalsContact C-N 3.29Å; S109-H111 PolarHBondContact O-N 3.07Å; S109-H142 PolarHBondContact OG-NE2 2.99Å; S109-H142 VanDerWaalsContact OG-NE2 3.07Å; S109-L183 WeakPolarHBondContact O-CD1 3.47Å
110	A	72.4	Confident	76.2	Confident	84 Å²	84	31.2 Å²	31.2	69%	0.694	19%	0.186	S	C	*	.	S	Bend	trans	-69.8	11.5	-178.8	0	0	0	0	0	114.8
111	H	79.4	Confident	74.9	Confident	42 Å²	42	32.5 Å²	32.5	19%	0.194	19%	0.194	C	C	.	.			trans	-92.7	134.2	-176.7	-68.6	-80.7	0	0	0	112.1	P88 M91 S109 G140	P88-H111 HydrophobicContact CG-CB 4Å; M91-H111 WeakPolarHBondContact CE-CD2 3.46Å; M91-H111 WeakPolarHBondContact CE-NE2 3.42Å; S109-H111 PolarHBondContact O-N 3.07Å; H111-G140 PolarHBondContact ND1-O 3.36Å; H111-G140 VanDerWaalsContact ND1-O 3.13Å
112	P	77.8	Confident	73.8	Confident	28 Å²	28	27.7 Å²	27.7	18%	0.182	17%	0.171	C	C	.	.			trans	-63.8	150.8	175.1	24.2	-33.5	0	0	0	112.9	Y141 H142 P184 Y186	P112-Y141 HydrophobicContact CB-CD1 3.73Å; P112-Y141 HydrophobicContact CB-CE1 3.77Å; P112-Y141 HydrophobicContact CG-CD1 3.33Å; P112-Y141 HydrophobicContact CG-CE1 3.24Å; P112-Y141 HydrophobicContact CG-CG 4.36Å; P112-Y141 WeakPolarHBondContact O-CA 3.38Å; P112-H142 PolarHBondContact O-N 3.22Å; P112-P184 HydrophobicContact CB-CG 4.11Å; P112-Y186 HydrophobicContact CB-CD2 4.32Å; P112-Y186 HydrophobicContact CB-CE2 3.86Å
113	V	80.7	Confident	73	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	137.6	-178.5	-177.5	0	0	0	0	110.6	F107 H142 V144 L175 M179 L185 Y186	F107-V113 HydrophobicContact CD1-CG2 4.09Å; F107-V113 HydrophobicContact CE1-CG1 4.43Å; F107-V113 HydrophobicContact CE1-CG2 4.45Å; V113-H142 CarbonylContact C-O 3.55Å; V113-H142 WeakPolarHBondContact CA-O 3.2Å; V113-H142 HydrophobicContact CB-CB 4.24Å; V113-H142 HydrophobicContact CG1-CB 4.2Å; V113-H142 HydrophobicContact CG2-CB 3.84Å; V113-V144 HydrophobicContact CG1-CG2 3.99Å; V113-L175 HydrophobicContact CG1-CD1 4.45Å; V113-L175 HydrophobicContact CG1-CD2 4.43Å; V113-M179 HydrophobicContact CB-CE 3.59Å; V113-M179 HydrophobicContact CB-SD 3.67Å; V113-M179 HydrophobicContact CG1-SD 4.17Å; V113-M179 HydrophobicContact CG2-CE 3.43Å; V113-M179 VanDerWaalsContact CG2-CE 3.43Å; V113-M179 HydrophobicContact CG2-CG 4Å; V113-M179 HydrophobicContact CG2-SD 3.56Å; V113-M179 VanDerWaalsContact CG2-SD 3.56Å; V113-L185 HydrophobicContact CB-CD1 3.99Å; V113-L185 HydrophobicContact CG1-CD1 3.92Å; V113-Y186 PolarHBondContact O-N 3.29Å
114	I	78.4	Confident	72.6	Confident	3 Å²	3	24.7 Å²	24.7	2%	0.015	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	116.5	173.3	-57.5	177.2	0	0	0	109.3	L136 Y141 H142 V144 Y186 W188	I114-L136 HydrophobicContact CD1-CB 4.42Å; I114-L136 HydrophobicContact CD1-CD1 4.19Å; I114-L136 HydrophobicContact CD1-CD2 3.78Å; I114-L136 HydrophobicContact CD1-CG 4.35Å; I114-L136 HydrophobicContact CG2-CD1 4.27Å; I114-Y141 HydrophobicContact CD1-CD1 3.72Å; I114-Y141 HydrophobicContact CD1-CD2 4.04Å; I114-Y141 HydrophobicContact CD1-CE1 4.43Å; I114-Y141 HydrophobicContact CD1-CG 3.55Å; I114-Y141 HydrophobicContact CG1-CD1 3.86Å; I114-Y141 HydrophobicContact CG1-CG 4.05Å; I114-H142 PolarHBondContact N-O 2.98Å; I114-V144 PolarHBondContact O-N 3.09Å; I114-Y186 CarbonylContact C-O 3.48Å; I114-Y186 VanDerWaalsContact CA-O 3.23Å; I114-Y186 WeakPolarHBondContact CA-O 3.38Å; I114-Y186 HydrophobicContact CG1-CD2 4.38Å; I114-W188 HydrophobicContact CG2-CB 3.9Å
115	L	79.5	Confident	72.1	Confident	2 Å²	2	20.9 Å²	20.9	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	103.6	169.2	176.9	57.8	0	0	0	110	L117 V144 F146 I171 L175 L185 Y186 I187 W188	L115-L117 HydrophobicContact CD1-CD2 4.42Å; L115-L117 HydrophobicContact CD2-CD2 4.42Å; L115-L117 HydrophobicContact CG-CD2 4.17Å; L115-L117 HydrophobicContact CG-CG 4.37Å; L115-V144 CarbonylContact C-O 3.51Å; L115-V144 WeakPolarHBondContact CA-O 2.98Å; L115-V144 HydrophobicContact CD1-CG1 4.34Å; L115-F146 HydrophobicContact CD1-CD1 4.12Å; L115-F146 HydrophobicContact CD1-CE1 4Å; L115-I171 HydrophobicContact CD1-CG2 3.52Å; L115-I171 HydrophobicContact CD2-CG2 4.32Å; L115-L175 HydrophobicContact CB-CD1 4.2Å; L115-L175 HydrophobicContact CD1-CD1 4.12Å; L115-L175 HydrophobicContact CD2-CD1 4.47Å; L115-L175 HydrophobicContact CG-CD1 4.49Å; L115-L185 HydrophobicContact CB-CD1 4.31Å; L115-Y186 PolarHBondContact N-O 2.92Å; L115-I187 CarbonylContact O-C 3.59Å; L115-W188 PolarHBondContact O-N 3.03Å
116	Y	78.6	Confident	71.7	Confident	2 Å²	2	17.8 Å²	17.8	1%	0.008	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	112.7	179.2	-175.8	-93.8	0	0	0	112.6	H118 R129 L132 Y133 V144 T145 W188 H190	Y116-H118 HydrophobicContact CD1-CB 4.2Å; Y116-H118 HydrophobicContact CE1-CB 3.69Å; Y116-R129 HydrophobicContact CE1-CB 4.48Å; Y116-R129 HydrophobicContact CE1-CG 4.46Å; Y116-L132 HydrophobicContact CD2-CD2 3.98Å; Y116-L132 HydrophobicContact CE2-CD2 3.28Å; Y116-Y133 AromaticContact CD1-CE1 3.49Å; Y116-Y133 HydrophobicContact CD1-CE1 3.49Å; Y116-Y133 VanDerWaalsContact CD1-CE1 3.49Å; Y116-Y133 AromaticContact CD1-CZ 3.94Å; Y116-Y133 WeakPolarHBondContact CD1-OH 3.21Å; Y116-Y133 HydrophobicContact CD2-CE1 4.46Å; Y116-Y133 AromaticContact CE1-CE1 3.84Å; Y116-Y133 HydrophobicContact CE1-CE1 3.84Å; Y116-Y133 AromaticContact CG-CE1 3.8Å; Y116-Y133 HydrophobicContact CG-CE1 3.8Å; Y116-V144 PolarHBondContact N-O 2.94Å; Y116-T145 PolarHBondContact O-OG1 3.42Å; Y116-W188 WeakPolarHBondContact CA-O 3.23Å; Y116-W188 HydrophobicContact CD2-CB 3.97Å; Y116-W188 AromaticContact CD2-CD1 3.27Å; Y116-W188 AromaticContact CD2-CG 3.69Å; Y116-W188 HydrophobicContact CD2-CG 3.69Å; Y116-W188 AromaticContact CD2-NE1 3.98Å; Y116-W188 AromaticContact CE2-CD1 3.21Å; Y116-W188 HydrophobicContact CE2-CG 4.05Å; Y116-W188 AromaticContact CE2-NE1 3.51Å; Y116-H190 HydrophobicContact CE2-CB 4.27Å; Y116-H190 WeakPolarHBondContact OH-CB 3.48Å
117	L	75.1	Confident	71.1	Confident	2 Å²	2	22.1 Å²	22.1	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	103.3	177.9	-62.7	-177.6	0	0	0	109.8	L115 F146 Y148 A168 I187 W188 H190 S197	L115-L117 HydrophobicContact CD1-CD2 4.42Å; L115-L117 HydrophobicContact CD2-CD2 4.42Å; L115-L117 HydrophobicContact CG-CD2 4.17Å; L115-L117 HydrophobicContact CG-CG 4.37Å; L117-F146 HydrophobicContact CD2-CD1 4.32Å; L117-F146 HydrophobicContact CD2-CE1 3.22Å; L117-F146 HydrophobicContact CD2-CZ 3.45Å; L117-F146 VanDerWaalsContact CD2-CZ 3.45Å; L117-Y148 WeakPolarHBondContact CB-OH 3.48Å; L117-A168 HydrophobicContact CD2-CB 4.22Å; L117-I187 HydrophobicContact CD1-CG2 3.59Å; L117-I187 HydrophobicContact CG-CG2 4.17Å; L117-W188 PolarHBondContact N-O 3.27Å; L117-H190 PolarHBondContact O-N 3.39Å; L117-S197 VanDerWaalsContact CD1-CB 3.46Å
118	H	70.3	Confident	70.7	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-77.1	159.2	-171.7	73.8	70.6	0	0	0	113.2	Y116 R129 F146 D147 Y148 G193	Y116-H118 HydrophobicContact CD1-CB 4.2Å; Y116-H118 HydrophobicContact CE1-CB 3.69Å; H118-R129 PolarHBondContact ND1-NH1 3.15Å; H118-R129 VanDerWaalsContact ND1-NH1 3.13Å; H118-F146 PolarHBondContact CD2-O 3.48Å; H118-F146 PolarHBondContact NE2-O 3.02Å; H118-D147 IonicContact NE2-OD1 2.68Å; H118-Y148 AromaticContact CE1-CD2 3.53Å; H118-Y148 AromaticContact CE1-CE2 3.76Å; H118-Y148 AromaticContact ND1-CE2 3.94Å; H118-Y148 AromaticContact NE2-CD2 3.63Å; H118-Y148 AromaticContact NE2-CE2 3.87Å; H118-Y148 WeakPolarHBondContact O-CE2 3.32Å; H118-G193 VanDerWaalsContact O-CA 3.27Å; H118-G193 WeakPolarHBondContact O-CA 3.47Å
119	G	62.2	Low	70.9	Confident	2 Å²	2	20.3 Å²	20.3	2%	0.021	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-80.6	174	178.2	0	0	0	0	0	114.6	R129 H190	G119-R129 PolarHBondContact O-NH2 2.87Å; G119-H190 WeakPolarHBondContact CA-O 3.18Å; G119-H190 PolarHBondContact N-O 3.46Å
120	N	55.7	Low	71.4	Confident	39 Å²	39	19.4 Å²	19.4	21%	0.209	12%	0.124	C	C	.	.	S	Bend	trans	-63.7	155.4	173.7	-165.1	20.1	0	0	0	112.6	V44 F45 L192	V44-N120 PolarHBondContact O-ND2 3.46Å; F45-N120 VanDerWaalsContact C-OD1 3.28Å; F45-N120 PolarHBondContact O-OD1 2.73Å; F45-N120 VanDerWaalsContact O-OD1 3.06Å; N120-L192 HydrophobicContact CB-CB 3.66Å; N120-L192 HydrophobicContact CB-CD1 4.26Å; N120-L192 HydrophobicContact CB-CD2 3.55Å; N120-L192 HydrophobicContact CB-CG 4.03Å
121	A	49.4	Very low	71.7	Confident	45 Å²	45	19.1 Å²	19.1	37%	0.372	11%	0.108	S	C	.	.	S	Bend	trans	64.3	103.8	-175.8	0	0	0	0	0	113.4	L46 R129	L46-A121 HydrophobicContact CB-CB 4.1Å; L46-A121 HydrophobicContact CD1-CB 3.79Å; L46-A121 HydrophobicContact CG-CB 4.46Å; A121-R129 PolarHBondContact O-NH2 2.91Å
122	G	57.6	Low	71.6	Confident	9 Å²	9	17.6 Å²	17.6	9%	0.093	10%	0.102	C	C	.	.	S	Bend	trans	103.5	171.9	174.5	0	0	0	0	0	115.4	V51 R129	V51-G122 WeakPolarHBondContact O-CA 3.41Å; G122-R129 PolarHBondContact O-NH1 2.88Å
123	T	67.9	Low	71.8	Confident	5 Å²	5	16.3 Å²	16.3	3%	0.031	9%	0.093	C	C	.	.			trans	-98.6	166.4	-171.9	61.6	0	0	0	0	111.9	V51 L57 G125 G126 R129	V51-T123 PolarHBondContact O-N 2.81Å; L57-T123 HydrophobicContact CD1-CG2 4.04Å; T123-G125 PolarHBondContact O-N 3.05Å; T123-G125 PolarHBondContact OG1-N 2.55Å; T123-G126 PolarHBondContact O-N 3.33Å; T123-R129 WeakPolarHBondContact O-CD 3.49Å; T123-R129 PolarHBondContact O-NH1 3.08Å
124	R	73.9	Confident	71.9	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-24.8	169.6	61	-167.1	159.8	148.8	6.7	113.7	L57 N70 G82 V83 W84 G126 Y133 T145 D147 D154	L57-R124 HydrophobicContact CD2-CG 4Å; N70-R124 PolarHBondContact OD1-NH1 2.81Å; N70-R124 PolarHBondContact OD1-NH2 3.2Å; G82-R124 VanDerWaalsContact C-CZ 3.49Å; G82-R124 PolarHBondContact O-NH1 3.33Å; V83-R124 PolarHBondContact O-NH1 3.14Å; W84-R124 HydrophobicContact CD2-CG 3.89Å; W84-R124 HydrophobicContact CE3-CB 4.2Å; W84-R124 HydrophobicContact CE3-CG 3.94Å; W84-R124 HydrophobicContact CH2-CG 4.23Å; W84-R124 HydrophobicContact CZ2-CG 4.15Å; W84-R124 HydrophobicContact CZ3-CB 4.41Å; W84-R124 HydrophobicContact CZ3-CG 4.11Å; W84-R124 WeakPolarHBondContact CZ3-O 3.42Å; R124-G126 PolarHBondContact O-N 3.38Å; R124-Y133 WeakPolarHBondContact O-CE2 3.48Å; R124-Y133 PolarHBondContact O-OH 2.78Å; R124-T145 HydrophobicContact CB-CG2 4.18Å; R124-D147 WeakPolarHBondContact CB-OD1 3.48Å; R124-D147 VanDerWaalsContact CD-OD2 3.29Å; R124-D147 WeakPolarHBondContact CD-OD2 3.47Å; R124-D147 WeakPolarHBondContact CG-OD1 3.22Å; R124-D147 WeakPolarHBondContact CG-OD2 3.26Å; R124-D147 IonicContact CZ-OD2 2.91Å; R124-D147 PolarHBondContact N-OD1 3.18Å; R124-D147 IonicContact NE-OD2 3.13Å; R124-D147 PolarHBondContact NE-OD2 2.82Å; R124-D154 IonicContact NH2-OD2 3.06Å
125	G	70.3	Confident	72	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	8.4	174.9	0	0	0	0	0	117.1	Q63 W84 T123 D127	Q63-G125 PolarHBondContact OE1-O 3.46Å; W84-G125 VanDerWaalsContact CH2-CA 3.44Å; T123-G125 PolarHBondContact O-N 3.05Å; T123-G125 PolarHBondContact OG1-N 2.55Å; G125-D127 PolarHBondContact O-N 3.3Å
126	G	72.6	Confident	72	Confident	4 Å²	4	21.6 Å²	21.6	4%	0.041	12%	0.118	C	C	.	.			trans	-63.1	134	177.2	0	0	0	0	0	112.8	T123 R124 H128 R129 V130	T123-G126 PolarHBondContact O-N 3.33Å; R124-G126 PolarHBondContact O-N 3.38Å; G126-H128 VanDerWaalsContact C-N 3.3Å; G126-H128 PolarHBondContact O-N 3.46Å; G126-H128 VanDerWaalsContact O-N 3.1Å; G126-R129 WeakPolarHBondContact O-CA 3.36Å; G126-R129 VanDerWaalsContact O-CB 3.26Å; G126-R129 WeakPolarHBondContact O-CB 3.15Å; G126-R129 PolarHBondContact O-N 3Å; G126-V130 PolarHBondContact O-N 3.5Å
127	D	71.4	Confident	72.3	Confident	101 Å²	101	21.6 Å²	21.6	54%	0.54	12%	0.118	S	C	.	.	H	α-helix	trans	-47.8	-46.6	-172.3	-50.7	-18.3	0	0	0	114.5	G125 R129 V130 Q131	G125-D127 PolarHBondContact O-N 3.3Å; D127-R129 PolarHBondContact O-N 3.34Å; D127-V130 PolarHBondContact O-N 2.81Å; D127-Q131 WeakPolarHBondContact O-CG 2.92Å; D127-Q131 PolarHBondContact O-N 3.33Å; D127-Q131 PolarHBondContact O-OE1 2.8Å
128	H	68.4	Low	72.7	Confident	31 Å²	31	25.1 Å²	25.1	14%	0.144	14%	0.144	C	C	.	.	H	α-helix	trans	-63.8	-27.4	178.6	64.9	-73.1	0	0	0	113.6	G126 L132 K321 Y324	G126-H128 VanDerWaalsContact C-N 3.3Å; G126-H128 PolarHBondContact O-N 3.46Å; G126-H128 VanDerWaalsContact O-N 3.1Å; H128-L132 PolarHBondContact O-N 3.1Å; H128-K321 HydrophobicContact CB-CB 4.24Å; H128-K321 WeakPolarHBondContact CB-O 3.44Å; H128-Y324 HydrophobicContact CB-CD1 4.36Å; H128-Y324 HydrophobicContact CB-CE1 3.8Å; H128-Y324 WeakPolarHBondContact O-CD1 3.48Å
129	R	76.6	Confident	73	Confident	3 Å²	3	26.6 Å²	26.6	1%	0.011	15%	0.151	C	C	.	.	H	α-helix	trans	-80.5	-45.2	177.2	-51.3	176.4	-178.8	-177.4	-4.7	109.8	Y116 H118 G119 A121 G122 T123 G126 D127 Q131 L132 Y133	Y116-R129 HydrophobicContact CE1-CB 4.48Å; Y116-R129 HydrophobicContact CE1-CG 4.46Å; H118-R129 PolarHBondContact ND1-NH1 3.15Å; H118-R129 VanDerWaalsContact ND1-NH1 3.13Å; G119-R129 PolarHBondContact O-NH2 2.87Å; A121-R129 PolarHBondContact O-NH2 2.91Å; G122-R129 PolarHBondContact O-NH1 2.88Å; T123-R129 WeakPolarHBondContact O-CD 3.49Å; T123-R129 PolarHBondContact O-NH1 3.08Å; G126-R129 WeakPolarHBondContact O-CA 3.36Å; G126-R129 VanDerWaalsContact O-CB 3.26Å; G126-R129 WeakPolarHBondContact O-CB 3.15Å; G126-R129 PolarHBondContact O-N 3Å; D127-R129 PolarHBondContact O-N 3.34Å; R129-Q131 VanDerWaalsContact C-N 3.27Å; R129-Q131 PolarHBondContact O-N 3.18Å; R129-L132 CarbonylContact O-C 3.57Å; R129-L132 WeakPolarHBondContact O-CA 3.31Å; R129-L132 WeakPolarHBondContact O-CB 3.14Å; R129-L132 PolarHBondContact O-N 3.18Å; R129-Y133 HydrophobicContact CB-CE1 4.35Å; R129-Y133 HydrophobicContact CB-CE2 4.02Å; R129-Y133 VanDerWaalsContact O-CD1 3.32Å; R129-Y133 WeakPolarHBondContact O-CD1 3.24Å; R129-Y133 WeakPolarHBondContact O-CD2 3.43Å; R129-Y133 PolarHBondContact O-N 3.3Å
130	V	80.4	Confident	73.9	Confident	5 Å²	5	26.8 Å²	26.8	3%	0.03	15%	0.154	C	C	.	.	H	α-helix	trans	-55.4	-44.3	174.6	173.1	0	0	0	0	111.2	Q63 L65 W84 G126 D127 L132 Y133 K134	Q63-V130 HydrophobicContact CB-CG1 4.46Å; Q63-V130 HydrophobicContact CB-CG2 4.22Å; Q63-V130 WeakPolarHBondContact O-CG1 3.36Å; L65-V130 HydrophobicContact CD1-CG1 4.32Å; L65-V130 HydrophobicContact CD1-CG2 4.5Å; L65-V130 HydrophobicContact CD2-CG1 3.95Å; L65-V130 HydrophobicContact CG-CG1 3.92Å; W84-V130 HydrophobicContact CZ3-CG2 4.48Å; G126-V130 PolarHBondContact O-N 3.5Å; D127-V130 PolarHBondContact O-N 2.81Å; V130-L132 VanDerWaalsContact C-N 3.33Å; V130-L132 PolarHBondContact O-N 3.08Å; V130-Y133 PolarHBondContact O-N 3.34Å; V130-K134 WeakPolarHBondContact O-CG 3.2Å; V130-K134 PolarHBondContact O-N 2.99Å; V130-K134 VanDerWaalsContact O-N 3.1Å
131	Q	78.7	Confident	75.1	Confident	77 Å²	77	25.2 Å²	25.2	36%	0.36	15%	0.145	S	C	.	.	H	α-helix	trans	-64.4	-36.9	175.9	-74.6	166.1	-31.1	0	0	112.5	D127 R129 K134 V135 Y324	D127-Q131 WeakPolarHBondContact O-CG 2.92Å; D127-Q131 PolarHBondContact O-N 3.33Å; D127-Q131 PolarHBondContact O-OE1 2.8Å; R129-Q131 VanDerWaalsContact C-N 3.27Å; R129-Q131 PolarHBondContact O-N 3.18Å; Q131-K134 PolarHBondContact O-N 3.41Å; Q131-V135 WeakPolarHBondContact O-CG2 3.39Å; Q131-V135 PolarHBondContact O-N 3.19Å; Q131-Y324 HydrophobicContact CB-CD1 4.32Å; Q131-Y324 HydrophobicContact CB-CD2 3.65Å; Q131-Y324 HydrophobicContact CB-CE1 4.38Å; Q131-Y324 HydrophobicContact CB-CE2 3.73Å; Q131-Y324 HydrophobicContact CB-CG 3.99Å; Q131-Y324 HydrophobicContact CG-CE2 4.15Å; Q131-Y324 PolarHBondContact OE1-OH 2.83Å
132	L	77.9	Confident	76.9	Confident	11 Å²	11	23 Å²	23	6%	0.058	13%	0.127	C	C	.	.	H	α-helix	trans	-65.9	-40.6	173.2	-178.1	63.9	0	0	0	111.9	Y116 H128 R129 V130 K134 V135 L136 W188 L329	Y116-L132 HydrophobicContact CD2-CD2 3.98Å; Y116-L132 HydrophobicContact CE2-CD2 3.28Å; H128-L132 PolarHBondContact O-N 3.1Å; R129-L132 CarbonylContact O-C 3.57Å; R129-L132 WeakPolarHBondContact O-CA 3.31Å; R129-L132 WeakPolarHBondContact O-CB 3.14Å; R129-L132 PolarHBondContact O-N 3.18Å; V130-L132 VanDerWaalsContact C-N 3.33Å; V130-L132 PolarHBondContact O-N 3.08Å; L132-K134 VanDerWaalsContact C-N 3.26Å; L132-K134 PolarHBondContact O-N 2.87Å; L132-V135 PolarHBondContact O-N 2.8Å; L132-V135 VanDerWaalsContact O-N 3.16Å; L132-L136 HydrophobicContact CD1-CG 4.31Å; L132-L136 HydrophobicContact CG-CD1 4.16Å; L132-L136 HydrophobicContact CG-CG 4.36Å; L132-L136 WeakPolarHBondContact O-CG 3.47Å; L132-L136 PolarHBondContact O-N 2.75Å; L132-W188 HydrophobicContact CD2-CZ2 4.43Å; L132-L329 HydrophobicContact CD1-CD2 4.33Å
133	Y	83.1	Confident	78.2	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.9	-38.9	176.5	-53.1	-29.4	0	0	0	111.5	L65 W84 Y116 R124 R129 V130 L136 S137 V143 T145	L65-Y133 HydrophobicContact CD1-CD2 4.21Å; W84-Y133 HydrophobicContact CE3-CE2 4.19Å; W84-Y133 HydrophobicContact CZ3-CE2 4.31Å; Y116-Y133 AromaticContact CD1-CE1 3.49Å; Y116-Y133 HydrophobicContact CD1-CE1 3.49Å; Y116-Y133 VanDerWaalsContact CD1-CE1 3.49Å; Y116-Y133 AromaticContact CD1-CZ 3.94Å; Y116-Y133 WeakPolarHBondContact CD1-OH 3.21Å; Y116-Y133 HydrophobicContact CD2-CE1 4.46Å; Y116-Y133 AromaticContact CE1-CE1 3.84Å; Y116-Y133 HydrophobicContact CE1-CE1 3.84Å; Y116-Y133 AromaticContact CG-CE1 3.8Å; Y116-Y133 HydrophobicContact CG-CE1 3.8Å; R124-Y133 WeakPolarHBondContact O-CE2 3.48Å; R124-Y133 PolarHBondContact O-OH 2.78Å; R129-Y133 HydrophobicContact CB-CE1 4.35Å; R129-Y133 HydrophobicContact CB-CE2 4.02Å; R129-Y133 VanDerWaalsContact O-CD1 3.32Å; R129-Y133 WeakPolarHBondContact O-CD1 3.24Å; R129-Y133 WeakPolarHBondContact O-CD2 3.43Å; R129-Y133 PolarHBondContact O-N 3.3Å; V130-Y133 PolarHBondContact O-N 3.34Å; Y133-L136 PolarHBondContact O-N 3.13Å; Y133-S137 WeakPolarHBondContact O-CB 3.44Å; Y133-S137 PolarHBondContact O-N 2.76Å; Y133-V143 HydrophobicContact CD1-CG1 3.76Å; Y133-V143 HydrophobicContact CE1-CG1 4.34Å; Y133-V143 HydrophobicContact CG-CG1 4.42Å; Y133-T145 HydrophobicContact CE1-CG2 4.22Å; Y133-T145 HydrophobicContact CE2-CG2 3.98Å; Y133-T145 WeakPolarHBondContact OH-CG2 3.36Å; Y133-T145 PolarHBondContact OH-OG1 3.1Å; Y133-T145 VanDerWaalsContact OH-OG1 3.14Å
