A0A060XTE6_ONCMY Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A060XTE6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110536897, Length 375 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	52.8	Low	60.5	Low	215 Å²	215	115.2 Å²	115.2	100%	1.059	64%	0.639	S	S	*	*				0	-28.3	0	-77.7	-174.1	-84.3	0	0	114.7
2	V	51.5	Low	61.5	Low	132 Å²	132	116.1 Å²	116.1	80%	0.8	64%	0.638	S	S	*	*	H	α-helix	trans	-70.7	-31.5	-176.9	-177.7	0	0	0	0	114.6
3	R	50.6	Low	62.3	Low	225 Å²	225	115.5 Å²	115.5	85%	0.849	63%	0.632	S	S	*	*	H	α-helix	trans	-73.6	-27.5	179.4	-77.8	-173.4	176.9	-174.7	-0.8	114.6
4	I	52.4	Low	63.2	Low	116 Å²	116	111.2 Å²	111.2	60%	0.595	62%	0.615	S	S	*	*	H	α-helix	trans	-76.6	-35.1	-178.5	-62.7	172.5	0	0	0	110.8	S6 V7 L8	I4-S6 PolarHBondContact O-N 3.49Å; I4-V7 PolarHBondContact O-N 3.3Å; I4-L8 HydrophobicContact CG2-CD1 3.86Å; I4-L8 PolarHBondContact O-N 3.45Å; I4-L8 VanDerWaalsContact O-N 3.13Å
5	A	52.5	Low	64.3	Low	69 Å²	69	108.3 Å²	108.3	57%	0.57	60%	0.601	S	S	*	*	H	α-helix	trans	-66.1	-34.3	177.2	0	0	0	0	0	113.2	G9	A5-G9 PolarHBondContact O-N 2.99Å
6	S	59.1	Low	65.2	Low	73 Å²	73	106 Å²	106	51%	0.51	59%	0.591	S	S	.	*	H	α-helix	trans	-68.5	-41.2	177.5	176.3	0	0	0	0	112.4	I4 G9 L10	I4-S6 PolarHBondContact O-N 3.49Å; S6-G9 PolarHBondContact O-N 3.33Å; S6-L10 PolarHBondContact O-N 3.21Å; S6-L10 VanDerWaalsContact O-N 3.1Å
7	V	65.1	Low	65.8	Low	94 Å²	94	106.1 Å²	106.1	57%	0.57	59%	0.59	S	S	*	*	H	α-helix	trans	-69.4	-41	178.4	178.7	0	0	0	0	111.1	I4 G9 L10 V11	I4-V7 PolarHBondContact O-N 3.3Å; V7-G9 VanDerWaalsContact C-N 3.34Å; V7-G9 PolarHBondContact O-N 3.19Å; V7-L10 PolarHBondContact O-N 3.42Å; V7-V11 VanDerWaalsContact O-CG2 3.3Å; V7-V11 WeakPolarHBondContact O-CG2 3.48Å; V7-V11 PolarHBondContact O-N 3.3Å
8	L	66	Low	66.5	Low	107 Å²	107	106.4 Å²	106.4	56%	0.56	59%	0.589	S	S	*	*	H	α-helix	trans	-62.4	-39.3	173	-100.4	123	0	0	0	112.3	I4 V11 M12	I4-L8 HydrophobicContact CG2-CD1 3.86Å; I4-L8 PolarHBondContact O-N 3.45Å; I4-L8 VanDerWaalsContact O-N 3.13Å; L8-V11 PolarHBondContact O-N 3.44Å; L8-M12 WeakPolarHBondContact O-CB 3.03Å; L8-M12 VanDerWaalsContact O-CG 3.24Å; L8-M12 WeakPolarHBondContact O-CG 3.36Å; L8-M12 PolarHBondContact O-N 2.91Å
9	G	70.8	Confident	67	Low	43 Å²	43	105.7 Å²	105.7	44%	0.443	58%	0.583	S	S	.	*	H	α-helix	trans	-62.2	-42.2	175.9	0	0	0	0	0	113.2	A5 S6 V7 M12 L13	A5-G9 PolarHBondContact O-N 2.99Å; S6-G9 PolarHBondContact O-N 3.33Å; V7-G9 VanDerWaalsContact C-N 3.34Å; V7-G9 PolarHBondContact O-N 3.19Å; G9-M12 PolarHBondContact O-N 3.47Å; G9-L13 WeakPolarHBondContact O-CB 3.36Å; G9-L13 PolarHBondContact O-N 2.53Å
10	L	69.3	Low	67.2	Low	113 Å²	113	105.9 Å²	105.9	59%	0.592	58%	0.583	S	S	*	*	H	α-helix	trans	-67.9	-37.4	176.9	-88.3	151.7	0	0	0	112.9	S6 V7 S14	S6-L10 PolarHBondContact O-N 3.21Å; S6-L10 VanDerWaalsContact O-N 3.1Å; V7-L10 PolarHBondContact O-N 3.42Å; L10-S14 PolarHBondContact O-N 3.08Å; L10-S14 VanDerWaalsContact O-N 3.09Å; L10-S14 PolarHBondContact O-OG 3.06Å
11	V	75.4	Confident	67.6	Low	80 Å²	80	104.1 Å²	104.1	49%	0.485	58%	0.578	S	S	.	*	H	α-helix	trans	-69.4	-40.3	175.5	173.4	0	0	0	0	111.2	V7 L8 L13 S14 V15	V7-V11 VanDerWaalsContact O-CG2 3.3Å; V7-V11 WeakPolarHBondContact O-CG2 3.48Å; V7-V11 PolarHBondContact O-N 3.3Å; L8-V11 PolarHBondContact O-N 3.44Å; V11-L13 VanDerWaalsContact C-N 3.35Å; V11-L13 PolarHBondContact O-N 2.95Å; V11-S14 WeakPolarHBondContact CA-OG 3.32Å; V11-S14 PolarHBondContact O-N 3.23Å; V11-S14 PolarHBondContact O-OG 2.75Å; V11-V15 VanDerWaalsContact O-CG2 3.27Å; V11-V15 WeakPolarHBondContact O-CG2 3.38Å; V11-V15 PolarHBondContact O-N 3.35Å
12	M	72.9	Confident	68.3	Low	126 Å²	126	99.4 Å²	99.4	62%	0.621	56%	0.556	S	S	*	*	H	α-helix	trans	-65.3	-40.7	176	-69.6	-61.1	-72.1	0	0	111.4	L8 G9 V15 T16	L8-M12 WeakPolarHBondContact O-CB 3.03Å; L8-M12 VanDerWaalsContact O-CG 3.24Å; L8-M12 WeakPolarHBondContact O-CG 3.36Å; L8-M12 PolarHBondContact O-N 2.91Å; G9-M12 PolarHBondContact O-N 3.47Å; M12-V15 PolarHBondContact O-N 3.44Å; M12-T16 PolarHBondContact O-N 2.86Å; M12-T16 PolarHBondContact O-OG1 3.31Å
13	L	72.2	Confident	69.2	Low	108 Å²	108	97.9 Å²	97.9	57%	0.565	54%	0.543	S	S	*	.	H	α-helix	trans	-61.9	-44.8	177.3	-166.6	77.7	0	0	0	111.9	G9 V11 T16 L17	G9-L13 WeakPolarHBondContact O-CB 3.36Å; G9-L13 PolarHBondContact O-N 2.53Å; V11-L13 VanDerWaalsContact C-N 3.35Å; V11-L13 PolarHBondContact O-N 2.95Å; L13-T16 WeakPolarHBondContact CA-OG1 3.2Å; L13-T16 PolarHBondContact O-N 3.41Å; L13-T16 PolarHBondContact O-OG1 3.04Å; L13-L17 HydrophobicContact CG-CD1 4.36Å; L13-L17 WeakPolarHBondContact O-CG 3.47Å; L13-L17 PolarHBondContact O-N 2.92Å
14	S	74.5	Confident	70	Confident	56 Å²	56	90.5 Å²	90.5	39%	0.392	53%	0.526	S	S	.	.	H	α-helix	trans	-67.6	-37	179.6	58.5	0	0	0	0	112.6	L10 V11 L17 L18	L10-S14 PolarHBondContact O-N 3.08Å; L10-S14 VanDerWaalsContact O-N 3.09Å; L10-S14 PolarHBondContact O-OG 3.06Å; V11-S14 WeakPolarHBondContact CA-OG 3.32Å; V11-S14 PolarHBondContact O-N 3.23Å; V11-S14 PolarHBondContact O-OG 2.75Å; S14-L17 PolarHBondContact O-N 3.05Å; S14-L18 PolarHBondContact O-N 2.88Å
15	V	80.1	Confident	70.7	Confident	67 Å²	67	91.9 Å²	91.9	41%	0.406	53%	0.525	S	S	.	.	H	α-helix	trans	-65	-43.1	173.1	172.6	0	0	0	0	111.3	V11 M12 L17 L18 I19	V11-V15 VanDerWaalsContact O-CG2 3.27Å; V11-V15 WeakPolarHBondContact O-CG2 3.38Å; V11-V15 PolarHBondContact O-N 3.35Å; M12-V15 PolarHBondContact O-N 3.44Å; V15-L17 VanDerWaalsContact C-N 3.34Å; V15-L17 PolarHBondContact O-N 2.92Å; V15-L18 PolarHBondContact O-N 3.46Å; V15-I19 HydrophobicContact CG1-CD1 3.82Å; V15-I19 HydrophobicContact CG1-CG1 4.46Å; V15-I19 VanDerWaalsContact O-CG1 3.3Å; V15-I19 WeakPolarHBondContact O-CG1 3.47Å; V15-I19 PolarHBondContact O-N 3.44Å
16	T	77.3	Confident	71.1	Confident	72 Å²	72	92.8 Å²	92.8	44%	0.442	52%	0.522	S	S	.	.	H	α-helix	trans	-62.3	-39.1	174.7	26.2	0	0	0	0	113.1	M12 L13 I19 L20	M12-T16 PolarHBondContact O-N 2.86Å; M12-T16 PolarHBondContact O-OG1 3.31Å; L13-T16 WeakPolarHBondContact CA-OG1 3.2Å; L13-T16 PolarHBondContact O-N 3.41Å; L13-T16 PolarHBondContact O-OG1 3.04Å; T16-I19 PolarHBondContact O-N 3.37Å; T16-L20 WeakPolarHBondContact O-CB 3.34Å; T16-L20 VanDerWaalsContact O-CG 3.32Å; T16-L20 WeakPolarHBondContact O-CG 3.37Å; T16-L20 PolarHBondContact O-N 2.97Å
17	L	76.7	Confident	70.8	Confident	108 Å²	108	92.5 Å²	92.5	57%	0.565	52%	0.52	S	S	*	.	H	α-helix	trans	-66.5	-38.7	177.2	-75.1	166.1	0	0	0	111.9	L13 S14 V15 L20 S21	L13-L17 HydrophobicContact CG-CD1 4.36Å; L13-L17 WeakPolarHBondContact O-CG 3.47Å; L13-L17 PolarHBondContact O-N 2.92Å; S14-L17 PolarHBondContact O-N 3.05Å; V15-L17 VanDerWaalsContact C-N 3.34Å; V15-L17 PolarHBondContact O-N 2.92Å; L17-L20 PolarHBondContact O-N 3.44Å; L17-S21 VanDerWaalsContact O-CB 3.26Å; L17-S21 WeakPolarHBondContact O-CB 3.35Å; L17-S21 PolarHBondContact O-N 3.24Å
18	L	78.1	Confident	70.2	Confident	112 Å²	112	93 Å²	93	59%	0.586	52%	0.519	S	S	*	.	H	α-helix	trans	-65	-42	174	-84.6	160.3	0	0	0	112.2	S14 V15 S21 L22	S14-L18 PolarHBondContact O-N 2.88Å; V15-L18 PolarHBondContact O-N 3.46Å; L18-S21 WeakPolarHBondContact O-CB 3.46Å; L18-S21 PolarHBondContact O-N 3.44Å; L18-L22 WeakPolarHBondContact O-CB 3.49Å; L18-L22 PolarHBondContact O-N 3.11Å
19	I	76.3	Confident	69.2	Low	92 Å²	92	93.5 Å²	93.5	47%	0.472	52%	0.517	S	S	.	.	H	α-helix	trans	-64.6	-44.8	176.9	-68.2	167	0	0	0	110.7	V15 T16 S21 L22 I23	V15-I19 HydrophobicContact CG1-CD1 3.82Å; V15-I19 HydrophobicContact CG1-CG1 4.46Å; V15-I19 VanDerWaalsContact O-CG1 3.3Å; V15-I19 WeakPolarHBondContact O-CG1 3.47Å; V15-I19 PolarHBondContact O-N 3.44Å; T16-I19 PolarHBondContact O-N 3.37Å; I19-S21 VanDerWaalsContact C-N 3.34Å; I19-S21 PolarHBondContact O-N 3.25Å; I19-L22 PolarHBondContact O-N 2.85Å; I19-I23 HydrophobicContact CG2-CD1 3.78Å; I19-I23 HydrophobicContact CG2-CG1 4.45Å; I19-I23 VanDerWaalsContact O-CG1 3.28Å; I19-I23 WeakPolarHBondContact O-CG1 3.38Å; I19-I23 PolarHBondContact O-N 3.25Å
20	L	70.4	Confident	67.9	Low	109 Å²	109	97.9 Å²	97.9	57%	0.571	52%	0.523	S	S	*	.	H	α-helix	trans	-64	-39.1	177.1	-73.1	167.4	0	0	0	112.1	T16 L17 I23 S24	T16-L20 WeakPolarHBondContact O-CB 3.34Å; T16-L20 VanDerWaalsContact O-CG 3.32Å; T16-L20 WeakPolarHBondContact O-CG 3.37Å; T16-L20 PolarHBondContact O-N 2.97Å; L17-L20 PolarHBondContact O-N 3.44Å; L20-I23 PolarHBondContact O-N 2.96Å; L20-S24 PolarHBondContact O-N 2.65Å
21	S	75.6	Confident	66.7	Low	70 Å²	70	98.1 Å²	98.1	49%	0.49	53%	0.526	S	S	.	.	H	α-helix	trans	-59.5	-46.9	172	164.5	0	0	0	0	111.7	L17 L18 I19 S24 Y25	L17-S21 VanDerWaalsContact O-CB 3.26Å; L17-S21 WeakPolarHBondContact O-CB 3.35Å; L17-S21 PolarHBondContact O-N 3.24Å; L18-S21 WeakPolarHBondContact O-CB 3.46Å; L18-S21 PolarHBondContact O-N 3.44Å; I19-S21 VanDerWaalsContact C-N 3.34Å; I19-S21 PolarHBondContact O-N 3.25Å; S21-S24 PolarHBondContact O-N 3.12Å; S21-Y25 WeakPolarHBondContact O-CB 3.2Å; S21-Y25 PolarHBondContact O-N 3.27Å
22	L	68.1	Low	65.1	Low	115 Å²	115	102.6 Å²	102.6	60%	0.602	54%	0.539	S	S	*	.	H	α-helix	trans	-64.7	-41.7	179.1	-133.7	90.1	0	0	0	112	L18 I19 Y25 V26	L18-L22 WeakPolarHBondContact O-CB 3.49Å; L18-L22 PolarHBondContact O-N 3.11Å; I19-L22 PolarHBondContact O-N 2.85Å; L22-Y25 PolarHBondContact O-N 3.03Å; L22-V26 WeakPolarHBondContact O-CB 3.5Å; L22-V26 VanDerWaalsContact O-CG2 3.28Å; L22-V26 WeakPolarHBondContact O-CG2 3.49Å; L22-V26 PolarHBondContact O-N 3.33Å
23	I	70.1	Confident	63.6	Low	101 Å²	101	102.9 Å²	102.9	52%	0.518	54%	0.542	S	S	.	.	H	α-helix	trans	-63.1	-42.9	176.8	-68.2	166.6	0	0	0	110.4	I19 L20 V26 S27	I19-I23 HydrophobicContact CG2-CD1 3.78Å; I19-I23 HydrophobicContact CG2-CG1 4.45Å; I19-I23 VanDerWaalsContact O-CG1 3.28Å; I19-I23 WeakPolarHBondContact O-CG1 3.38Å; I19-I23 PolarHBondContact O-N 3.25Å; L20-I23 PolarHBondContact O-N 2.96Å; I23-V26 PolarHBondContact O-N 3.38Å; I23-S27 WeakPolarHBondContact O-CB 2.79Å; I23-S27 PolarHBondContact O-N 3.01Å
24	S	66.3	Low	62.1	Low	69 Å²	69	105.8 Å²	105.8	48%	0.483	55%	0.55	S	S	.	*	H	α-helix	trans	-61.5	-45.8	173.8	-110	0	0	0	0	112	L20 S21 V26 S27 I28	L20-S24 PolarHBondContact O-N 2.65Å; S21-S24 PolarHBondContact O-N 3.12Å; S24-V26 PolarHBondContact O-N 3.01Å; S24-S27 PolarHBondContact O-N 3.07Å; S24-I28 WeakPolarHBondContact O-CD1 3.43Å; S24-I28 VanDerWaalsContact O-CG1 3.25Å; S24-I28 WeakPolarHBondContact O-CG1 3.45Å; S24-I28 PolarHBondContact O-N 3.27Å
25	Y	67.1	Low	60.4	Low	146 Å²	146	108.2 Å²	108.2	57%	0.573	56%	0.563	S	S	*	*	H	α-helix	trans	-61.9	-42.8	178.7	-179.3	-97.8	0	0	0	112.3	S21 L22 I28 K29	S21-Y25 WeakPolarHBondContact O-CB 3.2Å; S21-Y25 PolarHBondContact O-N 3.27Å; L22-Y25 PolarHBondContact O-N 3.03Å; Y25-I28 PolarHBondContact O-N 2.79Å; Y25-K29 HydrophobicContact CE1-CD 4.36Å; Y25-K29 WeakPolarHBondContact O-CB 3.48Å; Y25-K29 PolarHBondContact O-N 2.69Å
26	V	62.5	Low	58	Low	87 Å²	87	111.7 Å²	111.7	53%	0.527	59%	0.585	S	S	.	*	H	α-helix	trans	-68.2	-38.5	177.8	173.2	0	0	0	0	111.6	L22 I23 S24 K29 K30	L22-V26 WeakPolarHBondContact O-CB 3.5Å; L22-V26 VanDerWaalsContact O-CG2 3.28Å; L22-V26 WeakPolarHBondContact O-CG2 3.49Å; L22-V26 PolarHBondContact O-N 3.33Å; I23-V26 PolarHBondContact O-N 3.38Å; S24-V26 PolarHBondContact O-N 3.01Å; V26-K29 PolarHBondContact O-N 3.49Å; V26-K30 WeakPolarHBondContact O-CB 3.49Å; V26-K30 PolarHBondContact O-N 3.34Å
27	S	51.5	Low	56	Low	67 Å²	67	114.2 Å²	114.2	47%	0.469	60%	0.602	S	S	.	*	H	α-helix	trans	-63.9	-45.2	173.8	-85	0	0	0	0	112.4	I23 S24 K29 K30 D31	I23-S27 WeakPolarHBondContact O-CB 2.79Å; I23-S27 PolarHBondContact O-N 3.01Å; S24-S27 PolarHBondContact O-N 3.07Å; S27-K29 VanDerWaalsContact C-N 3.32Å; S27-K29 PolarHBondContact O-N 3.3Å; S27-K30 WeakPolarHBondContact O-CB 3.44Å; S27-K30 PolarHBondContact O-N 3.2Å; S27-D31 PolarHBondContact O-N 3.36Å; S27-D31 VanDerWaalsContact O-N 3.15Å
28	I	52.9	Low	54	Low	106 Å²	106	118.4 Å²	118.4	54%	0.544	62%	0.616	S	S	.	*	H	α-helix	trans	-62.2	-40.3	177.9	-68.5	164.9	0	0	0	111	S24 Y25 K30 D31 F32	S24-I28 WeakPolarHBondContact O-CD1 3.43Å; S24-I28 VanDerWaalsContact O-CG1 3.25Å; S24-I28 WeakPolarHBondContact O-CG1 3.45Å; S24-I28 PolarHBondContact O-N 3.27Å; Y25-I28 PolarHBondContact O-N 2.79Å; I28-K30 VanDerWaalsContact C-N 3.34Å; I28-D31 PolarHBondContact O-N 3.04Å; I28-F32 PolarHBondContact O-N 2.82Å
29	K	45.2	Very low	51.7	Low	116 Å²	116	123.5 Å²	123.5	50%	0.504	63%	0.629	S	S	.	*	H	α-helix	trans	-71.1	-30.2	178.6	-156.7	177.1	-175.7	178.6	0	112.5	Y25 V26 S27 F32 L33	Y25-K29 HydrophobicContact CE1-CD 4.36Å; Y25-K29 WeakPolarHBondContact O-CB 3.48Å; Y25-K29 PolarHBondContact O-N 2.69Å; V26-K29 PolarHBondContact O-N 3.49Å; S27-K29 VanDerWaalsContact C-N 3.32Å; S27-K29 PolarHBondContact O-N 3.3Å; K29-F32 PolarHBondContact O-N 2.84Å; K29-L33 PolarHBondContact O-N 2.91Å
30	K	43.7	Very low	49.4	Very low	135 Å²	135	123.2 Å²	123.2	59%	0.587	64%	0.64	S	S	*	*	H	α-helix	trans	-66.9	-38.6	174.8	-160.9	178	-178.5	177.6	0	111.3	V26 S27 I28 F32 L33 F34	V26-K30 WeakPolarHBondContact O-CB 3.49Å; V26-K30 PolarHBondContact O-N 3.34Å; S27-K30 WeakPolarHBondContact O-CB 3.44Å; S27-K30 PolarHBondContact O-N 3.2Å; I28-K30 VanDerWaalsContact C-N 3.34Å; K30-F32 VanDerWaalsContact C-N 3.31Å; K30-F32 PolarHBondContact O-N 2.86Å; K30-L33 PolarHBondContact O-N 2.99Å; K30-F34 HydrophobicContact CG-CE2 4.37Å; K30-F34 WeakPolarHBondContact O-CD2 3.36Å
31	D	44.3	Very low	47.5	Very low	119 Å²	119	123.1 Å²	123.1	64%	0.636	65%	0.649	S	S	*	*	H	α-helix	trans	-69.2	-29.7	175.4	-67.8	-25.8	0	0	0	112.5	S27 I28 T35	S27-D31 PolarHBondContact O-N 3.36Å; S27-D31 VanDerWaalsContact O-N 3.15Å; I28-D31 PolarHBondContact O-N 3.04Å; D31-T35 PolarHBondContact O-OG1 3.2Å
32	F	42.1	Very low	45.2	Very low	173 Å²	173	125.6 Å²	125.6	76%	0.759	67%	0.666	S	S	*	*	H	α-helix	trans	-74.4	-24.5	176.8	-122.7	-86.8	0	0	0	114.2	I28 K29 K30	I28-F32 PolarHBondContact O-N 2.82Å; K29-F32 PolarHBondContact O-N 2.84Å; K30-F32 VanDerWaalsContact C-N 3.31Å; K30-F32 PolarHBondContact O-N 2.86Å
33	L	39.7	Very low	43.4	Very low	133 Å²	133	124.2 Å²	124.2	70%	0.696	68%	0.68	S	S	*	*	H	α-helix	trans	-84.9	-15.8	-179.8	-81.5	160.8	0	0	0	113.7	K29 K30	K29-L33 PolarHBondContact O-N 2.91Å; K30-L33 PolarHBondContact O-N 2.99Å
34	F	41.7	Very low	41.4	Very low	168 Å²	168	123 Å²	123	74%	0.737	69%	0.693	S	S	*	*	S	Bend	trans	-103.9	11.3	-177.2	-77.3	-71	0	0	0	115.2	K30	K30-F34 HydrophobicContact CG-CE2 4.37Å; K30-F34 WeakPolarHBondContact O-CD2 3.36Å
35	T	37.6	Very low	39.8	Very low	107 Å²	107	126 Å²	126	66%	0.656	71%	0.713	S	S	*	*			trans	-128.2	86	175.3	46.1	0	0	0	0	111.5	D31	D31-T35 PolarHBondContact O-OG1 3.2Å
36	T	31.3	Very low	37.9	Very low	141 Å²	141	129.2 Å²	129.2	87%	0.865	73%	0.725	S	S	*	*			trans	-107.7	119.3	159.4	36.1	0	0	0	0	109.4
37	P	35.2	Very low	36.2	Very low	125 Å²	125	134.3 Å²	134.3	81%	0.812	75%	0.745	S	S	*	*			trans	-100.9	135.1	158.4	13.9	4.6	0	0	0	111
38	K	33.2	Very low	35.1	Very low	195 Å²	195	140.6 Å²	140.6	85%	0.848	76%	0.76	S	S	*	*			trans	-74.6	134.5	169.1	-85	177.2	176.2	178.3	0	110.9
39	Y	29.8	Very low	33.8	Very low	219 Å²	219	143.2 Å²	143.2	86%	0.859	77%	0.772	S	S	*	*			trans	74.8	127.7	150.6	-85.2	-87.4	0	0	0	124
40	A	29.2	Very low	33	Very low	86 Å²	86	146.7 Å²	146.7	71%	0.711	79%	0.787	S	S	*	*			trans	84.8	104.1	134.8	0	0	0	0	0	123.4
41	S	29.3	Very low	32.3	Very low	108 Å²	108	148.5 Å²	148.5	76%	0.755	80%	0.797	S	S	*	*				61.1	126.4	129.8	76.7	0	0	0	0	124.7
42	S	28.8	Very low	31.7	Very low	121 Å²	121	149.5 Å²	149.5	85%	0.846	81%	0.808	S	S	*	*			trans	92.6	118.5	139.9	92.3	0	0	0	0	119.7
43	G	30.6	Very low	31.1	Very low	86 Å²	86	144 Å²	144	89%	0.887	80%	0.799	S	S	*	*			trans	91.2	108.6	137.5	0	0	0	0	0	118.3
44	G	27.6	Very low	30.9	Very low	77 Å²	77	148.3 Å²	148.3	79%	0.794	81%	0.813	S	S	*	*			trans	123.6	113.2	148.5	0	0	0	0	0	116.1	R46	G44-R46 PolarHBondContact O-N 2.87Å
45	S	31.4	Very low	30.4	Very low	131 Å²	131	149.8 Å²	149.8	92%	0.916	81%	0.814	S	S	*	*			trans	-58.2	122.7	170.8	-52.2	0	0	0	0	111.5
46	R	29	Very low	30.3	Very low	214 Å²	214	148 Å²	148	81%	0.808	81%	0.806	S	S	*	*			trans	-128	117.2	163.9	-92.3	-177.5	165.1	178.8	-3.4	109.8	G44 Y48	G44-R46 PolarHBondContact O-N 2.87Å; R46-Y48 VanDerWaalsContact O-CD2 3.31Å; R46-Y48 WeakPolarHBondContact O-CD2 3.41Å; R46-Y48 PolarHBondContact O-N 2.66Å
47	M	26.4	Very low	30.5	Very low	193 Å²	193	149.5 Å²	149.5	95%	0.951	80%	0.803	S	S	*	*			trans	-60.8	112.1	172.4	-130.2	161.6	90.9	0	0	108.6	M49	M47-M49 PolarHBondContact O-N 2.69Å
48	Y	27.5	Very low	30.6	Very low	200 Å²	200	150.1 Å²	150.1	78%	0.784	80%	0.799	S	S	*	*			trans	-87	104.8	170.1	-72	-82.3	0	0	0	108.3	R46 F50	R46-Y48 VanDerWaalsContact O-CD2 3.31Å; R46-Y48 WeakPolarHBondContact O-CD2 3.41Å; R46-Y48 PolarHBondContact O-N 2.66Å; Y48-F50 PolarHBondContact O-N 2.84Å
49	M	26.7	Very low	30.5	Very low	161 Å²	161	143.2 Å²	143.2	79%	0.793	78%	0.778	S	S	*	*			trans	-64.3	110.6	167	-166.9	-177.9	-83.2	0	0	107.6	M47 H51	M47-M49 PolarHBondContact O-N 2.69Å; M49-H51 PolarHBondContact O-N 3.14Å
50	F	27.1	Very low	30.7	Very low	189 Å²	189	138.1 Å²	138.1	83%	0.829	76%	0.763	S	S	*	*			trans	-67.8	100	173.8	-82	-89	0	0	0	109.2	Y48 T52	Y48-F50 PolarHBondContact O-N 2.84Å; F50-T52 PolarHBondContact O-N 3.37Å