134	K	82.6	Confident	79.1	Confident	90 Å²	90	22.4 Å²	22.4	39%	0.391	12%	0.121	S	C	.	.	H	α-helix	trans	-61.3	-45.1	174.6	-69.2	177	179	-171.3	0	112.2	G64 L65 V130 Q131 L132 S137 S138	G64-K134 WeakPolarHBondContact O-CE 3.41Å; G64-K134 PolarHBondContact O-NZ 3.34Å; L65-K134 HydrophobicContact CD2-CG 4.04Å; V130-K134 WeakPolarHBondContact O-CG 3.2Å; V130-K134 PolarHBondContact O-N 2.99Å; V130-K134 VanDerWaalsContact O-N 3.1Å; Q131-K134 PolarHBondContact O-N 3.41Å; L132-K134 VanDerWaalsContact C-N 3.26Å; L132-K134 PolarHBondContact O-N 2.87Å; K134-S137 PolarHBondContact O-N 2.76Å; K134-S138 WeakPolarHBondContact O-CB 3.25Å; K134-S138 PolarHBondContact O-N 3.3Å; K134-S138 PolarHBondContact O-OG 3.15Å
135	V	79.9	Confident	79.7	Confident	28 Å²	28	22.4 Å²	22.4	17%	0.17	12%	0.121	C	C	.	.	H	α-helix	trans	-64.2	-44.6	178.1	174.8	0	0	0	0	111.3	Q131 L132 S138 L139 P330	Q131-V135 WeakPolarHBondContact O-CG2 3.39Å; Q131-V135 PolarHBondContact O-N 3.19Å; L132-V135 PolarHBondContact O-N 2.8Å; L132-V135 VanDerWaalsContact O-N 3.16Å; V135-S138 WeakPolarHBondContact CA-OG 3.5Å; V135-S138 PolarHBondContact O-N 2.66Å; V135-S138 PolarHBondContact O-OG 3.27Å; V135-L139 HydrophobicContact CG1-CD1 4.45Å; V135-L139 WeakPolarHBondContact O-CG 3.42Å; V135-L139 PolarHBondContact O-N 3.06Å; V135-P330 HydrophobicContact CG1-CG 4.28Å
136	L	80.2	Confident	80.3	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-66.8	-40.8	179	-66.5	179.2	0	0	0	111.8	I114 L132 Y133 L139 Y141 V143 L333	I114-L136 HydrophobicContact CD1-CB 4.42Å; I114-L136 HydrophobicContact CD1-CD1 4.19Å; I114-L136 HydrophobicContact CD1-CD2 3.78Å; I114-L136 HydrophobicContact CD1-CG 4.35Å; I114-L136 HydrophobicContact CG2-CD1 4.27Å; L132-L136 HydrophobicContact CD1-CG 4.31Å; L132-L136 HydrophobicContact CG-CD1 4.16Å; L132-L136 HydrophobicContact CG-CG 4.36Å; L132-L136 WeakPolarHBondContact O-CG 3.47Å; L132-L136 PolarHBondContact O-N 2.75Å; Y133-L136 PolarHBondContact O-N 3.13Å; L136-L139 PolarHBondContact O-N 3.24Å; L136-Y141 WeakPolarHBondContact O-CD2 3.17Å; L136-Y141 PolarHBondContact O-N 3.2Å; L136-V143 HydrophobicContact CB-CG2 3.44Å; L136-V143 VanDerWaalsContact CB-CG2 3.44Å; L136-V143 HydrophobicContact CD1-CG1 4.27Å; L136-V143 HydrophobicContact CD1-CG2 4.17Å; L136-V143 HydrophobicContact CG-CG2 4.47Å; L136-L333 HydrophobicContact CD2-CD1 3.65Å
137	S	84.1	Confident	80.6	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.007	12%	0.119	C	C	.	.	H	α-helix	trans	-64.9	-40.1	174.9	172.3	0	0	0	0	112.3	H67 V87 A89 Y133 K134 L139 G140	H67-S137 PolarHBondContact CE1-OG 3.25Å; H67-S137 WeakPolarHBondContact NE2-CB 3.5Å; H67-S137 PolarHBondContact NE2-OG 2.94Å; V87-S137 PolarHBondContact O-OG 3.39Å; A89-S137 WeakPolarHBondContact CB-O 3.37Å; A89-S137 PolarHBondContact N-O 3.36Å; A89-S137 PolarHBondContact N-OG 3.1Å; Y133-S137 WeakPolarHBondContact O-CB 3.44Å; Y133-S137 PolarHBondContact O-N 2.76Å; K134-S137 PolarHBondContact O-N 2.76Å; S137-L139 PolarHBondContact O-N 3.5Å; S137-G140 PolarHBondContact O-N 2.74Å
138	S	82.4	Confident	80.6	Confident	77 Å²	77	17.5 Å²	17.5	54%	0.538	9%	0.094	S	C	.	.	H	α-helix	trans	-63.5	-25.7	176.6	61	0	0	0	0	113.4	K134 V135 G140	K134-S138 WeakPolarHBondContact O-CB 3.25Å; K134-S138 PolarHBondContact O-N 3.3Å; K134-S138 PolarHBondContact O-OG 3.15Å; V135-S138 WeakPolarHBondContact CA-OG 3.5Å; V135-S138 PolarHBondContact O-N 2.66Å; V135-S138 PolarHBondContact O-OG 3.27Å; S138-G140 PolarHBondContact O-N 2.69Å
139	L	77.4	Confident	80.6	Confident	30 Å²	30	17 Å²	17	16%	0.157	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	2.1	174.8	-70.5	171.4	0	0	0	113.4	V135 L136 S137 Y141 P330 L333 P342	V135-L139 HydrophobicContact CG1-CD1 4.45Å; V135-L139 WeakPolarHBondContact O-CG 3.42Å; V135-L139 PolarHBondContact O-N 3.06Å; L136-L139 PolarHBondContact O-N 3.24Å; S137-L139 PolarHBondContact O-N 3.5Å; L139-Y141 HydrophobicContact CB-CD2 3.59Å; L139-Y141 HydrophobicContact CB-CE2 3.62Å; L139-Y141 HydrophobicContact CD1-CE2 4.46Å; L139-P330 HydrophobicContact CD2-CB 4.16Å; L139-L333 HydrophobicContact CD1-CB 4.03Å; L139-L333 HydrophobicContact CD1-CD1 3.61Å; L139-L333 HydrophobicContact CD1-CG 4.42Å; L139-P342 HydrophobicContact CD2-CB 4.2Å; L139-P342 HydrophobicContact CD2-CG 3.92Å
140	G	81	Confident	79.6	Confident	7 Å²	7	17.1 Å²	17.1	7%	0.072	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.7	17.4	176	0	0	0	0	0	114.8	H111 S137 S138	H111-G140 PolarHBondContact ND1-O 3.36Å; H111-G140 VanDerWaalsContact ND1-O 3.13Å; S137-G140 PolarHBondContact O-N 2.74Å; S138-G140 PolarHBondContact O-N 2.69Å
141	Y	82	Confident	78.5	Confident	5 Å²	5	17.3 Å²	17.3	2%	0.02	9%	0.093	C	C	.	.			trans	-96.5	144.9	178.3	-63.2	-87.3	0	0	0	112	P112 I114 L136 L139 Y186 L337 A339	P112-Y141 HydrophobicContact CB-CD1 3.73Å; P112-Y141 HydrophobicContact CB-CE1 3.77Å; P112-Y141 HydrophobicContact CG-CD1 3.33Å; P112-Y141 HydrophobicContact CG-CE1 3.24Å; P112-Y141 HydrophobicContact CG-CG 4.36Å; P112-Y141 WeakPolarHBondContact O-CA 3.38Å; I114-Y141 HydrophobicContact CD1-CD1 3.72Å; I114-Y141 HydrophobicContact CD1-CD2 4.04Å; I114-Y141 HydrophobicContact CD1-CE1 4.43Å; I114-Y141 HydrophobicContact CD1-CG 3.55Å; I114-Y141 HydrophobicContact CG1-CD1 3.86Å; I114-Y141 HydrophobicContact CG1-CG 4.05Å; L136-Y141 WeakPolarHBondContact O-CD2 3.17Å; L136-Y141 PolarHBondContact O-N 3.2Å; L139-Y141 HydrophobicContact CB-CD2 3.59Å; L139-Y141 HydrophobicContact CB-CE2 3.62Å; L139-Y141 HydrophobicContact CD1-CE2 4.46Å; Y141-Y186 HydrophobicContact CE1-CD2 4.39Å; Y141-Y186 HydrophobicContact CE1-CE2 4.16Å; Y141-L337 HydrophobicContact CE1-CD1 3.86Å; Y141-L337 HydrophobicContact CE2-CD1 3.87Å; Y141-L337 WeakPolarHBondContact OH-CB 3.31Å; Y141-L337 WeakPolarHBondContact OH-CD1 3.32Å; Y141-A339 WeakPolarHBondContact OH-CB 3.44Å
142	H	85.6	Confident	77.1	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	130.1	159.4	-71.3	-75.9	0	0	0	109.3	H85 T86 P88 T106 S109 P112 V113 I114	H85-H142 AromaticContact NE2-CG 3.9Å; H85-H142 AromaticContact NE2-ND1 3.23Å; H85-H142 PolarHBondContact NE2-ND1 3.03Å; T86-H142 WeakPolarHBondContact O-CA 3.07Å; P88-H142 WeakPolarHBondContact CD-CE1 3.45Å; P88-H142 VanDerWaalsContact CD-ND1 3.28Å; P88-H142 WeakPolarHBondContact CD-ND1 3.5Å; T106-H142 WeakPolarHBondContact CG2-CE1 3.17Å; S109-H142 PolarHBondContact OG-NE2 2.99Å; S109-H142 VanDerWaalsContact OG-NE2 3.07Å; P112-H142 PolarHBondContact O-N 3.22Å; V113-H142 CarbonylContact C-O 3.55Å; V113-H142 WeakPolarHBondContact CA-O 3.2Å; V113-H142 HydrophobicContact CB-CB 4.24Å; V113-H142 HydrophobicContact CG1-CB 4.2Å; V113-H142 HydrophobicContact CG2-CB 3.84Å; I114-H142 PolarHBondContact N-O 2.98Å
143	V	86.1	Confident	76	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	118.9	176.7	-171.2	0	0	0	0	109.1	T86 Y133 L136	T86-V143 PolarHBondContact N-O 3.13Å; T86-V143 PolarHBondContact O-N 3.48Å; Y133-V143 HydrophobicContact CD1-CG1 3.76Å; Y133-V143 HydrophobicContact CE1-CG1 4.34Å; Y133-V143 HydrophobicContact CG-CG1 4.42Å; L136-V143 HydrophobicContact CB-CG2 3.44Å; L136-V143 VanDerWaalsContact CB-CG2 3.44Å; L136-V143 HydrophobicContact CD1-CG1 4.27Å; L136-V143 HydrophobicContact CD1-CG2 4.17Å; L136-V143 HydrophobicContact CG-CG2 4.47Å
144	V	86.4	Confident	74.7	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	125.9	176.5	-179.7	0	0	0	0	108.3	V83 W84 F107 V113 I114 L115 Y116 I171 L175	V83-V144 HydrophobicContact CG1-CG1 3.76Å; W84-V144 WeakPolarHBondContact O-CA 3.49Å; F107-V144 HydrophobicContact CE1-CG2 3.74Å; F107-V144 HydrophobicContact CZ-CG2 3.87Å; V113-V144 HydrophobicContact CG1-CG2 3.99Å; I114-V144 PolarHBondContact O-N 3.09Å; L115-V144 CarbonylContact C-O 3.51Å; L115-V144 WeakPolarHBondContact CA-O 2.98Å; L115-V144 HydrophobicContact CD1-CG1 4.34Å; Y116-V144 PolarHBondContact N-O 2.94Å; V144-I171 HydrophobicContact CG1-CG2 4.47Å; V144-L175 HydrophobicContact CB-CD1 4.28Å; V144-L175 HydrophobicContact CB-CD2 4.42Å; V144-L175 HydrophobicContact CG1-CD1 4.24Å; V144-L175 HydrophobicContact CG1-CD2 4.28Å; V144-L175 HydrophobicContact CG2-CD2 3.9Å
145	T	86.1	Confident	73.5	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	151.3	178.1	-168.2	0	0	0	0	109.7	V83 W84 Y116 R124 Y133	V83-T145 CarbonylContact C-O 3.55Å; V83-T145 WeakPolarHBondContact CA-O 3.48Å; V83-T145 WeakPolarHBondContact CG1-O 3.21Å; W84-T145 HydrophobicContact CB-CG2 3.73Å; W84-T145 HydrophobicContact CE3-CG2 4.28Å; W84-T145 PolarHBondContact N-O 3.46Å; W84-T145 PolarHBondContact O-N 2.97Å; Y116-T145 PolarHBondContact O-OG1 3.42Å; R124-T145 HydrophobicContact CB-CG2 4.18Å; Y133-T145 HydrophobicContact CE1-CG2 4.22Å; Y133-T145 HydrophobicContact CE2-CG2 3.98Å; Y133-T145 WeakPolarHBondContact OH-CG2 3.36Å; Y133-T145 PolarHBondContact OH-OG1 3.1Å; Y133-T145 VanDerWaalsContact OH-OG1 3.14Å
146	F	83.5	Confident	72.3	Confident	1 Å²	1	22.2 Å²	22.2	0%	0.004	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	157.7	-178.6	66.4	-87.1	0	0	0	110.8	G82 V83 L115 L117 H118 Y148 D167 A168 I171	G82-F146 VanDerWaalsContact O-CA 3.23Å; G82-F146 WeakPolarHBondContact O-CA 3.47Å; G82-F146 WeakPolarHBondContact O-CB 3.14Å; V83-F146 HydrophobicContact CB-CB 4.29Å; V83-F146 HydrophobicContact CG1-CB 4.38Å; V83-F146 HydrophobicContact CG2-CB 3.83Å; L115-F146 HydrophobicContact CD1-CD1 4.12Å; L115-F146 HydrophobicContact CD1-CE1 4Å; L117-F146 HydrophobicContact CD2-CD1 4.32Å; L117-F146 HydrophobicContact CD2-CE1 3.22Å; L117-F146 HydrophobicContact CD2-CZ 3.45Å; L117-F146 VanDerWaalsContact CD2-CZ 3.45Å; H118-F146 PolarHBondContact CD2-O 3.48Å; H118-F146 PolarHBondContact NE2-O 3.02Å; F146-Y148 AromaticContact CE2-CD1 3.63Å; F146-Y148 HydrophobicContact CE2-CD1 3.63Å; F146-Y148 AromaticContact CE2-CE1 3.71Å; F146-Y148 HydrophobicContact CE2-CE1 3.71Å; F146-Y148 HydrophobicContact CE2-CG 4.26Å; F146-Y148 HydrophobicContact CZ-CD1 4.2Å; F146-Y148 AromaticContact CZ-CE1 3.8Å; F146-Y148 HydrophobicContact CZ-CE1 3.8Å; F146-D167 HydrophobicContact CE2-CB 4Å; F146-A168 HydrophobicContact CZ-CB 3.88Å; F146-I171 HydrophobicContact CD1-CB 4.2Å; F146-I171 HydrophobicContact CD1-CG1 3.75Å; F146-I171 HydrophobicContact CD1-CG2 4.02Å; F146-I171 HydrophobicContact CD2-CG1 4.32Å; F146-I171 HydrophobicContact CE1-CB 4.07Å; F146-I171 HydrophobicContact CE1-CG1 3.89Å; F146-I171 HydrophobicContact CE1-CG2 4.17Å; F146-I171 HydrophobicContact CE2-CG1 4.48Å; F146-I171 HydrophobicContact CG-CG1 3.97Å; F146-I171 HydrophobicContact CZ-CG1 4.29Å
147	D	78.4	Confident	71.4	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-91.2	127.7	170.6	-70.1	-41.8	0	0	0	109.8	L57 G82 H118 R124 S155	L57-D147 WeakPolarHBondContact CD1-OD2 3.18Å; G82-D147 PolarHBondContact O-N 3.06Å; H118-D147 IonicContact NE2-OD1 2.68Å; R124-D147 WeakPolarHBondContact CB-OD1 3.48Å; R124-D147 VanDerWaalsContact CD-OD2 3.29Å; R124-D147 WeakPolarHBondContact CD-OD2 3.47Å; R124-D147 WeakPolarHBondContact CG-OD1 3.22Å; R124-D147 WeakPolarHBondContact CG-OD2 3.26Å; R124-D147 IonicContact CZ-OD2 2.91Å; R124-D147 PolarHBondContact N-OD1 3.18Å; R124-D147 IonicContact NE-OD2 3.13Å; R124-D147 PolarHBondContact NE-OD2 2.82Å; D147-S155 PolarHBondContact O-OG 2.76Å
148	Y	71.3	Confident	70.2	Confident	2 Å²	2	29 Å²	29	1%	0.008	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-62.5	151.7	176.6	-60.4	-82.6	0	0	0	112.7	L117 H118 F146 G150 Q151 M164	L117-Y148 WeakPolarHBondContact CB-OH 3.48Å; H118-Y148 AromaticContact CE1-CD2 3.53Å; H118-Y148 AromaticContact CE1-CE2 3.76Å; H118-Y148 AromaticContact ND1-CE2 3.94Å; H118-Y148 AromaticContact NE2-CD2 3.63Å; H118-Y148 AromaticContact NE2-CE2 3.87Å; H118-Y148 WeakPolarHBondContact O-CE2 3.32Å; F146-Y148 AromaticContact CE2-CD1 3.63Å; F146-Y148 HydrophobicContact CE2-CD1 3.63Å; F146-Y148 AromaticContact CE2-CE1 3.71Å; F146-Y148 HydrophobicContact CE2-CE1 3.71Å; F146-Y148 HydrophobicContact CE2-CG 4.26Å; F146-Y148 HydrophobicContact CZ-CD1 4.2Å; F146-Y148 AromaticContact CZ-CE1 3.8Å; F146-Y148 HydrophobicContact CZ-CE1 3.8Å; Y148-G150 PolarHBondContact O-N 2.68Å; Y148-Q151 WeakPolarHBondContact O-CB 3.23Å; Y148-Q151 PolarHBondContact O-N 3.48Å; Y148-Q151 VanDerWaalsContact O-N 3.09Å; Y148-M164 HydrophobicContact CD1-CB 3.72Å; Y148-M164 HydrophobicContact CD1-CE 3.79Å; Y148-M164 HydrophobicContact CD1-CG 4.07Å; Y148-M164 HydrophobicContact CD2-CE 3.55Å; Y148-M164 HydrophobicContact CE1-CB 4.29Å; Y148-M164 HydrophobicContact CE1-CE 4.25Å; Y148-M164 HydrophobicContact CE2-CE 4.05Å; Y148-M164 HydrophobicContact CG-CB 4.35Å; Y148-M164 HydrophobicContact CG-CE 3.4Å; Y148-M164 VanDerWaalsContact CG-CE 3.4Å; Y148-M164 HydrophobicContact CG-CG 4.2Å
149	R	69.1	Low	69.3	Low	20 Å²	20	26.5 Å²	26.5	8%	0.075	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	135.3	174.5	72	178.9	75.4	-179.2	-1.6	112.1	E76 L79 Q151 D156 G163 D167	E76-R149 VanDerWaalsContact CD-NH1 3.29Å; E76-R149 IonicContact OE1-CZ 3.59Å; E76-R149 VanDerWaalsContact OE1-CZ 3.27Å; E76-R149 IonicContact OE1-NH1 3.9Å; E76-R149 PolarHBondContact OE1-NH1 3.36Å; E76-R149 IonicContact OE1-NH2 3.92Å; E76-R149 PolarHBondContact OE1-NH2 3.2Å; E76-R149 IonicContact OE2-NH1 3.78Å; E76-R149 PolarHBondContact OE2-NH1 2.88Å; L79-R149 HydrophobicContact CD1-CB 4.3Å; L79-R149 HydrophobicContact CD2-CB 4.13Å; R149-Q151 PolarHBondContact O-N 3.46Å; R149-Q151 VanDerWaalsContact O-N 3.13Å; R149-D156 WeakPolarHBondContact CA-O 3.39Å; R149-G163 PolarHBondContact NE-O 3.25Å; R149-G163 VanDerWaalsContact NE-O 3.16Å; R149-D167 WeakPolarHBondContact CB-OD2 3.16Å; R149-D167 WeakPolarHBondContact CG-OD2 3.21Å; R149-D167 IonicContact CZ-OD1 3.25Å; R149-D167 PolarHBondContact N-OD2 3.16Å; R149-D167 IonicContact NE-OD1 2.91Å; R149-D167 PolarHBondContact NE-OD1 3.29Å; R149-D167 IonicContact NE-OD2 3.27Å; R149-D167 PolarHBondContact NE-OD2 3.18Å; R149-D167 IonicContact NH2-OD1 2.71Å; R149-D167 PolarHBondContact NH2-OD1 2.9Å
150	G	56.4	Low	68.6	Low	5 Å²	5	27.4 Å²	27.4	5%	0.052	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	3.7	-178.3	0	0	0	0	0	116.1	N47 Y148 D156 G157	N47-G150 PolarHBondContact ND2-O 3.3Å; N47-G150 PolarHBondContact OD1-O 3.12Å; N47-G150 VanDerWaalsContact OD1-O 3.11Å; Y148-G150 PolarHBondContact O-N 2.68Å; G150-D156 PolarHBondContact N-O 3.32Å; G150-G157 WeakPolarHBondContact CA-O 3.17Å
151	Q	56.1	Low	67.6	Low	9 Å²	9	30.1 Å²	30.1	4%	0.042	17%	0.174	C	C	.	.	S	Bend	trans	-76.8	131.3	157.3	-146.9	95.9	32.5	0	0	106.5	F45 Y148 R149 G153	F45-Q151 PolarHBondContact O-NE2 2.89Å; Y148-Q151 WeakPolarHBondContact O-CB 3.23Å; Y148-Q151 PolarHBondContact O-N 3.48Å; Y148-Q151 VanDerWaalsContact O-N 3.09Å; R149-Q151 PolarHBondContact O-N 3.46Å; R149-Q151 VanDerWaalsContact O-N 3.13Å; Q151-G153 PolarHBondContact O-N 2.95Å
152	R	49.8	Very low	66.7	Low	163 Å²	163	40.4 Å²	40.4	62%	0.615	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	34.4	-174.9	-106	-165.2	-171.6	-136	3.2	116.5	N47 R50	N47-R152 WeakPolarHBondContact O-CD 3.47Å; N47-R152 WeakPolarHBondContact OD1-CG 3.3Å; R50-R152 PolarHBondContact NE-O 2.79Å
153	G	55	Low	65.8	Low	11 Å²	11	40.6 Å²	40.6	11%	0.113	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-131.8	163.7	0	0	0	0	0	111.1	R50 Q151	R50-G153 PolarHBondContact NH2-O 3.3Å; Q151-G153 PolarHBondContact O-N 2.95Å
154	D	55.3	Low	65	Low	39 Å²	39	40.8 Å²	40.8	21%	0.209	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	8.8	169.2	-72.4	-21.1	0	0	0	112.4	R50 Y72 R124	R50-D154 IonicContact NH2-OD1 2.82Å; Y72-D154 HydrophobicContact CE1-CB 3.71Å; Y72-D154 PolarHBondContact OH-OD2 3.21Å; R124-D154 IonicContact NH2-OD2 3.06Å
155	S	56.6	Low	64.1	Low	10 Å²	10	41 Å²	41	7%	0.07	22%	0.217	C	C	.	.			trans	-90.8	129.6	-176	-58	0	0	0	0	111.1	K80 I81 G82 D147	K80-S155 WeakPolarHBondContact O-CA 3.4Å; I81-S155 WeakPolarHBondContact CA-OG 3.5Å; G82-S155 PolarHBondContact N-OG 2.71Å; D147-S155 PolarHBondContact O-OG 2.76Å
156	D	56.7	Low	63.5	Low	86 Å²	86	43.3 Å²	43.3	46%	0.46	23%	0.233	S	C	.	.			trans	-74.8	172.5	179.7	-74.7	-43.3	0	0	0	112.1	L79 K80 R149 G150	L79-D156 VanDerWaalsContact CD1-C 3.41Å; L79-D156 HydrophobicContact CD1-CB 3.94Å; L79-D156 WeakPolarHBondContact CD1-O 3.39Å; K80-D156 PolarHBondContact O-N 2.89Å; R149-D156 WeakPolarHBondContact CA-O 3.39Å; G150-D156 PolarHBondContact N-O 3.32Å
157	G	60.2	Low	63.2	Low	55 Å²	55	43.2 Å²	43.2	57%	0.567	23%	0.233	S	C	*	.	S	Bend	trans	96.4	-174	169.7	0	0	0	0	0	116.7	G150	G150-G157 WeakPolarHBondContact CA-O 3.17Å
158	S	58.5	Low	63	Low	89 Å²	89	43.3 Å²	43.3	62%	0.622	23%	0.233	S	C	*	.			trans	-109.3	135.1	178.8	59.4	0	0	0	0	111.3	S160	S158-S160 PolarHBondContact O-N 2.83Å
159	P	63.1	Low	63.1	Low	24 Å²	24	44.4 Å²	44.4	16%	0.156	24%	0.239	C	C	.	.			trans	-68.2	123.5	-177.5	29.2	-34.3	0	0	0	110.3	F45	F45-P159 HydrophobicContact CB-CB 4.26Å; F45-P159 HydrophobicContact CB-CG 4.19Å; F45-P159 HydrophobicContact CD1-CB 4.21Å; F45-P159 HydrophobicContact CD2-CB 3.92Å; F45-P159 HydrophobicContact CD2-CG 3.9Å; F45-P159 HydrophobicContact CE2-CB 4.35Å; F45-P159 HydrophobicContact CG-CB 3.87Å; F45-P159 HydrophobicContact CG-CG 4.1Å
160	S	62.9	Low	63.7	Low	49 Å²	49	46.3 Å²	46.3	34%	0.343	25%	0.248	S	C	.	.			trans	-141.9	147.4	171.5	66.4	0	0	0	0	109.4	S158 R162 G163 M164	S158-S160 PolarHBondContact O-N 2.83Å; S160-R162 VanDerWaalsContact C-N 3.33Å; S160-R162 PolarHBondContact O-N 3.05Å; S160-G163 PolarHBondContact O-N 2.73Å; S160-G163 VanDerWaalsContact O-N 3.13Å; S160-G163 PolarHBondContact OG-N 3.28Å; S160-G163 VanDerWaalsContact OG-N 3.14Å; S160-M164 VanDerWaalsContact O-CG 3.28Å; S160-M164 WeakPolarHBondContact O-CG 3.25Å; S160-M164 PolarHBondContact O-N 3.37Å
161	E	60.6	Low	65	Low	65 Å²	65	46.1 Å²	46.1	30%	0.304	25%	0.246	S	C	.	.	H	α-helix	trans	-56.2	-47.1	-179.8	173.4	176.8	-173.3	0	0	112.3	G163 M164 T165 Y196 L199	E161-G163 VanDerWaalsContact C-N 3.31Å; E161-G163 PolarHBondContact O-N 2.91Å; E161-M164 PolarHBondContact O-N 3.09Å; E161-T165 WeakPolarHBondContact O-CB 3.35Å; E161-T165 PolarHBondContact O-N 3Å; E161-T165 PolarHBondContact O-OG1 3.08Å; E161-Y196 HydrophobicContact CG-CE1 4.2Å; E161-L199 HydrophobicContact CG-CD2 4.29Å
162	R	63.7	Low	66	Low	221 Å²	221	46 Å²	46	83%	0.834	25%	0.245	S	C	*	.	H	α-helix	trans	-61.2	-41.7	177.2	-171.8	176.3	-178.9	174.5	0.6	111.4	S160 T165 S166	S160-R162 VanDerWaalsContact C-N 3.33Å; S160-R162 PolarHBondContact O-N 3.05Å; R162-T165 PolarHBondContact O-N 3.42Å; R162-S166 VanDerWaalsContact O-CB 3.3Å; R162-S166 WeakPolarHBondContact O-CB 3.42Å; R162-S166 PolarHBondContact O-N 2.91Å
163	G	66.8	Low	67.4	Low	4 Å²	4	41.4 Å²	41.4	4%	0.041	23%	0.233	C	C	.	.	H	α-helix	trans	-64.4	-47.7	177.2	0	0	0	0	0	113	R149 S160 E161 T165 S166 D167	R149-G163 PolarHBondContact NE-O 3.25Å; R149-G163 VanDerWaalsContact NE-O 3.16Å; S160-G163 PolarHBondContact O-N 2.73Å; S160-G163 VanDerWaalsContact O-N 3.13Å; S160-G163 PolarHBondContact OG-N 3.28Å; S160-G163 VanDerWaalsContact OG-N 3.14Å; E161-G163 VanDerWaalsContact C-N 3.31Å; E161-G163 PolarHBondContact O-N 2.91Å; G163-T165 VanDerWaalsContact C-N 3.28Å; G163-T165 PolarHBondContact O-N 2.71Å; G163-S166 WeakPolarHBondContact O-CB 3.41Å; G163-S166 PolarHBondContact O-N 2.57Å; G163-D167 VanDerWaalsContact O-CG 3.25Å; G163-D167 PolarHBondContact O-N 3.16Å
164	M	69.6	Low	68.8	Low	3 Å²	3	41.6 Å²	41.6	2%	0.015	23%	0.23	C	C	.	.	H	α-helix	trans	-62.3	-37.5	178.4	-65.1	178.3	76.6	0	0	112.2	F45 Y148 S160 E161 A168 Y196	F45-M164 HydrophobicContact CD1-SD 4.21Å; F45-M164 HydrophobicContact CE1-SD 3.75Å; Y148-M164 HydrophobicContact CD1-CB 3.72Å; Y148-M164 HydrophobicContact CD1-CE 3.79Å; Y148-M164 HydrophobicContact CD1-CG 4.07Å; Y148-M164 HydrophobicContact CD2-CE 3.55Å; Y148-M164 HydrophobicContact CE1-CB 4.29Å; Y148-M164 HydrophobicContact CE1-CE 4.25Å; Y148-M164 HydrophobicContact CE2-CE 4.05Å; Y148-M164 HydrophobicContact CG-CB 4.35Å; Y148-M164 HydrophobicContact CG-CE 3.4Å; Y148-M164 VanDerWaalsContact CG-CE 3.4Å; Y148-M164 HydrophobicContact CG-CG 4.2Å; S160-M164 VanDerWaalsContact O-CG 3.28Å; S160-M164 WeakPolarHBondContact O-CG 3.25Å; S160-M164 PolarHBondContact O-N 3.37Å; E161-M164 PolarHBondContact O-N 3.09Å; M164-A168 PolarHBondContact O-N 3.2Å; M164-A168 VanDerWaalsContact O-N 3.12Å; M164-Y196 HydrophobicContact CB-CD1 4.41Å; M164-Y196 HydrophobicContact CB-CE1 4.45Å; M164-Y196 HydrophobicContact CE-CD2 3.85Å; M164-Y196 HydrophobicContact CE-CE2 3.42Å; M164-Y196 VanDerWaalsContact CE-CE2 3.42Å; M164-Y196 HydrophobicContact SD-CE1 4.15Å; M164-Y196 HydrophobicContact SD-CE2 3.88Å
165	T	66.9	Low	70.1	Confident	6 Å²	6	39.7 Å²	39.7	4%	0.037	22%	0.22	C	C	.	.	H	α-helix	trans	-70.1	-41.4	176.5	-54	0	0	0	0	111.2	E161 R162 G163 D167 A168 L169 L199 L203	E161-T165 WeakPolarHBondContact O-CB 3.35Å; E161-T165 PolarHBondContact O-N 3Å; E161-T165 PolarHBondContact O-OG1 3.08Å; R162-T165 PolarHBondContact O-N 3.42Å; G163-T165 VanDerWaalsContact C-N 3.28Å; G163-T165 PolarHBondContact O-N 2.71Å; T165-D167 VanDerWaalsContact C-N 3.33Å; T165-D167 PolarHBondContact O-N 3.2Å; T165-A168 PolarHBondContact O-N 2.95Å; T165-L169 HydrophobicContact CG2-CD1 4.21Å; T165-L169 WeakPolarHBondContact O-CB 3.05Å; T165-L169 WeakPolarHBondContact O-CG 3.22Å; T165-L169 PolarHBondContact O-N 3.3Å; T165-L199 HydrophobicContact CG2-CD2 4.02Å; T165-L199 HydrophobicContact CG2-CG 3.94Å; T165-L199 WeakPolarHBondContact OG1-CD2 3.46Å; T165-L203 HydrophobicContact CG2-CD1 3.2Å
166	S	73.4	Confident	71.2	Confident	47 Å²	47	41.7 Å²	41.7	33%	0.329	23%	0.226	S	C	.	.	H	α-helix	trans	-62.3	-38.9	174	-167	0	0	0	0	112.3	R162 G163 L169 F170	R162-S166 VanDerWaalsContact O-CB 3.3Å; R162-S166 WeakPolarHBondContact O-CB 3.42Å; R162-S166 PolarHBondContact O-N 2.91Å; G163-S166 WeakPolarHBondContact O-CB 3.41Å; G163-S166 PolarHBondContact O-N 2.57Å; S166-L169 PolarHBondContact O-N 2.89Å; S166-F170 WeakPolarHBondContact O-CB 3.37Å; S166-F170 PolarHBondContact O-N 2.96Å
167	D	77.4	Confident	72.4	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.2	-46.3	175	-66.1	-24.5	0	0	0	111.1	F146 R149 G163 T165 L169 F170 I171	F146-D167 HydrophobicContact CE2-CB 4Å; R149-D167 WeakPolarHBondContact CB-OD2 3.16Å; R149-D167 WeakPolarHBondContact CG-OD2 3.21Å; R149-D167 IonicContact CZ-OD1 3.25Å; R149-D167 PolarHBondContact N-OD2 3.16Å; R149-D167 IonicContact NE-OD1 2.91Å; R149-D167 PolarHBondContact NE-OD1 3.29Å; R149-D167 IonicContact NE-OD2 3.27Å; R149-D167 PolarHBondContact NE-OD2 3.18Å; R149-D167 IonicContact NH2-OD1 2.71Å; R149-D167 PolarHBondContact NH2-OD1 2.9Å; G163-D167 VanDerWaalsContact O-CG 3.25Å; G163-D167 PolarHBondContact O-N 3.16Å; T165-D167 VanDerWaalsContact C-N 3.33Å; T165-D167 PolarHBondContact O-N 3.2Å; D167-L169 VanDerWaalsContact C-N 3.34Å; D167-L169 PolarHBondContact O-N 3.4Å; D167-F170 PolarHBondContact O-N 2.84Å; D167-I171 VanDerWaalsContact O-CG1 3.31Å; D167-I171 WeakPolarHBondContact O-CG1 3.04Å; D167-I171 PolarHBondContact O-N 3.17Å
168	A	73.1	Confident	73.3	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-62.8	-40.5	178.7	0	0	0	0	0	112.4	L117 F146 M164 T165 I171 Y172 S200	L117-A168 HydrophobicContact CD2-CB 4.22Å; F146-A168 HydrophobicContact CZ-CB 3.88Å; M164-A168 PolarHBondContact O-N 3.2Å; M164-A168 VanDerWaalsContact O-N 3.12Å; T165-A168 PolarHBondContact O-N 2.95Å; A168-I171 PolarHBondContact O-N 3.25Å; A168-Y172 WeakPolarHBondContact O-CB 3.02Å; A168-Y172 PolarHBondContact O-N 3.25Å; A168-S200 WeakPolarHBondContact CB-OG 3.46Å
169	L	74.1	Confident	74.2	Confident	25 Å²	25	42.4 Å²	42.4	13%	0.131	20%	0.199	C	C	.	.	H	α-helix	trans	-61.7	-48.3	173.4	-76.5	164.4	0	0	0	111.5	T165 S166 D167 I171 Y172 D173 L203 V204 L207	T165-L169 HydrophobicContact CG2-CD1 4.21Å; T165-L169 WeakPolarHBondContact O-CB 3.05Å; T165-L169 WeakPolarHBondContact O-CG 3.22Å; T165-L169 PolarHBondContact O-N 3.3Å; S166-L169 PolarHBondContact O-N 2.89Å; D167-L169 VanDerWaalsContact C-N 3.34Å; D167-L169 PolarHBondContact O-N 3.4Å; L169-I171 VanDerWaalsContact C-N 3.32Å; L169-I171 PolarHBondContact O-N 3.29Å; L169-Y172 WeakPolarHBondContact O-CB 3.41Å; L169-Y172 PolarHBondContact O-N 3.13Å; L169-Y172 VanDerWaalsContact O-N 3.11Å; L169-D173 PolarHBondContact O-N 2.96Å; L169-L203 HydrophobicContact CD1-CB 4.02Å; L169-L203 HydrophobicContact CD1-CD1 4.11Å; L169-L203 HydrophobicContact CD2-CB 3.93Å; L169-L203 HydrophobicContact CG-CB 4.47Å; L169-V204 HydrophobicContact CD2-CB 4.29Å; L169-V204 HydrophobicContact CD2-CG2 3.39Å; L169-L207 HydrophobicContact CD2-CD1 3.96Å
170	F	82.2	Confident	74.5	Confident	61 Å²	61	45.7 Å²	45.7	27%	0.268	21%	0.212	S	C	.	.	H	α-helix	trans	-58.9	-43.4	178.2	174.1	-92.3	0	0	0	112.1	L73 P75 I81 S166 D167 Y172 D173 W174	L73-F170 HydrophobicContact CB-CE1 3.85Å; L73-F170 HydrophobicContact CD1-CE1 4.16Å; P75-F170 HydrophobicContact CB-CB 4.1Å; P75-F170 HydrophobicContact CB-CD1 3.78Å; P75-F170 HydrophobicContact CB-CD2 4.03Å; P75-F170 HydrophobicContact CB-CE1 4.2Å; P75-F170 HydrophobicContact CB-CE2 4.41Å; P75-F170 HydrophobicContact CB-CG 3.68Å; P75-F170 HydrophobicContact CB-CZ 4.49Å; I81-F170 HydrophobicContact CD1-CD1 4.32Å; S166-F170 WeakPolarHBondContact O-CB 3.37Å; S166-F170 PolarHBondContact O-N 2.96Å; D167-F170 PolarHBondContact O-N 2.84Å; F170-Y172 VanDerWaalsContact C-N 3.34Å; F170-D173 PolarHBondContact O-N 3.18Å; F170-W174 WeakPolarHBondContact O-CB 3.35Å; F170-W174 PolarHBondContact O-N 3.06Å
171	I	82.1	Confident	74.7	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.9	-40.4	176.1	-64.5	-61.5	0	0	0	111.4	L73 I81 V83 L115 V144 F146 D167 A168 L169 W174 L175	L73-I171 HydrophobicContact CD1-CD1 3.51Å; I81-I171 HydrophobicContact CD1-CD1 3.64Å; I81-I171 HydrophobicContact CD1-CG1 4.04Å; V83-I171 HydrophobicContact CG2-CD1 3.74Å; L115-I171 HydrophobicContact CD1-CG2 3.52Å; L115-I171 HydrophobicContact CD2-CG2 4.32Å; V144-I171 HydrophobicContact CG1-CG2 4.47Å; F146-I171 HydrophobicContact CD1-CB 4.2Å; F146-I171 HydrophobicContact CD1-CG1 3.75Å; F146-I171 HydrophobicContact CD1-CG2 4.02Å; F146-I171 HydrophobicContact CD2-CG1 4.32Å; F146-I171 HydrophobicContact CE1-CB 4.07Å; F146-I171 HydrophobicContact CE1-CG1 3.89Å; F146-I171 HydrophobicContact CE1-CG2 4.17Å; F146-I171 HydrophobicContact CE2-CG1 4.48Å; F146-I171 HydrophobicContact CG-CG1 3.97Å; F146-I171 HydrophobicContact CZ-CG1 4.29Å; D167-I171 VanDerWaalsContact O-CG1 3.31Å; D167-I171 WeakPolarHBondContact O-CG1 3.04Å; D167-I171 PolarHBondContact O-N 3.17Å; A168-I171 PolarHBondContact O-N 3.25Å; L169-I171 VanDerWaalsContact C-N 3.32Å; L169-I171 PolarHBondContact O-N 3.29Å; I171-W174 PolarHBondContact O-N 2.89Å; I171-L175 HydrophobicContact CG2-CD1 4.12Å; I171-L175 HydrophobicContact CG2-CG 4.43Å; I171-L175 WeakPolarHBondContact O-CB 3.4Å; I171-L175 VanDerWaalsContact O-CG 3.31Å; I171-L175 WeakPolarHBondContact O-CG 3.47Å; I171-L175 PolarHBondContact O-N 2.72Å
172	Y	78.2	Confident	74.7	Confident	6 Å²	6	54.4 Å²	54.4	2%	0.024	25%	0.253	C	S	.	.	H	α-helix	trans	-59.7	-50	176.6	178.4	-88.7	0	0	0	111.5	A168 L169 F170 W174 L175 R176 L185 I187 V204 I208 S215	A168-Y172 WeakPolarHBondContact O-CB 3.02Å; A168-Y172 PolarHBondContact O-N 3.25Å; L169-Y172 WeakPolarHBondContact O-CB 3.41Å; L169-Y172 PolarHBondContact O-N 3.13Å; L169-Y172 VanDerWaalsContact O-N 3.11Å; F170-Y172 VanDerWaalsContact C-N 3.34Å; Y172-W174 VanDerWaalsContact C-N 3.33Å; Y172-W174 PolarHBondContact O-N 3.2Å; Y172-L175 PolarHBondContact O-N 3.47Å; Y172-R176 HydrophobicContact CD1-CG 4.15Å; Y172-R176 HydrophobicContact CE1-CG 3.58Å; Y172-R176 HydrophobicContact CE2-CG 4.35Å; Y172-R176 PolarHBondContact O-N 2.71Å; Y172-R176 PolarHBondContact OH-NE 2.81Å; Y172-R176 PolarHBondContact OH-NH2 3.08Å; Y172-L185 HydrophobicContact CD2-CD2 3.56Å; Y172-L185 HydrophobicContact CE2-CD2 3.34Å; Y172-L185 HydrophobicContact CE2-CG 4.16Å; Y172-L185 HydrophobicContact CG-CD2 4.46Å; Y172-I187 HydrophobicContact CD2-CD1 3.98Å; Y172-I187 HydrophobicContact CE2-CD1 4.12Å; Y172-V204 HydrophobicContact CD1-CB 4.33Å; Y172-V204 HydrophobicContact CD1-CG1 3.73Å; Y172-V204 HydrophobicContact CD1-CG2 3.52Å; Y172-V204 HydrophobicContact CD2-CG1 4.3Å; Y172-V204 HydrophobicContact CD2-CG2 4.15Å; Y172-V204 HydrophobicContact CE1-CB 4.31Å; Y172-V204 HydrophobicContact CE1-CG1 3.26Å; Y172-V204 HydrophobicContact CE1-CG2 3.99Å; Y172-V204 HydrophobicContact CE2-CG1 3.89Å; Y172-V204 HydrophobicContact CG-CG1 4.24Å; Y172-V204 HydrophobicContact CG-CG2 3.63Å; Y172-I208 HydrophobicContact CE1-CD1 4.11Å; Y172-I208 VanDerWaalsContact OH-CD1 3.27Å; Y172-I208 WeakPolarHBondContact OH-CD1 3.34Å; Y172-S215 PolarHBondContact OH-OG 3.33Å
173	D	79.9	Confident	74.8	Confident	68 Å²	68	44.8 Å²	44.8	36%	0.364	22%	0.218	S	C	.	.	H	α-helix	trans	-64.2	-40.9	178.3	-69	-23	0	0	0	111.3	L169 F170 L175 R176 Q177	L169-D173 PolarHBondContact O-N 2.96Å; F170-D173 PolarHBondContact O-N 3.18Å; D173-L175 VanDerWaalsContact C-N 3.29Å; D173-L175 PolarHBondContact O-N 3.05Å; D173-R176 PolarHBondContact O-N 3.35Å; D173-Q177 VanDerWaalsContact O-CG 3.31Å; D173-Q177 WeakPolarHBondContact O-CG 3.37Å; D173-Q177 PolarHBondContact O-N 3.06Å
174	W	83.8	Confident	74.8	Confident	14 Å²	14	46.8 Å²	46.8	5%	0.053	23%	0.23	C	C	.	.	H	α-helix	trans	-60	-38.6	176.6	-179.7	93.2	0	0	0	112.7	L71 L73 F107 F170 I171 Y172 R178	L71-W174 HydrophobicContact CD1-CH2 4.28Å; L71-W174 HydrophobicContact CD1-CZ2 4.35Å; L71-W174 HydrophobicContact CD2-CH2 4.43Å; L73-W174 HydrophobicContact CD1-CD2 3.64Å; L73-W174 HydrophobicContact CD1-CE3 4.12Å; L73-W174 HydrophobicContact CD1-CG 3.85Å; L73-W174 HydrophobicContact CD1-CZ2 4.2Å; L73-W174 HydrophobicContact CD2-CZ2 4Å; F107-W174 AromaticContact CE2-CH2 3.75Å; F107-W174 HydrophobicContact CE2-CH2 3.75Å; F107-W174 AromaticContact CE2-CZ3 3.97Å; F107-W174 HydrophobicContact CE2-CZ3 3.97Å; F107-W174 HydrophobicContact CZ-CH2 4.22Å; F107-W174 HydrophobicContact CZ-CZ3 4.04Å; F170-W174 WeakPolarHBondContact O-CB 3.35Å; F170-W174 PolarHBondContact O-N 3.06Å; I171-W174 PolarHBondContact O-N 2.89Å; Y172-W174 VanDerWaalsContact C-N 3.33Å; Y172-W174 PolarHBondContact O-N 3.2Å; W174-R178 VanDerWaalsContact NE1-NH1 3.2Å; W174-R178 PolarHBondContact O-NH1 3.1Å
175	L	82	Confident	74.8	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-70.7	-46.5	174	-72.9	172.7	0	0	0	111.3	F107 V113 L115 V144 I171 Y172 D173 Q177 R178 M179 L185	F107-L175 HydrophobicContact CD1-CD2 4.31Å; F107-L175 HydrophobicContact CE1-CD2 3.7Å; F107-L175 HydrophobicContact CZ-CD2 3.93Å; V113-L175 HydrophobicContact CG1-CD1 4.45Å; V113-L175 HydrophobicContact CG1-CD2 4.43Å; L115-L175 HydrophobicContact CB-CD1 4.2Å; L115-L175 HydrophobicContact CD1-CD1 4.12Å; L115-L175 HydrophobicContact CD2-CD1 4.47Å; L115-L175 HydrophobicContact CG-CD1 4.49Å; V144-L175 HydrophobicContact CB-CD1 4.28Å; V144-L175 HydrophobicContact CB-CD2 4.42Å; V144-L175 HydrophobicContact CG1-CD1 4.24Å; V144-L175 HydrophobicContact CG1-CD2 4.28Å; V144-L175 HydrophobicContact CG2-CD2 3.9Å; I171-L175 HydrophobicContact CG2-CD1 4.12Å; I171-L175 HydrophobicContact CG2-CG 4.43Å; I171-L175 WeakPolarHBondContact O-CB 3.4Å; I171-L175 VanDerWaalsContact O-CG 3.31Å; I171-L175 WeakPolarHBondContact O-CG 3.47Å; I171-L175 PolarHBondContact O-N 2.72Å; Y172-L175 PolarHBondContact O-N 3.47Å; D173-L175 VanDerWaalsContact C-N 3.29Å; D173-L175 PolarHBondContact O-N 3.05Å; L175-Q177 PolarHBondContact O-N 3.11Å; L175-R178 PolarHBondContact O-N 2.63Å; L175-M179 HydrophobicContact CB-SD 4.19Å; L175-M179 VanDerWaalsContact O-CG 3.3Å; L175-M179 WeakPolarHBondContact O-CG 3.34Å; L175-M179 PolarHBondContact O-N 2.82Å; L175-L185 HydrophobicContact CB-CD2 4.28Å; L175-L185 HydrophobicContact CD1-CD1 4.13Å
176	R	79.4	Confident	75	Confident	51 Å²	51	47.5 Å²	47.5	19%	0.192	23%	0.232	C	C	.	.	H	α-helix	trans	-61.4	-30.7	-179	-80.5	-62.4	-171.4	-176.9	1.7	114.1	Y172 D173 R178 L183 L185 D214 S215	Y172-R176 HydrophobicContact CD1-CG 4.15Å; Y172-R176 HydrophobicContact CE1-CG 3.58Å; Y172-R176 HydrophobicContact CE2-CG 4.35Å; Y172-R176 PolarHBondContact O-N 2.71Å; Y172-R176 PolarHBondContact OH-NE 2.81Å; Y172-R176 PolarHBondContact OH-NH2 3.08Å; D173-R176 PolarHBondContact O-N 3.35Å; R176-R178 VanDerWaalsContact C-N 3.26Å; R176-R178 PolarHBondContact O-N 2.74Å; R176-L183 PolarHBondContact NH1-O 3.45Å; R176-L185 HydrophobicContact CG-CD2 4.1Å; R176-D214 PolarHBondContact NH2-O 3.23Å; R176-S215 PolarHBondContact NH2-OG 3.15Å
177	Q	81.4	Confident	74.6	Confident	152 Å²	152	45.5 Å²	45.5	71%	0.71	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-18.9	174.4	-71.4	171.7	11.8	0	0	113.8	D173 L175	D173-Q177 VanDerWaalsContact O-CG 3.31Å; D173-Q177 WeakPolarHBondContact O-CG 3.37Å; D173-Q177 PolarHBondContact O-N 3.06Å; L175-Q177 PolarHBondContact O-N 3.11Å
178	R	79.9	Confident	74.1	Confident	84 Å²	84	45.7 Å²	45.7	32%	0.317	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111	-26.5	-172.8	-72.9	172.9	176.4	69.8	7.4	113.8	F107 W174 L175 R176	F107-R178 HydrophobicContact CB-CB 4.28Å; W174-R178 VanDerWaalsContact NE1-NH1 3.2Å; W174-R178 PolarHBondContact O-NH1 3.1Å; L175-R178 PolarHBondContact O-N 2.63Å; R176-R178 VanDerWaalsContact C-N 3.26Å; R176-R178 PolarHBondContact O-N 2.74Å
179	M	76.7	Confident	73.6	Confident	10 Å²	10	45.7 Å²	45.7	5%	0.049	22%	0.218	C	C	.	.	S	Bend	trans	-76.5	149.3	173.7	-67	175.8	62.1	0	0	110.5	V113 L175 K181 L183 L185	V113-M179 HydrophobicContact CB-CE 3.59Å; V113-M179 HydrophobicContact CB-SD 3.67Å; V113-M179 HydrophobicContact CG1-SD 4.17Å; V113-M179 HydrophobicContact CG2-CE 3.43Å; V113-M179 VanDerWaalsContact CG2-CE 3.43Å; V113-M179 HydrophobicContact CG2-CG 4Å; V113-M179 HydrophobicContact CG2-SD 3.56Å; V113-M179 VanDerWaalsContact CG2-SD 3.56Å; L175-M179 HydrophobicContact CB-SD 4.19Å; L175-M179 VanDerWaalsContact O-CG 3.3Å; L175-M179 WeakPolarHBondContact O-CG 3.34Å; L175-M179 PolarHBondContact O-N 2.82Å; M179-K181 PolarHBondContact O-N 2.59Å; M179-L183 HydrophobicContact CE-CB 4.15Å; M179-L185 HydrophobicContact CE-CB 3.98Å; M179-L185 HydrophobicContact CE-CD1 4.45Å; M179-L185 HydrophobicContact SD-CB 4.17Å; M179-L185 HydrophobicContact SD-CD1 3.96Å; M179-L185 HydrophobicContact SD-CD2 4.34Å; M179-L185 HydrophobicContact SD-CG 4.39Å
180	E	70	Confident	73	Confident	93 Å²	93	45.1 Å²	45.1	44%	0.435	22%	0.215	S	C	.	.			trans	-61.5	136.4	165.9	-58.7	-167.5	160.5	0	0	109.8	T182 L183	E180-T182 PolarHBondContact O-N 3.38Å; E180-L183 HydrophobicContact CB-CD1 3.92Å; E180-L183 HydrophobicContact CB-CG 4.2Å; E180-L183 HydrophobicContact CG-CD1 4.26Å; E180-L183 PolarHBondContact O-N 3.39Å
181	K	66.4	Low	71.7	Confident	178 Å²	178	42.8 Å²	42.8	77%	0.774	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.2	-177.1	-65.9	-173.3	178	-177.3	0	113.2	M179	M179-K181 PolarHBondContact O-N 2.59Å
182	T	60.8	Low	70.2	Confident	119 Å²	119	43.1 Å²	43.1	73%	0.73	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-18.8	178.8	47.5	0	0	0	0	113.2	E180	E180-T182 PolarHBondContact O-N 3.38Å