51	H	29.5	Very low	31.2	Very low	172 Å²	172	141.9 Å²	141.9	80%	0.796	76%	0.764	S	S	*	*			trans	-79.6	98.8	159.9	-97.4	-65.7	0	0	0	108.7	M49 G53	M49-H51 PolarHBondContact O-N 3.14Å; H51-G53 PolarHBondContact O-N 3.16Å; H51-G53 VanDerWaalsContact O-N 3.15Å
52	T	31.2	Very low	31.5	Very low	140 Å²	140	146.3 Å²	146.3	86%	0.859	77%	0.765	S	S	*	*			trans	-65.6	104	160.6	41.8	0	0	0	0	108.4	F50	F50-T52 PolarHBondContact O-N 3.37Å
53	G	30.1	Very low	31.9	Very low	57 Å²	57	146.3 Å²	146.3	59%	0.588	76%	0.755	S	S	*	*			trans	-161.1	84.5	178.9	0	0	0	0	0	110.6	H51 R55	H51-G53 PolarHBondContact O-N 3.16Å; H51-G53 VanDerWaalsContact O-N 3.15Å; G53-R55 PolarHBondContact O-N 2.66Å
54	F	34.9	Very low	32.3	Very low	225 Å²	225	145.9 Å²	145.9	99%	0.987	73%	0.732	S	S	*	*			trans	-67	80.2	165.5	-132.4	-94	0	0	0	108
55	R	33.1	Very low	32.7	Very low	199 Å²	199	146.9 Å²	146.9	75%	0.751	73%	0.725	S	S	*	*			trans	-90.7	106	170.9	-82.2	-171.5	171.3	-161.1	-0.4	108.2	G53 Q57	G53-R55 PolarHBondContact O-N 2.66Å; R55-Q57 PolarHBondContact O-N 3.26Å
56	S	33.6	Very low	33.3	Very low	69 Å²	69	143.8 Å²	143.8	48%	0.483	71%	0.708	S	S	.	*			trans	-47.9	112.6	167.6	174.1	0	0	0	0	110	L58 A59	S56-L58 PolarHBondContact O-N 2.86Å; S56-L58 VanDerWaalsContact O-N 3.08Å; S56-L58 WeakPolarHBondContact OG-CB 3.43Å; S56-L58 PolarHBondContact OG-N 3.43Å; S56-A59 PolarHBondContact O-N 3.09Å
57	Q	36	Very low	33.9	Very low	172 Å²	172	136.6 Å²	136.6	80%	0.804	68%	0.682	S	S	*	*	H	α-helix	trans	-60.2	-15	173.3	-69.9	179.6	-8.9	0	0	112.3	R55	R55-Q57 PolarHBondContact O-N 3.26Å
58	L	37.4	Very low	34.6	Very low	138 Å²	138	131.4 Å²	131.4	72%	0.723	66%	0.661	S	S	*	*	H	α-helix	trans	-73.4	-34.8	174.9	-140.5	83	0	0	0	112.3	S56	S56-L58 PolarHBondContact O-N 2.86Å; S56-L58 VanDerWaalsContact O-N 3.08Å; S56-L58 WeakPolarHBondContact OG-CB 3.43Å; S56-L58 PolarHBondContact OG-N 3.43Å
59	A	31.8	Very low	35.3	Very low	50 Å²	50	125.4 Å²	125.4	41%	0.413	65%	0.647	S	S	.	*	H	α-helix	trans	-79.8	-35.3	-178.2	0	0	0	0	0	112.5	S56 K61 Y62 L63	S56-A59 PolarHBondContact O-N 3.09Å; A59-K61 PolarHBondContact O-N 3.18Å; A59-Y62 PolarHBondContact O-N 2.95Å; A59-L63 WeakPolarHBondContact O-CB 3.08Å; A59-L63 WeakPolarHBondContact O-CG 3.34Å; A59-L63 PolarHBondContact O-N 3.1Å
60	M	33.3	Very low	36.3	Very low	112 Å²	112	119.8 Å²	119.8	55%	0.552	62%	0.62	S	S	*	*	H	α-helix	trans	-66.5	-21.2	175.5	-84.7	-86.1	-69	0	0	113.5	L63 D64	M60-L63 CarbonylContact O-C 3.57Å; M60-D64 PolarHBondContact O-N 2.79Å
61	K	40.2	Very low	37.6	Very low	166 Å²	166	112.5 Å²	112.5	72%	0.722	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-24.6	176.1	-100.5	-177.6	175.2	178.9	0	114.1	A59	A59-K61 PolarHBondContact O-N 3.18Å
62	Y	35.6	Very low	38.6	Very low	200 Å²	200	111 Å²	111	78%	0.784	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	-14.3	172.9	-88.5	-84.7	0	0	0	112.9	A59	A59-Y62 PolarHBondContact O-N 2.95Å
63	L	37.4	Very low	39.6	Very low	121 Å²	121	106.3 Å²	106.3	63%	0.634	56%	0.557	S	S	*	*			trans	-115.8	35.4	-176.9	-65.3	168.7	0	0	0	110.9	A59 M60 P65	A59-L63 WeakPolarHBondContact O-CB 3.08Å; A59-L63 WeakPolarHBondContact O-CG 3.34Å; A59-L63 PolarHBondContact O-N 3.1Å; M60-L63 CarbonylContact O-C 3.57Å; L63-P65 WeakPolarHBondContact O-CD 3.28Å
64	D	39.7	Very low	41.1	Very low	77 Å²	77	104.2 Å²	104.2	41%	0.412	53%	0.533	S	S	.	.			trans	-71	109.2	162.2	-174.1	-11.9	0	0	0	107.1	M60 A66 F67 T68	M60-D64 PolarHBondContact O-N 2.79Å; D64-A66 PolarHBondContact O-N 2.89Å; D64-A66 VanDerWaalsContact OD1-CB 3.31Å; D64-A66 WeakPolarHBondContact OD1-CB 3.44Å; D64-A66 PolarHBondContact OD1-N 3.04Å; D64-F67 HydrophobicContact CB-CB 4.45Å; D64-F67 PolarHBondContact O-N 2.88Å; D64-T68 PolarHBondContact O-OG1 3.26Å
65	P	35.6	Very low	42.2	Very low	99 Å²	99	96 Å²	96	64%	0.643	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	2.7	179.8	31.7	-34.9	0	0	0	112.4	L63 P69	L63-P65 WeakPolarHBondContact O-CD 3.28Å; P65-P69 WeakPolarHBondContact O-CD 3.47Å; P65-P69 WeakPolarHBondContact O-CG 3.24Å
66	A	42.6	Very low	43.3	Very low	66 Å²	66	90.8 Å²	90.8	55%	0.545	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-19.9	164.7	0	0	0	0	0	113.4	D64	D64-A66 PolarHBondContact O-N 2.89Å; D64-A66 VanDerWaalsContact OD1-CB 3.31Å; D64-A66 WeakPolarHBondContact OD1-CB 3.44Å; D64-A66 PolarHBondContact OD1-N 3.04Å
67	F	42.7	Very low	44.5	Very low	62 Å²	62	91.2 Å²	91.2	27%	0.272	48%	0.479	S	S	.	.	H	α-helix	trans	-91.8	-35.8	-175.2	-128.7	-96.1	0	0	0	113.1	D64 L70 T71 F319 W321	D64-F67 HydrophobicContact CB-CB 4.45Å; D64-F67 PolarHBondContact O-N 2.88Å; F67-L70 PolarHBondContact O-N 3.12Å; F67-T71 PolarHBondContact O-N 3.1Å; F67-T71 PolarHBondContact O-OG1 3Å; F67-F319 HydrophobicContact CE1-CD1 4.34Å; F67-F319 HydrophobicContact CZ-CD1 4.41Å; F67-W321 HydrophobicContact CD1-CH2 4.13Å; F67-W321 HydrophobicContact CD1-CZ3 4.47Å; F67-W321 AromaticContact CE1-CH2 3.72Å; F67-W321 HydrophobicContact CE1-CH2 3.72Å; F67-W321 AromaticContact CE1-CZ3 3.98Å; F67-W321 HydrophobicContact CE1-CZ3 3.98Å
68	T	41.1	Very low	45.7	Very low	84 Å²	84	84.6 Å²	84.6	52%	0.515	45%	0.449	S	S	.	.	H	α-helix	trans	-71.7	-33.5	176.7	13.2	0	0	0	0	115.3	D64 L70 T71	D64-T68 PolarHBondContact O-OG1 3.26Å; T68-L70 VanDerWaalsContact C-N 3.35Å; T68-T71 WeakPolarHBondContact CA-OG1 3.36Å; T68-T71 PolarHBondContact O-OG1 3.08Å
69	P	42.2	Very low	46.7	Very low	74 Å²	74	84.7 Å²	84.7	48%	0.481	45%	0.446	S	S	.	.	H	α-helix	trans	-72	-33.6	171.4	-16.7	30.2	0	0	0	111.3	P65 A73	P65-P69 WeakPolarHBondContact O-CD 3.47Å; P65-P69 WeakPolarHBondContact O-CG 3.24Å; P69-A73 WeakPolarHBondContact O-CB 3.44Å; P69-A73 PolarHBondContact O-N 2.94Å
70	L	46.5	Very low	47.7	Very low	44 Å²	44	89.8 Å²	89.8	23%	0.23	46%	0.461	C	S	.	.	H	α-helix	trans	-64.5	-45	178.3	-167.5	71.6	0	0	0	110.2	F67 T68 L74 F319 P352	F67-L70 PolarHBondContact O-N 3.12Å; T68-L70 VanDerWaalsContact C-N 3.35Å; L70-L74 HydrophobicContact CD1-CD1 3.89Å; L70-L74 HydrophobicContact CG-CD1 4.06Å; L70-L74 WeakPolarHBondContact O-CB 3.46Å; L70-L74 PolarHBondContact O-N 3.18Å; L70-F319 HydrophobicContact CD2-CE1 3.83Å; L70-F319 HydrophobicContact CD2-CZ 3.91Å; L70-P352 HydrophobicContact CD2-CB 4.28Å
71	T	55.2	Low	48.6	Very low	35 Å²	35	88 Å²	88	22%	0.215	45%	0.454	C	S	.	.	H	α-helix	trans	-60.6	-47.5	178.9	35.8	0	0	0	0	113.8	F67 T68 N75 W321	F67-T71 PolarHBondContact O-N 3.1Å; F67-T71 PolarHBondContact O-OG1 3Å; T68-T71 WeakPolarHBondContact CA-OG1 3.36Å; T68-T71 PolarHBondContact O-OG1 3.08Å; T71-N75 VanDerWaalsContact O-CB 3.3Å; T71-N75 WeakPolarHBondContact O-CB 3.23Å; T71-N75 PolarHBondContact O-N 3.24Å; T71-N75 VanDerWaalsContact O-N 3.08Å; T71-N75 PolarHBondContact O-ND2 3.32Å; T71-N75 PolarHBondContact O-OD1 2.94Å; T71-W321 HydrophobicContact CG2-CH2 3.43Å; T71-W321 VanDerWaalsContact CG2-CH2 3.43Å; T71-W321 HydrophobicContact CG2-CZ2 3.13Å; T71-W321 HydrophobicContact CG2-CZ3 4.27Å
72	K	50.7	Low	49.2	Very low	142 Å²	142	86 Å²	86	62%	0.617	46%	0.455	S	S	*	.	H	α-helix	trans	-68.5	-46.5	-179.2	-164.4	-178.8	179.6	-165.9	0	111.2	N75 E76	K72-N75 PolarHBondContact O-N 3.19Å; K72-E76 WeakPolarHBondContact CE-OE1 3.3Å; K72-E76 IonicContact NZ-OE1 3.98Å; K72-E76 WeakPolarHBondContact O-CB 3.47Å; K72-E76 WeakPolarHBondContact O-CG 3.36Å; K72-E76 PolarHBondContact O-N 3.46Å
73	A	53	Low	50.2	Low	40 Å²	40	80.4 Å²	80.4	33%	0.331	45%	0.446	S	S	.	.	H	α-helix	trans	-66.8	-38.6	178.4	0	0	0	0	0	112.8	P69 I77	P69-A73 WeakPolarHBondContact O-CB 3.44Å; P69-A73 PolarHBondContact O-N 2.94Å; A73-I77 VanDerWaalsContact O-CB 3.27Å; A73-I77 WeakPolarHBondContact O-CB 3.34Å; A73-I77 VanDerWaalsContact O-CD1 3.28Å; A73-I77 WeakPolarHBondContact O-CD1 3.27Å; A73-I77 WeakPolarHBondContact O-CG1 3.28Å; A73-I77 PolarHBondContact O-N 3.2Å
74	L	60	Low	52.1	Low	14 Å²	14	83.9 Å²	83.9	7%	0.073	46%	0.456	C	S	.	.	H	α-helix	trans	-64	-43.3	175.1	-130.6	88	0	0	0	110.7	L70 I77 I78 W317 F319 F355	L70-L74 HydrophobicContact CD1-CD1 3.89Å; L70-L74 HydrophobicContact CG-CD1 4.06Å; L70-L74 WeakPolarHBondContact O-CB 3.46Å; L70-L74 PolarHBondContact O-N 3.18Å; L74-I77 PolarHBondContact O-N 2.99Å; L74-I78 HydrophobicContact CD2-CD1 4.01Å; L74-I78 HydrophobicContact CG-CD1 4.22Å; L74-I78 VanDerWaalsContact O-CB 3.3Å; L74-I78 WeakPolarHBondContact O-CB 3.46Å; L74-I78 WeakPolarHBondContact O-CD1 3.49Å; L74-I78 WeakPolarHBondContact O-CG1 3.05Å; L74-I78 PolarHBondContact O-N 3.42Å; L74-W317 HydrophobicContact CD2-CH2 3.76Å; L74-W317 HydrophobicContact CD2-CZ3 3.63Å; L74-F319 HydrophobicContact CD2-CE2 3.87Å; L74-F319 HydrophobicContact CD2-CZ 4.39Å; L74-F355 HydrophobicContact CD1-CE1 4.27Å; L74-F355 HydrophobicContact CD2-CD1 4.35Å; L74-F355 HydrophobicContact CD2-CE1 3.62Å; L74-F355 HydrophobicContact CD2-CZ 4.25Å; L74-F355 HydrophobicContact CG-CE1 4.23Å
75	N	58.8	Low	54.6	Low	53 Å²	53	83.1 Å²	83.1	28%	0.283	45%	0.447	S	S	.	.	H	α-helix	trans	-67.2	-41.1	-178.6	-72.5	-8.3	0	0	0	111.1	T71 K72 I78 Q79	T71-N75 VanDerWaalsContact O-CB 3.3Å; T71-N75 WeakPolarHBondContact O-CB 3.23Å; T71-N75 PolarHBondContact O-N 3.24Å; T71-N75 VanDerWaalsContact O-N 3.08Å; T71-N75 PolarHBondContact O-ND2 3.32Å; T71-N75 PolarHBondContact O-OD1 2.94Å; K72-N75 PolarHBondContact O-N 3.19Å; N75-I78 PolarHBondContact O-N 2.78Å; N75-Q79 VanDerWaalsContact O-CB 3.3Å; N75-Q79 WeakPolarHBondContact O-CB 3.27Å; N75-Q79 VanDerWaalsContact O-CG 3.24Å; N75-Q79 WeakPolarHBondContact O-CG 3.48Å; N75-Q79 PolarHBondContact O-N 2.92Å
76	E	55.3	Low	57.4	Low	89 Å²	89	88.4 Å²	88.4	42%	0.416	45%	0.454	S	S	.	.	H	α-helix	trans	-61.4	-47.6	173	-73.3	168	179.5	0	0	110.9	K72 I78 Q79 E80	K72-E76 WeakPolarHBondContact CE-OE1 3.3Å; K72-E76 IonicContact NZ-OE1 3.98Å; K72-E76 WeakPolarHBondContact O-CB 3.47Å; K72-E76 WeakPolarHBondContact O-CG 3.36Å; K72-E76 PolarHBondContact O-N 3.46Å; E76-I78 PolarHBondContact O-N 3.2Å; E76-Q79 PolarHBondContact O-N 3.24Å; E76-E80 WeakPolarHBondContact O-CB 3.42Å; E76-E80 WeakPolarHBondContact O-CG 3.28Å; E76-E80 PolarHBondContact O-N 2.82Å
77	I	59.3	Low	60	Low	78 Å²	78	87.6 Å²	87.6	40%	0.4	44%	0.437	S	S	.	.	H	α-helix	trans	-63.8	-40.3	178.4	-69.9	165.8	0	0	0	112.3	A73 L74 N81 Y359	A73-I77 VanDerWaalsContact O-CB 3.27Å; A73-I77 WeakPolarHBondContact O-CB 3.34Å; A73-I77 VanDerWaalsContact O-CD1 3.28Å; A73-I77 WeakPolarHBondContact O-CD1 3.27Å; A73-I77 WeakPolarHBondContact O-CG1 3.28Å; A73-I77 PolarHBondContact O-N 3.2Å; L74-I77 PolarHBondContact O-N 2.99Å; I77-N81 WeakPolarHBondContact O-CB 3.34Å; I77-N81 PolarHBondContact O-N 3.44Å; I77-Y359 HydrophobicContact CG2-CD1 4.3Å; I77-Y359 HydrophobicContact CG2-CE1 3.28Å; I77-Y359 WeakPolarHBondContact CG2-OH 3.33Å; I77-Y359 PolarHBondContact O-OH 3.09Å
78	I	62	Low	62.7	Low	33 Å²	33	87.9 Å²	87.9	17%	0.169	44%	0.442	C	S	.	.	H	α-helix	trans	-67.8	-37.8	177.5	-71.2	165.7	0	0	0	110.8	L74 N75 E76 W317 P323 Y359 L371	L74-I78 HydrophobicContact CD2-CD1 4.01Å; L74-I78 HydrophobicContact CG-CD1 4.22Å; L74-I78 VanDerWaalsContact O-CB 3.3Å; L74-I78 WeakPolarHBondContact O-CB 3.46Å; L74-I78 WeakPolarHBondContact O-CD1 3.49Å; L74-I78 WeakPolarHBondContact O-CG1 3.05Å; L74-I78 PolarHBondContact O-N 3.42Å; N75-I78 PolarHBondContact O-N 2.78Å; E76-I78 PolarHBondContact O-N 3.2Å; I78-W317 HydrophobicContact CD1-CZ3 4.21Å; I78-P323 HydrophobicContact CD1-CB 4.44Å; I78-Y359 HydrophobicContact CG1-CE2 3.86Å; I78-L371 HydrophobicContact CD1-CD1 4.23Å
79	Q	57	Low	65.4	Low	140 Å²	140	89.7 Å²	89.7	65%	0.654	44%	0.439	S	S	*	.	H	α-helix	trans	-77.7	-35.6	-179.5	-73.5	179.5	-4.1	0	0	113.2	N75 E76 N81	N75-Q79 VanDerWaalsContact O-CB 3.3Å; N75-Q79 WeakPolarHBondContact O-CB 3.27Å; N75-Q79 VanDerWaalsContact O-CG 3.24Å; N75-Q79 WeakPolarHBondContact O-CG 3.48Å; N75-Q79 PolarHBondContact O-N 2.92Å; E76-Q79 PolarHBondContact O-N 3.24Å; Q79-N81 VanDerWaalsContact C-N 3.32Å; Q79-N81 PolarHBondContact O-N 3.48Å
80	E	52.9	Low	68	Low	156 Å²	156	91.2 Å²	91.2	73%	0.729	45%	0.447	S	S	*	.	H	α-helix	trans	-69.1	-29.5	177.7	-77.6	179.4	173.5	0	0	112.4	E76 T82	E76-E80 WeakPolarHBondContact O-CB 3.42Å; E76-E80 WeakPolarHBondContact O-CG 3.28Å; E76-E80 PolarHBondContact O-N 2.82Å; E80-T82 PolarHBondContact O-N 2.97Å
81	N	52.8	Low	70.4	Confident	75 Å²	75	90.2 Å²	90.2	40%	0.401	45%	0.446	S	S	.	.			trans	-97.3	48.9	-173.4	-133.8	-11.9	0	0	0	113.5	I77 Q79 S83 T363	I77-N81 WeakPolarHBondContact O-CB 3.34Å; I77-N81 PolarHBondContact O-N 3.44Å; Q79-N81 VanDerWaalsContact C-N 3.32Å; Q79-N81 PolarHBondContact O-N 3.48Å; N81-S83 PolarHBondContact O-N 3.26Å; N81-S83 PolarHBondContact OD1-OG 3.47Å; N81-T363 WeakPolarHBondContact ND2-CG2 3.28Å
82	T	53	Low	72.5	Confident	123 Å²	123	88.6 Å²	88.6	76%	0.755	44%	0.436	S	S	*	.			trans	-75.3	10.2	172.5	41.4	0	0	0	0	113.7	E80 K84	E80-T82 PolarHBondContact O-N 2.97Å; T82-K84 PolarHBondContact O-N 3.39Å
83	S	56.2	Low	74.7	Confident	84 Å²	84	85 Å²	85	59%	0.587	43%	0.426	S	S	*	.	S	Bend	trans	-63.2	132.9	169.4	72.1	0	0	0	0	109.4	N81 W85	N81-S83 PolarHBondContact O-N 3.26Å; N81-S83 PolarHBondContact OD1-OG 3.47Å; S83-W85 PolarHBondContact O-N 3.48Å
84	K	78.4	Confident	76.8	Confident	194 Å²	194	89.1 Å²	89.1	84%	0.843	44%	0.438	S	S	*	.			trans	-57	113.7	175.9	-77.6	-176.7	177.9	178.2	0	108.1	T82 R86	T82-K84 PolarHBondContact O-N 3.39Å; K84-R86 WeakPolarHBondContact O-CG 3.42Å; K84-R86 PolarHBondContact O-N 3.36Å
85	W	91.6	Very high	78.6	Confident	61 Å²	61	89 Å²	89	23%	0.231	44%	0.437	C	S	.	.			trans	-45.3	136.5	174.3	173.2	84.3	0	0	0	111	S83 Y87 E310 H362 I367 K368	S83-W85 PolarHBondContact O-N 3.48Å; W85-Y87 HydrophobicContact CH2-CD2 4.12Å; W85-Y87 HydrophobicContact CH2-CG 4.13Å; W85-Y87 HydrophobicContact CZ2-CD2 4.09Å; W85-Y87 HydrophobicContact CZ2-CG 4.48Å; W85-E310 HydrophobicContact CH2-CG 4.38Å; W85-E310 WeakPolarHBondContact CH2-OE1 3.43Å; W85-H362 AromaticContact CD1-CE1 3.15Å; W85-H362 AromaticContact CD1-ND1 3.19Å; W85-H362 AromaticContact CG-CE1 3.6Å; W85-H362 AromaticContact CG-ND1 3.98Å; W85-H362 AromaticContact NE1-CE1 3.93Å; W85-H362 AromaticContact NE1-ND1 3.53Å; W85-H362 PolarHBondContact NE1-O 2.95Å; W85-I367 PolarHBondContact NE1-O 3.09Å; W85-K368 HydrophobicContact CD2-CB 3.94Å; W85-K368 HydrophobicContact CD2-CG 3.84Å; W85-K368 HydrophobicContact CE3-CB 4.08Å; W85-K368 HydrophobicContact CE3-CD 4.06Å; W85-K368 HydrophobicContact CE3-CG 3.9Å; W85-K368 HydrophobicContact CG-CG 4.28Å; W85-K368 HydrophobicContact CH2-CB 3.82Å; W85-K368 HydrophobicContact CZ2-CB 3.68Å; W85-K368 HydrophobicContact CZ2-CG 4.49Å; W85-K368 HydrophobicContact CZ3-CB 4.03Å; W85-K368 HydrophobicContact CZ3-CD 4.21Å; W85-K368 HydrophobicContact CZ3-CG 4.24Å
86	R	94.8	Very high	80.4	Confident	210 Å²	210	88.8 Å²	88.8	79%	0.792	43%	0.432	S	S	*	.			trans	-127.2	133.7	177	-66.1	-172.4	-179.5	-167.9	-0.3	109.7	K84 N88 G365	K84-R86 WeakPolarHBondContact O-CG 3.42Å; K84-R86 PolarHBondContact O-N 3.36Å; R86-N88 PolarHBondContact O-N 3.15Å; R86-G365 WeakPolarHBondContact O-CA 3.44Å
87	Y	97.4	Very high	82.4	Confident	48 Å²	48	91 Å²	91	19%	0.188	44%	0.441	C	S	.	.			trans	-71.7	126.7	178.1	-177.3	-135.7	0	0	0	111.3	W85 R89 F92 E309 E310 G365	W85-Y87 HydrophobicContact CH2-CD2 4.12Å; W85-Y87 HydrophobicContact CH2-CG 4.13Å; W85-Y87 HydrophobicContact CZ2-CD2 4.09Å; W85-Y87 HydrophobicContact CZ2-CG 4.48Å; Y87-R89 HydrophobicContact CD1-CB 4.34Å; Y87-R89 HydrophobicContact CE1-CB 3.78Å; Y87-R89 HydrophobicContact CE1-CG 4.19Å; Y87-F92 HydrophobicContact CE2-CB 3.82Å; Y87-F92 HydrophobicContact CE2-CG 4.13Å; Y87-F92 WeakPolarHBondContact OH-CB 3.3Å; Y87-F92 WeakPolarHBondContact OH-CD1 3.4Å; Y87-F92 WeakPolarHBondContact OH-CG 3.21Å; Y87-E309 VanDerWaalsContact CZ-O 3.27Å; Y87-E309 PolarHBondContact OH-O 3.03Å; Y87-E310 HydrophobicContact CD1-CB 4.38Å; Y87-E310 HydrophobicContact CD1-CG 4.07Å; Y87-E310 WeakPolarHBondContact CD1-OE2 3.3Å; Y87-E310 HydrophobicContact CD2-CG 4.02Å; Y87-E310 HydrophobicContact CE1-CB 4.02Å; Y87-E310 HydrophobicContact CE1-CG 4.15Å; Y87-E310 HydrophobicContact CE2-CB 4.48Å; Y87-E310 HydrophobicContact CE2-CG 4.14Å; Y87-E310 HydrophobicContact CG-CG 4.04Å; Y87-G365 VanDerWaalsContact CD2-O 3.32Å; Y87-G365 WeakPolarHBondContact CD2-O 3.24Å
88	N	97.7	Very high	84.3	Confident	69 Å²	69	90.1 Å²	90.1	37%	0.369	44%	0.435	S	S	.	.			trans	-104.4	86.7	174.3	-173.1	-12.9	0	0	0	109.9	R86 T90 A91 F92 G365	R86-N88 PolarHBondContact O-N 3.15Å; N88-T90 VanDerWaalsContact C-N 3.28Å; N88-T90 PolarHBondContact O-N 3.08Å; N88-T90 PolarHBondContact OD1-N 3.4Å; N88-A91 HydrophobicContact CB-CB 4.16Å; N88-A91 WeakPolarHBondContact ND2-CB 3.28Å; N88-A91 PolarHBondContact O-N 2.79Å; N88-A91 PolarHBondContact OD1-N 3.01Å; N88-F92 PolarHBondContact O-N 3.37Å; N88-G365 PolarHBondContact N-O 3.46Å
89	R	97.8	Very high	86	Confident	121 Å²	121	88.7 Å²	88.7	46%	0.457	43%	0.427	S	S	.	.	H	α-helix	trans	-56.6	-39.8	-178	-175.8	-177.7	-69.8	-93.9	-0.2	113	Y87 F92 T93 E309	Y87-R89 HydrophobicContact CD1-CB 4.34Å; Y87-R89 HydrophobicContact CE1-CB 3.78Å; Y87-R89 HydrophobicContact CE1-CG 4.19Å; R89-F92 PolarHBondContact O-N 3.13Å; R89-T93 WeakPolarHBondContact O-CB 3.17Å; R89-T93 PolarHBondContact O-N 3.48Å; R89-T93 PolarHBondContact O-OG1 3.18Å; R89-E309 IonicContact NH1-OE2 3.24Å; R89-E309 PolarHBondContact NH1-OE2 3.37Å