183	L	66.7	Low	68.7	Low	18 Å²	18	42.9 Å²	42.9	9%	0.094	21%	0.207	C	C	.	.	S	Bend	trans	-85.8	137.4	-176.4	-71.6	166.5	0	0	0	111.9	S109 R176 M179 E180 L185	S109-L183 WeakPolarHBondContact O-CD1 3.47Å; R176-L183 PolarHBondContact NH1-O 3.45Å; M179-L183 HydrophobicContact CE-CB 4.15Å; E180-L183 HydrophobicContact CB-CD1 3.92Å; E180-L183 HydrophobicContact CB-CG 4.2Å; E180-L183 HydrophobicContact CG-CD1 4.26Å; E180-L183 PolarHBondContact O-N 3.39Å; L183-L185 PolarHBondContact O-N 3.25Å
184	P	67	Low	67.2	Low	46 Å²	46	39.7 Å²	39.7	30%	0.299	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-74.1	126.9	176.6	29.9	-32.4	0	0	0	110.5	P112 Y186	P112-P184 HydrophobicContact CB-CG 4.11Å; P184-Y186 HydrophobicContact CB-CE1 4.3Å; P184-Y186 HydrophobicContact CB-CE2 3.85Å; P184-Y186 HydrophobicContact CG-CE2 3.79Å
185	L	70.1	Confident	65.5	Low	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	122.6	166	176.9	56.1	0	0	0	108.6	V113 L115 Y172 L175 R176 M179 L183 G216	V113-L185 HydrophobicContact CB-CD1 3.99Å; V113-L185 HydrophobicContact CG1-CD1 3.92Å; L115-L185 HydrophobicContact CB-CD1 4.31Å; Y172-L185 HydrophobicContact CD2-CD2 3.56Å; Y172-L185 HydrophobicContact CE2-CD2 3.34Å; Y172-L185 HydrophobicContact CE2-CG 4.16Å; Y172-L185 HydrophobicContact CG-CD2 4.46Å; L175-L185 HydrophobicContact CB-CD2 4.28Å; L175-L185 HydrophobicContact CD1-CD1 4.13Å; R176-L185 HydrophobicContact CG-CD2 4.1Å; M179-L185 HydrophobicContact CE-CB 3.98Å; M179-L185 HydrophobicContact CE-CD1 4.45Å; M179-L185 HydrophobicContact SD-CB 4.17Å; M179-L185 HydrophobicContact SD-CD1 3.96Å; M179-L185 HydrophobicContact SD-CD2 4.34Å; M179-L185 HydrophobicContact SD-CG 4.39Å; L183-L185 PolarHBondContact O-N 3.25Å; L185-G216 PolarHBondContact O-N 2.74Å
186	Y	70.6	Confident	64.2	Low	24 Å²	24	40.9 Å²	40.9	9%	0.094	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	128.5	176.9	-59.7	-73.9	0	0	0	110.5	P112 V113 I114 L115 Y141 P184 G216 L337	P112-Y186 HydrophobicContact CB-CD2 4.32Å; P112-Y186 HydrophobicContact CB-CE2 3.86Å; V113-Y186 PolarHBondContact O-N 3.29Å; I114-Y186 CarbonylContact C-O 3.48Å; I114-Y186 VanDerWaalsContact CA-O 3.23Å; I114-Y186 WeakPolarHBondContact CA-O 3.38Å; I114-Y186 HydrophobicContact CG1-CD2 4.38Å; L115-Y186 PolarHBondContact N-O 2.92Å; Y141-Y186 HydrophobicContact CE1-CD2 4.39Å; Y141-Y186 HydrophobicContact CE1-CE2 4.16Å; P184-Y186 HydrophobicContact CB-CE1 4.3Å; P184-Y186 HydrophobicContact CB-CE2 3.85Å; P184-Y186 HydrophobicContact CG-CE2 3.79Å; Y186-G216 VanDerWaalsContact CA-O 3.27Å; Y186-G216 WeakPolarHBondContact CA-O 3.38Å; Y186-L337 HydrophobicContact CD1-CD2 3.44Å; Y186-L337 VanDerWaalsContact CD1-CD2 3.44Å; Y186-L337 HydrophobicContact CD2-CD2 3.94Å; Y186-L337 HydrophobicContact CE1-CD2 3.35Å; Y186-L337 HydrophobicContact CE2-CD2 3.85Å; Y186-L337 HydrophobicContact CG-CD2 3.72Å; Y186-L337 PolarHBondContact OH-O 3.11Å
187	I	65.9	Low	62.6	Low	6 Å²	6	38.5 Å²	38.5	3%	0.031	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	134.9	172.2	-54.6	177.7	0	0	0	108.1	L115 L117 Y172 S197 T201 G216 V217 K218	L115-I187 CarbonylContact O-C 3.59Å; L117-I187 HydrophobicContact CD1-CG2 3.59Å; L117-I187 HydrophobicContact CG-CG2 4.17Å; Y172-I187 HydrophobicContact CD2-CD1 3.98Å; Y172-I187 HydrophobicContact CE2-CD1 4.12Å; I187-S197 WeakPolarHBondContact CG2-OG 3.27Å; I187-T201 WeakPolarHBondContact CD1-OG1 2.96Å; I187-G216 PolarHBondContact N-O 2.9Å; I187-V217 HydrophobicContact CB-CG1 4.35Å; I187-V217 HydrophobicContact CD1-CG2 4.38Å; I187-K218 CarbonylContact C-O 3.36Å; I187-K218 CarbonylContact O-C 3.55Å; I187-K218 WeakPolarHBondContact O-CA 3.41Å; I187-K218 VanDerWaalsContact O-CB 3.25Å; I187-K218 WeakPolarHBondContact O-CB 3.3Å; I187-K218 PolarHBondContact O-N 3.29Å
188	W	65.9	Low	61	Low	4 Å²	4	31.8 Å²	31.8	2%	0.015	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	109.3	173.3	-175.7	-63.9	0	0	0	110.5	I114 L115 Y116 L117 L132 K218 S220 F279 L329 L333	I114-W188 HydrophobicContact CG2-CB 3.9Å; L115-W188 PolarHBondContact O-N 3.03Å; Y116-W188 WeakPolarHBondContact CA-O 3.23Å; Y116-W188 HydrophobicContact CD2-CB 3.97Å; Y116-W188 AromaticContact CD2-CD1 3.27Å; Y116-W188 AromaticContact CD2-CG 3.69Å; Y116-W188 HydrophobicContact CD2-CG 3.69Å; Y116-W188 AromaticContact CD2-NE1 3.98Å; Y116-W188 AromaticContact CE2-CD1 3.21Å; Y116-W188 HydrophobicContact CE2-CG 4.05Å; Y116-W188 AromaticContact CE2-NE1 3.51Å; L117-W188 PolarHBondContact N-O 3.27Å; L132-W188 HydrophobicContact CD2-CZ2 4.43Å; W188-K218 WeakPolarHBondContact CA-O 3.37Å; W188-K218 HydrophobicContact CD2-CG 4.35Å; W188-K218 HydrophobicContact CE3-CB 4.22Å; W188-K218 HydrophobicContact CE3-CD 3.54Å; W188-K218 HydrophobicContact CE3-CG 3.69Å; W188-K218 HydrophobicContact CZ3-CD 3.48Å; W188-K218 VanDerWaalsContact CZ3-CD 3.48Å; W188-K218 HydrophobicContact CZ3-CG 3.91Å; W188-S220 VanDerWaalsContact CE2-CB 3.47Å; W188-S220 VanDerWaalsContact CZ2-CB 3.46Å; W188-S220 VanDerWaalsContact NE1-CB 3.29Å; W188-F279 HydrophobicContact CH2-CD2 4.23Å; W188-F279 AromaticContact CH2-CE2 3.68Å; W188-F279 HydrophobicContact CH2-CE2 3.68Å; W188-F279 HydrophobicContact CH2-CZ 4.43Å; W188-F279 HydrophobicContact CZ2-CD2 4.34Å; W188-F279 HydrophobicContact CZ2-CE2 4.24Å; W188-F279 HydrophobicContact CZ3-CE2 4.3Å; W188-L329 HydrophobicContact CH2-CD1 4.49Å; W188-L333 HydrophobicContact CH2-CD2 3.8Å; W188-L333 HydrophobicContact CZ3-CD2 3.44Å; W188-L333 VanDerWaalsContact CZ3-CD2 3.44Å
189	G	62.8	Low	59.7	Low	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	141	171	0	0	0	0	0	113.3	T194 K218 S220	G189-T194 PolarHBondContact O-OG1 2.87Å; G189-K218 PolarHBondContact N-O 3.35Å; G189-S220 CarbonylContact O-C 3.54Å; G189-S220 WeakPolarHBondContact O-CA 3.26Å; G189-S220 WeakPolarHBondContact O-CB 3.28Å; G189-S220 PolarHBondContact O-N 3.24Å
190	H	60.7	Low	58.1	Low	13 Å²	13	29 Å²	29	6%	0.06	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	126.2	168.9	-176.4	86.3	0	0	0	113.1	Y116 L117 G119 L192 G193 T194 S220 H320	Y116-H190 HydrophobicContact CE2-CB 4.27Å; Y116-H190 WeakPolarHBondContact OH-CB 3.48Å; L117-H190 PolarHBondContact O-N 3.39Å; G119-H190 WeakPolarHBondContact CA-O 3.18Å; G119-H190 PolarHBondContact N-O 3.46Å; H190-L192 PolarHBondContact O-N 3.14Å; H190-G193 WeakPolarHBondContact O-CA 3.43Å; H190-G193 PolarHBondContact O-N 3.44Å; H190-T194 WeakPolarHBondContact CA-OG1 3.26Å; H190-T194 PolarHBondContact N-OG1 3.13Å; H190-S220 WeakPolarHBondContact CA-O 3.39Å; H190-H320 PolarHBondContact CE1-O 3.38Å
191	S	56.3	Low	57	Low	13 Å²	13	24.7 Å²	24.7	9%	0.091	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	56.7	-114.8	175.8	-167.6	0	0	0	0	112.9	G193 T194 S220 R221 T223 H320	S191-G193 VanDerWaalsContact C-N 3.26Å; S191-G193 PolarHBondContact O-N 3.4Å; S191-T194 PolarHBondContact N-OG1 2.9Å; S191-T194 WeakPolarHBondContact O-CB 3.28Å; S191-T194 PolarHBondContact O-N 2.86Å; S191-T194 VanDerWaalsContact O-N 3.1Å; S191-T194 PolarHBondContact O-OG1 3.21Å; S191-T194 VanDerWaalsContact O-OG1 3.13Å; S191-S220 PolarHBondContact N-O 2.73Å; S191-R221 WeakPolarHBondContact CA-O 3.07Å; S191-R221 PolarHBondContact N-O 3.13Å; S191-R221 VanDerWaalsContact N-O 3.08Å; S191-T223 PolarHBondContact O-N 3.49Å; S191-T223 PolarHBondContact O-OG1 2.83Å; S191-H320 VanDerWaalsContact CB-NE2 3.34Å; S191-H320 WeakPolarHBondContact CB-NE2 2.95Å; S191-H320 PolarHBondContact OG-CE1 3.2Å; S191-H320 PolarHBondContact OG-NE2 2.89Å
192	L	49.9	Very low	56	Low	7 Å²	7	16.2 Å²	16.2	4%	0.037	10%	0.099	C	C	.	.	H	α-helix	trans	-63.9	-35.7	175.2	-148.6	90.3	0	0	0	111.5	N120 H190 T194 G195 Y196 T223 L226	N120-L192 HydrophobicContact CB-CB 3.66Å; N120-L192 HydrophobicContact CB-CD1 4.26Å; N120-L192 HydrophobicContact CB-CD2 3.55Å; N120-L192 HydrophobicContact CB-CG 4.03Å; H190-L192 PolarHBondContact O-N 3.14Å; L192-T194 PolarHBondContact O-N 3.1Å; L192-G195 PolarHBondContact O-N 2.93Å; L192-Y196 HydrophobicContact CB-CE2 4.44Å; L192-Y196 HydrophobicContact CD2-CD2 4.49Å; L192-Y196 HydrophobicContact CD2-CE2 3.42Å; L192-Y196 VanDerWaalsContact CD2-CE2 3.42Å; L192-Y196 HydrophobicContact CG-CE2 3.87Å; L192-Y196 VanDerWaalsContact O-CD2 3.3Å; L192-Y196 WeakPolarHBondContact O-CD2 3.14Å; L192-Y196 PolarHBondContact O-N 2.99Å; L192-T223 WeakPolarHBondContact CA-OG1 3.04Å; L192-L226 HydrophobicContact CD1-CD1 3.4Å; L192-L226 VanDerWaalsContact CD1-CD1 3.4Å; L192-L226 HydrophobicContact CD1-CG 4.1Å; L192-L226 HydrophobicContact CD2-CD1 3.91Å; L192-L226 HydrophobicContact CG-CD1 3.72Å
193	G	46.4	Very low	55.3	Low	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59.8	-16.5	174.3	0	0	0	0	0	112.2	H118 H190 S191 S197	H118-G193 VanDerWaalsContact O-CA 3.27Å; H118-G193 WeakPolarHBondContact O-CA 3.47Å; H190-G193 WeakPolarHBondContact O-CA 3.43Å; H190-G193 PolarHBondContact O-N 3.44Å; S191-G193 VanDerWaalsContact C-N 3.26Å; S191-G193 PolarHBondContact O-N 3.4Å; G193-S197 WeakPolarHBondContact O-CA 3.48Å; G193-S197 WeakPolarHBondContact O-CB 3.08Å; G193-S197 PolarHBondContact O-N 2.89Å
194	T	49.3	Very low	54.2	Low	2 Å²	2	12.6 Å²	12.6	1%	0.012	8%	0.075	C	C	.	.	H	α-helix	trans	-81.2	-31.1	176.1	-42.9	0	0	0	0	112.6	G189 H190 S191 L192 L198 L219 S220 R221 T222	G189-T194 PolarHBondContact O-OG1 2.87Å; H190-T194 WeakPolarHBondContact CA-OG1 3.26Å; H190-T194 PolarHBondContact N-OG1 3.13Å; S191-T194 PolarHBondContact N-OG1 2.9Å; S191-T194 WeakPolarHBondContact O-CB 3.28Å; S191-T194 PolarHBondContact O-N 2.86Å; S191-T194 VanDerWaalsContact O-N 3.1Å; S191-T194 PolarHBondContact O-OG1 3.21Å; S191-T194 VanDerWaalsContact O-OG1 3.13Å; L192-T194 PolarHBondContact O-N 3.1Å; T194-L198 VanDerWaalsContact O-CB 3.26Å; T194-L198 WeakPolarHBondContact O-CB 3.38Å; T194-L198 PolarHBondContact O-N 3Å; T194-L219 HydrophobicContact CG2-CB 3.61Å; T194-L219 HydrophobicContact CG2-CD1 4.3Å; T194-L219 HydrophobicContact CG2-CD2 3.57Å; T194-L219 HydrophobicContact CG2-CG 4Å; T194-S220 PolarHBondContact OG1-O 2.77Å; T194-R221 WeakPolarHBondContact CB-O 3.35Å; T194-R221 PolarHBondContact OG1-O 3.37Å; T194-T222 HydrophobicContact CG2-CG2 3.24Å
195	G	47.5	Very low	53.1	Low	29 Å²	29	10.5 Å²	10.5	30%	0.299	6%	0.061	S	C	.	.	H	α-helix	trans	-67.1	-46.6	168.7	0	0	0	0	0	111	L192 L198 L199	L192-G195 PolarHBondContact O-N 2.93Å; G195-L198 PolarHBondContact O-N 2.7Å; G195-L199 WeakPolarHBondContact O-CB 3.14Å; G195-L199 PolarHBondContact O-N 3.43Å
196	Y	53.6	Low	51.6	Low	10 Å²	10	14.5 Å²	14.5	4%	0.039	8%	0.08	C	C	.	.	H	α-helix	trans	-65.8	-39.3	173.5	-59	-56.8	0	0	0	112.5	F45 E161 M164 L192 L198 L199 S200	F45-Y196 WeakPolarHBondContact CE1-OH 3.43Å; E161-Y196 HydrophobicContact CG-CE1 4.2Å; M164-Y196 HydrophobicContact CB-CD1 4.41Å; M164-Y196 HydrophobicContact CB-CE1 4.45Å; M164-Y196 HydrophobicContact CE-CD2 3.85Å; M164-Y196 HydrophobicContact CE-CE2 3.42Å; M164-Y196 VanDerWaalsContact CE-CE2 3.42Å; M164-Y196 HydrophobicContact SD-CE1 4.15Å; M164-Y196 HydrophobicContact SD-CE2 3.88Å; L192-Y196 HydrophobicContact CB-CE2 4.44Å; L192-Y196 HydrophobicContact CD2-CD2 4.49Å; L192-Y196 HydrophobicContact CD2-CE2 3.42Å; L192-Y196 VanDerWaalsContact CD2-CE2 3.42Å; L192-Y196 HydrophobicContact CG-CE2 3.87Å; L192-Y196 VanDerWaalsContact O-CD2 3.3Å; L192-Y196 WeakPolarHBondContact O-CD2 3.14Å; L192-Y196 PolarHBondContact O-N 2.99Å; Y196-L198 VanDerWaalsContact C-N 3.34Å; Y196-L199 PolarHBondContact O-N 3.18Å; Y196-S200 WeakPolarHBondContact O-CA 3.38Å; Y196-S200 WeakPolarHBondContact O-CB 3.35Å; Y196-S200 PolarHBondContact O-N 2.74Å; Y196-S200 PolarHBondContact O-OG 3.49Å
197	S	47.4	Very low	50	Low	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62	-43.7	175.7	179.9	0	0	0	0	111	L117 I187 G193 T201 L219	L117-S197 VanDerWaalsContact CD1-CB 3.46Å; I187-S197 WeakPolarHBondContact CG2-OG 3.27Å; G193-S197 WeakPolarHBondContact O-CA 3.48Å; G193-S197 WeakPolarHBondContact O-CB 3.08Å; G193-S197 PolarHBondContact O-N 2.89Å; S197-T201 WeakPolarHBondContact O-CB 3.11Å; S197-T201 PolarHBondContact O-N 3.01Å; S197-T201 PolarHBondContact O-OG1 2.71Å; S197-L219 VanDerWaalsContact OG-CD2 3.26Å; S197-L219 WeakPolarHBondContact OG-CD2 3.45Å
198	L	47.9	Very low	48.7	Very low	11 Å²	11	18.2 Å²	18.2	6%	0.058	10%	0.1	C	C	.	.	H	α-helix	trans	-66.7	-46	176.9	-176.1	69	0	0	0	110.9	T194 G195 Y196 T201 V202 L219 M269	T194-L198 VanDerWaalsContact O-CB 3.26Å; T194-L198 WeakPolarHBondContact O-CB 3.38Å; T194-L198 PolarHBondContact O-N 3Å; G195-L198 PolarHBondContact O-N 2.7Å; Y196-L198 VanDerWaalsContact C-N 3.34Å; L198-T201 PolarHBondContact O-N 3.09Å; L198-V202 HydrophobicContact CD1-CG2 4.4Å; L198-V202 HydrophobicContact CG-CG2 4.46Å; L198-V202 WeakPolarHBondContact O-CB 3.43Å; L198-V202 WeakPolarHBondContact O-CG2 3.36Å; L198-V202 PolarHBondContact O-N 3.26Å; L198-L219 HydrophobicContact CB-CD1 4.41Å; L198-L219 HydrophobicContact CD1-CD1 3.97Å; L198-M269 HydrophobicContact CD1-CE 4.11Å; L198-M269 HydrophobicContact CD1-SD 4.48Å
199	L	51.4	Low	47.4	Very low	33 Å²	33	22.7 Å²	22.7	17%	0.173	13%	0.125	C	C	.	.	H	α-helix	trans	-62.9	-46.3	178.2	-178.6	63.2	0	0	0	111.9	E161 T165 G195 Y196 V202 L203 N265	E161-L199 HydrophobicContact CG-CD2 4.29Å; T165-L199 HydrophobicContact CG2-CD2 4.02Å; T165-L199 HydrophobicContact CG2-CG 3.94Å; T165-L199 WeakPolarHBondContact OG1-CD2 3.46Å; G195-L199 WeakPolarHBondContact O-CB 3.14Å; G195-L199 PolarHBondContact O-N 3.43Å; Y196-L199 PolarHBondContact O-N 3.18Å; L199-V202 PolarHBondContact O-N 3.08Å; L199-L203 HydrophobicContact CD1-CD1 4.14Å; L199-L203 HydrophobicContact CG-CD1 3.98Å; L199-L203 WeakPolarHBondContact O-CB 3.5Å; L199-L203 WeakPolarHBondContact O-CD1 3.34Å; L199-L203 WeakPolarHBondContact O-CG 3.28Å; L199-L203 PolarHBondContact O-N 3.48Å; L199-N265 WeakPolarHBondContact CD1-ND2 3.35Å
200	S	44.2	Very low	46.1	Very low	4 Å²	4	27.7 Å²	27.7	3%	0.028	16%	0.156	C	C	.	.	H	α-helix	trans	-64.4	-42.7	176.5	-51.4	0	0	0	0	110.3	A168 Y196 V202 L203 V204	A168-S200 WeakPolarHBondContact CB-OG 3.46Å; Y196-S200 WeakPolarHBondContact O-CA 3.38Å; Y196-S200 WeakPolarHBondContact O-CB 3.35Å; Y196-S200 PolarHBondContact O-N 2.74Å; Y196-S200 PolarHBondContact O-OG 3.49Å; S200-V202 VanDerWaalsContact C-N 3.34Å; S200-V202 PolarHBondContact O-N 3Å; S200-L203 PolarHBondContact O-N 2.93Å; S200-V204 VanDerWaalsContact O-CB 3.23Å; S200-V204 WeakPolarHBondContact O-CB 3.21Å; S200-V204 WeakPolarHBondContact O-CG2 3.39Å; S200-V204 PolarHBondContact O-N 2.88Å
201	T	45.6	Very low	44.9	Very low	1 Å²	1	33.5 Å²	33.5	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-59.5	-45	173.6	-62.6	0	0	0	0	110.9	I187 S197 L198 V204 L205 V217	I187-T201 WeakPolarHBondContact CD1-OG1 2.96Å; S197-T201 WeakPolarHBondContact O-CB 3.11Å; S197-T201 PolarHBondContact O-N 3.01Å; S197-T201 PolarHBondContact O-OG1 2.71Å; L198-T201 PolarHBondContact O-N 3.09Å; T201-V204 CarbonylContact O-C 3.52Å; T201-V204 WeakPolarHBondContact O-CB 3.3Å; T201-V204 PolarHBondContact O-N 2.87Å; T201-L205 HydrophobicContact CG2-CD1 3.76Å; T201-L205 HydrophobicContact CG2-CG 4.12Å; T201-L205 WeakPolarHBondContact O-CB 3.49Å; T201-L205 WeakPolarHBondContact O-CG 3.37Å; T201-L205 PolarHBondContact O-N 2.89Å; T201-V217 HydrophobicContact CG2-CB 4.21Å; T201-V217 HydrophobicContact CG2-CG1 3.96Å; T201-V217 HydrophobicContact CG2-CG2 3.37Å
202	V	46.1	Very low	43.9	Very low	1 Å²	1	37.4 Å²	37.4	1%	0.006	21%	0.21	C	C	.	.	H	α-helix	trans	-67.9	-39.7	-178.1	170.1	0	0	0	0	111.1	L198 L199 S200 L205 Q206 N265 L268 M269	L198-V202 HydrophobicContact CD1-CG2 4.4Å; L198-V202 HydrophobicContact CG-CG2 4.46Å; L198-V202 WeakPolarHBondContact O-CB 3.43Å; L198-V202 WeakPolarHBondContact O-CG2 3.36Å; L198-V202 PolarHBondContact O-N 3.26Å; L199-V202 PolarHBondContact O-N 3.08Å; S200-V202 VanDerWaalsContact C-N 3.34Å; S200-V202 PolarHBondContact O-N 3Å; V202-L205 PolarHBondContact O-N 2.64Å; V202-Q206 WeakPolarHBondContact O-CB 3.44Å; V202-Q206 VanDerWaalsContact O-CG 3.31Å; V202-Q206 WeakPolarHBondContact O-CG 3.31Å; V202-Q206 PolarHBondContact O-N 3.13Å; V202-N265 HydrophobicContact CB-CB 4.23Å; V202-N265 HydrophobicContact CG1-CB 3.96Å; V202-N265 HydrophobicContact CG2-CB 3.82Å; V202-L268 HydrophobicContact CG1-CB 4.21Å; V202-M269 HydrophobicContact CG2-CG 4.06Å
203	L	46.4	Very low	43.3	Very low	54 Å²	54	40.8 Å²	40.8	28%	0.283	23%	0.232	S	C	.	.	H	α-helix	trans	-66.7	-40.3	172.6	-73.6	161.4	0	0	0	112	T165 L169 L199 S200 L205 Q206 L207	T165-L203 HydrophobicContact CG2-CD1 3.2Å; L169-L203 HydrophobicContact CD1-CB 4.02Å; L169-L203 HydrophobicContact CD1-CD1 4.11Å; L169-L203 HydrophobicContact CD2-CB 3.93Å; L169-L203 HydrophobicContact CG-CB 4.47Å; L199-L203 HydrophobicContact CD1-CD1 4.14Å; L199-L203 HydrophobicContact CG-CD1 3.98Å; L199-L203 WeakPolarHBondContact O-CB 3.5Å; L199-L203 WeakPolarHBondContact O-CD1 3.34Å; L199-L203 WeakPolarHBondContact O-CG 3.28Å; L199-L203 PolarHBondContact O-N 3.48Å; S200-L203 PolarHBondContact O-N 2.93Å; L203-L205 VanDerWaalsContact C-N 3.33Å; L203-Q206 PolarHBondContact O-N 2.85Å; L203-L207 WeakPolarHBondContact O-CB 3.19Å; L203-L207 VanDerWaalsContact O-CG 3.3Å; L203-L207 WeakPolarHBondContact O-CG 3.19Å; L203-L207 PolarHBondContact O-N 3.43Å