90	T	97.9	Very high	87.9	Confident	106 Å²	106	85.4 Å²	85.4	65%	0.65	42%	0.42	S	S	*	.	H	α-helix	trans	-65	-49.6	-178.3	-53.2	0	0	0	0	110.8	N88 F92 T93 E94	N88-T90 VanDerWaalsContact C-N 3.28Å; N88-T90 PolarHBondContact O-N 3.08Å; N88-T90 PolarHBondContact OD1-N 3.4Å; T90-F92 VanDerWaalsContact C-N 3.33Å; T90-F92 PolarHBondContact O-N 2.93Å; T90-T93 PolarHBondContact O-N 2.96Å; T90-E94 PolarHBondContact O-N 3.32Å
91	A	97.4	Very high	90	Very high	24 Å²	24	84.5 Å²	84.5	20%	0.198	42%	0.416	C	S	.	.	H	α-helix	trans	-63	-39.4	178.4	0	0	0	0	0	112.2	N88 E94 H95 L366	N88-A91 HydrophobicContact CB-CB 4.16Å; N88-A91 WeakPolarHBondContact ND2-CB 3.28Å; N88-A91 PolarHBondContact O-N 2.79Å; N88-A91 PolarHBondContact OD1-N 3.01Å; A91-E94 PolarHBondContact O-N 3.14Å; A91-H95 WeakPolarHBondContact O-CB 3.27Å; A91-H95 PolarHBondContact O-N 3.21Å; A91-L366 HydrophobicContact CB-CD1 3.8Å; A91-L366 HydrophobicContact CB-CG 4.36Å
92	F	98.3	Very high	92.2	Very high	0 Å²	0	83.7 Å²	83.7	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-65.8	-39.8	175.2	-179.1	-101.4	0	0	0	112.6	Y87 N88 R89 T90 E94 H95 R96 C308 E309 I311 L366	Y87-F92 HydrophobicContact CE2-CB 3.82Å; Y87-F92 HydrophobicContact CE2-CG 4.13Å; Y87-F92 WeakPolarHBondContact OH-CB 3.3Å; Y87-F92 WeakPolarHBondContact OH-CD1 3.4Å; Y87-F92 WeakPolarHBondContact OH-CG 3.21Å; N88-F92 PolarHBondContact O-N 3.37Å; R89-F92 PolarHBondContact O-N 3.13Å; T90-F92 VanDerWaalsContact C-N 3.33Å; T90-F92 PolarHBondContact O-N 2.93Å; F92-E94 VanDerWaalsContact C-N 3.34Å; F92-E94 PolarHBondContact O-N 2.78Å; F92-H95 WeakPolarHBondContact O-CB 3.48Å; F92-H95 PolarHBondContact O-N 2.87Å; F92-R96 WeakPolarHBondContact O-CB 3.49Å; F92-R96 PolarHBondContact O-N 3.29Å; F92-C308 VanDerWaalsContact CE1-O 3.23Å; F92-C308 WeakPolarHBondContact CE1-O 3.41Å; F92-C308 WeakPolarHBondContact CZ-O 3.38Å; F92-E309 WeakPolarHBondContact CE1-O 3.41Å; F92-I311 HydrophobicContact CE2-CD1 3.88Å; F92-I311 HydrophobicContact CE2-CG1 4.31Å; F92-I311 HydrophobicContact CZ-CD1 3.72Å; F92-I311 HydrophobicContact CZ-CG1 4.05Å; F92-L366 VanDerWaalsContact CD2-O 3.28Å; F92-L366 WeakPolarHBondContact CD2-O 3.15Å
93	T	97.8	Very high	94.3	Very high	67 Å²	67	78.3 Å²	78.3	41%	0.411	38%	0.376	S	S	.	.	H	α-helix	trans	-63.9	-41.1	176.7	-57.7	0	0	0	0	111.4	R89 T90 R96 K97	R89-T93 WeakPolarHBondContact O-CB 3.17Å; R89-T93 PolarHBondContact O-N 3.48Å; R89-T93 PolarHBondContact O-OG1 3.18Å; T90-T93 PolarHBondContact O-N 2.96Å; T93-R96 PolarHBondContact O-N 3.1Å; T93-K97 PolarHBondContact O-N 3.06Å; T93-K97 VanDerWaalsContact O-N 3.08Å
94	E	97.4	Very high	96.2	Very high	126 Å²	126	78.1 Å²	78.1	59%	0.589	37%	0.368	S	S	*	.	H	α-helix	trans	-64.3	-46	174.2	-175.4	163.6	-156.9	0	0	111.4	T90 A91 F92 R96 K97 E98	T90-E94 PolarHBondContact O-N 3.32Å; A91-E94 PolarHBondContact O-N 3.14Å; F92-E94 VanDerWaalsContact C-N 3.34Å; F92-E94 PolarHBondContact O-N 2.78Å; E94-R96 VanDerWaalsContact C-N 3.34Å; E94-R96 PolarHBondContact O-N 3.46Å; E94-K97 WeakPolarHBondContact O-CA 3.42Å; E94-K97 WeakPolarHBondContact O-CB 3.01Å; E94-K97 PolarHBondContact O-N 3.34Å; E94-E98 PolarHBondContact O-N 2.88Å
95	H	96.9	Very high	97.1	Very high	11 Å²	11	69.1 Å²	69.1	5%	0.051	33%	0.329	C	S	.	.	H	α-helix	trans	-57.5	-43.6	174.8	-173.3	92.8	0	0	0	112.7	A91 F92 K97 E98 I99 Y283 Y301 L366	A91-H95 WeakPolarHBondContact O-CB 3.27Å; A91-H95 PolarHBondContact O-N 3.21Å; F92-H95 WeakPolarHBondContact O-CB 3.48Å; F92-H95 PolarHBondContact O-N 2.87Å; H95-K97 VanDerWaalsContact C-N 3.29Å; H95-K97 PolarHBondContact O-N 2.88Å; H95-E98 PolarHBondContact O-N 3.31Å; H95-I99 WeakPolarHBondContact O-CG1 3.33Å; H95-I99 PolarHBondContact O-N 2.97Å; H95-I99 VanDerWaalsContact O-N 3.11Å; H95-Y283 PolarHBondContact CE1-OH 3.45Å; H95-Y283 PolarHBondContact ND1-OH 2.7Å; H95-Y283 VanDerWaalsContact ND1-OH 3.12Å; H95-Y283 PolarHBondContact NE2-OH 3.31Å; H95-Y283 VanDerWaalsContact NE2-OH 3.1Å; H95-Y301 PolarHBondContact CD2-OH 2.89Å; H95-Y301 AromaticContact NE2-CE1 3.53Å; H95-Y301 AromaticContact NE2-CZ 3.64Å; H95-Y301 PolarHBondContact NE2-OH 3.24Å; H95-L366 HydrophobicContact CB-CD2 3.82Å
96	R	97.4	Very high	97.2	Very high	49 Å²	49	67.5 Å²	67.5	19%	0.185	33%	0.329	C	S	.	.	H	α-helix	trans	-58.6	-41.7	174.2	178.9	-168.3	-68.8	169.2	-7.9	111.3	F92 T93 E94 I99 S100 S305 C308 E309	F92-R96 WeakPolarHBondContact O-CB 3.49Å; F92-R96 PolarHBondContact O-N 3.29Å; T93-R96 PolarHBondContact O-N 3.1Å; E94-R96 VanDerWaalsContact C-N 3.34Å; E94-R96 PolarHBondContact O-N 3.46Å; R96-I99 PolarHBondContact O-N 2.65Å; R96-S100 PolarHBondContact O-N 2.7Å; R96-S305 WeakPolarHBondContact CD-O 3.44Å; R96-S305 WeakPolarHBondContact CG-O 3.21Å; R96-S305 PolarHBondContact NE-O 2.94Å; R96-C308 PolarHBondContact NH2-O 3.01Å; R96-E309 IonicContact CZ-OE1 3.31Å; R96-E309 IonicContact NH1-OE1 2.66Å; R96-E309 PolarHBondContact NH1-OE1 2.98Å; R96-E309 IonicContact NH2-OE1 3.49Å; R96-E309 PolarHBondContact NH2-OE1 3.43Å
97	K	97.5	Very high	97.2	Very high	137 Å²	137	63.4 Å²	63.4	60%	0.596	32%	0.318	S	S	*	.	H	α-helix	trans	-66.2	-37.8	177.7	-173.7	-177.8	177.9	-176	0	112.2	T93 E94 H95 S100 Q101	T93-K97 PolarHBondContact O-N 3.06Å; T93-K97 VanDerWaalsContact O-N 3.08Å; E94-K97 WeakPolarHBondContact O-CA 3.42Å; E94-K97 WeakPolarHBondContact O-CB 3.01Å; E94-K97 PolarHBondContact O-N 3.34Å; H95-K97 VanDerWaalsContact C-N 3.29Å; H95-K97 PolarHBondContact O-N 2.88Å; K97-S100 PolarHBondContact O-N 2.02Å; K97-S100 PolarHBondContact O-OG 3.46Å; K97-Q101 WeakPolarHBondContact O-CG 3.3Å; K97-Q101 PolarHBondContact O-N 2.83Å
98	E	97.6	Very high	97.2	Very high	58 Å²	58	64 Å²	64	27%	0.271	33%	0.325	S	S	.	.	H	α-helix	trans	-64.4	-39.8	174.5	-65	178.9	153.2	0	0	112.1	E94 H95 Q101 H102 Y283 K287	E94-E98 PolarHBondContact O-N 2.88Å; H95-E98 PolarHBondContact O-N 3.31Å; E98-Q101 PolarHBondContact O-N 3.27Å; E98-H102 PolarHBondContact O-ND1 2.62Å; E98-Y283 HydrophobicContact CB-CE2 3.86Å; E98-K287 IonicContact OE1-NZ 2.7Å; E98-K287 PolarHBondContact OE1-NZ 2.84Å; E98-K287 WeakPolarHBondContact OE2-CE 3.49Å; E98-K287 IonicContact OE2-NZ 3.6Å; E98-K287 PolarHBondContact OE2-NZ 3.27Å
99	I	97.9	Very high	97.2	Very high	3 Å²	3	60.7 Å²	60.7	2%	0.015	31%	0.307	C	S	.	.	H	α-helix	trans	-62.6	-45.4	175.3	-67.4	171.2	0	0	0	110.3	H95 R96 Q101 H102 I103 I105 Y283 T302 S305	H95-I99 WeakPolarHBondContact O-CG1 3.33Å; H95-I99 PolarHBondContact O-N 2.97Å; H95-I99 VanDerWaalsContact O-N 3.11Å; R96-I99 PolarHBondContact O-N 2.65Å; I99-Q101 PolarHBondContact O-N 3.39Å; I99-H102 PolarHBondContact O-N 2.95Å; I99-I103 HydrophobicContact CG2-CG2 4.32Å; I99-I103 PolarHBondContact O-N 3.28Å; I99-I105 HydrophobicContact CG2-CD1 3.89Å; I99-Y283 HydrophobicContact CD1-CE1 3.9Å; I99-Y283 HydrophobicContact CG1-CD1 3.87Å; I99-Y283 HydrophobicContact CG1-CD2 4.07Å; I99-Y283 HydrophobicContact CG1-CE1 3.4Å; I99-Y283 VanDerWaalsContact CG1-CE1 3.4Å; I99-Y283 HydrophobicContact CG1-CE2 3.64Å; I99-Y283 HydrophobicContact CG1-CG 4.17Å; I99-T302 HydrophobicContact CG2-CG2 3.98Å; I99-S305 VanDerWaalsContact CD1-OG 3.3Å; I99-S305 WeakPolarHBondContact CD1-OG 3.24Å
100	S	97.3	Very high	97.2	Very high	71 Å²	71	55.1 Å²	55.1	50%	0.497	29%	0.286	S	S	.	.	H	α-helix	trans	-66.1	-22.6	-176.8	71.4	0	0	0	0	113.8	R96 K97 H102	R96-S100 PolarHBondContact O-N 2.7Å; K97-S100 PolarHBondContact O-N 2.02Å; K97-S100 PolarHBondContact O-OG 3.46Å; S100-H102 PolarHBondContact O-N 3.07Å
101	Q	97.7	Very high	97.2	Very high	137 Å²	137	51.2 Å²	51.2	64%	0.64	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-22	171	-70.6	169	-6.2	0	0	113.2	K97 E98 I99	K97-Q101 WeakPolarHBondContact O-CG 3.3Å; K97-Q101 PolarHBondContact O-N 2.83Å; E98-Q101 PolarHBondContact O-N 3.27Å; I99-Q101 PolarHBondContact O-N 3.39Å
102	H	97.9	Very high	97.3	Very high	59 Å²	59	51 Å²	51	27%	0.273	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-33.2	-177.6	-66.5	77.9	0	0	0	112.7	E98 I99 S100 Y283	E98-H102 PolarHBondContact O-ND1 2.62Å; I99-H102 PolarHBondContact O-N 2.95Å; S100-H102 PolarHBondContact O-N 3.07Å; H102-Y283 AromaticContact ND1-CD2 3.75Å
103	I	97.3	Very high	97.3	Very high	10 Å²	10	55.3 Å²	55.3	5%	0.051	27%	0.274	C	S	.	.			trans	-152	129.8	-178.8	-177.3	166.2	0	0	0	111	I99 I105 N108 I276 I280	I99-I103 HydrophobicContact CG2-CG2 4.32Å; I99-I103 PolarHBondContact O-N 3.28Å; I103-I105 HydrophobicContact CG1-CG1 4.44Å; I103-I105 HydrophobicContact CG2-CD1 4.41Å; I103-I105 HydrophobicContact CG2-CG1 3.88Å; I103-I105 PolarHBondContact O-N 2.86Å; I103-I105 VanDerWaalsContact O-N 3.14Å; I103-N108 HydrophobicContact CD1-CB 3.92Å; I103-N108 HydrophobicContact CG1-CB 4.04Å; I103-I276 HydrophobicContact CD1-CB 4.09Å; I103-I276 HydrophobicContact CD1-CG2 4.48Å; I103-I280 HydrophobicContact CD1-CD1 4.42Å; I103-I280 HydrophobicContact CD1-CG1 4.07Å; I103-I280 HydrophobicContact CG2-CG1 4.47Å
104	D	96.3	Very high	97.3	Very high	79 Å²	79	57 Å²	57	42%	0.422	29%	0.289	S	S	.	.			trans	-77.2	95.9	162.7	-176.4	-24.3	0	0	0	108.7	A106 H107 N108	D104-A106 VanDerWaalsContact C-N 3.31Å; D104-A106 PolarHBondContact O-N 3.34Å; D104-A106 WeakPolarHBondContact OD1-CB 3.28Å; D104-A106 PolarHBondContact OD1-N 2.94Å; D104-H107 PolarHBondContact O-N 2.86Å; D104-H107 IonicContact OD1-CG 3.33Å; D104-H107 PolarHBondContact OD1-N 2.94Å; D104-H107 VanDerWaalsContact OD1-N 3.1Å; D104-H107 IonicContact OD1-ND1 2.65Å; D104-H107 PolarHBondContact OD1-ND1 2.99Å; D104-H107 IonicContact OD2-CE1 3.3Å; D104-H107 IonicContact OD2-CG 3.77Å; D104-H107 IonicContact OD2-ND1 3.23Å; D104-H107 PolarHBondContact OD2-ND1 2.94Å; D104-N108 VanDerWaalsContact O-CB 3.28Å; D104-N108 WeakPolarHBondContact O-CB 3.44Å; D104-N108 PolarHBondContact O-N 3.09Å; D104-N108 PolarHBondContact O-ND2 3.18Å
105	I	96.6	Very high	97.2	Very high	6 Å²	6	53.8 Å²	53.8	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-63.4	-39.8	-177.7	-60.8	-170.4	0	0	0	110.9	I99 I103 H107 N108 F109 I149 T302 L303 S306	I99-I105 HydrophobicContact CG2-CD1 3.89Å; I103-I105 HydrophobicContact CG1-CG1 4.44Å; I103-I105 HydrophobicContact CG2-CD1 4.41Å; I103-I105 HydrophobicContact CG2-CG1 3.88Å; I103-I105 PolarHBondContact O-N 2.86Å; I103-I105 VanDerWaalsContact O-N 3.14Å; I105-H107 VanDerWaalsContact C-N 3.28Å; I105-H107 PolarHBondContact O-N 2.77Å; I105-N108 PolarHBondContact O-N 3.45Å; I105-F109 WeakPolarHBondContact O-CA 3.23Å; I105-F109 WeakPolarHBondContact O-CB 2.94Å; I105-F109 PolarHBondContact O-N 3.42Å; I105-I149 HydrophobicContact CG2-CD1 4.05Å; I105-T302 HydrophobicContact CD1-CG2 3.96Å; I105-T302 WeakPolarHBondContact CD1-O 2.96Å; I105-L303 HydrophobicContact CG2-CD2 3.68Å; I105-S306 VanDerWaalsContact CG2-OG 3.3Å; I105-S306 WeakPolarHBondContact CG2-OG 3.43Å
106	A	95	Very high	97.3	Very high	26 Å²	26	53.5 Å²	53.5	22%	0.215	28%	0.279	C	S	.	.	H	α-helix	trans	-58	-43.3	-177.3	0	0	0	0	0	111.2	D104 S147 V150	D104-A106 VanDerWaalsContact C-N 3.31Å; D104-A106 PolarHBondContact O-N 3.34Å; D104-A106 WeakPolarHBondContact OD1-CB 3.28Å; D104-A106 PolarHBondContact OD1-N 2.94Å; A106-S147 WeakPolarHBondContact O-CB 3.49Å; A106-S147 PolarHBondContact O-OG 2.75Å; A106-V150 HydrophobicContact CB-CG2 4.28Å
107	H	94.6	Very high	97.3	Very high	124 Å²	124	60 Å²	60	57%	0.574	30%	0.304	S	S	*	.	H	α-helix	trans	-85	-25.5	179.6	-66.7	91.1	0	0	0	114.3	D104 I105	D104-H107 PolarHBondContact O-N 2.86Å; D104-H107 IonicContact OD1-CG 3.33Å; D104-H107 PolarHBondContact OD1-N 2.94Å; D104-H107 VanDerWaalsContact OD1-N 3.1Å; D104-H107 IonicContact OD1-ND1 2.65Å; D104-H107 PolarHBondContact OD1-ND1 2.99Å; D104-H107 IonicContact OD2-CE1 3.3Å; D104-H107 IonicContact OD2-CG 3.77Å; D104-H107 IonicContact OD2-ND1 3.23Å; D104-H107 PolarHBondContact OD2-ND1 2.94Å; I105-H107 VanDerWaalsContact C-N 3.28Å; I105-H107 PolarHBondContact O-N 2.77Å
108	N	96.3	Very high	97.4	Very high	60 Å²	60	56.6 Å²	56.6	32%	0.321	29%	0.294	S	S	.	.	H	α-helix	trans	-96.4	-2.3	-179.5	-71.4	-89	0	0	0	114	I103 D104 I105 T110 I276	I103-N108 HydrophobicContact CD1-CB 3.92Å; I103-N108 HydrophobicContact CG1-CB 4.04Å; D104-N108 VanDerWaalsContact O-CB 3.28Å; D104-N108 WeakPolarHBondContact O-CB 3.44Å; D104-N108 PolarHBondContact O-N 3.09Å; D104-N108 PolarHBondContact O-ND2 3.18Å; I105-N108 PolarHBondContact O-N 3.45Å; N108-T110 PolarHBondContact O-N 3.06Å; N108-I276 HydrophobicContact CB-CG2 4.03Å
109	F	98.1	Very high	97.4	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.304	C	S	.	.	S	Bend	trans	-59.3	-34.2	-179	179.7	-97.2	0	0	0	113.2	I105 P148 I149 L202 I237 W239 A271 L303	I105-F109 WeakPolarHBondContact O-CA 3.23Å; I105-F109 WeakPolarHBondContact O-CB 2.94Å; I105-F109 PolarHBondContact O-N 3.42Å; F109-P148 HydrophobicContact CD1-CG 4.01Å; F109-P148 HydrophobicContact CE1-CG 3.7Å; F109-I149 HydrophobicContact CB-CD1 3.57Å; F109-I149 HydrophobicContact CB-CG1 3.83Å; F109-I149 HydrophobicContact CD1-CD1 4.34Å; F109-I149 HydrophobicContact CD1-CG1 4.04Å; F109-I149 HydrophobicContact CD1-CG2 4.13Å; F109-I149 HydrophobicContact CD2-CD1 3.55Å; F109-I149 HydrophobicContact CD2-CG1 4.14Å; F109-I149 HydrophobicContact CD2-CG2 4.35Å; F109-I149 HydrophobicContact CE1-CG2 3.89Å; F109-I149 HydrophobicContact CE2-CD1 4.28Å; F109-I149 HydrophobicContact CE2-CG2 4.12Å; F109-I149 HydrophobicContact CG-CD1 3.57Å; F109-I149 HydrophobicContact CG-CG1 3.75Å; F109-I149 HydrophobicContact CG-CG2 4.34Å; F109-I149 HydrophobicContact CZ-CG2 3.87Å; F109-L202 HydrophobicContact CE2-CD1 3.76Å; F109-L202 HydrophobicContact CZ-CD1 3.52Å; F109-I237 HydrophobicContact CE1-CD1 4.41Å; F109-I237 HydrophobicContact CE1-CG2 4.08Å; F109-I237 HydrophobicContact CZ-CD1 4.29Å; F109-I237 HydrophobicContact CZ-CG2 4.01Å; F109-W239 AromaticContact CD2-NE1 3.71Å; F109-W239 AromaticContact CE1-CD1 3.65Å; F109-W239 AromaticContact CE2-CD1 3.59Å; F109-W239 AromaticContact CE2-NE1 3.62Å; F109-W239 AromaticContact CG-NE1 3.97Å; F109-W239 AromaticContact CZ-CD1 3.34Å; F109-W239 HydrophobicContact CZ-CG 4.36Å; F109-W239 AromaticContact CZ-NE1 3.8Å; F109-W239 PolarHBondContact O-NE1 3.3Å; F109-A271 HydrophobicContact CD1-CB 4.14Å; F109-A271 HydrophobicContact CE1-CB 3.58Å; F109-A271 HydrophobicContact CZ-CB 4.38Å; F109-L303 HydrophobicContact CD2-CD1 4.1Å; F109-L303 HydrophobicContact CD2-CD2 4.45Å; F109-L303 HydrophobicContact CE2-CD1 3.96Å
110	T	98.6	Very high	97.4	Very high	4 Å²	4	58.5 Å²	58.5	3%	0.025	32%	0.316	C	S	.	.	S	Bend	trans	-149.5	146	176.7	-177.5	0	0	0	0	109.6	N108 P144 W272	N108-T110 PolarHBondContact O-N 3.06Å; T110-P144 HydrophobicContact CG2-CG 3.67Å; T110-W272 PolarHBondContact OG1-N 2.79Å
111	L	98.6	Very high	97.5	Very high	24 Å²	24	59.9 Å²	59.9	13%	0.126	32%	0.317	C	S	.	.			trans	-59	147.6	159.1	-62.3	171.4	0	0	0	109	V116 M122 L143 F243 W272	L111-V116 HydrophobicContact CB-CG1 4.34Å; L111-V116 HydrophobicContact CD1-CG1 4.07Å; L111-V116 HydrophobicContact CD2-CG1 4.09Å; L111-V116 HydrophobicContact CG-CG1 4.4Å; L111-M122 HydrophobicContact CD1-CE 4.13Å; L111-L143 HydrophobicContact CB-CD1 3.96Å; L111-L143 HydrophobicContact CB-CD2 4.02Å; L111-F243 HydrophobicContact CD1-CD2 4.13Å; L111-F243 HydrophobicContact CD1-CE2 3.55Å; L111-F243 HydrophobicContact CD1-CZ 4.41Å; L111-W272 WeakPolarHBondContact CB-O 3.29Å; L111-W272 WeakPolarHBondContact CG-O 3.29Å; L111-W272 PolarHBondContact N-O 3.45Å
112	T	98.4	Very high	97.5	Very high	20 Å²	20	53.8 Å²	53.8	12%	0.123	29%	0.289	C	S	.	.			trans	-114.9	166.2	174.5	64.1	0	0	0	0	110.1	S114 S115 L143 P144	T112-S114 PolarHBondContact O-N 3.35Å; T112-S114 PolarHBondContact OG1-OG 3.44Å; T112-S114 VanDerWaalsContact OG1-OG 3.13Å; T112-S115 PolarHBondContact N-OG 3.2Å; T112-S115 PolarHBondContact O-N 3.12Å; T112-S115 VanDerWaalsContact O-N 3.1Å; T112-S115 PolarHBondContact O-OG 3.46Å; T112-S115 VanDerWaalsContact O-OG 3.09Å; T112-S115 WeakPolarHBondContact OG1-CB 3.28Å; T112-S115 PolarHBondContact OG1-N 2.78Å; T112-L143 WeakPolarHBondContact O-CD1 3.29Å; T112-P144 CarbonylContact C-O 3.49Å; T112-P144 VanDerWaalsContact CA-O 3.22Å; T112-P144 WeakPolarHBondContact CA-O 3.44Å; T112-P144 WeakPolarHBondContact CB-O 3.15Å
113	R	97.7	Very high	97.5	Very high	90 Å²	90	53.6 Å²	53.6	34%	0.34	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-33.3	176.7	-65.6	-167.8	-176.3	162.6	-10	113	K140 S141 L143 P144 E145	R113-K140 WeakPolarHBondContact O-CE 3.2Å; R113-S141 PolarHBondContact NH2-O 3.36Å; R113-L143 HydrophobicContact CG-CB 4.04Å; R113-L143 VanDerWaalsContact CG-O 3.27Å; R113-L143 WeakPolarHBondContact CG-O 3.46Å; R113-L143 PolarHBondContact NE-O 3.16Å; R113-P144 PolarHBondContact N-O 3.4Å; R113-E145 VanDerWaalsContact CD-OE1 3.28Å; R113-E145 WeakPolarHBondContact CD-OE1 3.41Å; R113-E145 IonicContact CZ-OE1 3.89Å; R113-E145 IonicContact NE-OE1 2.74Å; R113-E145 IonicContact NH1-OE1 3Å; R113-E145 PolarHBondContact NH1-OE1 3.15Å
114	S	97.3	Very high	97.6	Very high	103 Å²	103	53.6 Å²	53.6	72%	0.72	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-22	178.9	56.7	0	0	0	0	113.5	T112 V116	T112-S114 PolarHBondContact O-N 3.35Å; T112-S114 PolarHBondContact OG1-OG 3.44Å; T112-S114 VanDerWaalsContact OG1-OG 3.13Å; S114-V116 VanDerWaalsContact C-N 3.29Å; S114-V116 PolarHBondContact O-N 3.32Å
115	S	97.3	Very high	97.7	Very high	58 Å²	58	51.8 Å²	51.8	41%	0.406	28%	0.277	S	S	.	.	S	Bend	trans	-81.3	-5.9	-178	79.3	0	0	0	0	114	T112	T112-S115 PolarHBondContact N-OG 3.2Å; T112-S115 PolarHBondContact O-N 3.12Å; T112-S115 VanDerWaalsContact O-N 3.1Å; T112-S115 PolarHBondContact O-OG 3.46Å; T112-S115 VanDerWaalsContact O-OG 3.09Å; T112-S115 WeakPolarHBondContact OG1-CB 3.28Å; T112-S115 PolarHBondContact OG1-N 2.78Å
116	V	98.1	Very high	97.6	Very high	5 Å²	5	54.1 Å²	54.1	3%	0.03	29%	0.286	C	S	.	.			trans	-134	153.4	-179.7	-58.4	0	0	0	0	113.1	L111 S114 Q120 I135 K140 L143	L111-V116 HydrophobicContact CB-CG1 4.34Å; L111-V116 HydrophobicContact CD1-CG1 4.07Å; L111-V116 HydrophobicContact CD2-CG1 4.09Å; L111-V116 HydrophobicContact CG-CG1 4.4Å; S114-V116 VanDerWaalsContact C-N 3.29Å; S114-V116 PolarHBondContact O-N 3.32Å; V116-Q120 VanDerWaalsContact CA-OE1 3.25Å; V116-I135 HydrophobicContact CG2-CG2 4.14Å; V116-K140 HydrophobicContact CG2-CG 4.13Å; V116-L143 HydrophobicContact CG1-CD1 4.43Å; V116-L143 HydrophobicContact CG2-CD1 3.44Å; V116-L143 VanDerWaalsContact CG2-CD1 3.44Å
117	R	98.3	Very high	97.7	Very high	187 Å²	187	54.2 Å²	54.2	71%	0.706	29%	0.285	S	S	*	.			trans	-110.7	148.5	172.3	-64.6	-177.5	-67.7	-108	-0.1	111.1	G119 Q120	R117-G119 PolarHBondContact O-N 3.01Å; R117-Q120 HydrophobicContact CB-CB 4.4Å; R117-Q120 WeakPolarHBondContact O-CB 3.28Å; R117-Q120 PolarHBondContact O-N 2.92Å
118	V	98.4	Very high	97.8	Very high	64 Å²	64	51.6 Å²	51.6	39%	0.388	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	135.5	169.7	175.6	0	0	0	0	108.2	Q120 I135 E137 K140	V118-Q120 VanDerWaalsContact C-N 3.28Å; V118-Q120 PolarHBondContact O-N 2.85Å; V118-I135 CarbonylContact C-O 3.11Å; V118-I135 WeakPolarHBondContact CA-O 3.06Å; V118-E137 HydrophobicContact CG1-CG 4.25Å; V118-E137 VanDerWaalsContact CG2-CD 3.46Å; V118-E137 HydrophobicContact CG2-CG 4.3Å; V118-E137 WeakPolarHBondContact CG2-OE1 3.13Å; V118-E137 WeakPolarHBondContact CG2-OE2 3.22Å; V118-K140 HydrophobicContact CG2-CD 3.77Å
119	G	98.3	Very high	97.9	Very high	47 Å²	47	55.3 Å²	55.3	49%	0.485	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	-5.2	-171.8	0	0	0	0	0	114.9	R117 L121 I135	R117-G119 PolarHBondContact O-N 3.01Å; G119-L121 PolarHBondContact O-N 3.36Å; G119-I135 PolarHBondContact N-O 3.35Å
120	Q	98.4	Very high	97.8	Very high	55 Å²	55	62.4 Å²	62.4	26%	0.257	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-62	132.8	175.6	178.8	174.1	-15.1	0	0	110.8	V116 R117 V118 M122 S134 I135	V116-Q120 VanDerWaalsContact CA-OE1 3.25Å; R117-Q120 HydrophobicContact CB-CB 4.4Å; R117-Q120 WeakPolarHBondContact O-CB 3.28Å; R117-Q120 PolarHBondContact O-N 2.92Å; V118-Q120 VanDerWaalsContact C-N 3.28Å; V118-Q120 PolarHBondContact O-N 2.85Å; Q120-M122 HydrophobicContact CG-SD 4.12Å; Q120-M122 PolarHBondContact NE2-SD 2.95Å; Q120-S134 WeakPolarHBondContact O-CA 3.49Å; Q120-I135 HydrophobicContact CB-CB 4.45Å; Q120-I135 HydrophobicContact CB-CG1 4.3Å; Q120-I135 PolarHBondContact O-N 3.45Å
121	L	98.4	Very high	97.8	Very high	99 Å²	99	66.1 Å²	66.1	52%	0.518	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	116.5	176	-57.9	-176.9	0	0	0	110	G119 V132	G119-L121 PolarHBondContact O-N 3.36Å; L121-V132 HydrophobicContact CB-CB 4.35Å; L121-V132 HydrophobicContact CB-CG1 4.43Å
122	M	98.3	Very high	97.8	Very high	10 Å²	10	68.2 Å²	68.2	5%	0.049	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	138.5	172.9	-58.4	-59.1	-68.6	0	0	110.1	L111 Q120 V132 F133 I135 F243	L111-M122 HydrophobicContact CD1-CE 4.13Å; Q120-M122 HydrophobicContact CG-SD 4.12Å; Q120-M122 PolarHBondContact NE2-SD 2.95Å; M122-V132 CarbonylContact O-C 3.49Å; M122-V132 VanDerWaalsContact O-CA 3.28Å; M122-V132 WeakPolarHBondContact O-CA 3.42Å; M122-F133 HydrophobicContact CB-CB 4.46Å; M122-F133 PolarHBondContact N-O 3.22Å; M122-F133 PolarHBondContact O-N 3.08Å; M122-I135 HydrophobicContact CG-CD1 3.66Å; M122-I135 HydrophobicContact CG-CG1 3.73Å; M122-I135 HydrophobicContact SD-CG1 4.39Å; M122-F243 HydrophobicContact CB-CD1 3.59Å; M122-F243 HydrophobicContact CB-CE1 3.6Å; M122-F243 HydrophobicContact CB-CG 4.32Å; M122-F243 HydrophobicContact CB-CZ 4.33Å; M122-F243 HydrophobicContact CE-CD2 4.4Å; M122-F243 HydrophobicContact CG-CD1 4.15Å; M122-F243 HydrophobicContact CG-CE1 3.75Å; M122-F243 HydrophobicContact CG-CZ 4Å
123	H	98.3	Very high	97.8	Very high	54 Å²	54	67.5 Å²	67.5	25%	0.25	35%	0.35	C	S	.	.			trans	-98.3	175.6	172.6	-64.6	-88.5	0	0	0	110.8	H129 V132 N275	H123-H129 AromaticContact CD2-CE1 3.6Å; H123-H129 AromaticContact CE1-CD2 3.67Å; H123-H129 AromaticContact CE1-CE1 3.25Å; H123-H129 PolarHBondContact CE1-CE1 3.49Å; H123-H129 AromaticContact CE1-CG 3.91Å; H123-H129 AromaticContact CE1-ND1 3.67Å; H123-H129 AromaticContact CE1-NE2 3.25Å; H123-H129 PolarHBondContact CE1-NE2 3Å; H123-H129 PolarHBondContact CE1-O 3.33Å; H123-H129 VanDerWaalsContact CE1-O 3.27Å; H123-H129 AromaticContact CG-CE1 3.57Å; H123-H129 AromaticContact CG-ND1 3.67Å; H123-H129 AromaticContact ND1-CD2 3.97Å; H123-H129 AromaticContact ND1-CE1 3.38Å; H123-H129 PolarHBondContact ND1-CE1 3.48Å; H123-H129 AromaticContact ND1-CG 3.73Å; H123-H129 AromaticContact ND1-ND1 3.36Å; H123-H129 PolarHBondContact ND1-ND1 2.9Å; H123-H129 AromaticContact ND1-NE2 3.77Å; H123-H129 PolarHBondContact ND1-O 3.08Å; H123-H129 AromaticContact NE2-CE1 3.4Å; H123-H129 PolarHBondContact NE2-CE1 2.93Å; H123-H129 AromaticContact NE2-NE2 3.57Å; H123-V132 VanDerWaalsContact CE1-CG1 3.49Å; H123-V132 WeakPolarHBondContact CE1-CG1 3.45Å; H123-N275 PolarHBondContact O-ND2 3.02Å
124	Y	98.4	Very high	97.8	Very high	11 Å²	11	65.4 Å²	65.4	4%	0.043	35%	0.349	C	S	.	.			trans	-115.8	127.7	-175.7	-64.4	-86.9	0	0	0	112.1	Y126 S127 F133 A242 F243 F245 H246 A249	Y124-Y126 VanDerWaalsContact C-N 3.25Å; Y124-Y126 PolarHBondContact O-N 3.32Å; Y124-Y126 VanDerWaalsContact O-N 3.16Å; Y124-S127 PolarHBondContact O-N 2.9Å; Y124-F133 HydrophobicContact CE2-CB 4.42Å; Y124-F133 WeakPolarHBondContact OH-CB 3.33Å; Y124-A242 VanDerWaalsContact CE1-O 3.29Å; Y124-A242 WeakPolarHBondContact CE1-O 3.4Å; Y124-F243 CarbonylContact C-O 3.56Å; Y124-F243 WeakPolarHBondContact CA-O 3.27Å; Y124-F245 VanDerWaalsContact CD1-O 3.27Å; Y124-F245 WeakPolarHBondContact CD1-O 3.3Å; Y124-F245 VanDerWaalsContact CE1-O 3.23Å; Y124-F245 WeakPolarHBondContact CE1-O 3.24Å; Y124-H246 HydrophobicContact CD1-CB 4.5Å; Y124-H246 HydrophobicContact CD2-CB 3.77Å; Y124-H246 HydrophobicContact CE2-CB 3.93Å; Y124-H246 HydrophobicContact CG-CB 4.06Å; Y124-A249 WeakPolarHBondContact OH-CB 3.28Å
125	D	97.6	Very high	97.9	Very high	41 Å²	41	60.5 Å²	60.5	22%	0.219	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-34.1	-173.4	-78.2	-5.5	0	0	0	113.9	F243 F244 N275 I276 M277	D125-F243 PolarHBondContact N-O 3.29Å; D125-F244 HydrophobicContact CB-CD1 4.39Å; D125-N275 VanDerWaalsContact OD1-CA 3.25Å; D125-N275 WeakPolarHBondContact OD1-CA 3.29Å; D125-N275 WeakPolarHBondContact OD1-CB 3.29Å; D125-N275 PolarHBondContact OD1-ND2 3.48Å; D125-I276 PolarHBondContact OD2-N 3.4Å; D125-M277 HydrophobicContact CB-CB 4.09Å; D125-M277 HydrophobicContact CB-CG 4.31Å; D125-M277 VanDerWaalsContact OD2-CB 3.22Å; D125-M277 WeakPolarHBondContact OD2-CB 3.46Å; D125-M277 VanDerWaalsContact OD2-CG 3.29Å; D125-M277 WeakPolarHBondContact OD2-CG 3.31Å; D125-M277 PolarHBondContact OD2-N 3.31Å
126	Y	96	Very high	97.9	Very high	54 Å²	54	59.2 Å²	59.2	21%	0.212	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	24.8	-176.4	-58.4	-65	0	0	0	113.2	Y124 F244 F245 M277 R293	Y124-Y126 VanDerWaalsContact C-N 3.25Å; Y124-Y126 PolarHBondContact O-N 3.32Å; Y124-Y126 VanDerWaalsContact O-N 3.16Å; Y126-F244 WeakPolarHBondContact CB-O 3.28Å; Y126-F244 HydrophobicContact CD2-CB 4.07Å; Y126-F244 HydrophobicContact CE2-CB 4.42Å; Y126-F244 HydrophobicContact CE2-CD2 4.38Å; Y126-F244 HydrophobicContact CE2-CG 4.4Å; Y126-F244 PolarHBondContact N-O 3.46Å; Y126-F245 VanDerWaalsContact CB-CE1 3.47Å; Y126-F245 HydrophobicContact CD2-CD1 4.39Å; Y126-F245 AromaticContact CD2-CE1 3.51Å; Y126-F245 HydrophobicContact CD2-CE1 3.51Å; Y126-F245 HydrophobicContact CD2-CE2 4.31Å; Y126-F245 AromaticContact CD2-CZ 3.42Å; Y126-F245 HydrophobicContact CD2-CZ 3.42Å; Y126-F245 VanDerWaalsContact CD2-CZ 3.42Å; Y126-F245 HydrophobicContact CE2-CZ 4.06Å; Y126-F245 AromaticContact CG-CE1 3.79Å; Y126-F245 HydrophobicContact CG-CE1 3.79Å; Y126-F245 HydrophobicContact CG-CZ 4.16Å; Y126-M277 HydrophobicContact CE2-CB 4.33Å; Y126-M277 HydrophobicContact CE2-CG 3.81Å; Y126-M277 WeakPolarHBondContact OH-CE 3.42Å; Y126-M277 WeakPolarHBondContact OH-CG 3.35Å; Y126-R293 HydrophobicContact CD1-CB 4.43Å; Y126-R293 HydrophobicContact CD2-CG 4.43Å; Y126-R293 HydrophobicContact CE1-CB 4.11Å; Y126-R293 HydrophobicContact CE1-CG 4.13Å; Y126-R293 HydrophobicContact CE2-CG 3.98Å
127	S	97	Very high	97.9	Very high	28 Å²	28	64.9 Å²	64.9	20%	0.196	34%	0.337	C	S	.	.	S	Bend	trans	-132.6	163.5	176.6	-52.8	0	0	0	0	111.5	Y124 H246	Y124-S127 PolarHBondContact O-N 2.9Å; S127-H246 WeakPolarHBondContact CB-ND1 3.49Å; S127-H246 PolarHBondContact OG-N 2.88Å; S127-H246 VanDerWaalsContact OG-N 3.09Å; S127-H246 PolarHBondContact OG-ND1 3.29Å
128	S	97.2	Very high	97.9	Very high	69 Å²	69	59.5 Å²	59.5	48%	0.483	32%	0.322	S	S	.	.			trans	-56.3	141.2	174.7	177.2	0	0	0	0	110.9	K130 Y131	S128-K130 PolarHBondContact O-N 2.77Å; S128-Y131 WeakPolarHBondContact O-CD2 3.41Å; S128-Y131 PolarHBondContact O-N 3.28Å
129	H	96.6	Very high	98	Very high	138 Å²	138	56.6 Å²	56.6	64%	0.639	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-18.7	-177.5	-164.1	73.6	0	0	0	113.9	H123 Y131	H123-H129 AromaticContact CD2-CE1 3.6Å; H123-H129 AromaticContact CE1-CD2 3.67Å; H123-H129 AromaticContact CE1-CE1 3.25Å; H123-H129 PolarHBondContact CE1-CE1 3.49Å; H123-H129 AromaticContact CE1-CG 3.91Å; H123-H129 AromaticContact CE1-ND1 3.67Å; H123-H129 AromaticContact CE1-NE2 3.25Å; H123-H129 PolarHBondContact CE1-NE2 3Å; H123-H129 PolarHBondContact CE1-O 3.33Å; H123-H129 VanDerWaalsContact CE1-O 3.27Å; H123-H129 AromaticContact CG-CE1 3.57Å; H123-H129 AromaticContact CG-ND1 3.67Å; H123-H129 AromaticContact ND1-CD2 3.97Å; H123-H129 AromaticContact ND1-CE1 3.38Å; H123-H129 PolarHBondContact ND1-CE1 3.48Å; H123-H129 AromaticContact ND1-CG 3.73Å; H123-H129 AromaticContact ND1-ND1 3.36Å; H123-H129 PolarHBondContact ND1-ND1 2.9Å; H123-H129 AromaticContact ND1-NE2 3.77Å; H123-H129 PolarHBondContact ND1-O 3.08Å; H123-H129 AromaticContact NE2-CE1 3.4Å; H123-H129 PolarHBondContact NE2-CE1 2.93Å; H123-H129 AromaticContact NE2-NE2 3.57Å; H129-Y131 PolarHBondContact O-N 3.2Å
130	K	97.4	Very high	98	Very high	149 Å²	149	57.3 Å²	57.3	65%	0.648	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-22.7	175	73.8	-177.1	-176.9	173.8	0	114	S128	S128-K130 PolarHBondContact O-N 2.77Å
131	Y	98.3	Very high	98	Very high	82 Å²	82	56 Å²	56	32%	0.322	29%	0.291	S	S	.	.			trans	-85.1	128.6	179	-61.1	-64.3	0	0	0	110.1	S128 H129 H246	S128-Y131 WeakPolarHBondContact O-CD2 3.41Å; S128-Y131 PolarHBondContact O-N 3.28Å; H129-Y131 PolarHBondContact O-N 3.2Å; Y131-H246 HydrophobicContact CD1-CB 4.11Å; Y131-H246 AromaticContact CD1-CD2 3.76Å; Y131-H246 HydrophobicContact CD2-CB 3.78Å; Y131-H246 AromaticContact CD2-CD2 3.84Å; Y131-H246 AromaticContact CD2-CG 3.53Å; Y131-H246 AromaticContact CD2-ND1 3.84Å; Y131-H246 AromaticContact CE1-CD2 3.63Å; Y131-H246 HydrophobicContact CE2-CB 4.47Å; Y131-H246 AromaticContact CE2-CD2 3.68Å; Y131-H246 AromaticContact CE2-CE1 3.81Å; Y131-H246 AromaticContact CE2-CG 3.75Å; Y131-H246 AromaticContact CE2-ND1 3.83Å; Y131-H246 AromaticContact CE2-NE2 3.72Å; Y131-H246 HydrophobicContact CG-CB 3.54Å; Y131-H246 AromaticContact CG-CD2 3.86Å; Y131-H246 AromaticContact CG-CG 3.67Å; Y131-H246 AromaticContact CZ-CD2 3.57Å; Y131-H246 AromaticContact CZ-NE2 3.6Å
132	V	97.9	Very high	98	Very high	68 Å²	68	52.2 Å²	52.2	41%	0.412	27%	0.271	S	S	.	.			trans	-134.7	150.9	-177.2	-65.9	0	0	0	0	111.5	L121 M122 H123	L121-V132 HydrophobicContact CB-CB 4.35Å; L121-V132 HydrophobicContact CB-CG1 4.43Å; M122-V132 CarbonylContact O-C 3.49Å; M122-V132 VanDerWaalsContact O-CA 3.28Å; M122-V132 WeakPolarHBondContact O-CA 3.42Å; H123-V132 VanDerWaalsContact CE1-CG1 3.49Å; H123-V132 WeakPolarHBondContact CE1-CG1 3.45Å
133	F	98.3	Very high	98	Very high	5 Å²	5	51.9 Å²	51.9	2%	0.022	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	119.3	170.6	-173.8	-85.9	0	0	0	109.7	M122 Y124 I135 F139 F243 A249 T252 R253	M122-F133 HydrophobicContact CB-CB 4.46Å; M122-F133 PolarHBondContact N-O 3.22Å; M122-F133 PolarHBondContact O-N 3.08Å; Y124-F133 HydrophobicContact CE2-CB 4.42Å; Y124-F133 WeakPolarHBondContact OH-CB 3.33Å; F133-I135 HydrophobicContact CD1-CD1 4.19Å; F133-I135 HydrophobicContact CE1-CD1 4.31Å; F133-F139 HydrophobicContact CE1-CD2 4.18Å; F133-F139 HydrophobicContact CZ-CD2 4.44Å; F133-F243 HydrophobicContact CB-CE1 4.12Å; F133-F243 AromaticContact CD1-CE1 3.75Å; F133-F243 HydrophobicContact CD1-CE1 3.75Å; F133-F243 HydrophobicContact CD1-CZ 4.36Å; F133-F243 HydrophobicContact CE1-CE1 4.42Å; F133-F243 HydrophobicContact CG-CE1 4.06Å; F133-A249 HydrophobicContact CD2-CB 4.45Å; F133-T252 HydrophobicContact CE2-CG2 4.03Å; F133-T252 HydrophobicContact CZ-CG2 3.93Å; F133-R253 HydrophobicContact CE2-CG 4.08Å; F133-R253 HydrophobicContact CZ-CG 4.43Å
134	S	98.3	Very high	98	Very high	46 Å²	46	50.8 Å²	50.8	32%	0.322	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	125.3	175.2	-175.5	0	0	0	0	110.9	Q120 G136	Q120-S134 WeakPolarHBondContact O-CA 3.49Å; S134-G136 PolarHBondContact O-N 3.11Å
135	I	98.6	Very high	97.9	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.293	C	S	.	.			trans	-70.7	113.6	175.8	-61	-64	0	0	0	109.6	V116 V118 G119 Q120 M122 F133 F139 K140 F243	V116-I135 HydrophobicContact CG2-CG2 4.14Å; V118-I135 CarbonylContact C-O 3.11Å; V118-I135 WeakPolarHBondContact CA-O 3.06Å; G119-I135 PolarHBondContact N-O 3.35Å; Q120-I135 HydrophobicContact CB-CB 4.45Å; Q120-I135 HydrophobicContact CB-CG1 4.3Å; Q120-I135 PolarHBondContact O-N 3.45Å; M122-I135 HydrophobicContact CG-CD1 3.66Å; M122-I135 HydrophobicContact CG-CG1 3.73Å; M122-I135 HydrophobicContact SD-CG1 4.39Å; F133-I135 HydrophobicContact CD1-CD1 4.19Å; F133-I135 HydrophobicContact CE1-CD1 4.31Å; I135-F139 HydrophobicContact CD1-CD1 3.61Å; I135-F139 HydrophobicContact CD1-CE1 3.68Å; I135-F139 HydrophobicContact CD1-CG 4.25Å; I135-F139 HydrophobicContact CD1-CZ 4.39Å; I135-F139 HydrophobicContact CG2-CD1 4.13Å; I135-K140 HydrophobicContact CG2-CB 4.26Å; I135-F243 HydrophobicContact CD1-CE1 4.34Å; I135-F243 HydrophobicContact CD1-CZ 3.8Å
136	G	98.4	Very high	97.8	Very high	32 Å²	32	57.3 Å²	57.3	33%	0.33	31%	0.308	S	S	.	.			trans	-91.5	170.2	172.4	0	0	0	0	0	113.2	S134 N138 F139 K140	S134-G136 PolarHBondContact O-N 3.11Å; G136-N138 VanDerWaalsContact C-N 3.33Å; G136-N138 PolarHBondContact O-N 3.28Å; G136-F139 PolarHBondContact O-N 3.41Å; G136-K140 PolarHBondContact O-N 3.08Å
137	E	98.4	Very high	97.9	Very high	124 Å²	124	55.4 Å²	55.4	58%	0.579	30%	0.303	S	S	*	.	H	α-helix	trans	-55.1	-46.8	175.9	-67.3	-66.5	174.5	0	0	112.1	V118 F139 K140 S141	V118-E137 HydrophobicContact CG1-CG 4.25Å; V118-E137 VanDerWaalsContact CG2-CD 3.46Å; V118-E137 HydrophobicContact CG2-CG 4.3Å; V118-E137 WeakPolarHBondContact CG2-OE1 3.13Å; V118-E137 WeakPolarHBondContact CG2-OE2 3.22Å; E137-F139 PolarHBondContact O-N 3.17Å; E137-K140 PolarHBondContact O-N 3.46Å; E137-S141 VanDerWaalsContact O-CB 3.31Å; E137-S141 WeakPolarHBondContact O-CB 3.16Å; E137-S141 PolarHBondContact O-N 3.27Å
138	N	98.4	Very high	97.7	Very high	73 Å²	73	55.4 Å²	55.4	39%	0.39	30%	0.302	S	S	.	.	H	α-helix	trans	-57.3	-49.4	179	-77.3	1	0	0	0	111.7	G136 S141 L142 V256 V260	G136-N138 VanDerWaalsContact C-N 3.33Å; G136-N138 PolarHBondContact O-N 3.28Å; N138-S141 PolarHBondContact O-N 2.84Å; N138-S141 PolarHBondContact O-OG 3.19Å; N138-L142 WeakPolarHBondContact O-CG 3.16Å; N138-L142 PolarHBondContact O-N 2.92Å; N138-V256 HydrophobicContact CB-CG1 3.61Å; N138-V260 HydrophobicContact CB-CG2 3.87Å