204	V	43.2	Very low	42.9	Very low	6 Å²	6	44.7 Å²	44.7	4%	0.036	25%	0.253	C	S	.	.	H	α-helix	trans	-59.3	-45.4	171.3	162	0	0	0	0	109.9	L169 Y172 S200 T201 L207 I208	L169-V204 HydrophobicContact CD2-CB 4.29Å; L169-V204 HydrophobicContact CD2-CG2 3.39Å; Y172-V204 HydrophobicContact CD1-CB 4.33Å; Y172-V204 HydrophobicContact CD1-CG1 3.73Å; Y172-V204 HydrophobicContact CD1-CG2 3.52Å; Y172-V204 HydrophobicContact CD2-CG1 4.3Å; Y172-V204 HydrophobicContact CD2-CG2 4.15Å; Y172-V204 HydrophobicContact CE1-CB 4.31Å; Y172-V204 HydrophobicContact CE1-CG1 3.26Å; Y172-V204 HydrophobicContact CE1-CG2 3.99Å; Y172-V204 HydrophobicContact CE2-CG1 3.89Å; Y172-V204 HydrophobicContact CG-CG1 4.24Å; Y172-V204 HydrophobicContact CG-CG2 3.63Å; S200-V204 VanDerWaalsContact O-CB 3.23Å; S200-V204 WeakPolarHBondContact O-CB 3.21Å; S200-V204 WeakPolarHBondContact O-CG2 3.39Å; S200-V204 PolarHBondContact O-N 2.88Å; T201-V204 CarbonylContact O-C 3.52Å; T201-V204 WeakPolarHBondContact O-CB 3.3Å; T201-V204 PolarHBondContact O-N 2.87Å; V204-L207 CarbonylContact O-C 3.6Å; V204-L207 PolarHBondContact O-N 3.02Å; V204-I208 HydrophobicContact CG1-CD1 3.36Å; V204-I208 HydrophobicContact CG1-CG1 4.08Å; V204-I208 WeakPolarHBondContact O-CB 3.4Å; V204-I208 WeakPolarHBondContact O-CG1 3.3Å; V204-I208 PolarHBondContact O-N 2.97Å
205	L	43.8	Very low	42.6	Very low	2 Å²	2	45 Å²	45	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-65.6	-38.2	178.6	-70.4	170.6	0	0	0	111.3	T201 V202 L203 L207 I208 D209 M269 S271	T201-L205 HydrophobicContact CG2-CD1 3.76Å; T201-L205 HydrophobicContact CG2-CG 4.12Å; T201-L205 WeakPolarHBondContact O-CB 3.49Å; T201-L205 WeakPolarHBondContact O-CG 3.37Å; T201-L205 PolarHBondContact O-N 2.89Å; V202-L205 PolarHBondContact O-N 2.64Å; L203-L205 VanDerWaalsContact C-N 3.33Å; L205-L207 VanDerWaalsContact C-N 3.35Å; L205-I208 PolarHBondContact O-N 3.01Å; L205-D209 PolarHBondContact O-N 3.47Å; L205-M269 HydrophobicContact CD1-CB 3.83Å; L205-M269 HydrophobicContact CD1-CG 3.59Å; L205-M269 HydrophobicContact CD1-SD 3.93Å; L205-S271 VanDerWaalsContact CD2-CB 3.44Å; L205-S271 WeakPolarHBondContact CD2-OG 3.44Å
206	Q	39.3	Very low	42.2	Very low	84 Å²	84	43.8 Å²	43.8	39%	0.393	24%	0.243	S	C	.	.	H	α-helix	trans	-64.6	-37.7	172.1	-75.4	177.3	-33.9	0	0	112.4	V202 L203	V202-Q206 WeakPolarHBondContact O-CB 3.44Å; V202-Q206 VanDerWaalsContact O-CG 3.31Å; V202-Q206 WeakPolarHBondContact O-CG 3.31Å; V202-Q206 PolarHBondContact O-N 3.13Å; L203-Q206 PolarHBondContact O-N 2.85Å
207	L	36.3	Very low	41.5	Very low	88 Å²	88	43.5 Å²	43.5	46%	0.461	24%	0.242	S	C	.	.	H	α-helix	trans	-72.8	-34.5	173.3	-70.7	165.2	0	0	0	111.5	L169 L203 V204 L205 T210	L169-L207 HydrophobicContact CD2-CD1 3.96Å; L203-L207 WeakPolarHBondContact O-CB 3.19Å; L203-L207 VanDerWaalsContact O-CG 3.3Å; L203-L207 WeakPolarHBondContact O-CG 3.19Å; L203-L207 PolarHBondContact O-N 3.43Å; V204-L207 CarbonylContact O-C 3.6Å; V204-L207 PolarHBondContact O-N 3.02Å; L205-L207 VanDerWaalsContact C-N 3.35Å; L207-T210 PolarHBondContact O-N 2.92Å; L207-T210 VanDerWaalsContact O-N 3.16Å; L207-T210 PolarHBondContact O-OG1 3.44Å
208	I	39.2	Very low	40.9	Very low	20 Å²	20	43.6 Å²	43.6	10%	0.103	24%	0.243	C	C	.	.	H	α-helix	trans	-74.7	-28.7	178.8	-81.9	175.4	0	0	0	112.6	Y172 V204 L205 T210 L211 T212	Y172-I208 HydrophobicContact CE1-CD1 4.11Å; Y172-I208 VanDerWaalsContact OH-CD1 3.27Å; Y172-I208 WeakPolarHBondContact OH-CD1 3.34Å; V204-I208 HydrophobicContact CG1-CD1 3.36Å; V204-I208 HydrophobicContact CG1-CG1 4.08Å; V204-I208 WeakPolarHBondContact O-CB 3.4Å; V204-I208 WeakPolarHBondContact O-CG1 3.3Å; V204-I208 PolarHBondContact O-N 2.97Å; L205-I208 PolarHBondContact O-N 3.01Å; I208-T210 PolarHBondContact O-N 3.01Å; I208-L211 PolarHBondContact O-N 3.3Å; I208-T212 WeakPolarHBondContact CG2-O 3.26Å; I208-T212 PolarHBondContact O-N 3.23Å; I208-T212 VanDerWaalsContact O-N 3.08Å
209	D	37.3	Very low	40.2	Very low	98 Å²	98	43.1 Å²	43.1	52%	0.524	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-17.6	168.1	-97.2	-7.6	0	0	0	111.6	L205	L205-D209 PolarHBondContact O-N 3.47Å
210	T	37.5	Very low	39.1	Very low	106 Å²	106	41.6 Å²	41.6	65%	0.65	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-14.3	167.7	68	0	0	0	0	114.7	L207 I208	L207-T210 PolarHBondContact O-N 2.92Å; L207-T210 VanDerWaalsContact O-N 3.16Å; L207-T210 PolarHBondContact O-OG1 3.44Å; I208-T210 PolarHBondContact O-N 3.01Å
211	L	34.3	Very low	38.6	Very low	134 Å²	134	41.7 Å²	41.7	70%	0.702	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-143.8	-18.9	-160	-79.1	164	0	0	0	122.1	I208	I208-L211 PolarHBondContact O-N 3.3Å
212	T	35	Very low	37.8	Very low	96 Å²	96	42.2 Å²	42.2	59%	0.589	24%	0.235	S	C	*	.			trans	160.6	152.4	164.4	32.8	0	0	0	0	118.4	I208	I208-T212 WeakPolarHBondContact CG2-O 3.26Å; I208-T212 PolarHBondContact O-N 3.23Å; I208-T212 VanDerWaalsContact O-N 3.08Å
213	P	37.5	Very low	36.9	Very low	78 Å²	78	43.1 Å²	43.1	51%	0.506	24%	0.241	S	C	.	.			trans	-95.2	8.6	-152.6	-3.7	24.7	0	0	0	122.1	G272	P213-G272 CarbonylContact O-C 3.25Å; P213-G272 WeakPolarHBondContact O-CA 3.4Å
214	D	39.2	Very low	36.3	Very low	81 Å²	81	41.9 Å²	41.9	43%	0.433	23%	0.233	S	C	.	.			trans	-121.7	84.7	-166.1	-77.5	-44.7	0	0	0	115.5	R176	R176-D214 PolarHBondContact NH2-O 3.23Å
215	S	41.2	Very low	35.7	Very low	8 Å²	8	44.1 Å²	44.1	6%	0.056	25%	0.245	C	C	.	.			trans	-138.8	141.4	176.1	-46.5	0	0	0	0	113.5	Y172 R176 K273 T274	Y172-S215 PolarHBondContact OH-OG 3.33Å; R176-S215 PolarHBondContact NH2-OG 3.15Å; S215-K273 CarbonylContact O-C 3.17Å; S215-T274 WeakPolarHBondContact O-CA 3.34Å; S215-T274 PolarHBondContact O-OG1 3.43Å
216	G	39.7	Very low	35	Very low	4 Å²	4	45.7 Å²	45.7	4%	0.041	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	147.1	177	0	0	0	0	0	112.8	L185 Y186 I187	L185-G216 PolarHBondContact O-N 2.74Å; Y186-G216 VanDerWaalsContact CA-O 3.27Å; Y186-G216 WeakPolarHBondContact CA-O 3.38Å; I187-G216 PolarHBondContact N-O 2.9Å
217	V	39.3	Very low	34.3	Very low	4 Å²	4	44 Å²	44	2%	0.024	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	111.6	-170.2	179.2	0	0	0	0	112.5	I187 T201 L219 T274 R275 L276	I187-V217 HydrophobicContact CB-CG1 4.35Å; I187-V217 HydrophobicContact CD1-CG2 4.38Å; T201-V217 HydrophobicContact CG2-CB 4.21Å; T201-V217 HydrophobicContact CG2-CG1 3.96Å; T201-V217 HydrophobicContact CG2-CG2 3.37Å; V217-L219 HydrophobicContact CG1-CD2 4.26Å; V217-L219 HydrophobicContact CG1-CG 4.26Å; V217-T274 HydrophobicContact CB-CG2 3.97Å; V217-T274 HydrophobicContact CG2-CG2 3.9Å; V217-R275 CarbonylContact C-O 3.45Å; V217-R275 VanDerWaalsContact C-O 3.25Å; V217-R275 PolarHBondContact N-O 2.75Å; V217-R275 VanDerWaalsContact N-O 3.13Å; V217-R275 CarbonylContact O-C 3.56Å; V217-L276 HydrophobicContact CG1-CD1 4.43Å; V217-L276 WeakPolarHBondContact O-CA 3.29Å; V217-L276 WeakPolarHBondContact O-CD1 3.4Å
218	K	35.4	Very low	33.8	Very low	3 Å²	3	40.6 Å²	40.6	1%	0.013	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	131.6	177.7	-161.1	152	-171	149.9	0	111.6	I187 W188 G189 Q277 L333 F336	I187-K218 CarbonylContact C-O 3.36Å; I187-K218 CarbonylContact O-C 3.55Å; I187-K218 WeakPolarHBondContact O-CA 3.41Å; I187-K218 VanDerWaalsContact O-CB 3.25Å; I187-K218 WeakPolarHBondContact O-CB 3.3Å; I187-K218 PolarHBondContact O-N 3.29Å; W188-K218 WeakPolarHBondContact CA-O 3.37Å; W188-K218 HydrophobicContact CD2-CG 4.35Å; W188-K218 HydrophobicContact CE3-CB 4.22Å; W188-K218 HydrophobicContact CE3-CD 3.54Å; W188-K218 HydrophobicContact CE3-CG 3.69Å; W188-K218 HydrophobicContact CZ3-CD 3.48Å; W188-K218 VanDerWaalsContact CZ3-CD 3.48Å; W188-K218 HydrophobicContact CZ3-CG 3.91Å; G189-K218 PolarHBondContact N-O 3.35Å; K218-Q277 HydrophobicContact CG-CB 4.22Å; K218-L333 HydrophobicContact CD-CD2 4.24Å; K218-F336 HydrophobicContact CB-CE1 4.4Å; K218-F336 HydrophobicContact CD-CD1 3.97Å; K218-F336 HydrophobicContact CD-CE1 3.98Å; K218-F336 HydrophobicContact CG-CE1 4.27Å
219	L	33	Very low	33.2	Very low	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	100.4	-178.3	-68	179.5	0	0	0	111.1	T194 S197 L198 V217 T222 L276 Q277 I278 F279	T194-L219 HydrophobicContact CG2-CB 3.61Å; T194-L219 HydrophobicContact CG2-CD1 4.3Å; T194-L219 HydrophobicContact CG2-CD2 3.57Å; T194-L219 HydrophobicContact CG2-CG 4Å; S197-L219 VanDerWaalsContact OG-CD2 3.26Å; S197-L219 WeakPolarHBondContact OG-CD2 3.45Å; L198-L219 HydrophobicContact CB-CD1 4.41Å; L198-L219 HydrophobicContact CD1-CD1 3.97Å; V217-L219 HydrophobicContact CG1-CD2 4.26Å; V217-L219 HydrophobicContact CG1-CG 4.26Å; L219-T222 HydrophobicContact CB-CG2 4.04Å; L219-T222 HydrophobicContact CD1-CG2 4.23Å; L219-L276 HydrophobicContact CB-CD1 4.09Å; L219-L276 HydrophobicContact CD1-CD1 3.32Å; L219-L276 HydrophobicContact CD1-CG 4.47Å; L219-L276 HydrophobicContact CG-CD1 3.57Å; L219-Q277 CarbonylContact C-O 3.6Å; L219-Q277 VanDerWaalsContact C-O 3.22Å; L219-Q277 WeakPolarHBondContact CA-O 3.18Å; L219-Q277 PolarHBondContact N-O 3.3Å; L219-I278 VanDerWaalsContact O-CA 3.3Å; L219-I278 WeakPolarHBondContact O-CA 3.26Å; L219-F279 PolarHBondContact O-N 3.07Å
220	S	28	Very low	32.7	Very low	2 Å²	2	39.2 Å²	39.2	1%	0.014	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	123.8	171.5	174.3	0	0	0	0	111	W188 G189 H190 S191 T194	W188-S220 VanDerWaalsContact CE2-CB 3.47Å; W188-S220 VanDerWaalsContact CZ2-CB 3.46Å; W188-S220 VanDerWaalsContact NE1-CB 3.29Å; G189-S220 CarbonylContact O-C 3.54Å; G189-S220 WeakPolarHBondContact O-CA 3.26Å; G189-S220 WeakPolarHBondContact O-CB 3.28Å; G189-S220 PolarHBondContact O-N 3.24Å; H190-S220 WeakPolarHBondContact CA-O 3.39Å; S191-S220 PolarHBondContact N-O 2.73Å; T194-S220 PolarHBondContact OG1-O 2.77Å
221	R	33.7	Very low	32.1	Very low	6 Å²	6	39.3 Å²	39.3	2%	0.023	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.3	87.5	175.5	-73.5	-176.3	156.8	134.4	3.4	114.2	S191 T194 F279 R319 H320 I323	S191-R221 WeakPolarHBondContact CA-O 3.07Å; S191-R221 PolarHBondContact N-O 3.13Å; S191-R221 VanDerWaalsContact N-O 3.08Å; T194-R221 WeakPolarHBondContact CB-O 3.35Å; T194-R221 PolarHBondContact OG1-O 3.37Å; R221-F279 WeakPolarHBondContact CA-O 3.15Å; R221-F279 WeakPolarHBondContact CG-O 3.44Å; R221-F279 PolarHBondContact N-O 2.92Å; R221-R319 PolarHBondContact NH1-O 3.34Å; R221-R319 PolarHBondContact NH2-O 3.45Å; R221-H320 PolarHBondContact NH1-O 2.91Å; R221-I323 HydrophobicContact CG-CD1 4.07Å; R221-I323 VanDerWaalsContact NH1-CD1 3.27Å
222	T	28.3	Very low	31.8	Very low	11 Å²	11	35 Å²	35	7%	0.067	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	119.8	178.5	53.5	0	0	0	0	111	T194 L219 I278 L292	T194-T222 HydrophobicContact CG2-CG2 3.24Å; L219-T222 HydrophobicContact CB-CG2 4.04Å; L219-T222 HydrophobicContact CD1-CG2 4.23Å; T222-I278 HydrophobicContact CG2-CG2 4.49Å; T222-L292 HydrophobicContact CG2-CD2 3.36Å; T222-L292 WeakPolarHBondContact OG1-CD2 3.34Å
223	T	28	Very low	31.3	Very low	21 Å²	21	35.5 Å²	35.5	13%	0.129	20%	0.197	C	C	.	.			trans	-92	94.9	157.9	52.9	0	0	0	0	107.9	S191 L192 N225	S191-T223 PolarHBondContact O-N 3.49Å; S191-T223 PolarHBondContact O-OG1 2.83Å; L192-T223 WeakPolarHBondContact CA-OG1 3.04Å; T223-N225 PolarHBondContact O-N 3.37Å
224	Q	32.9	Very low	30.7	Very low	27 Å²	27	33.3 Å²	33.3	13%	0.126	18%	0.183	C	C	.	.	S	Bend	trans	-61	-23.3	177.7	-102.1	176.1	-29.1	0	0	113.2	S262 L292	Q224-S262 WeakPolarHBondContact O-CB 3.25Å; Q224-S262 PolarHBondContact O-OG 2.9Å; Q224-L292 HydrophobicContact CG-CD1 4.41Å
225	N	31.8	Very low	30	Very low	54 Å²	54	34.2 Å²	34.2	29%	0.289	19%	0.187	S	C	.	.			trans	-139.9	114.5	-175.4	-74.7	-37.7	0	0	0	110.2	T223 C227 S228 S229	T223-N225 PolarHBondContact O-N 3.37Å; N225-C227 PolarHBondContact O-N 3.28Å; N225-S228 WeakPolarHBondContact CB-OG 3.22Å; N225-S228 PolarHBondContact O-N 3.11Å; N225-S228 PolarHBondContact O-OG 3.36Å; N225-S229 PolarHBondContact O-N 3.23Å; N225-S229 VanDerWaalsContact O-N 3.09Å
226	L	28.2	Very low	29.2	Very low	35 Å²	35	40.4 Å²	40.4	18%	0.183	22%	0.219	C	C	.	.	H	α-helix	trans	-51.1	-39.2	168.1	-134.9	87	0	0	0	110	V44 L192 S228 S229 L230 V258	V44-L226 HydrophobicContact CG1-CD2 3.53Å; V44-L226 HydrophobicContact CG1-CG 4.38Å; L192-L226 HydrophobicContact CD1-CD1 3.4Å; L192-L226 VanDerWaalsContact CD1-CD1 3.4Å; L192-L226 HydrophobicContact CD1-CG 4.1Å; L192-L226 HydrophobicContact CD2-CD1 3.91Å; L192-L226 HydrophobicContact CG-CD1 3.72Å; L226-S228 PolarHBondContact O-N 3.13Å; L226-S229 PolarHBondContact O-N 3.27Å; L226-L230 WeakPolarHBondContact O-CG 3.45Å; L226-L230 PolarHBondContact O-N 2.82Å; L226-V258 HydrophobicContact CB-CG1 4.37Å; L226-V258 HydrophobicContact CD2-CG1 4Å
227	C	24.6	Very low	28.4	Very low	49 Å²	49	47 Å²	47	33%	0.331	25%	0.253	S	S	.	.	H	α-helix	trans	-66.6	-30.4	176.8	-166.3	0	0	0	0	113.6	N225 K231 L259	N225-C227 PolarHBondContact O-N 3.28Å; C227-K231 VanDerWaalsContact O-CG 3.32Å; C227-K231 WeakPolarHBondContact O-CG 3.16Å; C227-K231 PolarHBondContact O-N 3.3Å; C227-L259 HydrophobicContact CB-CD1 3.92Å; C227-L259 HydrophobicContact CB-CD2 3.51Å; C227-L259 HydrophobicContact CB-CG 4.24Å
228	S	26	Very low	28	Very low	15 Å²	15	49.4 Å²	49.4	11%	0.105	27%	0.265	C	S	.	.	H	α-helix	trans	-79.2	-29.1	174.5	76.9	0	0	0	0	113	N225 L226 K231 S232 R288	N225-S228 WeakPolarHBondContact CB-OG 3.22Å; N225-S228 PolarHBondContact O-N 3.11Å; N225-S228 PolarHBondContact O-OG 3.36Å; L226-S228 PolarHBondContact O-N 3.13Å; S228-K231 PolarHBondContact O-N 3.25Å; S228-S232 PolarHBondContact O-N 3.07Å; S228-S232 PolarHBondContact O-OG 2.82Å; S228-R288 PolarHBondContact OG-NH1 3.28Å
229	S	25.7	Very low	27.4	Very low	35 Å²	35	58.2 Å²	58.2	25%	0.245	31%	0.306	C	S	.	.	H	α-helix	trans	-73.1	-36.5	172	-160.2	0	0	0	0	110.5	N225 L226 S232 H233	N225-S229 PolarHBondContact O-N 3.23Å; N225-S229 VanDerWaalsContact O-N 3.09Å; L226-S229 PolarHBondContact O-N 3.27Å; S229-S232 PolarHBondContact O-N 3.1Å; S229-H233 WeakPolarHBondContact O-CB 3.42Å; S229-H233 PolarHBondContact O-N 3.34Å
230	L	27.5	Very low	27.2	Very low	55 Å²	55	59.4 Å²	59.4	29%	0.288	31%	0.314	S	S	.	.	H	α-helix	trans	-64.3	-41.1	168	-76.1	159.7	0	0	0	111.4	V44 L226 S232 H233 C234	V44-L230 HydrophobicContact CG2-CD1 3.89Å; V44-L230 HydrophobicContact CG2-CD2 3.83Å; V44-L230 HydrophobicContact CG2-CG 4.38Å; L226-L230 WeakPolarHBondContact O-CG 3.45Å; L226-L230 PolarHBondContact O-N 2.82Å; L230-S232 VanDerWaalsContact C-N 3.3Å; L230-S232 PolarHBondContact O-N 3.31Å; L230-H233 PolarHBondContact O-N 3.48Å; L230-C234 WeakPolarHBondContact O-CA 3.43Å; L230-C234 WeakPolarHBondContact O-CB 3.27Å; L230-C234 PolarHBondContact O-N 3.38Å; L230-C234 PolarHBondContact O-SG 3.5Å
231	K	25.8	Very low	27.2	Very low	108 Å²	108	67.8 Å²	67.8	47%	0.47	35%	0.354	S	S	.	.	H	α-helix	trans	-56.1	-43.9	170.3	-77	175.2	-178	-173.7	0	111.4	C227 S228 I235	C227-K231 VanDerWaalsContact O-CG 3.32Å; C227-K231 WeakPolarHBondContact O-CG 3.16Å; C227-K231 PolarHBondContact O-N 3.3Å; S228-K231 PolarHBondContact O-N 3.25Å; K231-I235 WeakPolarHBondContact O-CB 3.36Å; K231-I235 VanDerWaalsContact O-CD1 3.24Å; K231-I235 WeakPolarHBondContact O-CD1 3.31Å; K231-I235 WeakPolarHBondContact O-CG1 3.3Å; K231-I235 PolarHBondContact O-N 3.5Å
232	S	26.4	Very low	27.2	Very low	44 Å²	44	76.3 Å²	76.3	31%	0.308	39%	0.393	S	S	.	.	H	α-helix	trans	-75.5	-29.1	179	-59.7	0	0	0	0	115	S228 S229 L230 L236	S228-S232 PolarHBondContact O-N 3.07Å; S228-S232 PolarHBondContact O-OG 2.82Å; S229-S232 PolarHBondContact O-N 3.1Å; L230-S232 VanDerWaalsContact C-N 3.3Å; L230-S232 PolarHBondContact O-N 3.31Å; S232-L236 PolarHBondContact O-N 3.19Å
233	H	26.1	Very low	27.4	Very low	106 Å²	106	80.6 Å²	80.6	49%	0.491	42%	0.419	S	S	.	.	H	α-helix	trans	-78.9	-33.9	172.8	-122	62.9	0	0	0	111.9	S229 L230 L236	S229-H233 WeakPolarHBondContact O-CB 3.42Å; S229-H233 PolarHBondContact O-N 3.34Å; L230-H233 PolarHBondContact O-N 3.48Å; H233-L236 WeakPolarHBondContact O-CB 3.49Å; H233-L236 PolarHBondContact O-N 2.87Å
234	C	24	Very low	27.4	Very low	32 Å²	32	83.9 Å²	83.9	22%	0.216	46%	0.457	C	S	.	.	H	α-helix	trans	-70.4	-30.7	169	-68.2	0	0	0	0	111.3	L230 L236 L237 D238	L230-C234 WeakPolarHBondContact O-CA 3.43Å; L230-C234 WeakPolarHBondContact O-CB 3.27Å; L230-C234 PolarHBondContact O-N 3.38Å; L230-C234 PolarHBondContact O-SG 3.5Å; C234-L236 PolarHBondContact O-N 3.12Å; C234-L237 CarbonylContact O-C 3.31Å; C234-L237 VanDerWaalsContact O-C 3.31Å; C234-L237 WeakPolarHBondContact O-CA 3.4Å; C234-L237 WeakPolarHBondContact O-CB 3.48Å; C234-L237 PolarHBondContact O-N 2.86Å; C234-D238 VanDerWaalsContact O-CB 3.25Å; C234-D238 WeakPolarHBondContact O-CB 3.11Å; C234-D238 PolarHBondContact O-N 3.26Å
235	I	24.8	Very low	27.3	Very low	100 Å²	100	85.8 Å²	85.8	51%	0.513	48%	0.484	S	S	.	.	H	α-helix	trans	-63.9	-27.3	170.2	-73.5	159.8	0	0	0	112.2	K231 L237 D238	K231-I235 WeakPolarHBondContact O-CB 3.36Å; K231-I235 VanDerWaalsContact O-CD1 3.24Å; K231-I235 WeakPolarHBondContact O-CD1 3.31Å; K231-I235 WeakPolarHBondContact O-CG1 3.3Å; K231-I235 PolarHBondContact O-N 3.5Å; I235-L237 PolarHBondContact O-N 2.78Å; I235-D238 CarbonylContact O-C 3.58Å; I235-D238 PolarHBondContact O-N 3.28Å
236	L	23.7	Very low	27.2	Very low	137 Å²	137	85.1 Å²	85.1	72%	0.717	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-19	169.7	-86.2	159.8	0	0	0	113	S232 H233 C234	S232-L236 PolarHBondContact O-N 3.19Å; H233-L236 WeakPolarHBondContact O-CB 3.49Å; H233-L236 PolarHBondContact O-N 2.87Å; C234-L236 PolarHBondContact O-N 3.12Å
237	L	24.1	Very low	27.3	Very low	144 Å²	144	85.6 Å²	85.6	75%	0.754	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-11.8	171	-69	166.2	0	0	0	112.7	C234 I235	C234-L237 CarbonylContact O-C 3.31Å; C234-L237 VanDerWaalsContact O-C 3.31Å; C234-L237 WeakPolarHBondContact O-CA 3.4Å; C234-L237 WeakPolarHBondContact O-CB 3.48Å; C234-L237 PolarHBondContact O-N 2.86Å; I235-L237 PolarHBondContact O-N 2.78Å
238	D	29.5	Very low	27.6	Very low	53 Å²	53	90.8 Å²	90.8	28%	0.283	52%	0.516	S	S	.	.			trans	-108	72.7	-177.8	-168.7	20	0	0	0	109.6	C234 I235 S240	C234-D238 VanDerWaalsContact O-CB 3.25Å; C234-D238 WeakPolarHBondContact O-CB 3.11Å; C234-D238 PolarHBondContact O-N 3.26Å; I235-D238 CarbonylContact O-C 3.58Å; I235-D238 PolarHBondContact O-N 3.28Å; D238-S240 PolarHBondContact O-N 3.44Å; D238-S240 WeakPolarHBondContact OD1-CA 3.33Å; D238-S240 WeakPolarHBondContact OD1-CB 3.38Å; D238-S240 PolarHBondContact OD1-N 2.83Å; D238-S240 VanDerWaalsContact OD1-N 3.1Å; D238-S240 PolarHBondContact OD1-OG 2.94Å
239	Q	24.2	Very low	27.9	Very low	189 Å²	189	94.6 Å²	94.6	88%	0.883	53%	0.531	S	S	*	.			trans	-79	31.5	157.2	-73	-82.2	-54.7	0	0	110.3
240	S	28.3	Very low	28.2	Very low	24 Å²	24	97.1 Å²	97.1	17%	0.168	54%	0.538	C	S	.	.			trans	-123.8	41.5	-177.6	84.6	0	0	0	0	113.4	Y26 D238 H242 V243	Y26-S240 PolarHBondContact OH-OG 3.13Å; D238-S240 PolarHBondContact O-N 3.44Å; D238-S240 WeakPolarHBondContact OD1-CA 3.33Å; D238-S240 WeakPolarHBondContact OD1-CB 3.38Å; D238-S240 PolarHBondContact OD1-N 2.83Å; D238-S240 VanDerWaalsContact OD1-N 3.1Å; D238-S240 PolarHBondContact OD1-OG 2.94Å; S240-H242 PolarHBondContact O-N 3.23Å; S240-V243 PolarHBondContact O-N 3.09Å
241	E	28.5	Very low	28.2	Very low	179 Å²	179	99.4 Å²	99.4	84%	0.836	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	4.9	165.1	-86.3	-170.7	163.7	0	0	113.9
242	H	33.9	Very low	28.4	Very low	184 Å²	184	97.2 Å²	97.2	85%	0.852	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	4.1	-178.9	-82.4	55.1	0	0	0	115.4	S240	S240-H242 PolarHBondContact O-N 3.23Å
243	V	31.4	Very low	28.6	Very low	102 Å²	102	98.6 Å²	98.6	62%	0.618	55%	0.552	S	S	*	*	S	Bend	trans	-125.5	94.6	176.8	-171.4	0	0	0	0	110	S240 G245	S240-V243 PolarHBondContact O-N 3.09Å; V243-G245 PolarHBondContact O-N 3.21Å; V243-G245 VanDerWaalsContact O-N 3.09Å
244	G	28.2	Very low	28.6	Very low	89 Å²	89	97.8 Å²	97.8	92%	0.918	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.5	113.6	176.1	0	0	0	0	0	111.5
245	G	31.5	Very low	28.9	Very low	67 Å²	67	101.6 Å²	101.6	69%	0.691	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	136.8	-14.3	170.5	0	0	0	0	0	116.5	V243	V243-G245 PolarHBondContact O-N 3.21Å; V243-G245 VanDerWaalsContact O-N 3.09Å
246	S	29.2	Very low	29	Very low	40 Å²	40	101.4 Å²	101.4	28%	0.28	59%	0.586	S	S	.	*	S	Bend	trans	-84.6	-20.3	-176.9	53.3	0	0	0	0	114.8	E248 F249	S246-E248 VanDerWaalsContact C-N 3.32Å; S246-E248 PolarHBondContact O-N 3.35Å; S246-F249 PolarHBondContact O-N 2.83Å
247	G	29.3	Very low	29.2	Very low	45 Å²	45	99.9 Å²	99.9	46%	0.464	59%	0.593	S	S	.	*	H	α-helix	trans	-64.1	-30.8	-177.6	0	0	0	0	0	114.5	L251	G247-L251 VanDerWaalsContact O-CD1 3.31Å; G247-L251 WeakPolarHBondContact O-CD1 3.06Å; G247-L251 WeakPolarHBondContact O-CG 3.5Å
248	E	32.3	Very low	29.7	Very low	159 Å²	159	95.7 Å²	95.7	74%	0.743	57%	0.573	S	S	*	*	H	α-helix	trans	-77.5	-23.7	178.1	-68	-164.6	153.7	0	0	113.4	S246 F250 L251 S252	S246-E248 VanDerWaalsContact C-N 3.32Å; S246-E248 PolarHBondContact O-N 3.35Å; E248-F250 PolarHBondContact O-N 3.35Å; E248-L251 PolarHBondContact O-N 3.3Å; E248-S252 PolarHBondContact O-N 3.02Å
249	F	32.3	Very low	29.7	Very low	94 Å²	94	96.8 Å²	96.8	41%	0.412	58%	0.579	S	S	.	*	H	α-helix	trans	-68.5	-36.8	-178	-160.2	-95.6	0	0	0	112.2	P30 F31 S246	P30-F249 HydrophobicContact CB-CD1 3.92Å; P30-F249 HydrophobicContact CB-CE1 3.8Å; F31-F249 HydrophobicContact CD2-CZ 4.16Å; S246-F249 PolarHBondContact O-N 2.83Å
250	F	30.4	Very low	29.8	Very low	88 Å²	88	91.9 Å²	91.9	39%	0.386	57%	0.57	S	S	.	*	H	α-helix	trans	-78.1	-23.9	172.1	-87.8	-84.3	0	0	0	113.4	P30 E248 S252	P30-F250 HydrophobicContact CB-CE2 4.13Å; P30-F250 HydrophobicContact CB-CZ 4.1Å; P30-F250 HydrophobicContact CG-CE2 4.05Å; P30-F250 HydrophobicContact CG-CZ 4.1Å; E248-F250 PolarHBondContact O-N 3.35Å; F250-S252 VanDerWaalsContact C-N 3.3Å
251	L	29.2	Very low	29.9	Very low	103 Å²	103	92.2 Å²	92.2	54%	0.539	58%	0.577	S	S	.	*	H	α-helix	trans	-74.1	-19.4	176.6	-76.3	164.2	0	0	0	113	G247 E248 L253	G247-L251 VanDerWaalsContact O-CD1 3.31Å; G247-L251 WeakPolarHBondContact O-CD1 3.06Å; G247-L251 WeakPolarHBondContact O-CG 3.5Å; E248-L251 PolarHBondContact O-N 3.3Å; L251-L253 PolarHBondContact O-N 3.41Å
252	S	28.2	Very low	30.3	Very low	63 Å²	63	85 Å²	85	44%	0.441	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	17.3	179	-175.5	0	0	0	0	113.9	K34 E248 F250 S254	K34-S252 VanDerWaalsContact CE-O 3.25Å; K34-S252 WeakPolarHBondContact CE-O 3.39Å; K34-S252 PolarHBondContact NZ-O 2.91Å; K34-S252 PolarHBondContact NZ-OG 3.23Å; E248-S252 PolarHBondContact O-N 3.02Å; F250-S252 VanDerWaalsContact C-N 3.3Å; S252-S254 PolarHBondContact O-N 3.16Å
253	L	31.1	Very low	30.2	Very low	73 Å²	73	80.8 Å²	80.8	38%	0.382	53%	0.53	S	S	.	.	S	Bend	trans	-64.7	106.1	159.6	-75.7	161.9	0	0	0	106.7	Q40 L251	Q40-L253 VanDerWaalsContact CD-CD2 3.47Å; Q40-L253 HydrophobicContact CG-CD2 4.41Å; L251-L253 PolarHBondContact O-N 3.41Å
254	S	26.1	Very low	30.2	Very low	89 Å²	89	81.7 Å²	81.7	62%	0.622	53%	0.531	S	S	*	.			trans	-54.6	151.1	-177.9	82	0	0	0	0	110.2	S252 T256	S252-S254 PolarHBondContact O-N 3.16Å; S254-T256 PolarHBondContact O-N 2.78Å
255	P	30	Very low	30.7	Very low	112 Å²	112	78.4 Å²	78.4	73%	0.727	49%	0.493	S	S	*	.			trans	-69.8	79.9	-178.1	30.8	-33.3	0	0	0	108.6	A257	P255-A257 PolarHBondContact O-N 2.74Å
256	T	26.8	Very low	30.8	Very low	96 Å²	96	75.6 Å²	75.6	59%	0.589	46%	0.462	S	S	*	.			trans	-54.9	131.7	151.2	15.6	0	0	0	0	105.2	S254 V258	S254-T256 PolarHBondContact O-N 2.78Å; T256-V258 WeakPolarHBondContact O-CB 3.44Å; T256-V258 PolarHBondContact O-N 3.4Å
257	A	29.2	Very low	30.8	Very low	105 Å²	105	76.5 Å²	76.5	87%	0.868	47%	0.473	S	S	*	.	S	Bend	trans	-58.4	53.5	-170.3	0	0	0	0	0	114.9	P255	P255-A257 PolarHBondContact O-N 2.74Å
258	V	33.3	Very low	30.9	Very low	55 Å²	55	77.9 Å²	77.9	33%	0.333	47%	0.469	S	S	.	.			trans	-118.5	-3.7	-167.8	177.8	0	0	0	0	109.6	L226 T256	L226-V258 HydrophobicContact CB-CG1 4.37Å; L226-V258 HydrophobicContact CD2-CG1 4Å; T256-V258 WeakPolarHBondContact O-CB 3.44Å; T256-V258 PolarHBondContact O-N 3.4Å
259	L	31	Very low	31.2	Very low	77 Å²	77	70.4 Å²	70.4	40%	0.403	43%	0.434	S	S	.	.	S	Bend	trans	-126.5	4.9	-158.5	-89.2	162.3	0	0	0	117.2	C227	C227-L259 HydrophobicContact CB-CD1 3.92Å; C227-L259 HydrophobicContact CB-CD2 3.51Å; C227-L259 HydrophobicContact CB-CG 4.24Å
260	A	25.8	Very low	31.2	Very low	85 Å²	85	72.4 Å²	72.4	70%	0.702	44%	0.444	S	S	*	.	S	Bend	trans	-113.1	-9.1	-176.8	0	0	0	0	0	115.2
261	G	31.2	Very low	31.3	Very low	31 Å²	31	68.6 Å²	68.6	32%	0.32	43%	0.428	S	S	.	.	H	α-helix	trans	-84.4	-33.7	-167.2	0	0	0	0	0	115.8	D263 L264 N265	G261-D263 PolarHBondContact O-N 2.96Å; G261-L264 PolarHBondContact O-N 3.47Å; G261-N265 WeakPolarHBondContact O-CB 3.49Å; G261-N265 PolarHBondContact O-N 3.3Å; G261-N265 PolarHBondContact O-ND2 2.93Å; G261-N265 VanDerWaalsContact O-ND2 3.13Å; G261-N265 PolarHBondContact O-OD1 2.88Å
262	S	36.4	Very low	31.5	Very low	27 Å²	27	64.8 Å²	64.8	19%	0.189	42%	0.415	C	S	.	.	H	α-helix	trans	-68.4	-35.8	-167.4	20.4	0	0	0	0	114.1	Q224	Q224-S262 WeakPolarHBondContact O-CB 3.25Å; Q224-S262 PolarHBondContact O-OG 2.9Å
263	D	31.8	Very low	31.8	Very low	96 Å²	96	69 Å²	69	51%	0.513	43%	0.425	S	S	.	.	H	α-helix	trans	-76.9	-31.5	176.5	-72.9	-20.8	0	0	0	111.9	G261	G261-D263 PolarHBondContact O-N 2.96Å
264	L	29.8	Very low	32.1	Very low	121 Å²	121	65.7 Å²	65.7	63%	0.634	41%	0.407	S	S	*	.	H	α-helix	trans	-74.2	-32.9	177.1	-145.9	81.7	0	0	0	112	G261 C266 A267	G261-L264 PolarHBondContact O-N 3.47Å; L264-C266 PolarHBondContact O-N 3.3Å; L264-A267 WeakPolarHBondContact O-CB 3.42Å; L264-A267 PolarHBondContact O-N 3.13Å
265	N	39.2	Very low	32.8	Very low	20 Å²	20	65.7 Å²	65.7	11%	0.107	39%	0.394	C	S	.	.	H	α-helix	trans	-73.7	-26.3	-172.3	-76.5	-10	0	0	0	114	L199 V202 G261 A267 L268	L199-N265 WeakPolarHBondContact CD1-ND2 3.35Å; V202-N265 HydrophobicContact CB-CB 4.23Å; V202-N265 HydrophobicContact CG1-CB 3.96Å; V202-N265 HydrophobicContact CG2-CB 3.82Å; G261-N265 WeakPolarHBondContact O-CB 3.49Å; G261-N265 PolarHBondContact O-N 3.3Å; G261-N265 PolarHBondContact O-ND2 2.93Å; G261-N265 VanDerWaalsContact O-ND2 3.13Å; G261-N265 PolarHBondContact O-OD1 2.88Å; N265-A267 PolarHBondContact O-N 3.39Å; N265-L268 PolarHBondContact O-N 3.43Å
266	C	34.8	Very low	33.2	Very low	8 Å²	8	60.5 Å²	60.5	5%	0.054	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-22.5	174.3	-70.8	0	0	0	0	113.4	L264 L268 S299	L264-C266 PolarHBondContact O-N 3.3Å; C266-L268 VanDerWaalsContact C-N 3.34Å; C266-S299 PolarHBondContact O-OG 3.21Å
267	A	28	Very low	34.1	Very low	60 Å²	60	56 Å²	56	50%	0.496	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-21	176.5	0	0	0	0	0	112.6	L264 N265 S301	L264-A267 WeakPolarHBondContact O-CB 3.42Å; L264-A267 PolarHBondContact O-N 3.13Å; N265-A267 PolarHBondContact O-N 3.39Å; A267-S301 PolarHBondContact O-OG 2.62Å
268	L	31.9	Very low	34.8	Very low	73 Å²	73	51 Å²	51	38%	0.382	29%	0.291	S	S	.	.			trans	-96.6	5.1	-169.8	-70.5	163.6	0	0	0	114.8	V202 N265 C266 H270	V202-L268 HydrophobicContact CG1-CB 4.21Å; N265-L268 PolarHBondContact O-N 3.43Å; C266-L268 VanDerWaalsContact C-N 3.34Å; L268-H270 PolarHBondContact O-N 2.91Å; L268-H270 VanDerWaalsContact O-N 3.1Å
269	M	38.7	Very low	35.4	Very low	3 Å²	3	48.3 Å²	48.3	2%	0.015	28%	0.275	C	S	.	.			trans	-82.7	83.7	-176.6	-67.8	-158.7	-95	0	0	112.3	L198 V202 L205 S301 L302	L198-M269 HydrophobicContact CD1-CE 4.11Å; L198-M269 HydrophobicContact CD1-SD 4.48Å; V202-M269 HydrophobicContact CG2-CG 4.06Å; L205-M269 HydrophobicContact CD1-CB 3.83Å; L205-M269 HydrophobicContact CD1-CG 3.59Å; L205-M269 HydrophobicContact CD1-SD 3.93Å; M269-S301 CarbonylContact O-C 3.45Å; M269-S301 WeakPolarHBondContact O-CB 3.1Å; M269-S301 VanDerWaalsContact O-O 3.14Å; M269-L302 HydrophobicContact CB-CD2 4.26Å; M269-L302 HydrophobicContact CE-CD1 3.9Å; M269-L302 HydrophobicContact CE-CD2 4.41Å
270	H	32.2	Very low	36.3	Very low	135 Å²	135	44.9 Å²	44.9	63%	0.625	26%	0.257	S	S	*	.			trans	-100.1	5.9	-174.6	-145.5	78.1	0	0	0	116.2	L268	L268-H270 PolarHBondContact O-N 2.91Å; L268-H270 VanDerWaalsContact O-N 3.1Å
271	S	32.9	Very low	37	Very low	8 Å²	8	41.4 Å²	41.4	6%	0.056	23%	0.226	C	C	.	.	S	Bend	trans	-104.6	145.5	-176.1	122.8	0	0	0	0	115	L205 T274	L205-S271 VanDerWaalsContact CD2-CB 3.44Å; L205-S271 WeakPolarHBondContact CD2-OG 3.44Å; S271-T274 PolarHBondContact O-OG1 3.36Å
272	G	32.8	Very low	37.2	Very low	24 Å²	24	44.6 Å²	44.6	25%	0.247	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	155.5	-165.6	0	0	0	0	0	117.8	P213 T274	P213-G272 CarbonylContact O-C 3.25Å; P213-G272 WeakPolarHBondContact O-CA 3.4Å; G272-T274 PolarHBondContact O-N 2.84Å
273	K	34.3	Very low	37.2	Very low	152 Å²	152	52.6 Å²	52.6	66%	0.661	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.7	30.9	176.5	-68.1	-179.7	-173.7	161.8	0	115.7	S215 R275 H305	S215-K273 CarbonylContact O-C 3.17Å; K273-R275 PolarHBondContact O-N 3.5Å; K273-H305 PolarHBondContact N-CD2 3.28Å; K273-H305 PolarHBondContact N-NE2 3.33Å
274	T	38.8	Very low	37.4	Very low	2 Å²	2	56.8 Å²	56.8	1%	0.012	28%	0.277	C	S	.	.			trans	-72	98.7	172.5	-56.3	0	0	0	0	110.5	S215 V217 S271 G272 H305	S215-T274 WeakPolarHBondContact O-CA 3.34Å; S215-T274 PolarHBondContact O-OG1 3.43Å; V217-T274 HydrophobicContact CB-CG2 3.97Å; V217-T274 HydrophobicContact CG2-CG2 3.9Å; S271-T274 PolarHBondContact O-OG1 3.36Å; G272-T274 PolarHBondContact O-N 2.84Å; T274-H305 PolarHBondContact N-CD2 3.21Å; T274-H305 WeakPolarHBondContact O-CB 3.4Å
275	R	38.9	Very low	37.9	Very low	89 Å²	89	53.4 Å²	53.4	34%	0.336	26%	0.258	S	S	.	.			trans	-82.4	131.3	167.8	-59.4	-174.2	178.6	170.1	2.8	108.5	V217 K273 K306 F336	V217-R275 CarbonylContact C-O 3.45Å; V217-R275 VanDerWaalsContact C-O 3.25Å; V217-R275 PolarHBondContact N-O 2.75Å; V217-R275 VanDerWaalsContact N-O 3.13Å; V217-R275 CarbonylContact O-C 3.56Å; K273-R275 PolarHBondContact O-N 3.5Å; R275-K306 WeakPolarHBondContact CA-O 3.39Å; R275-K306 HydrophobicContact CG-CB 4.24Å; R275-F336 HydrophobicContact CB-CE1 3.92Å; R275-F336 HydrophobicContact CB-CE2 3.63Å; R275-F336 HydrophobicContact CB-CZ 3.3Å; R275-F336 VanDerWaalsContact CD-O 3.31Å; R275-F336 WeakPolarHBondContact CD-O 3.31Å; R275-F336 PolarHBondContact NH1-O 3.01Å; R275-F336 WeakPolarHBondContact O-CZ 3.34Å
276	L	39.9	Very low	38.3	Very low	4 Å²	4	56.6 Å²	56.6	2%	0.021	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	117.9	179.3	-174.3	67.2	0	0	0	111.2	V217 L219 I278 A296 K306 V307 Q308	V217-L276 HydrophobicContact CG1-CD1 4.43Å; V217-L276 WeakPolarHBondContact O-CA 3.29Å; V217-L276 WeakPolarHBondContact O-CD1 3.4Å; L219-L276 HydrophobicContact CB-CD1 4.09Å; L219-L276 HydrophobicContact CD1-CD1 3.32Å; L219-L276 HydrophobicContact CD1-CG 4.47Å; L219-L276 HydrophobicContact CG-CD1 3.57Å; L276-I278 HydrophobicContact CD2-CD1 4.33Å; L276-I278 HydrophobicContact CG-CG1 4.43Å; L276-A296 HydrophobicContact CD2-CB 4.13Å; L276-K306 PolarHBondContact N-O 2.92Å; L276-V307 HydrophobicContact CB-CG1 4.28Å; L276-V307 HydrophobicContact CB-CG2 4.43Å; L276-V307 HydrophobicContact CD2-CG1 4.42Å; L276-V307 CarbonylContact O-C 3.54Å; L276-V307 WeakPolarHBondContact O-CA 3.25Å; L276-Q308 PolarHBondContact O-N 3.33Å
277	Q	44.4	Very low	38.9	Very low	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128	173.5	-165.6	162.9	38.1	0	0	111	K218 L219 F279 Q308 V310 F336	K218-Q277 HydrophobicContact CG-CB 4.22Å; L219-Q277 CarbonylContact C-O 3.6Å; L219-Q277 VanDerWaalsContact C-O 3.22Å; L219-Q277 WeakPolarHBondContact CA-O 3.18Å; L219-Q277 PolarHBondContact N-O 3.3Å; Q277-F279 HydrophobicContact CG-CE2 4.02Å; Q277-F279 HydrophobicContact CG-CZ 4.03Å; Q277-Q308 VanDerWaalsContact CA-O 3.28Å; Q277-Q308 WeakPolarHBondContact CA-O 3.27Å; Q277-V310 HydrophobicContact CG-CG2 4.45Å; Q277-F336 HydrophobicContact CB-CD1 4.4Å; Q277-F336 HydrophobicContact CB-CD2 3.86Å; Q277-F336 HydrophobicContact CB-CE1 4.09Å; Q277-F336 HydrophobicContact CB-CE2 3.55Å; Q277-F336 HydrophobicContact CB-CG 4.25Å; Q277-F336 HydrophobicContact CB-CZ 3.62Å; Q277-F336 HydrophobicContact CG-CD2 4.34Å; Q277-F336 HydrophobicContact CG-CE2 4.43Å
278	I	45.3	Very low	39.9	Very low	0 Å²	0	64.6 Å²	64.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	120.3	179.1	-60	164.3	0	0	0	109.5	L219 T222 L276 L292 Q308 F309 V310	L219-I278 VanDerWaalsContact O-CA 3.3Å; L219-I278 WeakPolarHBondContact O-CA 3.26Å; T222-I278 HydrophobicContact CG2-CG2 4.49Å; L276-I278 HydrophobicContact CD2-CD1 4.33Å; L276-I278 HydrophobicContact CG-CG1 4.43Å; I278-L292 HydrophobicContact CD1-CB 4.35Å; I278-L292 HydrophobicContact CD1-CD2 3.74Å; I278-L292 HydrophobicContact CD1-CG 3.85Å; I278-L292 HydrophobicContact CG1-CD2 4.43Å; I278-Q308 PolarHBondContact N-O 2.71Å; I278-Q308 VanDerWaalsContact N-O 3.09Å; I278-F309 HydrophobicContact CB-CD2 3.99Å; I278-F309 HydrophobicContact CG2-CD2 3.97Å; I278-F309 HydrophobicContact CG2-CE2 4.07Å; I278-V310 PolarHBondContact O-N 2.87Å
279	F	44.7	Very low	40.6	Very low	0 Å²	0	61.1 Å²	61.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	129.5	173.6	-66.3	-75.7	0	0	0	111.5	W188 L219 R221 Q277 V310 F312 I323 L329 I332 L333	W188-F279 HydrophobicContact CH2-CD2 4.23Å; W188-F279 AromaticContact CH2-CE2 3.68Å; W188-F279 HydrophobicContact CH2-CE2 3.68Å; W188-F279 HydrophobicContact CH2-CZ 4.43Å; W188-F279 HydrophobicContact CZ2-CD2 4.34Å; W188-F279 HydrophobicContact CZ2-CE2 4.24Å; W188-F279 HydrophobicContact CZ3-CE2 4.3Å; L219-F279 PolarHBondContact O-N 3.07Å; R221-F279 WeakPolarHBondContact CA-O 3.15Å; R221-F279 WeakPolarHBondContact CG-O 3.44Å; R221-F279 PolarHBondContact N-O 2.92Å; Q277-F279 HydrophobicContact CG-CE2 4.02Å; Q277-F279 HydrophobicContact CG-CZ 4.03Å; F279-V310 HydrophobicContact CD1-CB 4.02Å; F279-V310 HydrophobicContact CD1-CG1 4.33Å; F279-V310 HydrophobicContact CE1-CB 4.07Å; F279-V310 HydrophobicContact CE1-CG1 4.28Å; F279-F312 HydrophobicContact CD1-CD2 4.19Å; F279-F312 AromaticContact CD1-CE2 3.38Å; F279-F312 HydrophobicContact CD1-CE2 3.38Å; F279-F312 HydrophobicContact CD1-CZ 4.12Å; F279-F312 AromaticContact CE1-CE2 3.78Å; F279-F312 HydrophobicContact CE1-CE2 3.78Å; F279-F312 HydrophobicContact CE1-CZ 4.05Å; F279-F312 HydrophobicContact CG-CE2 4.38Å; F279-I323 HydrophobicContact CB-CD1 4.33Å; F279-L329 HydrophobicContact CE1-CD1 3.91Å; F279-L329 HydrophobicContact CE2-CD1 4.44Å; F279-L329 HydrophobicContact CZ-CD1 3.76Å; F279-I332 HydrophobicContact CE1-CG2 3.91Å; F279-I332 HydrophobicContact CZ-CG2 3.96Å; F279-L333 HydrophobicContact CZ-CD2 4.33Å
280	Q	49.4	Very low	41.3	Very low	4 Å²	4	62.9 Å²	62.9	2%	0.019	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	154.9	174.6	-157.5	151	15	0	0	114.4	Q285 F309 V310 F312	Q280-Q285 HydrophobicContact CG-CB 4.25Å; Q280-Q285 PolarHBondContact NE2-O 2.85Å; Q280-Q285 VanDerWaalsContact NE2-O 3.07Å; Q280-Q285 VanDerWaalsContact NE2-OE1 3.17Å; Q280-Q285 PolarHBondContact OE1-O 3.19Å; Q280-F309 HydrophobicContact CB-CE2 4.37Å; Q280-V310 PolarHBondContact N-O 3.23Å; Q280-F312 PolarHBondContact O-N 2.85Å
281	Q	41.5	Very low	42.4	Very low	12 Å²	12	62.3 Å²	62.3	6%	0.056	29%	0.287	C	S	.	.			trans	-141.8	150.3	170.2	-68.7	-147.5	-32.5	0	0	111.6	F312 P313	Q281-F312 VanDerWaalsContact CD-O 3.32Å; Q281-F312 HydrophobicContact CG-CB 3.66Å; Q281-F312 VanDerWaalsContact CG-O 3.22Å; Q281-F312 WeakPolarHBondContact CG-O 3.44Å; Q281-F312 PolarHBondContact NE2-O 3.44Å; Q281-P313 PolarHBondContact NE2-O 2.91Å