139	F	98.6	Very high	97.7	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.018	28%	0.281	C	S	.	.	H	α-helix	trans	-59.8	-50.7	177.5	-175.9	-80.4	0	0	0	111	F133 I135 G136 E137 S141 L142 L143 F243 T252 V256 W272	F133-F139 HydrophobicContact CE1-CD2 4.18Å; F133-F139 HydrophobicContact CZ-CD2 4.44Å; I135-F139 HydrophobicContact CD1-CD1 3.61Å; I135-F139 HydrophobicContact CD1-CE1 3.68Å; I135-F139 HydrophobicContact CD1-CG 4.25Å; I135-F139 HydrophobicContact CD1-CZ 4.39Å; I135-F139 HydrophobicContact CG2-CD1 4.13Å; G136-F139 PolarHBondContact O-N 3.41Å; E137-F139 PolarHBondContact O-N 3.17Å; F139-S141 PolarHBondContact O-N 2.94Å; F139-L142 PolarHBondContact O-N 3.45Å; F139-L142 VanDerWaalsContact O-N 3.08Å; F139-L143 HydrophobicContact CD1-CD1 4.39Å; F139-L143 HydrophobicContact CD1-CD2 4.42Å; F139-L143 HydrophobicContact CD1-CG 4.35Å; F139-L143 HydrophobicContact CE1-CD1 4.1Å; F139-L143 HydrophobicContact CE1-CD2 3.74Å; F139-L143 HydrophobicContact CE1-CG 4.1Å; F139-L143 HydrophobicContact CZ-CD2 4.25Å; F139-F243 HydrophobicContact CE1-CE2 4.27Å; F139-F243 HydrophobicContact CE1-CZ 4.01Å; F139-F243 HydrophobicContact CE2-CE2 4.41Å; F139-F243 AromaticContact CE2-CZ 3.94Å; F139-F243 HydrophobicContact CE2-CZ 3.94Å; F139-F243 AromaticContact CZ-CE2 3.65Å; F139-F243 HydrophobicContact CZ-CE2 3.65Å; F139-F243 AromaticContact CZ-CZ 3.47Å; F139-F243 HydrophobicContact CZ-CZ 3.47Å; F139-F243 VanDerWaalsContact CZ-CZ 3.47Å; F139-T252 HydrophobicContact CD2-CG2 4.45Å; F139-T252 HydrophobicContact CE2-CG2 4.27Å; F139-V256 HydrophobicContact CB-CG1 4.44Å; F139-V256 HydrophobicContact CB-CG2 4.28Å; F139-V256 HydrophobicContact CD2-CG2 3.62Å; F139-V256 HydrophobicContact CE2-CG2 4.45Å; F139-V256 HydrophobicContact CG-CG2 4.4Å; F139-W272 HydrophobicContact CE2-CD2 4.1Å; F139-W272 AromaticContact CE2-CE3 3.69Å; F139-W272 HydrophobicContact CE2-CE3 3.69Å; F139-W272 AromaticContact CE2-CZ3 3.96Å; F139-W272 HydrophobicContact CE2-CZ3 3.96Å; F139-W272 HydrophobicContact CZ-CB 4.16Å; F139-W272 HydrophobicContact CZ-CD2 4.08Å; F139-W272 AromaticContact CZ-CE3 3.97Å; F139-W272 HydrophobicContact CZ-CE3 3.97Å; F139-W272 HydrophobicContact CZ-CG 4.2Å
140	K	98.6	Very high	97.6	Very high	62 Å²	62	48.2 Å²	48.2	27%	0.27	27%	0.265	S	S	.	.	H	α-helix	trans	-57.5	-39.2	179.9	-175.6	178.3	179.8	-171.7	0	111.5	R113 V116 V118 I135 G136 E137 L142 L143	R113-K140 WeakPolarHBondContact O-CE 3.2Å; V116-K140 HydrophobicContact CG2-CG 4.13Å; V118-K140 HydrophobicContact CG2-CD 3.77Å; I135-K140 HydrophobicContact CG2-CB 4.26Å; G136-K140 PolarHBondContact O-N 3.08Å; E137-K140 PolarHBondContact O-N 3.46Å; K140-L142 PolarHBondContact O-N 3.26Å; K140-L143 WeakPolarHBondContact O-CB 3.34Å; K140-L143 PolarHBondContact O-N 3.13Å; K140-L143 VanDerWaalsContact O-N 3.12Å
141	S	98.3	Very high	97.3	Very high	28 Å²	28	47.9 Å²	47.9	20%	0.196	27%	0.27	C	S	.	.	H	α-helix	trans	-67.3	-21	-178.8	81.5	0	0	0	0	114	R113 E137 N138 F139 R263	R113-S141 PolarHBondContact NH2-O 3.36Å; E137-S141 VanDerWaalsContact O-CB 3.31Å; E137-S141 WeakPolarHBondContact O-CB 3.16Å; E137-S141 PolarHBondContact O-N 3.27Å; N138-S141 PolarHBondContact O-N 2.84Å; N138-S141 PolarHBondContact O-OG 3.19Å; F139-S141 PolarHBondContact O-N 2.94Å; S141-R263 PolarHBondContact O-NH2 3.47Å; S141-R263 PolarHBondContact OG-NH2 3.49Å
142	L	98.4	Very high	97.2	Very high	19 Å²	19	48.7 Å²	48.7	10%	0.099	28%	0.275	C	S	.	.	H	α-helix	trans	-87.3	-10.6	175.3	-63.4	177.1	0	0	0	113.5	N138 F139 K140 V256 F259 V260 L270 W272	N138-L142 WeakPolarHBondContact O-CG 3.16Å; N138-L142 PolarHBondContact O-N 2.92Å; F139-L142 PolarHBondContact O-N 3.45Å; F139-L142 VanDerWaalsContact O-N 3.08Å; K140-L142 PolarHBondContact O-N 3.26Å; L142-V256 HydrophobicContact CD1-CB 4.21Å; L142-V256 HydrophobicContact CD1-CG1 3.97Å; L142-V256 HydrophobicContact CD1-CG2 4.26Å; L142-F259 HydrophobicContact CD1-CB 3.66Å; L142-F259 HydrophobicContact CD1-CD2 4.5Å; L142-F259 HydrophobicContact CD2-CB 3.8Å; L142-F259 HydrophobicContact CG-CB 4.39Å; L142-V260 HydrophobicContact CD1-CG2 4.23Å; L142-V260 HydrophobicContact CD2-CG2 4.12Å; L142-V260 HydrophobicContact CG-CG2 4.14Å; L142-L270 HydrophobicContact CB-CD1 4.28Å; L142-L270 HydrophobicContact CD2-CD1 4.23Å; L142-W272 HydrophobicContact CD1-CZ2 4.37Å
143	L	98.6	Very high	97.1	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	29%	0.285	C	S	.	.	S	Bend	trans	-72.7	144.9	174.2	-60.8	-179.3	0	0	0	110.4	L111 T112 R113 V116 F139 K140 W272	L111-L143 HydrophobicContact CB-CD1 3.96Å; L111-L143 HydrophobicContact CB-CD2 4.02Å; T112-L143 WeakPolarHBondContact O-CD1 3.29Å; R113-L143 HydrophobicContact CG-CB 4.04Å; R113-L143 VanDerWaalsContact CG-O 3.27Å; R113-L143 WeakPolarHBondContact CG-O 3.46Å; R113-L143 PolarHBondContact NE-O 3.16Å; V116-L143 HydrophobicContact CG1-CD1 4.43Å; V116-L143 HydrophobicContact CG2-CD1 3.44Å; V116-L143 VanDerWaalsContact CG2-CD1 3.44Å; F139-L143 HydrophobicContact CD1-CD1 4.39Å; F139-L143 HydrophobicContact CD1-CD2 4.42Å; F139-L143 HydrophobicContact CD1-CG 4.35Å; F139-L143 HydrophobicContact CE1-CD1 4.1Å; F139-L143 HydrophobicContact CE1-CD2 3.74Å; F139-L143 HydrophobicContact CE1-CG 4.1Å; F139-L143 HydrophobicContact CZ-CD2 4.25Å; K140-L143 WeakPolarHBondContact O-CB 3.34Å; K140-L143 PolarHBondContact O-N 3.13Å; K140-L143 VanDerWaalsContact O-N 3.12Å; L143-W272 HydrophobicContact CD2-CB 3.71Å; L143-W272 HydrophobicContact CD2-CG 3.78Å
144	P	97.8	Very high	97.1	Very high	32 Å²	32	54.1 Å²	54.1	21%	0.208	29%	0.294	C	S	.	.			trans	-73	159.8	173.7	33	-36.3	0	0	0	111.3	T110 T112 R113 A146	T110-P144 HydrophobicContact CG2-CG 3.67Å; T112-P144 CarbonylContact C-O 3.49Å; T112-P144 VanDerWaalsContact CA-O 3.22Å; T112-P144 WeakPolarHBondContact CA-O 3.44Å; T112-P144 WeakPolarHBondContact CB-O 3.15Å; R113-P144 PolarHBondContact N-O 3.4Å; P144-A146 WeakPolarHBondContact CB-O 3.49Å
145	E	96.9	Very high	97.1	Very high	122 Å²	122	56.2 Å²	56.2	57%	0.57	30%	0.301	S	S	*	.	S	Bend	trans	-70.4	-38.4	173.7	-64.1	-63.6	172.1	0	0	111.8	R113	R113-E145 VanDerWaalsContact CD-OE1 3.28Å; R113-E145 WeakPolarHBondContact CD-OE1 3.41Å; R113-E145 IonicContact CZ-OE1 3.89Å; R113-E145 IonicContact NE-OE1 2.74Å; R113-E145 IonicContact NH1-OE1 3Å; R113-E145 PolarHBondContact NH1-OE1 3.15Å
146	A	96.3	Very high	97	Very high	67 Å²	67	57.6 Å²	57.6	55%	0.554	31%	0.31	S	S	*	.	S	Bend	trans	-137	157.2	177.3	0	0	0	0	0	110	P144	P144-A146 WeakPolarHBondContact CB-O 3.49Å
147	S	96.7	Very high	97	Very high	14 Å²	14	56.1 Å²	56.1	10%	0.098	29%	0.294	C	S	.	.			trans	-63.3	132.4	178.4	164.7	0	0	0	0	111.1	A106 I149 V150	A106-S147 WeakPolarHBondContact O-CB 3.49Å; A106-S147 PolarHBondContact O-OG 2.75Å; S147-I149 PolarHBondContact O-N 3.26Å; S147-I149 VanDerWaalsContact O-N 3.11Å; S147-I149 VanDerWaalsContact OG-CG1 3.3Å; S147-I149 WeakPolarHBondContact OG-CG1 3.18Å; S147-V150 PolarHBondContact O-N 3.27Å
148	P	94.6	Very high	97.1	Very high	28 Å²	28	50.2 Å²	50.2	18%	0.182	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-8.8	-174.4	29.5	-36	0	0	0	113.6	F109 K152 I237	F109-P148 HydrophobicContact CD1-CG 4.01Å; F109-P148 HydrophobicContact CE1-CG 3.7Å; P148-K152 WeakPolarHBondContact O-CG 3.31Å; P148-I237 HydrophobicContact CB-CD1 4.27Å; P148-I237 HydrophobicContact CG-CD1 4.13Å
149	I	95.6	Very high	97.1	Very high	7 Å²	7	46.7 Å²	46.7	4%	0.036	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-0.2	-177.1	66.4	154.6	0	0	0	113.5	I105 F109 S147 N151 K152 I237 M307	I105-I149 HydrophobicContact CG2-CD1 4.05Å; F109-I149 HydrophobicContact CB-CD1 3.57Å; F109-I149 HydrophobicContact CB-CG1 3.83Å; F109-I149 HydrophobicContact CD1-CD1 4.34Å; F109-I149 HydrophobicContact CD1-CG1 4.04Å; F109-I149 HydrophobicContact CD1-CG2 4.13Å; F109-I149 HydrophobicContact CD2-CD1 3.55Å; F109-I149 HydrophobicContact CD2-CG1 4.14Å; F109-I149 HydrophobicContact CD2-CG2 4.35Å; F109-I149 HydrophobicContact CE1-CG2 3.89Å; F109-I149 HydrophobicContact CE2-CD1 4.28Å; F109-I149 HydrophobicContact CE2-CG2 4.12Å; F109-I149 HydrophobicContact CG-CD1 3.57Å; F109-I149 HydrophobicContact CG-CG1 3.75Å; F109-I149 HydrophobicContact CG-CG2 4.34Å; F109-I149 HydrophobicContact CZ-CG2 3.87Å; S147-I149 PolarHBondContact O-N 3.26Å; S147-I149 VanDerWaalsContact O-N 3.11Å; S147-I149 VanDerWaalsContact OG-CG1 3.3Å; S147-I149 WeakPolarHBondContact OG-CG1 3.18Å; I149-N151 PolarHBondContact O-N 3.48Å; I149-K152 WeakPolarHBondContact O-CB 3.3Å; I149-K152 PolarHBondContact O-N 2.99Å; I149-K152 VanDerWaalsContact O-N 3.14Å; I149-I237 HydrophobicContact CG2-CD1 4.14Å; I149-M307 HydrophobicContact CB-CE 4Å; I149-M307 HydrophobicContact CB-SD 4.45Å; I149-M307 HydrophobicContact CD1-CE 3.45Å; I149-M307 VanDerWaalsContact CD1-CE 3.45Å; I149-M307 HydrophobicContact CG1-CE 4.34Å; I149-M307 HydrophobicContact CG2-CE 3.86Å; I149-M307 HydrophobicContact CG2-SD 4.15Å
150	V	94.1	Very high	97.1	Very high	48 Å²	48	46.6 Å²	46.6	29%	0.291	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	131.2	175.5	174.7	0	0	0	0	109.1	A106 S147 K152	A106-V150 HydrophobicContact CB-CG2 4.28Å; S147-V150 PolarHBondContact O-N 3.27Å; V150-K152 PolarHBondContact O-N 2.83Å
151	N	92.3	Very high	97.1	Very high	142 Å²	142	43.9 Å²	43.9	76%	0.759	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	23.8	-176.2	-54	-33.3	0	0	0	114.2	I149	I149-N151 PolarHBondContact O-N 3.48Å
152	K	95.6	Very high	97.1	Very high	99 Å²	99	43.3 Å²	43.3	43%	0.43	23%	0.232	S	C	.	.			trans	-93.2	128.5	172.1	-60.7	-56.3	-177.3	-176.3	0	110.1	P148 I149 V150 Y154 M307	P148-K152 WeakPolarHBondContact O-CG 3.31Å; I149-K152 WeakPolarHBondContact O-CB 3.3Å; I149-K152 PolarHBondContact O-N 2.99Å; I149-K152 VanDerWaalsContact O-N 3.14Å; V150-K152 PolarHBondContact O-N 2.83Å; K152-Y154 HydrophobicContact CB-CE2 3.97Å; K152-M307 WeakPolarHBondContact O-CB 3.44Å
153	H	95.9	Very high	97.1	Very high	132 Å²	132	42.8 Å²	42.8	61%	0.611	23%	0.23	S	C	*	.			trans	-134.6	131.2	176	-64.2	-76	0	0	0	108.9	M307	H153-M307 CarbonylContact C-O 3.41Å; H153-M307 WeakPolarHBondContact CA-O 3.21Å
154	Y	98.1	Very high	97	Very high	56 Å²	56	42.7 Å²	42.7	22%	0.22	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	142.6	179.7	-56.9	-71	0	0	0	108.3	K152 D179 F180 M307 C308 E309	K152-Y154 HydrophobicContact CB-CE2 3.97Å; Y154-D179 HydrophobicContact CD1-CB 4.44Å; Y154-F180 HydrophobicContact CD1-CB 4.08Å; Y154-F180 HydrophobicContact CD1-CD2 4.08Å; Y154-F180 HydrophobicContact CD2-CB 4Å; Y154-F180 AromaticContact CD2-CD2 3.83Å; Y154-F180 HydrophobicContact CD2-CD2 3.83Å; Y154-F180 HydrophobicContact CD2-CG 4.06Å; Y154-F180 HydrophobicContact CE1-CB 4.49Å; Y154-F180 AromaticContact CE1-CD2 3.66Å; Y154-F180 HydrophobicContact CE1-CD2 3.66Å; Y154-F180 HydrophobicContact CE1-CE2 4.39Å; Y154-F180 HydrophobicContact CE2-CB 4.42Å; Y154-F180 AromaticContact CE2-CD2 3.37Å; Y154-F180 HydrophobicContact CE2-CD2 3.37Å; Y154-F180 AromaticContact CE2-CE2 3.72Å; Y154-F180 HydrophobicContact CE2-CE2 3.72Å; Y154-F180 HydrophobicContact CE2-CG 4.04Å; Y154-F180 HydrophobicContact CG-CB 3.82Å; Y154-F180 HydrophobicContact CG-CD2 4.17Å; Y154-F180 HydrophobicContact CG-CG 4.32Å; Y154-F180 AromaticContact CZ-CD2 3.27Å; Y154-F180 AromaticContact CZ-CE2 3.63Å; Y154-M307 HydrophobicContact CD2-CB 4.2Å; Y154-M307 HydrophobicContact CD2-CG 4Å; Y154-M307 HydrophobicContact CD2-SD 4.3Å; Y154-M307 HydrophobicContact CE2-CB 4.45Å; Y154-M307 HydrophobicContact CE2-CG 4.27Å; Y154-M307 HydrophobicContact CE2-SD 4.01Å; Y154-M307 PolarHBondContact N-O 2.88Å; Y154-C308 CarbonylContact O-C 3.55Å; Y154-C308 WeakPolarHBondContact O-CA 2.86Å; Y154-E309 PolarHBondContact O-N 2.85Å
155	N	97.9	Very high	96.9	Very high	89 Å²	89	41.6 Å²	41.6	48%	0.476	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	-65	-176.4	-178.3	36.8	0	0	0	109.7	D179 E309 E310	N155-D179 WeakPolarHBondContact CA-OD2 2.88Å; N155-D179 VanDerWaalsContact CB-OD2 3.24Å; N155-D179 WeakPolarHBondContact CB-OD2 3.09Å; N155-D179 PolarHBondContact N-OD2 3.04Å; N155-E309 CarbonylContact O-C 3.49Å; N155-E309 WeakPolarHBondContact O-CA 3.46Å; N155-E309 VanDerWaalsContact O-CB 3.28Å; N155-E309 WeakPolarHBondContact O-CB 3.38Å; N155-E309 PolarHBondContact O-N 2.04Å; N155-E310 PolarHBondContact O-N 2.87Å
156	V	98.1	Very high	97	Very high	30 Å²	30	36 Å²	36	18%	0.182	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	125.8	180	-158.4	0	0	0	0	110.5	F178 D179 E310	V156-F178 HydrophobicContact CB-CD1 3.96Å; V156-F178 HydrophobicContact CB-CE1 4.35Å; V156-F178 HydrophobicContact CG1-CD1 3.5Å; V156-F178 VanDerWaalsContact CG1-CD1 3.5Å; V156-F178 HydrophobicContact CG1-CE1 3.42Å; V156-F178 VanDerWaalsContact CG1-CE1 3.42Å; V156-D179 PolarHBondContact N-OD2 3.09Å; V156-D179 PolarHBondContact O-N 2.87Å; V156-E310 HydrophobicContact CG1-CB 4.12Å; V156-E310 HydrophobicContact CG1-CG 4.2Å
157	C	98.8	Very high	96.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	146.9	-179.8	-63.8	0	0	0	0	112.4	F178 F180 F182 C308 E310 I311 H312	C157-F178 VanDerWaalsContact C-CD1 3.42Å; C157-F180 VanDerWaalsContact CA-O 3.28Å; C157-F180 WeakPolarHBondContact CA-O 3.42Å; C157-F182 HydrophobicContact CB-CE2 4.09Å; C157-C308 HydrophobicContact CB-CB 3.6Å; C157-C308 WeakPolarHBondContact CB-SG 3.44Å; C157-C308 WeakPolarHBondContact SG-CB 3.38Å; C157-C308 CovalentContact SG-SG 2.02Å; C157-C308 PolarHBondContact SG-SG 3.03Å; C157-E310 PolarHBondContact N-O 2.89Å; C157-I311 WeakPolarHBondContact O-CA 3.42Å; C157-H312 PolarHBondContact O-N 3.2Å
158	A	98.9	Very high	96.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	131.9	167.9	0	0	0	0	0	110.4	I175 F178 F180 V181 F182 H312 Y314	A158-I175 HydrophobicContact CB-CG2 4.47Å; A158-F178 HydrophobicContact CB-CB 4.08Å; A158-F178 HydrophobicContact CB-CD1 4.09Å; A158-F178 HydrophobicContact CB-CD2 3.69Å; A158-F178 HydrophobicContact CB-CE1 4.46Å; A158-F178 HydrophobicContact CB-CE2 4.08Å; A158-F178 HydrophobicContact CB-CG 3.67Å; A158-F178 HydrophobicContact CB-CZ 4.45Å; A158-F180 PolarHBondContact N-O 2.84Å; A158-V181 HydrophobicContact CB-CG1 4.5Å; A158-V181 HydrophobicContact CB-CG2 4.4Å; A158-V181 WeakPolarHBondContact O-CA 3.25Å; A158-F182 PolarHBondContact O-N 2.96Å; A158-H312 CarbonylContact C-O 3.25Å; A158-H312 WeakPolarHBondContact CA-O 3.4Å; A158-Y314 HydrophobicContact CB-CD2 4.25Å; A158-Y314 HydrophobicContact CB-CE2 4.15Å
159	V	98.9	Very high	97	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	118	165.4	-175.3	0	0	0	0	108.1	F182 M300 A304 I311 H312 L313 Y314 F316	V159-F182 HydrophobicContact CB-CB 4.42Å; V159-F182 HydrophobicContact CG1-CB 4.24Å; V159-F182 HydrophobicContact CG2-CB 4.17Å; V159-F182 HydrophobicContact CG2-CD2 3.96Å; V159-F182 HydrophobicContact CG2-CG 4.25Å; V159-M300 HydrophobicContact CG1-CB 3.69Å; V159-A304 HydrophobicContact CG2-CB 3.91Å; V159-I311 HydrophobicContact CG2-CG2 3.91Å; V159-H312 PolarHBondContact N-O 3.3Å; V159-L313 HydrophobicContact CB-CD2 3.66Å; V159-L313 HydrophobicContact CG1-CD2 4.4Å; V159-L313 HydrophobicContact CG2-CD2 4.1Å; V159-L313 WeakPolarHBondContact O-CA 3.46Å; V159-Y314 PolarHBondContact O-N 3.23Å; V159-F316 HydrophobicContact CB-CE2 4.37Å; V159-F316 HydrophobicContact CG1-CE2 3.96Å; V159-F316 HydrophobicContact CG1-CZ 3.8Å; V159-F316 WeakPolarHBondContact O-CE2 3.44Å
160	V	98.9	Very high	97.1	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	105.2	-175.7	-170.5	0	0	0	0	109	L166 I175 V181 F182 R183 Y314	V160-L166 HydrophobicContact CG1-CD1 3.95Å; V160-I175 HydrophobicContact CG2-CD1 4.28Å; V160-I175 HydrophobicContact CG2-CG2 4.1Å; V160-V181 HydrophobicContact CG2-CG1 3.99Å; V160-F182 PolarHBondContact N-O 3.46Å; V160-R183 HydrophobicContact CB-CG 4.46Å; V160-Y314 WeakPolarHBondContact CA-O 3.42Å
161	G	98.6	Very high	97.3	Very high	5 Å²	5	42.2 Å²	42.2	5%	0.052	21%	0.213	C	C	.	.			trans	-74.1	177	164.7	0	0	0	0	0	111.5	Y314 G315	G161-Y314 PolarHBondContact N-O 2.66Å; G161-G315 CarbonylContact C-O 3.55Å
162	N	98.3	Very high	97.6	Very high	16 Å²	16	35.5 Å²	35.5	9%	0.086	18%	0.177	C	C	.	.			trans	-104.8	5.6	-168	-65.3	-5.1	0	0	0	114	C184 H332 Y333 Y334	N162-C184 PolarHBondContact ND2-O 2.78Å; N162-C184 PolarHBondContact OD1-O 3.08Å; N162-H332 CarbonylContact O-C 3.4Å; N162-H332 WeakPolarHBondContact O-CA 3.39Å; N162-Y333 HydrophobicContact CB-CE1 4.42Å; N162-Y333 WeakPolarHBondContact O-CD1 3.26Å; N162-Y333 PolarHBondContact O-N 3.15Å; N162-Y334 HydrophobicContact CB-CE1 3.9Å; N162-Y334 PolarHBondContact ND2-OH 3.4Å
163	S	97.9	Very high	97.7	Very high	8 Å²	8	34.6 Å²	34.6	6%	0.056	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-57.4	145.6	-172.6	176.5	0	0	0	0	113.7	V165 L166 G315 W317 Y331	S163-V165 PolarHBondContact O-N 3.42Å; S163-V165 VanDerWaalsContact O-N 3.09Å; S163-V165 PolarHBondContact OG-N 3.45Å; S163-L166 PolarHBondContact O-N 3.19Å; S163-G315 WeakPolarHBondContact CB-O 3.49Å; S163-G315 PolarHBondContact N-O 2.69Å; S163-G315 VanDerWaalsContact N-O 3.11Å; S163-W317 VanDerWaalsContact CB-O 3.26Å; S163-W317 WeakPolarHBondContact CB-O 3.48Å; S163-W317 WeakPolarHBondContact OG-CB 3.3Å; S163-W317 PolarHBondContact OG-O 2.85Å; S163-Y331 WeakPolarHBondContact CA-O 3.34Å
164	G	96.7	Very high	97.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-56.1	-19.2	172.2	0	0	0	0	0	115	L166 T167 P330 Y331	G164-L166 PolarHBondContact O-N 3.3Å; G164-T167 VanDerWaalsContact O-CB 3.25Å; G164-T167 WeakPolarHBondContact O-CB 3.37Å; G164-T167 PolarHBondContact O-N 3.43Å; G164-T167 PolarHBondContact O-OG1 3.23Å; G164-P330 WeakPolarHBondContact CA-O 3.42Å; G164-Y331 PolarHBondContact N-O 2.97Å
165	V	96.1	Very high	97.8	Very high	10 Å²	10	27.9 Å²	27.9	6%	0.061	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-57.6	-20.8	176.9	76.7	0	0	0	0	113.2	S163 T167 W317 P323 L329	S163-V165 PolarHBondContact O-N 3.42Å; S163-V165 VanDerWaalsContact O-N 3.09Å; S163-V165 PolarHBondContact OG-N 3.45Å; V165-T167 VanDerWaalsContact C-N 3.29Å; V165-T167 PolarHBondContact O-N 2.9Å; V165-W317 HydrophobicContact CB-CB 3.9Å; V165-W317 HydrophobicContact CB-CG 4.12Å; V165-W317 HydrophobicContact CG1-CB 3.71Å; V165-W317 HydrophobicContact CG1-CG 4.45Å; V165-W317 HydrophobicContact CG2-CB 4.35Å; V165-W317 HydrophobicContact CG2-CG 4.31Å; V165-P323 HydrophobicContact CG2-CG 4.35Å; V165-L329 HydrophobicContact CB-CD1 3.95Å; V165-L329 HydrophobicContact CG2-CD1 4.2Å