282	N	36.3	Very low	43.5	Very low	99 Å²	99	62.1 Å²	62.1	53%	0.529	29%	0.286	S	S	.	.	S	Bend	trans	97.4	131.6	-178	-72.9	-11.1	0	0	0	115.5	K284 Q285 E286	N282-K284 PolarHBondContact O-N 3.28Å; N282-Q285 HydrophobicContact CB-CB 4.4Å; N282-Q285 CarbonylContact O-C 3.58Å; N282-Q285 WeakPolarHBondContact O-CA 3.44Å; N282-Q285 PolarHBondContact O-N 3.46Å; N282-E286 WeakPolarHBondContact O-CB 3.48Å; N282-E286 PolarHBondContact O-N 2.83Å
283	Y	35.4	Very low	44.7	Very low	194 Å²	194	64.9 Å²	64.9	76%	0.761	29%	0.289	S	S	*	.	H	α-helix	trans	-52.8	-40.5	-176.7	-157.1	-101.3	0	0	0	114.6	Q285	Y283-Q285 VanDerWaalsContact C-N 3.35Å; Y283-Q285 PolarHBondContact O-N 3.35Å
284	K	36.8	Very low	45.8	Very low	184 Å²	184	59.3 Å²	59.3	80%	0.8	27%	0.269	S	S	*	.	H	α-helix	trans	-73	-23	175.1	-75.5	-173	178.3	-178.7	0	113.8	N282	N282-K284 PolarHBondContact O-N 3.28Å
285	Q	40.7	Very low	46.8	Very low	51 Å²	51	62.5 Å²	62.5	24%	0.238	29%	0.286	C	S	.	.	H	α-helix	trans	-97.7	-23.3	179.3	-80.8	-146.8	9.5	0	0	112.9	Q280 N282 Y283 Q287 R288 G289	Q280-Q285 HydrophobicContact CG-CB 4.25Å; Q280-Q285 PolarHBondContact NE2-O 2.85Å; Q280-Q285 VanDerWaalsContact NE2-O 3.07Å; Q280-Q285 VanDerWaalsContact NE2-OE1 3.17Å; Q280-Q285 PolarHBondContact OE1-O 3.19Å; N282-Q285 HydrophobicContact CB-CB 4.4Å; N282-Q285 CarbonylContact O-C 3.58Å; N282-Q285 WeakPolarHBondContact O-CA 3.44Å; N282-Q285 PolarHBondContact O-N 3.46Å; Y283-Q285 VanDerWaalsContact C-N 3.35Å; Y283-Q285 PolarHBondContact O-N 3.35Å; Q285-Q287 VanDerWaalsContact C-N 3.26Å; Q285-Q287 PolarHBondContact O-N 3.35Å; Q285-R288 WeakPolarHBondContact O-CB 3.33Å; Q285-R288 PolarHBondContact O-N 2.72Å; Q285-G289 PolarHBondContact O-N 3.3Å
286	E	45.9	Very low	47.6	Very low	86 Å²	86	58.2 Å²	58.2	40%	0.402	27%	0.27	S	S	.	.	H	α-helix	trans	-57	-39.5	174.8	-170.7	170.6	-180	0	0	111.5	N282 R288 G289 A290	N282-E286 WeakPolarHBondContact O-CB 3.48Å; N282-E286 PolarHBondContact O-N 2.83Å; E286-R288 PolarHBondContact O-N 3.25Å; E286-G289 PolarHBondContact O-N 3.26Å; E286-A290 WeakPolarHBondContact O-CB 3.37Å; E286-A290 PolarHBondContact O-N 3.05Å
287	Q	47.2	Very low	48.5	Very low	148 Å²	148	61.3 Å²	61.3	69%	0.692	29%	0.291	S	S	*	.	H	α-helix	trans	-58	-30	172.2	-68.5	-172.1	-12.7	0	0	113.4	Q285 K291	Q285-Q287 VanDerWaalsContact C-N 3.26Å; Q285-Q287 PolarHBondContact O-N 3.35Å; Q287-K291 WeakPolarHBondContact O-CB 3.5Å; Q287-K291 PolarHBondContact O-N 3.21Å; Q287-K291 VanDerWaalsContact O-N 3.08Å
288	R	49.3	Very low	49.3	Very low	88 Å²	88	71.1 Å²	71.1	33%	0.332	33%	0.328	S	S	.	.	H	α-helix	trans	-80.8	-45.7	-178	-60.5	-176.8	-174.7	168.5	1.8	111.9	S228 Q285 E286 K291 L292	S228-R288 PolarHBondContact OG-NH1 3.28Å; Q285-R288 WeakPolarHBondContact O-CB 3.33Å; Q285-R288 PolarHBondContact O-N 2.72Å; E286-R288 PolarHBondContact O-N 3.25Å; R288-K291 PolarHBondContact O-N 3.47Å; R288-L292 PolarHBondContact O-N 2.92Å
289	G	48	Very low	49.8	Very low	0 Å²	0	71.9 Å²	71.9	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-65.8	-40.9	175.4	0	0	0	0	0	112.4	Q285 E286 K291 L292 Y293	Q285-G289 PolarHBondContact O-N 3.3Å; E286-G289 PolarHBondContact O-N 3.26Å; G289-K291 VanDerWaalsContact C-N 3.31Å; G289-K291 PolarHBondContact O-N 3.08Å; G289-L292 PolarHBondContact O-N 3.27Å; G289-Y293 VanDerWaalsContact O-CB 3.3Å; G289-Y293 WeakPolarHBondContact O-CB 3.03Å; G289-Y293 PolarHBondContact O-N 3.32Å
290	A	53.4	Low	50.2	Low	41 Å²	41	76.8 Å²	76.8	34%	0.339	37%	0.368	S	S	.	.	H	α-helix	trans	-64.1	-36.4	173.8	0	0	0	0	0	111.9	E286 S294	E286-A290 WeakPolarHBondContact O-CB 3.37Å; E286-A290 PolarHBondContact O-N 3.05Å; A290-S294 WeakPolarHBondContact O-CB 3.24Å; A290-S294 PolarHBondContact O-N 3.27Å; A290-S294 PolarHBondContact O-OG 2.95Å
291	K	55.2	Low	50	Low	123 Å²	123	77.5 Å²	77.5	54%	0.535	37%	0.374	S	S	.	.	H	α-helix	trans	-68	-42.7	174	-171.6	177.6	-177	-173.5	0	112.4	Q287 R288 G289 S294 L295	Q287-K291 WeakPolarHBondContact O-CB 3.5Å; Q287-K291 PolarHBondContact O-N 3.21Å; Q287-K291 VanDerWaalsContact O-N 3.08Å; R288-K291 PolarHBondContact O-N 3.47Å; G289-K291 VanDerWaalsContact C-N 3.31Å; G289-K291 PolarHBondContact O-N 3.08Å; K291-S294 WeakPolarHBondContact CA-OG 3.17Å; K291-S294 PolarHBondContact O-N 2.91Å; K291-S294 PolarHBondContact O-OG 3.27Å; K291-L295 HydrophobicContact CG-CD1 4.34Å; K291-L295 WeakPolarHBondContact O-CB 3.33Å; K291-L295 VanDerWaalsContact O-CG 3.28Å; K291-L295 WeakPolarHBondContact O-CG 3.22Å; K291-L295 PolarHBondContact O-N 3.45Å
292	L	55	Low	50.5	Low	3 Å²	3	77.3 Å²	77.3	2%	0.016	37%	0.373	C	S	.	.	H	α-helix	trans	-65.9	-41.9	174.9	178.9	65.3	0	0	0	111.4	T222 Q224 I278 R288 G289 S294 L295 A296	T222-L292 HydrophobicContact CG2-CD2 3.36Å; T222-L292 WeakPolarHBondContact OG1-CD2 3.34Å; Q224-L292 HydrophobicContact CG-CD1 4.41Å; I278-L292 HydrophobicContact CD1-CB 4.35Å; I278-L292 HydrophobicContact CD1-CD2 3.74Å; I278-L292 HydrophobicContact CD1-CG 3.85Å; I278-L292 HydrophobicContact CG1-CD2 4.43Å; R288-L292 PolarHBondContact O-N 2.92Å; G289-L292 PolarHBondContact O-N 3.27Å; L292-S294 VanDerWaalsContact C-N 3.33Å; L292-S294 PolarHBondContact O-N 3.35Å; L292-L295 PolarHBondContact O-N 2.87Å; L292-A296 VanDerWaalsContact O-CB 3.27Å; L292-A296 WeakPolarHBondContact O-CB 3.46Å; L292-A296 PolarHBondContact O-N 2.94Å
293	Y	57.8	Low	50.8	Low	83 Å²	83	77.4 Å²	77.4	33%	0.325	38%	0.381	S	S	.	.	H	α-helix	trans	-60.5	-43.7	174.6	175.3	-102	0	0	0	111.2	G289 L295 A296 S297 V307 F309	G289-Y293 VanDerWaalsContact O-CB 3.3Å; G289-Y293 WeakPolarHBondContact O-CB 3.03Å; G289-Y293 PolarHBondContact O-N 3.32Å; Y293-L295 PolarHBondContact O-N 2.92Å; Y293-A296 PolarHBondContact O-N 3.32Å; Y293-S297 VanDerWaalsContact O-CB 3.31Å; Y293-S297 WeakPolarHBondContact O-CB 3.13Å; Y293-S297 PolarHBondContact O-N 3.15Å; Y293-S297 PolarHBondContact O-OG 3.46Å; Y293-V307 HydrophobicContact CD2-CG1 3.66Å; Y293-V307 HydrophobicContact CE2-CB 4.26Å; Y293-V307 HydrophobicContact CE2-CG1 3.68Å; Y293-F309 HydrophobicContact CD1-CB 4.32Å; Y293-F309 HydrophobicContact CD2-CB 3.59Å; Y293-F309 HydrophobicContact CE2-CB 3.97Å; Y293-F309 HydrophobicContact CG-CB 3.77Å; Y293-F309 HydrophobicContact CG-CG 4.41Å
294	S	57.3	Low	51.3	Low	34 Å²	34	72.2 Å²	72.2	24%	0.238	39%	0.387	C	S	.	.	H	α-helix	trans	-68.7	-33.3	178.7	71	0	0	0	0	113.1	A290 K291 L292 S297 R298	A290-S294 WeakPolarHBondContact O-CB 3.24Å; A290-S294 PolarHBondContact O-N 3.27Å; A290-S294 PolarHBondContact O-OG 2.95Å; K291-S294 WeakPolarHBondContact CA-OG 3.17Å; K291-S294 PolarHBondContact O-N 2.91Å; K291-S294 PolarHBondContact O-OG 3.27Å; L292-S294 VanDerWaalsContact C-N 3.33Å; L292-S294 PolarHBondContact O-N 3.35Å; S294-S297 WeakPolarHBondContact CA-OG 3.32Å; S294-S297 PolarHBondContact O-OG 2.71Å; S294-S297 VanDerWaalsContact O-OG 3.12Å; S294-R298 VanDerWaalsContact O-CB 3.26Å; S294-R298 WeakPolarHBondContact O-CB 3.32Å; S294-R298 VanDerWaalsContact O-CD 3.32Å; S294-R298 WeakPolarHBondContact O-CD 3.28Å; S294-R298 WeakPolarHBondContact O-CG 3.44Å; S294-R298 PolarHBondContact O-N 3.27Å; S294-R298 VanDerWaalsContact O-N 3.16Å
295	L	60.1	Low	52.2	Low	69 Å²	69	65.9 Å²	65.9	36%	0.361	36%	0.36	S	S	.	.	H	α-helix	trans	-67.7	-44.5	170.6	-72.9	169.7	0	0	0	111.3	K291 L292 Y293 R298 S299	K291-L295 HydrophobicContact CG-CD1 4.34Å; K291-L295 WeakPolarHBondContact O-CB 3.33Å; K291-L295 VanDerWaalsContact O-CG 3.28Å; K291-L295 WeakPolarHBondContact O-CG 3.22Å; K291-L295 PolarHBondContact O-N 3.45Å; L292-L295 PolarHBondContact O-N 2.87Å; Y293-L295 PolarHBondContact O-N 2.92Å; L295-R298 PolarHBondContact O-N 2.78Å; L295-S299 PolarHBondContact O-N 3.16Å
296	A	55.3	Low	52.6	Low	0 Å²	0	68.2 Å²	68.2	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-65	-41.9	178.1	0	0	0	0	0	112	L276 L292 Y293 R298 S299 L302 V307	L276-A296 HydrophobicContact CD2-CB 4.13Å; L292-A296 VanDerWaalsContact O-CB 3.27Å; L292-A296 WeakPolarHBondContact O-CB 3.46Å; L292-A296 PolarHBondContact O-N 2.94Å; Y293-A296 PolarHBondContact O-N 3.32Å; A296-R298 VanDerWaalsContact C-N 3.28Å; A296-R298 PolarHBondContact O-N 3.34Å; A296-S299 WeakPolarHBondContact O-CB 3.46Å; A296-S299 PolarHBondContact O-N 3.47Å; A296-L302 HydrophobicContact CB-CD1 3.8Å; A296-L302 WeakPolarHBondContact O-CD1 3.26Å; A296-V307 HydrophobicContact CB-CG1 4.35Å
297	S	59.7	Low	53	Low	68 Å²	68	65.3 Å²	65.3	48%	0.476	36%	0.357	S	S	.	.	H	α-helix	trans	-70.8	-23.7	178.7	70.2	0	0	0	0	113.2	Y293 S294	Y293-S297 VanDerWaalsContact O-CB 3.31Å; Y293-S297 WeakPolarHBondContact O-CB 3.13Å; Y293-S297 PolarHBondContact O-N 3.15Å; Y293-S297 PolarHBondContact O-OG 3.46Å; S294-S297 WeakPolarHBondContact CA-OG 3.32Å; S294-S297 PolarHBondContact O-OG 2.71Å; S294-S297 VanDerWaalsContact O-OG 3.12Å
298	R	61.1	Low	53.5	Low	206 Å²	206	61 Å²	61	78%	0.777	34%	0.337	S	S	*	.	H	α-helix	trans	-92.1	-11	176.3	-70.9	173.6	-176.4	-175.6	0.6	112.9	S294 L295 A296 S300	S294-R298 VanDerWaalsContact O-CB 3.26Å; S294-R298 WeakPolarHBondContact O-CB 3.32Å; S294-R298 VanDerWaalsContact O-CD 3.32Å; S294-R298 WeakPolarHBondContact O-CD 3.28Å; S294-R298 WeakPolarHBondContact O-CG 3.44Å; S294-R298 PolarHBondContact O-N 3.27Å; S294-R298 VanDerWaalsContact O-N 3.16Å; L295-R298 PolarHBondContact O-N 2.78Å; A296-R298 VanDerWaalsContact C-N 3.28Å; A296-R298 PolarHBondContact O-N 3.34Å; R298-S300 PolarHBondContact O-N 2.75Å
299	S	54.5	Low	53.8	Low	17 Å²	17	59.3 Å²	59.3	12%	0.119	33%	0.332	C	S	.	.			trans	-71.4	121.8	178.8	-171.3	0	0	0	0	109.5	C266 L295 A296 S301 L302 S303	C266-S299 PolarHBondContact O-OG 3.21Å; L295-S299 PolarHBondContact O-N 3.16Å; A296-S299 WeakPolarHBondContact O-CB 3.46Å; A296-S299 PolarHBondContact O-N 3.47Å; S299-S301 PolarHBondContact O-N 2.87Å; S299-L302 PolarHBondContact O-N 3.45Å; S299-L302 VanDerWaalsContact O-N 3.11Å; S299-S303 PolarHBondContact O-N 2.86Å
300	S	53.1	Low	54.3	Low	102 Å²	102	60.3 Å²	60.3	71%	0.713	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-58.1	-31.1	176.9	47.2	0	0	0	0	112.1	R298 L302 S303	R298-S300 PolarHBondContact O-N 2.75Å; S300-L302 VanDerWaalsContact C-N 3.26Å; S300-L302 PolarHBondContact O-N 3.28Å; S300-S303 VanDerWaalsContact O-CB 3.26Å; S300-S303 WeakPolarHBondContact O-CB 3.26Å; S300-S303 PolarHBondContact O-N 3.27Å
301	S	46.9	Very low	54.4	Low	20 Å²	20	60.5 Å²	60.5	14%	0.14	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-69.4	-21.1	179.9	-40.8	0	0	0	0	113.4	A267 M269 S299	A267-S301 PolarHBondContact O-OG 2.62Å; M269-S301 CarbonylContact O-C 3.45Å; M269-S301 WeakPolarHBondContact O-CB 3.1Å; M269-S301 VanDerWaalsContact O-O 3.14Å; S299-S301 PolarHBondContact O-N 2.87Å
302	L	50.4	Low	54.5	Low	8 Å²	8	55.1 Å²	55.1	4%	0.042	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-103.2	3.1	175.6	-67.1	173	0	0	0	113.3	M269 A296 S299 S300 G304 H305	M269-L302 HydrophobicContact CB-CD2 4.26Å; M269-L302 HydrophobicContact CE-CD1 3.9Å; M269-L302 HydrophobicContact CE-CD2 4.41Å; A296-L302 HydrophobicContact CB-CD1 3.8Å; A296-L302 WeakPolarHBondContact O-CD1 3.26Å; S299-L302 PolarHBondContact O-N 3.45Å; S299-L302 VanDerWaalsContact O-N 3.11Å; S300-L302 VanDerWaalsContact C-N 3.26Å; S300-L302 PolarHBondContact O-N 3.28Å; L302-G304 PolarHBondContact O-N 3.46Å; L302-H305 WeakPolarHBondContact O-CB 3.28Å; L302-H305 PolarHBondContact O-N 3.39Å
303	S	42.7	Very low	54.5	Low	100 Å²	100	58.6 Å²	58.6	70%	0.699	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	119.6	176.8	-168.1	0	0	0	0	110	S299 S300	S299-S303 PolarHBondContact O-N 2.86Å; S300-S303 VanDerWaalsContact O-CB 3.26Å; S300-S303 WeakPolarHBondContact O-CB 3.26Å; S300-S303 PolarHBondContact O-N 3.27Å
304	G	46.1	Very low	54.3	Low	85 Å²	85	57.9 Å²	57.9	88%	0.876	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.7	-2.9	-174.2	0	0	0	0	0	115.5	L302	L302-G304 PolarHBondContact O-N 3.46Å
305	H	56.3	Low	54	Low	51 Å²	51	60.9 Å²	60.9	24%	0.236	38%	0.378	C	S	.	.	S	Bend	trans	-103.1	144.2	178.2	-66.1	89.1	0	0	0	112.6	K273 T274 L302 V307	K273-H305 PolarHBondContact N-CD2 3.28Å; K273-H305 PolarHBondContact N-NE2 3.33Å; T274-H305 PolarHBondContact N-CD2 3.21Å; T274-H305 WeakPolarHBondContact O-CB 3.4Å; L302-H305 WeakPolarHBondContact O-CB 3.28Å; L302-H305 PolarHBondContact O-N 3.39Å; H305-V307 PolarHBondContact O-N 2.97Å
306	K	49.2	Very low	53.7	Low	101 Å²	101	61.4 Å²	61.4	44%	0.439	38%	0.38	S	S	.	.			trans	-74	96.1	178.2	-170.2	178.5	179.5	-178.4	0	109.7	R275 L276 D335	R275-K306 WeakPolarHBondContact CA-O 3.39Å; R275-K306 HydrophobicContact CG-CB 4.24Å; L276-K306 PolarHBondContact N-O 2.92Å; K306-D335 PolarHBondContact NZ-O 3.43Å; K306-D335 VanDerWaalsContact NZ-O 3.15Å
307	V	55.2	Low	53.7	Low	24 Å²	24	64.7 Å²	64.7	15%	0.145	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	124.3	169.2	-173.2	0	0	0	0	108.3	L276 Y293 A296 H305	L276-V307 HydrophobicContact CB-CG1 4.28Å; L276-V307 HydrophobicContact CB-CG2 4.43Å; L276-V307 HydrophobicContact CD2-CG1 4.42Å; L276-V307 CarbonylContact O-C 3.54Å; L276-V307 WeakPolarHBondContact O-CA 3.25Å; Y293-V307 HydrophobicContact CD2-CG1 3.66Å; Y293-V307 HydrophobicContact CE2-CB 4.26Å; Y293-V307 HydrophobicContact CE2-CG1 3.68Å; A296-V307 HydrophobicContact CB-CG1 4.35Å; H305-V307 PolarHBondContact O-N 2.97Å
308	Q	56.2	Low	53.3	Low	57 Å²	57	62.6 Å²	62.6	27%	0.266	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	125.9	-179.2	-168.5	176.6	1.1	0	0	110.7	L276 Q277 I278 V310 F336	L276-Q308 PolarHBondContact O-N 3.33Å; Q277-Q308 VanDerWaalsContact CA-O 3.28Å; Q277-Q308 WeakPolarHBondContact CA-O 3.27Å; I278-Q308 PolarHBondContact N-O 2.71Å; I278-Q308 VanDerWaalsContact N-O 3.09Å; Q308-V310 HydrophobicContact CG-CG2 4.07Å; Q308-F336 HydrophobicContact CB-CD2 4.48Å
309	F	56.8	Low	52.8	Low	53 Å²	53	61.8 Å²	61.8	23%	0.232	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	127.3	170.5	179.6	-107.5	0	0	0	109.3	I278 Q280 Y293 A311	I278-F309 HydrophobicContact CB-CD2 3.99Å; I278-F309 HydrophobicContact CG2-CD2 3.97Å; I278-F309 HydrophobicContact CG2-CE2 4.07Å; Q280-F309 HydrophobicContact CB-CE2 4.37Å; Y293-F309 HydrophobicContact CD1-CB 4.32Å; Y293-F309 HydrophobicContact CD2-CB 3.59Å; Y293-F309 HydrophobicContact CE2-CB 3.97Å; Y293-F309 HydrophobicContact CG-CB 3.77Å; Y293-F309 HydrophobicContact CG-CG 4.41Å; F309-A311 HydrophobicContact CD1-CB 4.5Å; F309-A311 HydrophobicContact CE1-CB 3.71Å; F309-A311 HydrophobicContact CZ-CB 4.1Å
310	V	57.8	Low	52.5	Low	21 Å²	21	64.4 Å²	64.4	13%	0.127	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	105.5	175.6	-177.3	0	0	0	0	108.4	Q277 I278 F279 Q280 Q308 F312 I332	Q277-V310 HydrophobicContact CG-CG2 4.45Å; I278-V310 PolarHBondContact O-N 2.87Å; F279-V310 HydrophobicContact CD1-CB 4.02Å; F279-V310 HydrophobicContact CD1-CG1 4.33Å; F279-V310 HydrophobicContact CE1-CB 4.07Å; F279-V310 HydrophobicContact CE1-CG1 4.28Å; Q280-V310 PolarHBondContact N-O 3.23Å; Q308-V310 HydrophobicContact CG-CG2 4.07Å; V310-F312 HydrophobicContact CG1-CE2 4.41Å; V310-F312 HydrophobicContact CG1-CZ 4.32Å; V310-I332 HydrophobicContact CG1-CD1 4.08Å; V310-I332 HydrophobicContact CG2-CG2 4.11Å
311	A	55.6	Low	52.2	Low	46 Å²	46	65 Å²	65	38%	0.38	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	127.1	169.3	0	0	0	0	0	108.8	F309	F309-A311 HydrophobicContact CD1-CB 4.5Å; F309-A311 HydrophobicContact CE1-CB 3.71Å; F309-A311 HydrophobicContact CZ-CB 4.1Å
312	F	58	Low	52.6	Low	10 Å²	10	66.8 Å²	66.8	4%	0.044	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-93	138.7	170.5	-69.9	-78	0	0	0	109.2	F279 Q280 Q281 V310 F318 I323 S326 L329 I332	F279-F312 HydrophobicContact CD1-CD2 4.19Å; F279-F312 AromaticContact CD1-CE2 3.38Å; F279-F312 HydrophobicContact CD1-CE2 3.38Å; F279-F312 HydrophobicContact CD1-CZ 4.12Å; F279-F312 AromaticContact CE1-CE2 3.78Å; F279-F312 HydrophobicContact CE1-CE2 3.78Å; F279-F312 HydrophobicContact CE1-CZ 4.05Å; F279-F312 HydrophobicContact CG-CE2 4.38Å; Q280-F312 PolarHBondContact O-N 2.85Å; Q281-F312 VanDerWaalsContact CD-O 3.32Å; Q281-F312 HydrophobicContact CG-CB 3.66Å; Q281-F312 VanDerWaalsContact CG-O 3.22Å; Q281-F312 WeakPolarHBondContact CG-O 3.44Å; Q281-F312 PolarHBondContact NE2-O 3.44Å; V310-F312 HydrophobicContact CG1-CE2 4.41Å; V310-F312 HydrophobicContact CG1-CZ 4.32Å; F312-F318 HydrophobicContact CB-CD2 4.35Å; F312-F318 HydrophobicContact CD1-CE2 4.27Å; F312-F318 HydrophobicContact CG-CD2 4.49Å; F312-I323 HydrophobicContact CE2-CG2 4.05Å; F312-S326 WeakPolarHBondContact CE1-OG 3.25Å; F312-L329 HydrophobicContact CZ-CD1 4.41Å; F312-I332 HydrophobicContact CE1-CD1 3.8Å; F312-I332 HydrophobicContact CZ-CD1 3.75Å
313	P	53.3	Low	53	Low	76 Å²	76	67 Å²	67	49%	0.494	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-60.4	137.1	177.4	-24.3	31.8	0	0	0	113.6	Q281 A315 L316	Q281-P313 PolarHBondContact NE2-O 2.91Å; P313-A315 PolarHBondContact O-N 3.46Å; P313-A315 VanDerWaalsContact O-N 3.1Å; P313-L316 HydrophobicContact CB-CG 4.49Å; P313-L316 HydrophobicContact CG-CD1 4.3Å; P313-L316 PolarHBondContact O-N 3.18Å; P313-L316 VanDerWaalsContact O-N 3.07Å
314	A	54.5	Low	53.8	Low	68 Å²	68	63.6 Å²	63.6	56%	0.562	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-58.1	-25.7	177.7	0	0	0	0	0	113.2	L316 A317	A314-L316 PolarHBondContact O-N 3.46Å; A314-A317 PolarHBondContact O-N 2.84Å
315	A	50.6	Low	54.5	Low	97 Å²	97	66.5 Å²	66.5	80%	0.802	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-60.2	-26.2	176.5	0	0	0	0	0	113.7	P313 A317	P313-A315 PolarHBondContact O-N 3.46Å; P313-A315 VanDerWaalsContact O-N 3.1Å; A315-A317 PolarHBondContact O-N 2.9Å