166	L	98	Very high	97.8	Very high	5 Å²	5	27 Å²	27	3%	0.026	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-73.6	-20.7	175.8	-68.5	171.5	0	0	0	113.1	V160 S163 G164 G168 S169 D195 V196 Y333	V160-L166 HydrophobicContact CG1-CD1 3.95Å; S163-L166 PolarHBondContact O-N 3.19Å; G164-L166 PolarHBondContact O-N 3.3Å; L166-G168 PolarHBondContact O-N 2.77Å; L166-G168 VanDerWaalsContact O-N 3.13Å; L166-S169 WeakPolarHBondContact O-CB 3.3Å; L166-S169 PolarHBondContact O-N 2.95Å; L166-S169 PolarHBondContact O-OG 2.86Å; L166-D195 WeakPolarHBondContact O-CB 3.47Å; L166-D195 VanDerWaalsContact O-CG 3.26Å; L166-V196 HydrophobicContact CB-CG1 4.01Å; L166-V196 HydrophobicContact CD1-CG1 3.85Å; L166-V196 HydrophobicContact CG-CG1 4.46Å; L166-Y333 HydrophobicContact CD1-CD1 4.02Å; L166-Y333 HydrophobicContact CD1-CE1 4.43Å
167	T	96.1	Very high	97.8	Very high	70 Å²	70	33.5 Å²	33.5	43%	0.429	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	115.9	-177.8	-49.8	0	0	0	0	111	G164 V165 S169	G164-T167 VanDerWaalsContact O-CB 3.25Å; G164-T167 WeakPolarHBondContact O-CB 3.37Å; G164-T167 PolarHBondContact O-N 3.43Å; G164-T167 PolarHBondContact O-OG1 3.23Å; V165-T167 VanDerWaalsContact C-N 3.29Å; V165-T167 PolarHBondContact O-N 2.9Å; T167-S169 VanDerWaalsContact C-N 3.25Å; T167-S169 PolarHBondContact O-N 3.27Å
168	G	95	Very high	97.8	Very high	35 Å²	35	34.1 Å²	34.1	36%	0.361	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	2.3	-178.3	0	0	0	0	0	115.2	L166 R170 D195	L166-G168 PolarHBondContact O-N 2.77Å; L166-G168 VanDerWaalsContact O-N 3.13Å; G168-R170 PolarHBondContact O-N 2.53Å; G168-D195 WeakPolarHBondContact CA-OD1 3.25Å; G168-D195 PolarHBondContact N-OD1 2.86Å; G168-D195 PolarHBondContact N-OD2 3.1Å
169	S	96.6	Very high	97.8	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.021	19%	0.191	C	C	.	.			trans	-66.8	-22.3	-178.9	66.2	0	0	0	0	113.9	L166 T167 C171 D195 H373 C374	L166-S169 WeakPolarHBondContact O-CB 3.3Å; L166-S169 PolarHBondContact O-N 2.95Å; L166-S169 PolarHBondContact O-OG 2.86Å; T167-S169 VanDerWaalsContact C-N 3.25Å; T167-S169 PolarHBondContact O-N 3.27Å; S169-C171 PolarHBondContact O-N 2.67Å; S169-C171 PolarHBondContact OG-N 3.24Å; S169-D195 PolarHBondContact N-OD1 2.79Å; S169-H373 CarbonylContact O-C 3.37Å; S169-H373 VanDerWaalsContact O-CA 3.29Å; S169-H373 WeakPolarHBondContact O-CA 3.46Å; S169-C374 PolarHBondContact O-N 3.13Å
170	R	97.7	Very high	97.8	Very high	184 Å²	184	37.5 Å²	37.5	69%	0.694	19%	0.192	S	C	*	.			trans	56.4	24.8	-174.6	-56.5	-176.5	-178.7	-131.1	2.4	114.4	G168 G172 P173 R194 D195	G168-R170 PolarHBondContact O-N 2.53Å; R170-G172 PolarHBondContact O-N 2.87Å; R170-P173 WeakPolarHBondContact O-CD 3.37Å; R170-R194 CarbonylContact C-O 3.57Å; R170-R194 VanDerWaalsContact C-O 3.28Å; R170-R194 VanDerWaalsContact CA-O 3.26Å; R170-R194 WeakPolarHBondContact CA-O 3.41Å; R170-D195 PolarHBondContact N-OD1 3.22Å
171	C	98.4	Very high	97.8	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.007	19%	0.192	C	C	.	.			trans	-75.5	-3.6	179.6	-69	0	0	0	0	114.7	S169 E174 I175 D195 Y314 C374	S169-C171 PolarHBondContact O-N 2.67Å; S169-C171 PolarHBondContact OG-N 3.24Å; C171-E174 PolarHBondContact O-N 3Å; C171-E174 VanDerWaalsContact O-N 3.15Å; C171-I175 HydrophobicContact CB-CD1 4.03Å; C171-I175 HydrophobicContact CB-CG1 4.5Å; C171-I175 VanDerWaalsContact O-CG1 3.32Å; C171-I175 WeakPolarHBondContact O-CG1 3.48Å; C171-I175 PolarHBondContact O-N 3.28Å; C171-D195 CarbonylContact C-O 3.58Å; C171-D195 WeakPolarHBondContact CB-O 3.44Å; C171-D195 PolarHBondContact N-O 2.77Å; C171-Y314 HydrophobicContact CB-CD1 4.05Å; C171-Y314 HydrophobicContact CB-CE1 4.12Å; C171-C374 WeakPolarHBondContact CA-SG 3.48Å; C171-C374 HydrophobicContact CB-CB 3.86Å; C171-C374 WeakPolarHBondContact CB-SG 3.3Å; C171-C374 WeakPolarHBondContact SG-CB 3.24Å; C171-C374 CovalentContact SG-SG 2.04Å; C171-C374 PolarHBondContact SG-SG 3.44Å
172	G	98.4	Very high	97.8	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-55.3	-53.7	-178.2	0	0	0	0	0	113.9	R170 E174 I175 E176 H193 R194 D195 G197	R170-G172 PolarHBondContact O-N 2.87Å; G172-E174 PolarHBondContact O-N 2.97Å; G172-I175 PolarHBondContact O-N 3.45Å; G172-E176 VanDerWaalsContact O-CG 3.29Å; G172-E176 WeakPolarHBondContact O-CG 3.44Å; G172-E176 PolarHBondContact O-N 2.96Å; G172-H193 WeakPolarHBondContact CA-O 3.36Å; G172-R194 WeakPolarHBondContact CA-O 3.37Å; G172-R194 PolarHBondContact N-O 2.94Å; G172-D195 PolarHBondContact N-O 3.28Å; G172-D195 VanDerWaalsContact N-O 3.14Å; G172-G197 VanDerWaalsContact CA-N 3.31Å
173	P	98.4	Very high	97.8	Very high	80 Å²	80	36.6 Å²	36.6	52%	0.519	19%	0.186	S	C	.	.	H	α-helix	trans	-60.2	-28.3	177.3	-26.1	36.2	0	0	0	114.7	R170 K177	R170-P173 WeakPolarHBondContact O-CD 3.37Å; P173-K177 WeakPolarHBondContact O-CE 3.46Å; P173-K177 WeakPolarHBondContact O-CG 3.47Å
174	E	98.1	Very high	97.8	Very high	48 Å²	48	36.4 Å²	36.4	22%	0.224	18%	0.184	C	C	.	.	H	α-helix	trans	-73.9	-48.1	173.6	-171.4	173.6	139.9	0	0	110.5	C171 G172 E176 K177 F178 Y314 K368 C374	C171-E174 PolarHBondContact O-N 3Å; C171-E174 VanDerWaalsContact O-N 3.15Å; G172-E174 PolarHBondContact O-N 2.97Å; E174-E176 VanDerWaalsContact C-N 3.26Å; E174-E176 PolarHBondContact O-N 2.88Å; E174-K177 WeakPolarHBondContact O-CB 3.33Å; E174-K177 PolarHBondContact O-N 3.24Å; E174-K177 VanDerWaalsContact O-N 3.08Å; E174-F178 HydrophobicContact CG-CE2 4.28Å; E174-F178 WeakPolarHBondContact O-CD2 3.32Å; E174-F178 WeakPolarHBondContact O-CE2 3.12Å; E174-Y314 PolarHBondContact OE1-OH 3.14Å; E174-K368 IonicContact OE1-NZ 2.82Å; E174-K368 PolarHBondContact OE1-NZ 3.1Å; E174-C374 HydrophobicContact CB-CB 4.47Å; E174-C374 PolarHBondContact OE2-SG 3.29Å
175	I	98.7	Very high	97.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.3	-34.3	179.8	-68.5	164.7	0	0	0	112.2	A158 V160 C171 G172 K177 F178 V181 Y314	A158-I175 HydrophobicContact CB-CG2 4.47Å; V160-I175 HydrophobicContact CG2-CD1 4.28Å; V160-I175 HydrophobicContact CG2-CG2 4.1Å; C171-I175 HydrophobicContact CB-CD1 4.03Å; C171-I175 HydrophobicContact CB-CG1 4.5Å; C171-I175 VanDerWaalsContact O-CG1 3.32Å; C171-I175 WeakPolarHBondContact O-CG1 3.48Å; C171-I175 PolarHBondContact O-N 3.28Å; G172-I175 PolarHBondContact O-N 3.45Å; I175-K177 PolarHBondContact O-N 2.9Å; I175-F178 WeakPolarHBondContact O-CD2 3.45Å; I175-F178 PolarHBondContact O-N 3.03Å; I175-V181 HydrophobicContact CG2-CG1 4Å; I175-V181 HydrophobicContact CG2-CG2 4.24Å; I175-Y314 HydrophobicContact CD1-CD1 4.07Å; I175-Y314 HydrophobicContact CD1-CD2 4.35Å; I175-Y314 HydrophobicContact CD1-CG 3.97Å; I175-Y314 HydrophobicContact CG1-CD1 4.14Å; I175-Y314 HydrophobicContact CG1-CD2 3.99Å; I175-Y314 HydrophobicContact CG1-CE1 4.17Å; I175-Y314 HydrophobicContact CG1-CE2 4.02Å; I175-Y314 HydrophobicContact CG1-CG 4.05Å
176	E	97.9	Very high	97.9	Very high	71 Å²	71	40.1 Å²	40.1	33%	0.332	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-25.5	177.8	-73.5	-73.4	160	0	0	114	G172 E174 R198 R199	G172-E176 VanDerWaalsContact O-CG 3.29Å; G172-E176 WeakPolarHBondContact O-CG 3.44Å; G172-E176 PolarHBondContact O-N 2.96Å; E174-E176 VanDerWaalsContact C-N 3.26Å; E174-E176 PolarHBondContact O-N 2.88Å; E176-R198 WeakPolarHBondContact OE1-CA 3.29Å; E176-R198 WeakPolarHBondContact OE1-CB 3.37Å; E176-R198 PolarHBondContact OE1-N 3.37Å; E176-R199 WeakPolarHBondContact O-CD 3.02Å; E176-R199 PolarHBondContact O-NH1 3.46Å; E176-R199 PolarHBondContact OE1-N 3.21Å; E176-R199 VanDerWaalsContact OE2-CB 3.31Å; E176-R199 WeakPolarHBondContact OE2-CB 3.3Å
177	K	97.8	Very high	97.9	Very high	166 Å²	166	40.4 Å²	40.4	72%	0.722	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-16.3	-174.9	-64.3	171.2	-173.9	173.8	0	113.7	P173 E174 I175	P173-K177 WeakPolarHBondContact O-CE 3.46Å; P173-K177 WeakPolarHBondContact O-CG 3.47Å; E174-K177 WeakPolarHBondContact O-CB 3.33Å; E174-K177 PolarHBondContact O-N 3.24Å; E174-K177 VanDerWaalsContact O-N 3.08Å; I175-K177 PolarHBondContact O-N 2.9Å
178	F	98.4	Very high	97.9	Very high	13 Å²	13	39.4 Å²	39.4	6%	0.057	20%	0.2	C	C	.	.	S	Bend	trans	-69.6	148.6	-179.6	-69.7	-92	0	0	0	111.6	V156 C157 A158 E174 I175 F180 V181 R199 H312 Y314	V156-F178 HydrophobicContact CB-CD1 3.96Å; V156-F178 HydrophobicContact CB-CE1 4.35Å; V156-F178 HydrophobicContact CG1-CD1 3.5Å; V156-F178 VanDerWaalsContact CG1-CD1 3.5Å; V156-F178 HydrophobicContact CG1-CE1 3.42Å; V156-F178 VanDerWaalsContact CG1-CE1 3.42Å; C157-F178 VanDerWaalsContact C-CD1 3.42Å; A158-F178 HydrophobicContact CB-CB 4.08Å; A158-F178 HydrophobicContact CB-CD1 4.09Å; A158-F178 HydrophobicContact CB-CD2 3.69Å; A158-F178 HydrophobicContact CB-CE1 4.46Å; A158-F178 HydrophobicContact CB-CE2 4.08Å; A158-F178 HydrophobicContact CB-CG 3.67Å; A158-F178 HydrophobicContact CB-CZ 4.45Å; E174-F178 HydrophobicContact CG-CE2 4.28Å; E174-F178 WeakPolarHBondContact O-CD2 3.32Å; E174-F178 WeakPolarHBondContact O-CE2 3.12Å; I175-F178 WeakPolarHBondContact O-CD2 3.45Å; I175-F178 PolarHBondContact O-N 3.03Å; F178-F180 VanDerWaalsContact C-N 3.28Å; F178-F180 PolarHBondContact O-N 3.1Å; F178-V181 HydrophobicContact CB-CG2 4.32Å; F178-R199 PolarHBondContact O-NE 3.2Å; F178-R199 VanDerWaalsContact O-NE 3.17Å; F178-R199 PolarHBondContact O-NH1 3.05Å; F178-R199 VanDerWaalsContact O-NH1 3.08Å; F178-R199 PolarHBondContact O-NH2 2.82Å; F178-H312 HydrophobicContact CE1-CB 3.59Å; F178-H312 AromaticContact CE1-CD2 3.94Å; F178-H312 AromaticContact CE1-CE1 3.99Å; F178-H312 AromaticContact CE1-CG 3.43Å; F178-H312 VanDerWaalsContact CE1-CG 3.43Å; F178-H312 AromaticContact CE1-ND1 3.5Å; F178-H312 HydrophobicContact CZ-CB 3.6Å; F178-H312 AromaticContact CZ-CG 3.57Å; F178-H312 AromaticContact CZ-ND1 3.29Å; F178-H312 VanDerWaalsContact CZ-ND1 3.29Å; F178-H312 WeakPolarHBondContact CZ-ND1 3.36Å; F178-Y314 AromaticContact CE2-CE2 3.85Å; F178-Y314 HydrophobicContact CE2-CE2 3.85Å; F178-Y314 AromaticContact CE2-CZ 4Å; F178-Y314 WeakPolarHBondContact CE2-OH 3.44Å; F178-Y314 AromaticContact CZ-CE2 3.89Å; F178-Y314 HydrophobicContact CZ-CE2 3.89Å; F178-Y314 VanDerWaalsContact CZ-OH 3.29Å; F178-Y314 WeakPolarHBondContact CZ-OH 3.25Å
179	D	98.3	Very high	98.1	Very high	65 Å²	65	38.5 Å²	38.5	35%	0.348	19%	0.188	S	C	.	.	S	Bend	trans	-66.4	-35.1	-179.4	-60.3	-49.2	0	0	0	111.7	Y154 N155 V156 R199	Y154-D179 HydrophobicContact CD1-CB 4.44Å; N155-D179 WeakPolarHBondContact CA-OD2 2.88Å; N155-D179 VanDerWaalsContact CB-OD2 3.24Å; N155-D179 WeakPolarHBondContact CB-OD2 3.09Å; N155-D179 PolarHBondContact N-OD2 3.04Å; V156-D179 PolarHBondContact N-OD2 3.09Å; V156-D179 PolarHBondContact O-N 2.87Å; D179-R199 PolarHBondContact O-NH2 3.11Å
180	F	98.8	Very high	97.9	Very high	5 Å²	5	42.2 Å²	42.2	2%	0.022	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	129.5	180	-160.4	-78.9	0	0	0	111.7	Y154 C157 A158 F178 F182 N201 L202	Y154-F180 HydrophobicContact CD1-CB 4.08Å; Y154-F180 HydrophobicContact CD1-CD2 4.08Å; Y154-F180 HydrophobicContact CD2-CB 4Å; Y154-F180 AromaticContact CD2-CD2 3.83Å; Y154-F180 HydrophobicContact CD2-CD2 3.83Å; Y154-F180 HydrophobicContact CD2-CG 4.06Å; Y154-F180 HydrophobicContact CE1-CB 4.49Å; Y154-F180 AromaticContact CE1-CD2 3.66Å; Y154-F180 HydrophobicContact CE1-CD2 3.66Å; Y154-F180 HydrophobicContact CE1-CE2 4.39Å; Y154-F180 HydrophobicContact CE2-CB 4.42Å; Y154-F180 AromaticContact CE2-CD2 3.37Å; Y154-F180 HydrophobicContact CE2-CD2 3.37Å; Y154-F180 AromaticContact CE2-CE2 3.72Å; Y154-F180 HydrophobicContact CE2-CE2 3.72Å; Y154-F180 HydrophobicContact CE2-CG 4.04Å; Y154-F180 HydrophobicContact CG-CB 3.82Å; Y154-F180 HydrophobicContact CG-CD2 4.17Å; Y154-F180 HydrophobicContact CG-CG 4.32Å; Y154-F180 AromaticContact CZ-CD2 3.27Å; Y154-F180 AromaticContact CZ-CE2 3.63Å; C157-F180 VanDerWaalsContact CA-O 3.28Å; C157-F180 WeakPolarHBondContact CA-O 3.42Å; A158-F180 PolarHBondContact N-O 2.84Å; F178-F180 VanDerWaalsContact C-N 3.28Å; F178-F180 PolarHBondContact O-N 3.1Å; F180-F182 HydrophobicContact CD1-CD1 4.35Å; F180-F182 AromaticContact CD1-CD2 3.58Å; F180-F182 HydrophobicContact CD1-CD2 3.58Å; F180-F182 HydrophobicContact CD1-CE1 4.06Å; F180-F182 AromaticContact CD1-CE2 3.22Å; F180-F182 HydrophobicContact CD1-CE2 3.22Å; F180-F182 HydrophobicContact CD1-CG 4.12Å; F180-F182 AromaticContact CD1-CZ 3.47Å; F180-F182 HydrophobicContact CD1-CZ 3.47Å; F180-F182 VanDerWaalsContact CD1-CZ 3.47Å; F180-F182 AromaticContact CE1-CD1 3.86Å; F180-F182 HydrophobicContact CE1-CD1 3.86Å; F180-F182 AromaticContact CE1-CD2 3.94Å; F180-F182 HydrophobicContact CE1-CD2 3.94Å; F180-F182 AromaticContact CE1-CE1 3.55Å; F180-F182 HydrophobicContact CE1-CE1 3.55Å; F180-F182 AromaticContact CE1-CE2 3.65Å; F180-F182 HydrophobicContact CE1-CE2 3.65Å; F180-F182 HydrophobicContact CE1-CG 4.03Å; F180-F182 AromaticContact CE1-CZ 3.42Å; F180-F182 HydrophobicContact CE1-CZ 3.42Å; F180-F182 VanDerWaalsContact CE1-CZ 3.42Å; F180-F182 HydrophobicContact CG-CE2 4.19Å; F180-F182 HydrophobicContact CG-CZ 4.45Å; F180-F182 HydrophobicContact CZ-CE1 4.44Å; F180-F182 HydrophobicContact CZ-CZ 4.38Å; F180-N201 WeakPolarHBondContact CA-OD1 3.15Å; F180-N201 HydrophobicContact CD1-CB 3.72Å; F180-N201 HydrophobicContact CD2-CB 3.48Å; F180-N201 VanDerWaalsContact CD2-CB 3.48Å; F180-N201 HydrophobicContact CE1-CB 3.65Å; F180-N201 HydrophobicContact CE2-CB 3.44Å; F180-N201 VanDerWaalsContact CE2-CB 3.44Å; F180-N201 HydrophobicContact CG-CB 3.66Å; F180-N201 HydrophobicContact CZ-CB 3.52Å; F180-L202 HydrophobicContact CE1-CB 3.64Å; F180-L202 HydrophobicContact CZ-CB 3.84Å
181	V	98.9	Very high	97.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	117.5	179.6	-175.2	0	0	0	0	110.9	A158 V160 I175 F178 R183 R199 N201 L202	A158-V181 HydrophobicContact CB-CG1 4.5Å; A158-V181 HydrophobicContact CB-CG2 4.4Å; A158-V181 WeakPolarHBondContact O-CA 3.25Å; V160-V181 HydrophobicContact CG2-CG1 3.99Å; I175-V181 HydrophobicContact CG2-CG1 4Å; I175-V181 HydrophobicContact CG2-CG2 4.24Å; F178-V181 HydrophobicContact CB-CG2 4.32Å; V181-R183 HydrophobicContact CG1-CG 4.24Å; V181-R199 HydrophobicContact CB-CG 4.37Å; V181-R199 WeakPolarHBondContact CG1-O 3.31Å; V181-R199 HydrophobicContact CG2-CB 4.18Å; V181-R199 HydrophobicContact CG2-CG 3.82Å; V181-N201 PolarHBondContact N-OD1 3.04Å; V181-N201 PolarHBondContact O-N 2.91Å; V181-L202 PolarHBondContact O-N 2.88Å; V181-L202 VanDerWaalsContact O-N 3.1Å
182	F	98.9	Very high	97.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	132.9	171.6	-59.1	-102.3	0	0	0	110	C157 A158 V159 V160 F180 L202 M300 A304 M307	C157-F182 HydrophobicContact CB-CE2 4.09Å; A158-F182 PolarHBondContact O-N 2.96Å; V159-F182 HydrophobicContact CB-CB 4.42Å; V159-F182 HydrophobicContact CG1-CB 4.24Å; V159-F182 HydrophobicContact CG2-CB 4.17Å; V159-F182 HydrophobicContact CG2-CD2 3.96Å; V159-F182 HydrophobicContact CG2-CG 4.25Å; V160-F182 PolarHBondContact N-O 3.46Å; F180-F182 HydrophobicContact CD1-CD1 4.35Å; F180-F182 AromaticContact CD1-CD2 3.58Å; F180-F182 HydrophobicContact CD1-CD2 3.58Å; F180-F182 HydrophobicContact CD1-CE1 4.06Å; F180-F182 AromaticContact CD1-CE2 3.22Å; F180-F182 HydrophobicContact CD1-CE2 3.22Å; F180-F182 HydrophobicContact CD1-CG 4.12Å; F180-F182 AromaticContact CD1-CZ 3.47Å; F180-F182 HydrophobicContact CD1-CZ 3.47Å; F180-F182 VanDerWaalsContact CD1-CZ 3.47Å; F180-F182 AromaticContact CE1-CD1 3.86Å; F180-F182 HydrophobicContact CE1-CD1 3.86Å; F180-F182 AromaticContact CE1-CD2 3.94Å; F180-F182 HydrophobicContact CE1-CD2 3.94Å; F180-F182 AromaticContact CE1-CE1 3.55Å; F180-F182 HydrophobicContact CE1-CE1 3.55Å; F180-F182 AromaticContact CE1-CE2 3.65Å; F180-F182 HydrophobicContact CE1-CE2 3.65Å; F180-F182 HydrophobicContact CE1-CG 4.03Å; F180-F182 AromaticContact CE1-CZ 3.42Å; F180-F182 HydrophobicContact CE1-CZ 3.42Å; F180-F182 VanDerWaalsContact CE1-CZ 3.42Å; F180-F182 HydrophobicContact CG-CE2 4.19Å; F180-F182 HydrophobicContact CG-CZ 4.45Å; F180-F182 HydrophobicContact CZ-CE1 4.44Å; F180-F182 HydrophobicContact CZ-CZ 4.38Å; F182-L202 CarbonylContact C-O 3.54Å; F182-L202 WeakPolarHBondContact CA-O 3.4Å; F182-L202 HydrophobicContact CD1-CB 4.06Å; F182-L202 HydrophobicContact CD1-CD1 4.03Å; F182-L202 HydrophobicContact CD1-CD2 4.11Å; F182-L202 HydrophobicContact CD1-CG 4.31Å; F182-L202 HydrophobicContact CE1-CD1 4.04Å; F182-M300 HydrophobicContact CD1-SD 4.38Å; F182-A304 HydrophobicContact CD2-CB 4.03Å; F182-A304 HydrophobicContact CE1-CB 4.23Å; F182-A304 HydrophobicContact CE2-CB 3.54Å; F182-A304 HydrophobicContact CZ-CB 3.67Å; F182-M307 HydrophobicContact CE1-CE 4.45Å; F182-M307 HydrophobicContact CE1-SD 4.18Å; F182-M307 HydrophobicContact CZ-CE 4.39Å; F182-M307 HydrophobicContact CZ-CG 4.11Å; F182-M307 HydrophobicContact CZ-SD 3.7Å