316	L	55.4	Low	54.5	Low	80 Å²	80	64.4 Å²	64.4	42%	0.419	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-78.9	-1.4	-179.4	-61.9	173.8	0	0	0	113.6	P313 A314 F318	P313-L316 HydrophobicContact CB-CG 4.49Å; P313-L316 HydrophobicContact CG-CD1 4.3Å; P313-L316 PolarHBondContact O-N 3.18Å; P313-L316 VanDerWaalsContact O-N 3.07Å; A314-L316 PolarHBondContact O-N 3.46Å; L316-F318 HydrophobicContact CB-CD2 3.65Å; L316-F318 HydrophobicContact CB-CE1 4.36Å; L316-F318 HydrophobicContact CB-CE2 3.35Å; L316-F318 HydrophobicContact CB-CG 4.29Å; L316-F318 HydrophobicContact CB-CZ 3.73Å; L316-F318 HydrophobicContact CD1-CD2 4.34Å; L316-F318 HydrophobicContact CD1-CE2 3.48Å; L316-F318 VanDerWaalsContact CD1-CE2 3.48Å; L316-F318 HydrophobicContact CD1-CZ 4.04Å; L316-F318 HydrophobicContact CG-CE2 4Å; L316-F318 HydrophobicContact CG-CZ 4.34Å; L316-F318 WeakPolarHBondContact O-CD1 3.23Å; L316-F318 PolarHBondContact O-N 3.07Å
317	A	54.3	Low	55.2	Low	69 Å²	69	67.3 Å²	67.3	57%	0.57	36%	0.36	S	S	*	.			trans	51.1	23.6	171.8	0	0	0	0	0	116.1	A314 A315 R319	A314-A317 PolarHBondContact O-N 2.84Å; A315-A317 PolarHBondContact O-N 2.9Å; A317-R319 PolarHBondContact O-N 3.34Å
318	F	50.9	Low	55.6	Low	23 Å²	23	71.4 Å²	71.4	10%	0.101	38%	0.378	C	S	.	.			trans	-63.4	-12.4	-178.2	-62.9	-47.9	0	0	0	113.6	F312 L316 F322 R325	F312-F318 HydrophobicContact CB-CD2 4.35Å; F312-F318 HydrophobicContact CD1-CE2 4.27Å; F312-F318 HydrophobicContact CG-CD2 4.49Å; L316-F318 HydrophobicContact CB-CD2 3.65Å; L316-F318 HydrophobicContact CB-CE1 4.36Å; L316-F318 HydrophobicContact CB-CE2 3.35Å; L316-F318 HydrophobicContact CB-CG 4.29Å; L316-F318 HydrophobicContact CB-CZ 3.73Å; L316-F318 HydrophobicContact CD1-CD2 4.34Å; L316-F318 HydrophobicContact CD1-CE2 3.48Å; L316-F318 VanDerWaalsContact CD1-CE2 3.48Å; L316-F318 HydrophobicContact CD1-CZ 4.04Å; L316-F318 HydrophobicContact CG-CE2 4Å; L316-F318 HydrophobicContact CG-CZ 4.34Å; L316-F318 WeakPolarHBondContact O-CD1 3.23Å; L316-F318 PolarHBondContact O-N 3.07Å; F318-F322 CarbonylContact O-C 3.55Å; F318-F322 WeakPolarHBondContact O-CA 3.45Å; F318-F322 WeakPolarHBondContact O-CB 3.5Å; F318-F322 WeakPolarHBondContact O-CD2 3.25Å; F318-F322 PolarHBondContact O-N 3.35Å; F318-R325 HydrophobicContact CD1-CB 4.01Å; F318-R325 HydrophobicContact CE1-CB 3.98Å
319	R	50.4	Low	56.1	Low	189 Å²	189	68.7 Å²	68.7	71%	0.713	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.9	-172.3	-179.4	-62.4	-175.4	179.2	-172.3	-0	112.4	R221 A317 K321 F322	R221-R319 PolarHBondContact NH1-O 3.34Å; R221-R319 PolarHBondContact NH2-O 3.45Å; A317-R319 PolarHBondContact O-N 3.34Å; R319-K321 PolarHBondContact O-N 2.97Å; R319-F322 HydrophobicContact CB-CD2 3.98Å; R319-F322 HydrophobicContact CB-CE2 4.29Å
320	H	48.1	Very low	56.3	Low	73 Å²	73	67.7 Å²	67.7	34%	0.338	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.7	-178.1	-164.6	64.1	0	0	0	114.7	H190 S191 R221	H190-H320 PolarHBondContact CE1-O 3.38Å; S191-H320 VanDerWaalsContact CB-NE2 3.34Å; S191-H320 WeakPolarHBondContact CB-NE2 2.95Å; S191-H320 PolarHBondContact OG-CE1 3.2Å; S191-H320 PolarHBondContact OG-NE2 2.89Å; R221-H320 PolarHBondContact NH1-O 2.91Å
321	K	48.5	Very low	56.6	Low	114 Å²	114	69.8 Å²	69.8	50%	0.496	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-16.5	-167.7	-64.4	-179.7	179.4	179.8	0	115.6	H128 R319 Y324	H128-K321 HydrophobicContact CB-CB 4.24Å; H128-K321 WeakPolarHBondContact CB-O 3.44Å; R319-K321 PolarHBondContact O-N 2.97Å; K321-Y324 WeakPolarHBondContact O-CE1 3.12Å
322	F	53.7	Low	57	Low	58 Å²	58	68.6 Å²	68.6	25%	0.254	36%	0.361	S	S	.	.			trans	-109.5	30.5	-166.7	-44.9	-70	0	0	0	115	F318 R319 Y324 R325	F318-F322 CarbonylContact O-C 3.55Å; F318-F322 WeakPolarHBondContact O-CA 3.45Å; F318-F322 WeakPolarHBondContact O-CB 3.5Å; F318-F322 WeakPolarHBondContact O-CD2 3.25Å; F318-F322 PolarHBondContact O-N 3.35Å; R319-F322 HydrophobicContact CB-CD2 3.98Å; R319-F322 HydrophobicContact CB-CE2 4.29Å; F322-Y324 HydrophobicContact CB-CE1 4.08Å; F322-Y324 AromaticContact CD1-CE1 3.65Å; F322-Y324 HydrophobicContact CD1-CE1 3.65Å; F322-Y324 AromaticContact CD1-CZ 3.74Å; F322-Y324 VanDerWaalsContact CD1-OH 3.23Å; F322-Y324 WeakPolarHBondContact CD1-OH 3.48Å; F322-Y324 HydrophobicContact CG-CE1 4.36Å; F322-Y324 PolarHBondContact O-N 3.42Å; F322-R325 HydrophobicContact CB-CG 4.02Å; F322-R325 WeakPolarHBondContact O-CB 3.42Å; F322-R325 PolarHBondContact O-N 3.34Å
323	I	59.6	Low	57.3	Low	11 Å²	11	68.1 Å²	68.1	6%	0.056	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-57.9	-32	176.1	-66	168.7	0	0	0	111.1	R221 F279 F312 R325 S326 L329	R221-I323 HydrophobicContact CG-CD1 4.07Å; R221-I323 VanDerWaalsContact NH1-CD1 3.27Å; F279-I323 HydrophobicContact CB-CD1 4.33Å; F312-I323 HydrophobicContact CE2-CG2 4.05Å; I323-R325 PolarHBondContact O-N 3.38Å; I323-R325 VanDerWaalsContact O-N 3.09Å; I323-S326 WeakPolarHBondContact O-CB 3.48Å; I323-S326 PolarHBondContact O-N 2.93Å; I323-S326 VanDerWaalsContact O-N 3.08Å; I323-L329 HydrophobicContact CG2-CD1 3.99Å; I323-L329 HydrophobicContact CG2-CD2 4.11Å
324	Y	59.7	Low	57.8	Low	30 Å²	30	64.6 Å²	64.6	12%	0.118	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-60.9	-16.1	176.4	70.6	-95.9	0	0	0	114.1	H128 Q131 K321 F322 S326	H128-Y324 HydrophobicContact CB-CD1 4.36Å; H128-Y324 HydrophobicContact CB-CE1 3.8Å; H128-Y324 WeakPolarHBondContact O-CD1 3.48Å; Q131-Y324 HydrophobicContact CB-CD1 4.32Å; Q131-Y324 HydrophobicContact CB-CD2 3.65Å; Q131-Y324 HydrophobicContact CB-CE1 4.38Å; Q131-Y324 HydrophobicContact CB-CE2 3.73Å; Q131-Y324 HydrophobicContact CB-CG 3.99Å; Q131-Y324 HydrophobicContact CG-CE2 4.15Å; Q131-Y324 PolarHBondContact OE1-OH 2.83Å; K321-Y324 WeakPolarHBondContact O-CE1 3.12Å; F322-Y324 HydrophobicContact CB-CE1 4.08Å; F322-Y324 AromaticContact CD1-CE1 3.65Å; F322-Y324 HydrophobicContact CD1-CE1 3.65Å; F322-Y324 AromaticContact CD1-CZ 3.74Å; F322-Y324 VanDerWaalsContact CD1-OH 3.23Å; F322-Y324 WeakPolarHBondContact CD1-OH 3.48Å; F322-Y324 HydrophobicContact CG-CE1 4.36Å; F322-Y324 PolarHBondContact O-N 3.42Å; Y324-S326 VanDerWaalsContact C-N 3.29Å
325	R	59.9	Low	58.2	Low	146 Å²	146	65 Å²	65	55%	0.551	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-81.3	-8.1	177.2	-62.8	-173.6	-175.3	-168.9	-3	113.2	F318 F322 I323 L327	F318-R325 HydrophobicContact CD1-CB 4.01Å; F318-R325 HydrophobicContact CE1-CB 3.98Å; F322-R325 HydrophobicContact CB-CG 4.02Å; F322-R325 WeakPolarHBondContact O-CB 3.42Å; F322-R325 PolarHBondContact O-N 3.34Å; I323-R325 PolarHBondContact O-N 3.38Å; I323-R325 VanDerWaalsContact O-N 3.09Å; R325-L327 PolarHBondContact O-N 2.91Å
326	S	57.2	Low	58.7	Low	6 Å²	6	60.4 Å²	60.4	4%	0.042	29%	0.291	C	S	.	.			trans	-71.7	121.7	177.3	176.4	0	0	0	0	110.1	F312 I323 Y324 E328 L329	F312-S326 WeakPolarHBondContact CE1-OG 3.25Å; I323-S326 WeakPolarHBondContact O-CB 3.48Å; I323-S326 PolarHBondContact O-N 2.93Å; I323-S326 VanDerWaalsContact O-N 3.08Å; Y324-S326 VanDerWaalsContact C-N 3.29Å; S326-E328 PolarHBondContact O-N 2.87Å; S326-E328 PolarHBondContact OG-N 3.3Å; S326-L329 WeakPolarHBondContact O-CB 3.46Å; S326-L329 PolarHBondContact O-N 3.44Å; S326-L329 PolarHBondContact OG-N 3.02Å
327	L	63.8	Low	59	Low	162 Å²	162	57.1 Å²	57.1	85%	0.848	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.9	173.3	-65.6	172	0	0	0	112	R325 P330	R325-L327 PolarHBondContact O-N 2.91Å; L327-P330 WeakPolarHBondContact O-CD 3.46Å
328	E	64.2	Low	58.9	Low	111 Å²	111	56.8 Å²	56.8	52%	0.519	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-17.6	178	-62.8	177.3	177.8	0	0	112.4	S326 N331 I332	S326-E328 PolarHBondContact O-N 2.87Å; S326-E328 PolarHBondContact OG-N 3.3Å; E328-N331 PolarHBondContact O-N 3.1Å; E328-N331 VanDerWaalsContact O-N 3.14Å; E328-I332 HydrophobicContact CB-CD1 3.87Å; E328-I332 HydrophobicContact CB-CG1 4.5Å; E328-I332 WeakPolarHBondContact O-CD1 3.33Å; E328-I332 VanDerWaalsContact O-CG1 3.25Å; E328-I332 WeakPolarHBondContact O-CG1 3.39Å; E328-I332 PolarHBondContact O-N 2.59Å
329	L	65.1	Low	58.9	Low	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-56.6	-51.7	-176.8	-176.8	71.9	0	0	0	111.2	L132 W188 F279 F312 I323 S326 N331 I332 L333	L132-L329 HydrophobicContact CD1-CD2 4.33Å; W188-L329 HydrophobicContact CH2-CD1 4.49Å; F279-L329 HydrophobicContact CE1-CD1 3.91Å; F279-L329 HydrophobicContact CE2-CD1 4.44Å; F279-L329 HydrophobicContact CZ-CD1 3.76Å; F312-L329 HydrophobicContact CZ-CD1 4.41Å; I323-L329 HydrophobicContact CG2-CD1 3.99Å; I323-L329 HydrophobicContact CG2-CD2 4.11Å; S326-L329 WeakPolarHBondContact O-CB 3.46Å; S326-L329 PolarHBondContact O-N 3.44Å; S326-L329 PolarHBondContact OG-N 3.02Å; L329-N331 PolarHBondContact O-N 2.87Å; L329-I332 PolarHBondContact O-N 3.45Å; L329-I332 VanDerWaalsContact O-N 3.15Å; L329-L333 HydrophobicContact CD1-CD2 4.13Å; L329-L333 HydrophobicContact CD1-CG 4.22Å; L329-L333 HydrophobicContact CG-CD1 4.09Å; L329-L333 HydrophobicContact CG-CD2 4.46Å; L329-L333 HydrophobicContact CG-CG 4.07Å; L329-L333 WeakPolarHBondContact O-CB 3.42Å; L329-L333 WeakPolarHBondContact O-CG 3.38Å; L329-L333 PolarHBondContact O-N 3.42Å
330	P	62.3	Low	58.3	Low	31 Å²	31	53 Å²	53	20%	0.201	29%	0.29	C	S	.	.	H	α-helix	trans	-51.9	-41.5	176.7	-26.7	36.2	0	0	0	113.7	V135 L139 L327 L333 S334 P342	V135-P330 HydrophobicContact CG1-CG 4.28Å; L139-P330 HydrophobicContact CD2-CB 4.16Å; L327-P330 WeakPolarHBondContact O-CD 3.46Å; P330-L333 WeakPolarHBondContact O-CB 3.33Å; P330-L333 PolarHBondContact O-N 3.24Å; P330-S334 WeakPolarHBondContact O-CB 3.35Å; P330-S334 PolarHBondContact O-N 3.38Å; P330-P342 HydrophobicContact CB-CG 4.09Å
331	N	64.3	Low	57.8	Low	66 Å²	66	55 Å²	55	35%	0.353	30%	0.3	S	S	.	.	H	α-helix	trans	-67.8	-47	178.8	-65.4	-21.9	0	0	0	111.5	E328 L329 L333 S334 D335	E328-N331 PolarHBondContact O-N 3.1Å; E328-N331 VanDerWaalsContact O-N 3.14Å; L329-N331 PolarHBondContact O-N 2.87Å; N331-L333 PolarHBondContact O-N 3.35Å; N331-S334 WeakPolarHBondContact O-CB 3.36Å; N331-S334 PolarHBondContact O-N 3.22Å; N331-S334 VanDerWaalsContact O-N 3.1Å; N331-D335 VanDerWaalsContact O-CG 3.23Å; N331-D335 PolarHBondContact O-N 3.22Å
332	I	64.3	Low	57.5	Low	20 Å²	20	52 Å²	52	10%	0.103	29%	0.292	C	S	.	.	H	α-helix	trans	-60.3	-36.3	175.5	-65.2	159.8	0	0	0	111.2	F279 V310 F312 E328 L329 F336	F279-I332 HydrophobicContact CE1-CG2 3.91Å; F279-I332 HydrophobicContact CZ-CG2 3.96Å; V310-I332 HydrophobicContact CG1-CD1 4.08Å; V310-I332 HydrophobicContact CG2-CG2 4.11Å; F312-I332 HydrophobicContact CE1-CD1 3.8Å; F312-I332 HydrophobicContact CZ-CD1 3.75Å; E328-I332 HydrophobicContact CB-CD1 3.87Å; E328-I332 HydrophobicContact CB-CG1 4.5Å; E328-I332 WeakPolarHBondContact O-CD1 3.33Å; E328-I332 VanDerWaalsContact O-CG1 3.25Å; E328-I332 WeakPolarHBondContact O-CG1 3.39Å; E328-I332 PolarHBondContact O-N 2.59Å; L329-I332 PolarHBondContact O-N 3.45Å; L329-I332 VanDerWaalsContact O-N 3.15Å; I332-F336 WeakPolarHBondContact O-CB 3.48Å; I332-F336 PolarHBondContact O-N 2.92Å
333	L	64.2	Low	56.5	Low	0 Å²	0	54.1 Å²	54.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-66.8	-47.5	174.6	-63.8	-174.2	0	0	0	110.7	L136 L139 W188 K218 F279 L329 P330 N331 D335 F336 L337	L136-L333 HydrophobicContact CD2-CD1 3.65Å; L139-L333 HydrophobicContact CD1-CB 4.03Å; L139-L333 HydrophobicContact CD1-CD1 3.61Å; L139-L333 HydrophobicContact CD1-CG 4.42Å; W188-L333 HydrophobicContact CH2-CD2 3.8Å; W188-L333 HydrophobicContact CZ3-CD2 3.44Å; W188-L333 VanDerWaalsContact CZ3-CD2 3.44Å; K218-L333 HydrophobicContact CD-CD2 4.24Å; F279-L333 HydrophobicContact CZ-CD2 4.33Å; L329-L333 HydrophobicContact CD1-CD2 4.13Å; L329-L333 HydrophobicContact CD1-CG 4.22Å; L329-L333 HydrophobicContact CG-CD1 4.09Å; L329-L333 HydrophobicContact CG-CD2 4.46Å; L329-L333 HydrophobicContact CG-CG 4.07Å; L329-L333 WeakPolarHBondContact O-CB 3.42Å; L329-L333 WeakPolarHBondContact O-CG 3.38Å; L329-L333 PolarHBondContact O-N 3.42Å; P330-L333 WeakPolarHBondContact O-CB 3.33Å; P330-L333 PolarHBondContact O-N 3.24Å; N331-L333 PolarHBondContact O-N 3.35Å; L333-D335 PolarHBondContact O-N 3.42Å; L333-F336 PolarHBondContact O-N 3.06Å; L333-L337 HydrophobicContact CB-CD1 4.29Å; L333-L337 VanDerWaalsContact O-CB 3.24Å; L333-L337 WeakPolarHBondContact O-CB 3.34Å; L333-L337 WeakPolarHBondContact O-CD1 3.27Å; L333-L337 WeakPolarHBondContact O-CG 3.32Å; L333-L337 PolarHBondContact O-N 3.21Å
334	S	63.9	Low	55.2	Low	3 Å²	3	63.5 Å²	63.5	2%	0.021	38%	0.377	C	S	.	.	H	α-helix	trans	-57.2	-49.3	177.6	-141.8	0	0	0	0	111.7	P330 N331 F336 L337 G338 A339 A340 H341	P330-S334 WeakPolarHBondContact O-CB 3.35Å; P330-S334 PolarHBondContact O-N 3.38Å; N331-S334 WeakPolarHBondContact O-CB 3.36Å; N331-S334 PolarHBondContact O-N 3.22Å; N331-S334 VanDerWaalsContact O-N 3.1Å; S334-F336 VanDerWaalsContact C-N 3.29Å; S334-F336 PolarHBondContact O-N 3.37Å; S334-L337 PolarHBondContact O-N 3.47Å; S334-G338 WeakPolarHBondContact O-CA 3.37Å; S334-G338 PolarHBondContact O-N 3.44Å; S334-A339 PolarHBondContact O-N 3.11Å; S334-A339 PolarHBondContact OG-O 2.87Å; S334-A340 PolarHBondContact OG-O 2.84Å; S334-H341 WeakPolarHBondContact OG-CA 3.44Å; S334-H341 PolarHBondContact OG-N 2.96Å
335	D	62.7	Low	55	Low	76 Å²	76	65.2 Å²	65.2	41%	0.406	39%	0.39	S	S	.	.	H	α-helix	trans	-64	-32.9	-179.5	-68.2	-18.6	0	0	0	113.4	K306 N331 L333 H341	K306-D335 PolarHBondContact NZ-O 3.43Å; K306-D335 VanDerWaalsContact NZ-O 3.15Å; N331-D335 VanDerWaalsContact O-CG 3.23Å; N331-D335 PolarHBondContact O-N 3.22Å; L333-D335 PolarHBondContact O-N 3.42Å; D335-H341 IonicContact OD1-CE1 3.98Å; D335-H341 PolarHBondContact OD1-CE1 3.09Å; D335-H341 IonicContact OD1-NE2 3.48Å
336	F	60.5	Low	54.7	Low	0 Å²	0	60.9 Å²	60.9	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-81.7	-38.7	179.9	-177.8	-97.8	0	0	0	112	K218 R275 Q277 Q308 I332 L333 S334	K218-F336 HydrophobicContact CB-CE1 4.4Å; K218-F336 HydrophobicContact CD-CD1 3.97Å; K218-F336 HydrophobicContact CD-CE1 3.98Å; K218-F336 HydrophobicContact CG-CE1 4.27Å; R275-F336 HydrophobicContact CB-CE1 3.92Å; R275-F336 HydrophobicContact CB-CE2 3.63Å; R275-F336 HydrophobicContact CB-CZ 3.3Å; R275-F336 VanDerWaalsContact CD-O 3.31Å; R275-F336 WeakPolarHBondContact CD-O 3.31Å; R275-F336 PolarHBondContact NH1-O 3.01Å; R275-F336 WeakPolarHBondContact O-CZ 3.34Å; Q277-F336 HydrophobicContact CB-CD1 4.4Å; Q277-F336 HydrophobicContact CB-CD2 3.86Å; Q277-F336 HydrophobicContact CB-CE1 4.09Å; Q277-F336 HydrophobicContact CB-CE2 3.55Å; Q277-F336 HydrophobicContact CB-CG 4.25Å; Q277-F336 HydrophobicContact CB-CZ 3.62Å; Q277-F336 HydrophobicContact CG-CD2 4.34Å; Q277-F336 HydrophobicContact CG-CE2 4.43Å; Q308-F336 HydrophobicContact CB-CD2 4.48Å; I332-F336 WeakPolarHBondContact O-CB 3.48Å; I332-F336 PolarHBondContact O-N 2.92Å; L333-F336 PolarHBondContact O-N 3.06Å; S334-F336 VanDerWaalsContact C-N 3.29Å; S334-F336 PolarHBondContact O-N 3.37Å
337	L	60.4	Low	54.6	Low	11 Å²	11	63.9 Å²	63.9	6%	0.058	40%	0.401	C	S	.	.	H	α-helix	trans	-87.6	-13.5	-176.6	-59.8	169.6	0	0	0	112	Y141 Y186 L333 S334 A339	Y141-L337 HydrophobicContact CE1-CD1 3.86Å; Y141-L337 HydrophobicContact CE2-CD1 3.87Å; Y141-L337 WeakPolarHBondContact OH-CB 3.31Å; Y141-L337 WeakPolarHBondContact OH-CD1 3.32Å; Y186-L337 HydrophobicContact CD1-CD2 3.44Å; Y186-L337 VanDerWaalsContact CD1-CD2 3.44Å; Y186-L337 HydrophobicContact CD2-CD2 3.94Å; Y186-L337 HydrophobicContact CE1-CD2 3.35Å; Y186-L337 HydrophobicContact CE2-CD2 3.85Å; Y186-L337 HydrophobicContact CG-CD2 3.72Å; Y186-L337 PolarHBondContact OH-O 3.11Å; L333-L337 HydrophobicContact CB-CD1 4.29Å; L333-L337 VanDerWaalsContact O-CB 3.24Å; L333-L337 WeakPolarHBondContact O-CB 3.34Å; L333-L337 WeakPolarHBondContact O-CD1 3.27Å; L333-L337 WeakPolarHBondContact O-CG 3.32Å; L333-L337 PolarHBondContact O-N 3.21Å; S334-L337 PolarHBondContact O-N 3.47Å; L337-A339 VanDerWaalsContact C-N 3.27Å
338	G	53.4	Low	54	Low	62 Å²	62	58.2 Å²	58.2	64%	0.639	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	21.7	-177.1	0	0	0	0	0	113.1	S334	S334-G338 WeakPolarHBondContact O-CA 3.37Å; S334-G338 PolarHBondContact O-N 3.44Å
339	A	50.8	Low	53.4	Low	37 Å²	37	54.9 Å²	54.9	31%	0.306	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-84.9	153.6	176.2	0	0	0	0	0	110.7	Y141 S334 L337 H341	Y141-A339 WeakPolarHBondContact OH-CB 3.44Å; S334-A339 PolarHBondContact O-N 3.11Å; S334-A339 PolarHBondContact OG-O 2.87Å; L337-A339 VanDerWaalsContact C-N 3.27Å; A339-H341 PolarHBondContact O-N 3.47Å
340	A	37.8	Very low	52.6	Low	95 Å²	95	58.5 Å²	58.5	79%	0.785	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-58.7	135.3	173.7	0	0	0	0	0	110.2	S334	S334-A340 PolarHBondContact OG-O 2.84Å
341	H	38.2	Very low	51.9	Low	117 Å²	117	60.5 Å²	60.5	54%	0.542	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-54.4	136.8	178.7	-72.7	-76.9	0	0	0	110.5	S334 D335 A339 A343	S334-H341 WeakPolarHBondContact OG-CA 3.44Å; S334-H341 PolarHBondContact OG-N 2.96Å; D335-H341 IonicContact OD1-CE1 3.98Å; D335-H341 PolarHBondContact OD1-CE1 3.09Å; D335-H341 IonicContact OD1-NE2 3.48Å; A339-H341 PolarHBondContact O-N 3.47Å; H341-A343 PolarHBondContact O-N 3.03Å
342	P	40.8	Very low	50.9	Low	50 Å²	50	60.1 Å²	60.1	33%	0.325	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-58.4	125.9	168	24.5	-30.7	0	0	0	108.1	L139 P330 V344	L139-P342 HydrophobicContact CD2-CB 4.2Å; L139-P342 HydrophobicContact CD2-CG 3.92Å; P330-P342 HydrophobicContact CB-CG 4.09Å; P342-V344 PolarHBondContact O-N 3.09Å
343	A	33.9	Very low	49.8	Very low	103 Å²	103	63.4 Å²	63.4	85%	0.851	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-59.2	123.8	172.5	0	0	0	0	0	108.2	H341	H341-A343 PolarHBondContact O-N 3.03Å
344	V	31.4	Very low	48.5	Very low	207 Å²	207	69.2 Å²	69.2	100%	1.255	47%	0.472	S	S	*	.			trans	-60.4	0	-179.1	176.1	0	0	0	0	111.2	P342	P342-V344 PolarHBondContact O-N 3.09Å

Retrieved 344 of 344 residues in 69.7 ms (Link to these results)

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