183	R	98.8	Very high	97.8	Very high	3 Å²	3	44.9 Å²	44.9	1%	0.011	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	155.7	174.7	-60.3	-170.9	-176.4	-85	-3.6	111.4	V160 V181 V196 G197 R199 T200 L202 T203 T204	V160-R183 HydrophobicContact CB-CG 4.46Å; V181-R183 HydrophobicContact CG1-CG 4.24Å; R183-V196 VanDerWaalsContact CZ-O 3.27Å; R183-V196 PolarHBondContact NH1-O 3.32Å; R183-V196 PolarHBondContact NH2-O 2.81Å; R183-G197 PolarHBondContact NH2-O 2.94Å; R183-R199 PolarHBondContact NE-O 3.44Å; R183-R199 VanDerWaalsContact NE-O 3.08Å; R183-R199 PolarHBondContact NH2-O 3.13Å; R183-T200 VanDerWaalsContact CD-OG1 3.28Å; R183-T200 WeakPolarHBondContact CD-OG1 3.05Å; R183-T200 HydrophobicContact CG-CG2 4.27Å; R183-T200 PolarHBondContact NE-OG1 3.27Å; R183-L202 PolarHBondContact N-O 3.01Å; R183-T203 WeakPolarHBondContact O-CA 3.29Å; R183-T204 PolarHBondContact O-N 3.1Å; R183-T204 VanDerWaalsContact O-N 3.1Å
184	C	98.2	Very high	97.8	Very high	4 Å²	4	49.9 Å²	49.9	3%	0.027	24%	0.236	C	C	.	.	S	Bend	trans	-109.1	131.5	-175.2	-60.9	0	0	0	0	112	N162 F186 A187 T296	N162-C184 PolarHBondContact ND2-O 2.78Å; N162-C184 PolarHBondContact OD1-O 3.08Å; C184-F186 PolarHBondContact O-N 2.78Å; C184-A187 WeakPolarHBondContact O-CB 3.22Å; C184-A187 PolarHBondContact O-N 2.92Å; C184-T296 HydrophobicContact CB-CG2 4.05Å
185	N	97.4	Very high	97.8	Very high	58 Å²	58	48.8 Å²	48.8	31%	0.31	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	43.2	166.5	-51.6	-53.3	0	0	0	113.8	A187 T204 I209 T296	N185-A187 PolarHBondContact O-N 2.85Å; N185-A187 VanDerWaalsContact O-N 3.15Å; N185-T204 CarbonylContact C-O 3.28Å; N185-T204 WeakPolarHBondContact CA-O 3.34Å; N185-T204 PolarHBondContact N-O 3.2Å; N185-T204 PolarHBondContact N-OG1 3.47Å; N185-I209 HydrophobicContact CB-CD1 4.34Å; N185-I209 WeakPolarHBondContact O-CD1 3.06Å; N185-T296 PolarHBondContact OD1-OG1 3.35Å
186	F	97.9	Very high	97.8	Very high	31 Å²	31	48.8 Å²	48.8	14%	0.136	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	36.6	176.4	-149.7	-110.8	0	0	0	113.2	C184 T203 T204 F205 I209 Y214 L230 L233 L238	C184-F186 PolarHBondContact O-N 2.78Å; F186-T203 WeakPolarHBondContact CA-OG1 3.22Å; F186-T203 HydrophobicContact CD2-CG2 3.76Å; F186-T203 HydrophobicContact CE2-CG2 4.28Å; F186-T203 PolarHBondContact N-OG1 3.28Å; F186-T204 PolarHBondContact N-O 3.27Å; F186-F205 HydrophobicContact CB-CD2 3.81Å; F186-F205 HydrophobicContact CB-CE2 4.31Å; F186-F205 HydrophobicContact CD1-CD2 4.36Å; F186-F205 HydrophobicContact CD1-CE2 4.21Å; F186-F205 AromaticContact CD2-CD2 3.66Å; F186-F205 HydrophobicContact CD2-CD2 3.66Å; F186-F205 HydrophobicContact CD2-CE2 4.22Å; F186-F205 HydrophobicContact CE2-CD2 4.24Å; F186-F205 AromaticContact CG-CD2 3.71Å; F186-F205 HydrophobicContact CG-CD2 3.71Å; F186-F205 HydrophobicContact CG-CE2 4.02Å; F186-I209 HydrophobicContact CB-CD1 3.82Å; F186-I209 HydrophobicContact CB-CG2 4.46Å; F186-Y214 HydrophobicContact CE1-CE2 4.45Å; F186-Y214 WeakPolarHBondContact CE1-OH 3.4Å; F186-L230 HydrophobicContact CE2-CD2 4.33Å; F186-L230 HydrophobicContact CZ-CD2 4.38Å; F186-L233 HydrophobicContact CD2-CD1 4.44Å; F186-L233 HydrophobicContact CE2-CD1 3.64Å; F186-L233 HydrophobicContact CE2-CG 4.3Å; F186-L233 HydrophobicContact CZ-CD1 4.48Å; F186-L238 HydrophobicContact CD2-CD1 3.85Å; F186-L238 HydrophobicContact CE2-CD1 3.9Å
187	A	97.4	Very high	97.8	Very high	10 Å²	10	45.5 Å²	45.5	8%	0.083	22%	0.216	C	C	.	.			trans	-62.6	138.5	-176	0	0	0	0	0	111.8	C184 N185 Y333 Y334	C184-A187 WeakPolarHBondContact O-CB 3.22Å; C184-A187 PolarHBondContact O-N 2.92Å; N185-A187 PolarHBondContact O-N 2.85Å; N185-A187 VanDerWaalsContact O-N 3.15Å; A187-Y333 HydrophobicContact CB-CE1 4.44Å; A187-Y333 VanDerWaalsContact CB-OH 3.28Å; A187-Y333 WeakPolarHBondContact CB-OH 3.39Å; A187-Y334 HydrophobicContact CB-CD1 4.32Å; A187-Y334 HydrophobicContact CB-CE1 3.79Å
188	P	96.8	Very high	97.8	Very high	49 Å²	49	44.6 Å²	44.6	32%	0.318	21%	0.208	S	C	.	.			trans	-69.6	147.3	-175.9	29.4	-36.7	0	0	0	111.8	F192 Y333 Y334	P188-F192 HydrophobicContact CB-CD2 4.26Å; P188-F192 HydrophobicContact CB-CE2 4.21Å; P188-F192 HydrophobicContact CG-CD2 4.08Å; P188-F192 HydrophobicContact CG-CE2 3.8Å; P188-Y333 VanDerWaalsContact O-CE2 3.3Å; P188-Y333 WeakPolarHBondContact O-CE2 3.43Å; P188-Y333 PolarHBondContact O-OH 3.48Å; P188-Y334 HydrophobicContact CG-CD1 3.9Å; P188-Y334 HydrophobicContact CG-CG 3.78Å
189	T	97.5	Very high	97.8	Very high	16 Å²	16	48.2 Å²	48.2	10%	0.098	22%	0.221	C	C	.	.			trans	-124.8	-25	-178.1	59	0	0	0	0	113.3	I191 F192 H193 V196 G197	T189-I191 PolarHBondContact O-N 3.42Å; T189-F192 CarbonylContact O-C 3.51Å; T189-F192 PolarHBondContact O-N 2.96Å; T189-F192 VanDerWaalsContact O-N 3.11Å; T189-H193 VanDerWaalsContact O-CA 3.28Å; T189-H193 WeakPolarHBondContact O-CA 3.46Å; T189-H193 WeakPolarHBondContact O-CB 3.42Å; T189-H193 PolarHBondContact O-N 3.44Å; T189-V196 HydrophobicContact CG2-CG2 4.34Å; T189-G197 VanDerWaalsContact CB-O 3.3Å; T189-G197 WeakPolarHBondContact CB-O 3.09Å
190	E	93.4	Very high	97.8	Very high	82 Å²	82	46.3 Å²	46.3	38%	0.383	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-52.3	-162.4	-72.6	84.7	154.2	0	0	112.7	F192 H193 K232	E190-F192 VanDerWaalsContact C-N 3.3Å; E190-H193 PolarHBondContact O-ND1 3.27Å; E190-K232 WeakPolarHBondContact OE1-CD 3.48Å; E190-K232 IonicContact OE1-NZ 2.66Å; E190-K232 PolarHBondContact OE1-NZ 3.14Å
191	I	96.1	Very high	97.8	Very high	141 Å²	141	48.1 Å²	48.1	72%	0.723	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-13.7	178.4	70.8	178.5	0	0	0	112.4	T189	T189-I191 PolarHBondContact O-N 3.42Å
192	F	97.8	Very high	97.8	Very high	42 Å²	42	48.1 Å²	48.1	18%	0.184	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	3.7	-177	-55.1	-73.6	0	0	0	113.1	P188 T189 E190 R194 D195 V196 Y333 Y334	P188-F192 HydrophobicContact CB-CD2 4.26Å; P188-F192 HydrophobicContact CB-CE2 4.21Å; P188-F192 HydrophobicContact CG-CD2 4.08Å; P188-F192 HydrophobicContact CG-CE2 3.8Å; T189-F192 CarbonylContact O-C 3.51Å; T189-F192 PolarHBondContact O-N 2.96Å; T189-F192 VanDerWaalsContact O-N 3.11Å; E190-F192 VanDerWaalsContact C-N 3.3Å; F192-R194 PolarHBondContact O-N 3.43Å; F192-D195 PolarHBondContact O-N 2.8Å; F192-V196 HydrophobicContact CB-CG2 3.84Å; F192-V196 PolarHBondContact O-N 2.92Å; F192-Y333 HydrophobicContact CB-CD2 4.02Å; F192-Y333 HydrophobicContact CB-CE2 3.83Å; F192-Y333 AromaticContact CD1-CD2 3.95Å; F192-Y333 HydrophobicContact CD1-CD2 3.95Å; F192-Y333 HydrophobicContact CD1-CE2 4.39Å; F192-Y333 HydrophobicContact CD2-CD2 4.12Å; F192-Y333 AromaticContact CD2-CE2 3.77Å; F192-Y333 HydrophobicContact CD2-CE2 3.77Å; F192-Y333 HydrophobicContact CE1-CD2 4.48Å; F192-Y333 WeakPolarHBondContact CE1-O 3.34Å; F192-Y333 HydrophobicContact CE2-CE2 4.46Å; F192-Y333 AromaticContact CG-CD2 3.76Å; F192-Y333 HydrophobicContact CG-CD2 3.76Å; F192-Y333 AromaticContact CG-CE2 3.74Å; F192-Y333 HydrophobicContact CG-CE2 3.74Å; F192-Y334 VanDerWaalsContact CZ-CA 3.47Å
193	H	98.1	Very high	97.8	Very high	59 Å²	59	48.2 Å²	48.2	27%	0.273	22%	0.223	S	C	.	.	H	α-helix	trans	-58.9	-26.1	-167.6	66.5	-83.5	0	0	0	114.3	G172 T189 E190 D195 G197 R198	G172-H193 WeakPolarHBondContact CA-O 3.36Å; T189-H193 VanDerWaalsContact O-CA 3.28Å; T189-H193 WeakPolarHBondContact O-CA 3.46Å; T189-H193 WeakPolarHBondContact O-CB 3.42Å; T189-H193 PolarHBondContact O-N 3.44Å; E190-H193 PolarHBondContact O-ND1 3.27Å; H193-D195 PolarHBondContact O-N 3.18Å; H193-G197 VanDerWaalsContact O-CA 3.24Å; H193-G197 WeakPolarHBondContact O-CA 3.5Å; H193-G197 PolarHBondContact O-N 2.69Å; H193-R198 HydrophobicContact CB-CG 3.57Å; H193-R198 PolarHBondContact NE2-NH2 2.99Å
194	R	98.3	Very high	97.8	Very high	185 Å²	185	48.2 Å²	48.2	70%	0.698	22%	0.223	S	C	*	.	H	α-helix	trans	-62.2	-34.7	175.1	-67.5	-174.7	176.7	-179.3	-1.6	111.8	R170 G172 F192	R170-R194 CarbonylContact C-O 3.57Å; R170-R194 VanDerWaalsContact C-O 3.28Å; R170-R194 VanDerWaalsContact CA-O 3.26Å; R170-R194 WeakPolarHBondContact CA-O 3.41Å; G172-R194 WeakPolarHBondContact CA-O 3.37Å; G172-R194 PolarHBondContact N-O 2.94Å; F192-R194 PolarHBondContact O-N 3.43Å
195	D	98.6	Very high	97.8	Very high	25 Å²	25	48 Å²	48	13%	0.134	22%	0.222	C	C	.	.	H	α-helix	trans	-95.9	-37.7	-176.8	-69.3	-28.4	0	0	0	112.4	L166 G168 S169 R170 C171 G172 F192 H193	L166-D195 WeakPolarHBondContact O-CB 3.47Å; L166-D195 VanDerWaalsContact O-CG 3.26Å; G168-D195 WeakPolarHBondContact CA-OD1 3.25Å; G168-D195 PolarHBondContact N-OD1 2.86Å; G168-D195 PolarHBondContact N-OD2 3.1Å; S169-D195 PolarHBondContact N-OD1 2.79Å; R170-D195 PolarHBondContact N-OD1 3.22Å; C171-D195 CarbonylContact C-O 3.58Å; C171-D195 WeakPolarHBondContact CB-O 3.44Å; C171-D195 PolarHBondContact N-O 2.77Å; G172-D195 PolarHBondContact N-O 3.28Å; G172-D195 VanDerWaalsContact N-O 3.14Å; F192-D195 PolarHBondContact O-N 2.8Å; H193-D195 PolarHBondContact O-N 3.18Å
196	V	98.6	Very high	97.6	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-118.3	-4.5	-169.8	-49.4	0	0	0	0	114.8	L166 R183 T189 F192 Y333	L166-V196 HydrophobicContact CB-CG1 4.01Å; L166-V196 HydrophobicContact CD1-CG1 3.85Å; L166-V196 HydrophobicContact CG-CG1 4.46Å; R183-V196 VanDerWaalsContact CZ-O 3.27Å; R183-V196 PolarHBondContact NH1-O 3.32Å; R183-V196 PolarHBondContact NH2-O 2.81Å; T189-V196 HydrophobicContact CG2-CG2 4.34Å; F192-V196 HydrophobicContact CB-CG2 3.84Å; F192-V196 PolarHBondContact O-N 2.92Å; V196-Y333 HydrophobicContact CG1-CD1 4.16Å; V196-Y333 HydrophobicContact CG1-CD2 4.04Å; V196-Y333 HydrophobicContact CG1-CE1 4.09Å; V196-Y333 HydrophobicContact CG1-CE2 3.97Å; V196-Y333 HydrophobicContact CG1-CG 4.14Å; V196-Y333 HydrophobicContact CG2-CE2 4.09Å
197	G	98.3	Very high	97.3	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.01	21%	0.21	C	C	.	.			trans	69.9	173.4	-173.4	0	0	0	0	0	113	G172 R183 T189 H193	G172-G197 VanDerWaalsContact CA-N 3.31Å; R183-G197 PolarHBondContact NH2-O 2.94Å; T189-G197 VanDerWaalsContact CB-O 3.3Å; T189-G197 WeakPolarHBondContact CB-O 3.09Å; H193-G197 VanDerWaalsContact O-CA 3.24Å; H193-G197 WeakPolarHBondContact O-CA 3.5Å; H193-G197 PolarHBondContact O-N 2.69Å
198	R	97.8	Very high	97	Very high	148 Å²	148	47.2 Å²	47.2	56%	0.558	22%	0.221	S	C	*	.	S	Bend	trans	-106.5	-33.5	173.8	-58.8	-177.4	179.6	153.5	1.9	112.3	E176 H193 T200	E176-R198 WeakPolarHBondContact OE1-CA 3.29Å; E176-R198 WeakPolarHBondContact OE1-CB 3.37Å; E176-R198 PolarHBondContact OE1-N 3.37Å; H193-R198 HydrophobicContact CB-CG 3.57Å; H193-R198 PolarHBondContact NE2-NH2 2.99Å; R198-T200 PolarHBondContact O-N 3.09Å; R198-T200 PolarHBondContact O-OG1 3.49Å; R198-T200 VanDerWaalsContact O-OG1 3.07Å
199	R	97.9	Very high	96.8	Very high	88 Å²	88	45.4 Å²	45.4	33%	0.332	21%	0.209	S	C	.	.			trans	-51.8	127.8	-179.4	-176.7	172.7	-173.9	152.9	-0.1	110.9	E176 F178 D179 V181 R183 N201	E176-R199 WeakPolarHBondContact O-CD 3.02Å; E176-R199 PolarHBondContact O-NH1 3.46Å; E176-R199 PolarHBondContact OE1-N 3.21Å; E176-R199 VanDerWaalsContact OE2-CB 3.31Å; E176-R199 WeakPolarHBondContact OE2-CB 3.3Å; F178-R199 PolarHBondContact O-NE 3.2Å; F178-R199 VanDerWaalsContact O-NE 3.17Å; F178-R199 PolarHBondContact O-NH1 3.05Å; F178-R199 VanDerWaalsContact O-NH1 3.08Å; F178-R199 PolarHBondContact O-NH2 2.82Å; D179-R199 PolarHBondContact O-NH2 3.11Å; V181-R199 HydrophobicContact CB-CG 4.37Å; V181-R199 WeakPolarHBondContact CG1-O 3.31Å; V181-R199 HydrophobicContact CG2-CB 4.18Å; V181-R199 HydrophobicContact CG2-CG 3.82Å; R183-R199 PolarHBondContact NE-O 3.44Å; R183-R199 VanDerWaalsContact NE-O 3.08Å; R183-R199 PolarHBondContact NH2-O 3.13Å; R199-N201 PolarHBondContact NE-OD1 2.8Å
200	T	98.6	Very high	96.7	Very high	25 Å²	25	44.6 Å²	44.6	15%	0.153	20%	0.204	C	C	.	.			trans	-144.1	116.4	-179.8	-56.7	0	0	0	0	107.2	R183 R198 T203 L233 A236	R183-T200 VanDerWaalsContact CD-OG1 3.28Å; R183-T200 WeakPolarHBondContact CD-OG1 3.05Å; R183-T200 HydrophobicContact CG-CG2 4.27Å; R183-T200 PolarHBondContact NE-OG1 3.27Å; R198-T200 PolarHBondContact O-N 3.09Å; R198-T200 PolarHBondContact O-OG1 3.49Å; R198-T200 VanDerWaalsContact O-OG1 3.07Å; T200-T203 HydrophobicContact CG2-CG2 4.36Å; T200-L233 HydrophobicContact CG2-CD2 4.03Å; T200-A236 VanDerWaalsContact O-CB 3.3Å; T200-A236 WeakPolarHBondContact O-CB 3.29Å
201	N	98.8	Very high	96.6	Very high	43 Å²	43	46.1 Å²	46.1	23%	0.23	21%	0.211	C	C	.	.	S	Bend	trans	-103.9	-28.1	175.1	-61.7	98	0	0	0	111.2	F180 V181 R199 A236 I237	F180-N201 WeakPolarHBondContact CA-OD1 3.15Å; F180-N201 HydrophobicContact CD1-CB 3.72Å; F180-N201 HydrophobicContact CD2-CB 3.48Å; F180-N201 VanDerWaalsContact CD2-CB 3.48Å; F180-N201 HydrophobicContact CE1-CB 3.65Å; F180-N201 HydrophobicContact CE2-CB 3.44Å; F180-N201 VanDerWaalsContact CE2-CB 3.44Å; F180-N201 HydrophobicContact CG-CB 3.66Å; F180-N201 HydrophobicContact CZ-CB 3.52Å; V181-N201 PolarHBondContact N-OD1 3.04Å; V181-N201 PolarHBondContact O-N 2.91Å; R199-N201 PolarHBondContact NE-OD1 2.8Å; N201-A236 WeakPolarHBondContact O-CA 3.45Å; N201-I237 PolarHBondContact O-N 3.4Å
202	L	98.8	Very high	96.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	137.1	169	-174.6	156.1	0	0	0	109.9	F109 F180 V181 F182 R183 T204 I237 W239 M300	F109-L202 HydrophobicContact CE2-CD1 3.76Å; F109-L202 HydrophobicContact CZ-CD1 3.52Å; F180-L202 HydrophobicContact CE1-CB 3.64Å; F180-L202 HydrophobicContact CZ-CB 3.84Å; V181-L202 PolarHBondContact O-N 2.88Å; V181-L202 VanDerWaalsContact O-N 3.1Å; F182-L202 CarbonylContact C-O 3.54Å; F182-L202 WeakPolarHBondContact CA-O 3.4Å; F182-L202 HydrophobicContact CD1-CB 4.06Å; F182-L202 HydrophobicContact CD1-CD1 4.03Å; F182-L202 HydrophobicContact CD1-CD2 4.11Å; F182-L202 HydrophobicContact CD1-CG 4.31Å; F182-L202 HydrophobicContact CE1-CD1 4.04Å; R183-L202 PolarHBondContact N-O 3.01Å; L202-T204 HydrophobicContact CD2-CG2 4.16Å; L202-I237 CarbonylContact C-O 3.34Å; L202-I237 VanDerWaalsContact CA-O 3.3Å; L202-I237 WeakPolarHBondContact CA-O 3.44Å; L202-I237 HydrophobicContact CB-CB 4.32Å; L202-I237 HydrophobicContact CD1-CB 4.33Å; L202-I237 HydrophobicContact CD1-CG2 4.21Å; L202-I237 HydrophobicContact CG-CB 4.15Å; L202-I237 HydrophobicContact CG-CG2 4.27Å; L202-W239 HydrophobicContact CD1-CB 4.43Å; L202-W239 HydrophobicContact CD2-CB 4.08Å; L202-W239 HydrophobicContact CG-CB 4.28Å; L202-M300 HydrophobicContact CD2-SD 3.65Å
203	T	98.8	Very high	96.2	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.018	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	136.5	163	-169.8	0	0	0	0	110.6	R183 F186 T200 L233 I237 L238 W239	R183-T203 WeakPolarHBondContact O-CA 3.29Å; F186-T203 WeakPolarHBondContact CA-OG1 3.22Å; F186-T203 HydrophobicContact CD2-CG2 3.76Å; F186-T203 HydrophobicContact CE2-CG2 4.28Å; F186-T203 PolarHBondContact N-OG1 3.28Å; T200-T203 HydrophobicContact CG2-CG2 4.36Å; T203-L233 HydrophobicContact CG2-CD1 3.83Å; T203-L233 HydrophobicContact CG2-CD2 4.08Å; T203-I237 PolarHBondContact N-O 2.66Å; T203-L238 HydrophobicContact CG2-CD1 3.83Å; T203-W239 PolarHBondContact O-N 3.39Å
204	T	98.8	Very high	96.1	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.012	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	149.7	174.1	65.8	0	0	0	0	111	R183 N185 F186 L202 W239 T296 M300	R183-T204 PolarHBondContact O-N 3.1Å; R183-T204 VanDerWaalsContact O-N 3.1Å; N185-T204 CarbonylContact C-O 3.28Å; N185-T204 WeakPolarHBondContact CA-O 3.34Å; N185-T204 PolarHBondContact N-O 3.2Å; N185-T204 PolarHBondContact N-OG1 3.47Å; F186-T204 PolarHBondContact N-O 3.27Å; L202-T204 HydrophobicContact CD2-CG2 4.16Å; T204-W239 CarbonylContact C-O 3.54Å; T204-W239 VanDerWaalsContact CA-O 3.24Å; T204-W239 WeakPolarHBondContact CA-O 3.14Å; T204-W239 HydrophobicContact CG2-CB 4.41Å; T204-W239 HydrophobicContact CG2-CE3 3.79Å; T204-W239 HydrophobicContact CG2-CZ3 4.49Å; T204-T296 HydrophobicContact CG2-CG2 3.93Å; T204-T296 VanDerWaalsContact OG1-CG2 3.29Å; T204-T296 WeakPolarHBondContact OG1-CG2 3.4Å; T204-M300 HydrophobicContact CG2-CE 3.37Å; T204-M300 HydrophobicContact CG2-CG 4.07Å; T204-M300 HydrophobicContact CG2-SD 3.29Å; T204-M300 WeakPolarHBondContact CG2-SD 3.19Å
205	F	98.3	Very high	96	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	20%	0.201	C	C	.	.			trans	-136.5	96.8	-179.1	-171.1	-86	0	0	0	110	F186 P207 I209 L210 F226 L238 W239 I240 P241 L255	F186-F205 HydrophobicContact CB-CD2 3.81Å; F186-F205 HydrophobicContact CB-CE2 4.31Å; F186-F205 HydrophobicContact CD1-CD2 4.36Å; F186-F205 HydrophobicContact CD1-CE2 4.21Å; F186-F205 AromaticContact CD2-CD2 3.66Å; F186-F205 HydrophobicContact CD2-CD2 3.66Å; F186-F205 HydrophobicContact CD2-CE2 4.22Å; F186-F205 HydrophobicContact CE2-CD2 4.24Å; F186-F205 AromaticContact CG-CD2 3.71Å; F186-F205 HydrophobicContact CG-CD2 3.71Å; F186-F205 HydrophobicContact CG-CE2 4.02Å; F205-P207 WeakPolarHBondContact O-CD 3.3Å; F205-I209 HydrophobicContact CD2-CB 4.45Å; F205-I209 HydrophobicContact CD2-CD1 4.05Å; F205-I209 HydrophobicContact CD2-CG2 4.23Å; F205-I209 HydrophobicContact CE1-CB 4.34Å; F205-I209 HydrophobicContact CE2-CB 3.92Å; F205-I209 HydrophobicContact CE2-CD1 4.34Å; F205-I209 HydrophobicContact CE2-CG2 3.5Å; F205-I209 VanDerWaalsContact CE2-CG2 3.5Å; F205-I209 HydrophobicContact CG-CD1 4.31Å; F205-I209 HydrophobicContact CZ-CB 3.86Å; F205-I209 HydrophobicContact CZ-CG2 3.78Å; F205-L210 HydrophobicContact CE1-CG 4.14Å; F205-L210 HydrophobicContact CZ-CD2 4.03Å; F205-L210 HydrophobicContact CZ-CG 3.94Å; F205-F226 AromaticContact CE2-CE2 3.68Å; F205-F226 HydrophobicContact CE2-CE2 3.68Å; F205-F226 HydrophobicContact CE2-CZ 4.22Å; F205-F226 AromaticContact CZ-CE2 3.65Å; F205-F226 HydrophobicContact CZ-CE2 3.65Å; F205-F226 AromaticContact CZ-CZ 3.88Å; F205-F226 HydrophobicContact CZ-CZ 3.88Å; F205-L238 HydrophobicContact CB-CD1 3.61Å; F205-L238 HydrophobicContact CB-CG 3.98Å; F205-L238 HydrophobicContact CD2-CD1 4.09Å; F205-L238 HydrophobicContact CG-CD1 4.12Å; F205-L238 HydrophobicContact CG-CG 4.49Å; F205-W239 PolarHBondContact N-O 2.67Å; F205-I240 HydrophobicContact CB-CG1 4.11Å; F205-I240 HydrophobicContact CD1-CG2 4.49Å; F205-I240 WeakPolarHBondContact O-CA 3.47Å; F205-P241 WeakPolarHBondContact O-CD 3.33Å; F205-L255 HydrophobicContact CD1-CD2 4.11Å; F205-L255 HydrophobicContact CE1-CD1 4.17Å; F205-L255 HydrophobicContact CE1-CD2 3.96Å
206	N	94.1	Very high	95.8	Very high	36 Å²	36	45 Å²	45	19%	0.193	21%	0.207	C	C	.	.			trans	-67	127.4	167.9	-174.8	-33.7	0	0	0	108.4	S208 I209	N206-S208 PolarHBondContact O-N 3.25Å; N206-S208 PolarHBondContact OD1-N 3.36Å; N206-S208 VanDerWaalsContact OD1-N 3.07Å; N206-S208 PolarHBondContact OD1-OG 3.4Å; N206-S208 VanDerWaalsContact OD1-OG 3.13Å; N206-I209 HydrophobicContact CB-CD1 4.43Å; N206-I209 VanDerWaalsContact O-CB 3.25Å; N206-I209 WeakPolarHBondContact O-CB 3.4Å; N206-I209 WeakPolarHBondContact O-CD1 3.38Å; N206-I209 WeakPolarHBondContact O-CG1 3.26Å; N206-I209 PolarHBondContact O-N 3.27Å
207	P	91.7	Very high	95.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-30.1	-179.8	-30.8	37.4	0	0	0	114.7	F205 I209 L210 I240 A242 V251	F205-P207 WeakPolarHBondContact O-CD 3.3Å; P207-I209 PolarHBondContact O-N 3.25Å; P207-L210 PolarHBondContact O-N 3.38Å; P207-I240 HydrophobicContact CG-CG2 4.01Å; P207-A242 HydrophobicContact CG-CB 4.39Å; P207-V251 HydrophobicContact CB-CB 4.41Å; P207-V251 HydrophobicContact CB-CG1 4.28Å; P207-V251 WeakPolarHBondContact O-CG1 3.46Å
208	S	89.4	Confident	95.6	Very high	46 Å²	46	51.6 Å²	51.6	32%	0.322	24%	0.241	S	C	.	.	H	α-helix	trans	-61.9	-12.2	176.5	67.4	0	0	0	0	114.7	N206 L210 E211 K212	N206-S208 PolarHBondContact O-N 3.25Å; N206-S208 PolarHBondContact OD1-N 3.36Å; N206-S208 VanDerWaalsContact OD1-N 3.07Å; N206-S208 PolarHBondContact OD1-OG 3.4Å; N206-S208 VanDerWaalsContact OD1-OG 3.13Å; S208-L210 PolarHBondContact O-N 3.24Å; S208-E211 PolarHBondContact O-N 3Å; S208-K212 WeakPolarHBondContact O-CB 3.49Å; S208-K212 PolarHBondContact O-N 3.09Å
209	I	93.6	Very high	95.6	Very high	11 Å²	11	47.5 Å²	47.5	6%	0.056	23%	0.232	C	C	.	.	H	α-helix	trans	-60	-37	170.4	-68.8	169.2	0	0	0	110.7	N185 F186 F205 N206 P207 K212 Y213 Y214	N185-I209 HydrophobicContact CB-CD1 4.34Å; N185-I209 WeakPolarHBondContact O-CD1 3.06Å; F186-I209 HydrophobicContact CB-CD1 3.82Å; F186-I209 HydrophobicContact CB-CG2 4.46Å; F205-I209 HydrophobicContact CD2-CB 4.45Å; F205-I209 HydrophobicContact CD2-CD1 4.05Å; F205-I209 HydrophobicContact CD2-CG2 4.23Å; F205-I209 HydrophobicContact CE1-CB 4.34Å; F205-I209 HydrophobicContact CE2-CB 3.92Å; F205-I209 HydrophobicContact CE2-CD1 4.34Å; F205-I209 HydrophobicContact CE2-CG2 3.5Å; F205-I209 VanDerWaalsContact CE2-CG2 3.5Å; F205-I209 HydrophobicContact CG-CD1 4.31Å; F205-I209 HydrophobicContact CZ-CB 3.86Å; F205-I209 HydrophobicContact CZ-CG2 3.78Å; N206-I209 HydrophobicContact CB-CD1 4.43Å; N206-I209 VanDerWaalsContact O-CB 3.25Å; N206-I209 WeakPolarHBondContact O-CB 3.4Å; N206-I209 WeakPolarHBondContact O-CD1 3.38Å; N206-I209 WeakPolarHBondContact O-CG1 3.26Å; N206-I209 PolarHBondContact O-N 3.27Å; P207-I209 PolarHBondContact O-N 3.25Å; I209-K212 PolarHBondContact O-N 2.91Å; I209-Y213 HydrophobicContact CB-CD2 4.46Å; I209-Y213 HydrophobicContact CG2-CD2 3.95Å; I209-Y213 WeakPolarHBondContact O-CB 3.38Å; I209-Y213 PolarHBondContact O-N 2.98Å; I209-Y214 HydrophobicContact CG2-CD2 4.35Å; I209-Y214 HydrophobicContact CG2-CE2 4.13Å
210	L	94.4	Very high	95.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.7	-45.5	176.1	-79.7	-170.7	0	0	0	111.9	F205 P207 S208 Y214 N215 N216 L217 F226 V251 L255	F205-L210 HydrophobicContact CE1-CG 4.14Å; F205-L210 HydrophobicContact CZ-CD2 4.03Å; F205-L210 HydrophobicContact CZ-CG 3.94Å; P207-L210 PolarHBondContact O-N 3.38Å; S208-L210 PolarHBondContact O-N 3.24Å; L210-Y214 HydrophobicContact CD2-CD2 4.14Å; L210-Y214 HydrophobicContact CD2-CG 4.29Å; L210-Y214 CarbonylContact O-C 3.59Å; L210-Y214 VanDerWaalsContact O-CA 3.3Å; L210-Y214 WeakPolarHBondContact O-CA 3.42Å; L210-Y214 PolarHBondContact O-N 3.16Å; L210-N215 PolarHBondContact O-N 2.86Å; L210-N216 PolarHBondContact O-N 3.3Å; L210-N216 VanDerWaalsContact O-N 3.11Å; L210-L217 HydrophobicContact CD1-CD1 3.94Å; L210-L217 HydrophobicContact CD1-CG 4.2Å; L210-L217 HydrophobicContact CD2-CD1 4.01Å; L210-L217 HydrophobicContact CD2-CD2 3.78Å; L210-L217 HydrophobicContact CD2-CG 3.87Å; L210-F226 HydrophobicContact CD2-CD1 3.98Å; L210-F226 HydrophobicContact CD2-CD2 3.87Å; L210-F226 HydrophobicContact CD2-CE1 3.87Å; L210-F226 HydrophobicContact CD2-CE2 3.78Å; L210-F226 HydrophobicContact CD2-CG 3.98Å; L210-F226 HydrophobicContact CD2-CZ 3.78Å; L210-V251 HydrophobicContact CB-CG1 3.61Å; L210-V251 HydrophobicContact CD1-CG1 3.94Å; L210-V251 HydrophobicContact CG-CG1 4.27Å; L210-L255 HydrophobicContact CD1-CB 3.82Å; L210-L255 HydrophobicContact CD1-CD1 3.78Å; L210-L255 HydrophobicContact CD1-CG 4.34Å; L210-L255 HydrophobicContact CG-CD1 4.32Å
211	E	91.6	Very high	95.5	Very high	114 Å²	114	54.4 Å²	54.4	53%	0.533	27%	0.271	S	S	.	.	H	α-helix	trans	-62.3	-46.8	177.5	-176.8	-179.4	-175.6	0	0	110.7	S208 N216 V251	S208-E211 PolarHBondContact O-N 3Å; E211-N216 VanDerWaalsContact CA-OD1 3.27Å; E211-N216 WeakPolarHBondContact CA-OD1 3.45Å; E211-N216 WeakPolarHBondContact CB-OD1 3.39Å; E211-V251 HydrophobicContact CB-CG2 4.46Å
212	K	91.3	Very high	95.5	Very high	143 Å²	143	53.7 Å²	53.7	62%	0.622	27%	0.267	S	S	*	.	H	α-helix	trans	-74.6	-36.4	-172.3	-173.3	174.1	178.2	-163.4	0	114.3	S208 I209	S208-K212 WeakPolarHBondContact O-CB 3.49Å; S208-K212 PolarHBondContact O-N 3.09Å; I209-K212 PolarHBondContact O-N 2.91Å
213	Y	94.1	Very high	95.4	Very high	129 Å²	129	56.3 Å²	56.3	51%	0.506	28%	0.277	S	S	.	.	H	α-helix	trans	-122.2	-14.2	-168.6	-62.2	-72.3	0	0	0	114.4	I209	I209-Y213 HydrophobicContact CB-CD2 4.46Å; I209-Y213 HydrophobicContact CG2-CD2 3.95Å; I209-Y213 WeakPolarHBondContact O-CB 3.38Å; I209-Y213 PolarHBondContact O-N 2.98Å
214	Y	96.3	Very high	95.4	Very high	28 Å²	28	59.7 Å²	59.7	11%	0.11	30%	0.295	C	S	.	.	H	α-helix	trans	-129.8	19.3	-178	-60.5	-83.4	0	0	0	112.6	F186 I209 L210 N216 L217 D222 N225 F226 S229	F186-Y214 HydrophobicContact CE1-CE2 4.45Å; F186-Y214 WeakPolarHBondContact CE1-OH 3.4Å; I209-Y214 HydrophobicContact CG2-CD2 4.35Å; I209-Y214 HydrophobicContact CG2-CE2 4.13Å; L210-Y214 HydrophobicContact CD2-CD2 4.14Å; L210-Y214 HydrophobicContact CD2-CG 4.29Å; L210-Y214 CarbonylContact O-C 3.59Å; L210-Y214 VanDerWaalsContact O-CA 3.3Å; L210-Y214 WeakPolarHBondContact O-CA 3.42Å; L210-Y214 PolarHBondContact O-N 3.16Å; Y214-N216 PolarHBondContact O-N 2.88Å; Y214-L217 PolarHBondContact O-N 3.46Å; Y214-D222 WeakPolarHBondContact O-CB 3.21Å; Y214-N225 HydrophobicContact CD1-CB 4.31Å; Y214-N225 HydrophobicContact CE1-CB 4.25Å; Y214-F226 HydrophobicContact CD1-CB 3.65Å; Y214-F226 HydrophobicContact CD1-CD2 4.16Å; Y214-F226 HydrophobicContact CD1-CG 4.33Å; Y214-F226 AromaticContact CD2-CD2 4Å; Y214-F226 HydrophobicContact CD2-CD2 4Å; Y214-F226 HydrophobicContact CE1-CB 3.94Å; Y214-F226 HydrophobicContact CE1-CD2 4.08Å; Y214-F226 AromaticContact CE2-CD2 3.91Å; Y214-F226 HydrophobicContact CE2-CD2 3.91Å; Y214-F226 HydrophobicContact CE2-CE2 4.48Å; Y214-F226 HydrophobicContact CG-CB 4.14Å; Y214-F226 HydrophobicContact CG-CD2 4.12Å; Y214-F226 HydrophobicContact CG-CG 4.43Å; Y214-F226 AromaticContact CZ-CD2 3.95Å; Y214-S229 WeakPolarHBondContact OH-CB 3.28Å; Y214-S229 PolarHBondContact OH-OG 3.27Å
215	N	96.1	Very high	95.4	Very high	80 Å²	80	62.5 Å²	62.5	43%	0.428	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	47.4	43.5	172.6	-174.9	40.7	0	0	0	113.1	L210 L217 L218 D222	L210-N215 PolarHBondContact O-N 2.86Å; N215-L217 PolarHBondContact O-N 3.32Å; N215-L218 WeakPolarHBondContact O-CB 3.47Å; N215-L218 WeakPolarHBondContact O-CD1 3.33Å; N215-L218 WeakPolarHBondContact O-CG 3.29Å; N215-L218 PolarHBondContact O-N 3.33Å; N215-L218 VanDerWaalsContact O-N 3.13Å; N215-D222 WeakPolarHBondContact CB-OD2 3.42Å; N215-D222 PolarHBondContact ND2-OD2 3.03Å; N215-D222 VanDerWaalsContact ND2-OD2 3.09Å
216	N	94.6	Very high	95.3	Very high	48 Å²	48	62.5 Å²	62.5	26%	0.257	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	51.6	26.1	-176.7	-65.4	-52.7	0	0	0	115	L210 E211 Y214 L218 T254	L210-N216 PolarHBondContact O-N 3.3Å; L210-N216 VanDerWaalsContact O-N 3.11Å; E211-N216 VanDerWaalsContact CA-OD1 3.27Å; E211-N216 WeakPolarHBondContact CA-OD1 3.45Å; E211-N216 WeakPolarHBondContact CB-OD1 3.39Å; Y214-N216 PolarHBondContact O-N 2.88Å; N216-L218 HydrophobicContact CB-CD1 4.5Å; N216-L218 HydrophobicContact CB-CG 4.16Å; N216-L218 PolarHBondContact O-N 2.76Å; N216-T254 WeakPolarHBondContact O-CG2 3.24Å
217	L	96.7	Very high	95.6	Very high	10 Å²	10	62.2 Å²	62.2	5%	0.052	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	57.7	29.5	-179.2	-52.3	-177.2	0	0	0	113.5	L210 Y214 N215 T219 R223 F226 T254 F258	L210-L217 HydrophobicContact CD1-CD1 3.94Å; L210-L217 HydrophobicContact CD1-CG 4.2Å; L210-L217 HydrophobicContact CD2-CD1 4.01Å; L210-L217 HydrophobicContact CD2-CD2 3.78Å; L210-L217 HydrophobicContact CD2-CG 3.87Å; Y214-L217 PolarHBondContact O-N 3.46Å; N215-L217 PolarHBondContact O-N 3.32Å; L217-T219 VanDerWaalsContact C-N 3.33Å; L217-T219 PolarHBondContact O-N 3.14Å; L217-R223 HydrophobicContact CB-CG 3.82Å; L217-R223 WeakPolarHBondContact O-CD 3.25Å; L217-R223 WeakPolarHBondContact O-CG 3.29Å; L217-F226 HydrophobicContact CD1-CD1 3.89Å; L217-F226 HydrophobicContact CD1-CE1 4.29Å; L217-F226 HydrophobicContact CD2-CB 3.62Å; L217-F226 HydrophobicContact CD2-CD1 3.87Å; L217-F226 HydrophobicContact CD2-CG 3.9Å; L217-T254 HydrophobicContact CB-CG2 4.23Å; L217-T254 HydrophobicContact CD1-CG2 4.25Å; L217-T254 HydrophobicContact CG-CG2 4.43Å; L217-F258 HydrophobicContact CD1-CB 3.86Å; L217-F258 HydrophobicContact CD1-CD2 3.71Å; L217-F258 HydrophobicContact CD1-CE2 4.47Å; L217-F258 HydrophobicContact CD1-CG 3.84Å
218	L	96.3	Very high	95.9	Very high	129 Å²	129	65.9 Å²	65.9	68%	0.675	33%	0.326	S	S	*	.			trans	-70.2	-26.1	-174.9	-69.3	172.3	0	0	0	113.6	N215 N216	N215-L218 WeakPolarHBondContact O-CB 3.47Å; N215-L218 WeakPolarHBondContact O-CD1 3.33Å; N215-L218 WeakPolarHBondContact O-CG 3.29Å; N215-L218 PolarHBondContact O-N 3.33Å; N215-L218 VanDerWaalsContact O-N 3.13Å; N216-L218 HydrophobicContact CB-CD1 4.5Å; N216-L218 HydrophobicContact CB-CG 4.16Å; N216-L218 PolarHBondContact O-N 2.76Å
219	T	97.8	Very high	96.2	Very high	62 Å²	62	65 Å²	65	38%	0.38	32%	0.319	S	S	.	.	S	Bend	trans	-114.9	157.9	-179.2	76.3	0	0	0	0	112.2	L217 Q221 D222 R223	L217-T219 VanDerWaalsContact C-N 3.33Å; L217-T219 PolarHBondContact O-N 3.14Å; T219-Q221 PolarHBondContact O-N 3.18Å; T219-Q221 PolarHBondContact OG1-N 3.28Å; T219-D222 WeakPolarHBondContact CB-OD2 3.5Å; T219-D222 WeakPolarHBondContact CG2-OD2 3.43Å; T219-D222 PolarHBondContact O-N 3.18Å; T219-D222 WeakPolarHBondContact OG1-CB 3.21Å; T219-D222 PolarHBondContact OG1-N 2.95Å; T219-D222 VanDerWaalsContact OG1-N 3.07Å; T219-D222 PolarHBondContact OG1-OD2 2.9Å; T219-R223 WeakPolarHBondContact O-CD 3.22Å; T219-R223 VanDerWaalsContact O-CG 3.26Å; T219-R223 WeakPolarHBondContact O-CG 3.06Å; T219-R223 PolarHBondContact O-N 3.3Å
220	L	96.4	Very high	96.4	Very high	148 Å²	148	64.5 Å²	64.5	78%	0.775	32%	0.317	S	S	*	.	H	α-helix	trans	-58.1	-36.8	173	-70.2	175.7	0	0	0	112.1	N224	L220-N224 WeakPolarHBondContact O-CB 3.26Å; L220-N224 PolarHBondContact O-N 3.29Å
221	Q	97.8	Very high	96.6	Very high	111 Å²	111	70.9 Å²	70.9	52%	0.519	35%	0.345	S	S	.	.	H	α-helix	trans	-66	-44.7	177.6	-174.3	62.2	49.8	0	0	111.4	T219 R223 N224 N225	T219-Q221 PolarHBondContact O-N 3.18Å; T219-Q221 PolarHBondContact OG1-N 3.28Å; Q221-R223 VanDerWaalsContact C-N 3.34Å; Q221-R223 PolarHBondContact O-N 3.27Å; Q221-N224 PolarHBondContact O-N 3.38Å; Q221-N225 PolarHBondContact NE2-OD1 2.94Å; Q221-N225 WeakPolarHBondContact O-CB 3.3Å; Q221-N225 PolarHBondContact O-N 3.44Å; Q221-N225 PolarHBondContact O-ND2 2.66Å; Q221-N225 PolarHBondContact O-OD1 2.99Å
222	D	97.7	Very high	96.8	Very high	27 Å²	27	71.6 Å²	71.6	14%	0.144	35%	0.346	C	S	.	.	H	α-helix	trans	-62	-43.5	178.2	-65.8	-41.7	0	0	0	111.5	Y214 N215 T219 N225 F226	Y214-D222 WeakPolarHBondContact O-CB 3.21Å; N215-D222 WeakPolarHBondContact CB-OD2 3.42Å; N215-D222 PolarHBondContact ND2-OD2 3.03Å; N215-D222 VanDerWaalsContact ND2-OD2 3.09Å; T219-D222 WeakPolarHBondContact CB-OD2 3.5Å; T219-D222 WeakPolarHBondContact CG2-OD2 3.43Å; T219-D222 PolarHBondContact O-N 3.18Å; T219-D222 WeakPolarHBondContact OG1-CB 3.21Å; T219-D222 PolarHBondContact OG1-N 2.95Å; T219-D222 VanDerWaalsContact OG1-N 3.07Å; T219-D222 PolarHBondContact OG1-OD2 2.9Å; D222-N225 PolarHBondContact O-N 3.19Å; D222-F226 WeakPolarHBondContact O-CB 3.49Å; D222-F226 PolarHBondContact O-N 3.43Å
223	R	98.2	Very high	97.1	Very high	56 Å²	56	65.9 Å²	65.9	21%	0.211	32%	0.322	C	S	.	.	H	α-helix	trans	-61.1	-46.2	175.4	-69.3	165.1	59.8	76.8	11.1	111.9	L217 T219 Q221 F226 F227 F258 E261	L217-R223 HydrophobicContact CB-CG 3.82Å; L217-R223 WeakPolarHBondContact O-CD 3.25Å; L217-R223 WeakPolarHBondContact O-CG 3.29Å; T219-R223 WeakPolarHBondContact O-CD 3.22Å; T219-R223 VanDerWaalsContact O-CG 3.26Å; T219-R223 WeakPolarHBondContact O-CG 3.06Å; T219-R223 PolarHBondContact O-N 3.3Å; Q221-R223 VanDerWaalsContact C-N 3.34Å; Q221-R223 PolarHBondContact O-N 3.27Å; R223-F226 PolarHBondContact O-N 3.29Å; R223-F227 WeakPolarHBondContact O-CB 3.5Å; R223-F227 PolarHBondContact O-N 3.45Å; R223-F258 HydrophobicContact CB-CE2 4.48Å; R223-E261 IonicContact CZ-OE1 3.86Å; R223-E261 IonicContact CZ-OE2 2.69Å; R223-E261 IonicContact NH1-OE2 3.45Å; R223-E261 PolarHBondContact NH1-OE2 3.03Å; R223-E261 IonicContact NH2-OE1 3.58Å; R223-E261 PolarHBondContact NH2-OE1 3.04Å; R223-E261 IonicContact NH2-OE2 3.37Å; R223-E261 PolarHBondContact NH2-OE2 3.27Å
224	N	98.2	Very high	97.2	Very high	74 Å²	74	63.9 Å²	63.9	40%	0.396	32%	0.321	S	S	.	.	H	α-helix	trans	-65.1	-42	176.9	-174.2	47.9	0	0	0	111.8	L220 Q221 F226 F227 L228	L220-N224 WeakPolarHBondContact O-CB 3.26Å; L220-N224 PolarHBondContact O-N 3.29Å; Q221-N224 PolarHBondContact O-N 3.38Å; N224-F226 VanDerWaalsContact C-N 3.31Å; N224-F226 PolarHBondContact O-N 3.24Å; N224-F227 PolarHBondContact O-N 2.92Å; N224-L228 WeakPolarHBondContact O-CB 3.41Å; N224-L228 VanDerWaalsContact O-CG 3.26Å; N224-L228 WeakPolarHBondContact O-CG 3.33Å; N224-L228 PolarHBondContact O-N 3.01Å
225	N	97.9	Very high	97.3	Very high	60 Å²	60	64.2 Å²	64.2	32%	0.321	33%	0.332	S	S	.	.	H	α-helix	trans	-59.9	-43.3	175.9	-71.8	-16.1	0	0	0	111.5	Y214 Q221 D222 S229	Y214-N225 HydrophobicContact CD1-CB 4.31Å; Y214-N225 HydrophobicContact CE1-CB 4.25Å; Q221-N225 PolarHBondContact NE2-OD1 2.94Å; Q221-N225 WeakPolarHBondContact O-CB 3.3Å; Q221-N225 PolarHBondContact O-N 3.44Å; Q221-N225 PolarHBondContact O-ND2 2.66Å; Q221-N225 PolarHBondContact O-OD1 2.99Å; D222-N225 PolarHBondContact O-N 3.19Å; N225-S229 WeakPolarHBondContact O-CB 3.37Å; N225-S229 PolarHBondContact O-N 2.62Å; N225-S229 PolarHBondContact O-OG 3.12Å
226	F	98.3	Very high	97.4	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-66.3	-46.6	176.7	-174	-126.4	0	0	0	111.6	F205 L210 Y214 L217 D222 R223 N224 L228 S229 L230 L255 F258	F205-F226 AromaticContact CE2-CE2 3.68Å; F205-F226 HydrophobicContact CE2-CE2 3.68Å; F205-F226 HydrophobicContact CE2-CZ 4.22Å; F205-F226 AromaticContact CZ-CE2 3.65Å; F205-F226 HydrophobicContact CZ-CE2 3.65Å; F205-F226 AromaticContact CZ-CZ 3.88Å; F205-F226 HydrophobicContact CZ-CZ 3.88Å; L210-F226 HydrophobicContact CD2-CD1 3.98Å; L210-F226 HydrophobicContact CD2-CD2 3.87Å; L210-F226 HydrophobicContact CD2-CE1 3.87Å; L210-F226 HydrophobicContact CD2-CE2 3.78Å; L210-F226 HydrophobicContact CD2-CG 3.98Å; L210-F226 HydrophobicContact CD2-CZ 3.78Å; Y214-F226 HydrophobicContact CD1-CB 3.65Å; Y214-F226 HydrophobicContact CD1-CD2 4.16Å; Y214-F226 HydrophobicContact CD1-CG 4.33Å; Y214-F226 AromaticContact CD2-CD2 4Å; Y214-F226 HydrophobicContact CD2-CD2 4Å; Y214-F226 HydrophobicContact CE1-CB 3.94Å; Y214-F226 HydrophobicContact CE1-CD2 4.08Å; Y214-F226 AromaticContact CE2-CD2 3.91Å; Y214-F226 HydrophobicContact CE2-CD2 3.91Å; Y214-F226 HydrophobicContact CE2-CE2 4.48Å; Y214-F226 HydrophobicContact CG-CB 4.14Å; Y214-F226 HydrophobicContact CG-CD2 4.12Å; Y214-F226 HydrophobicContact CG-CG 4.43Å; Y214-F226 AromaticContact CZ-CD2 3.95Å; L217-F226 HydrophobicContact CD1-CD1 3.89Å; L217-F226 HydrophobicContact CD1-CE1 4.29Å; L217-F226 HydrophobicContact CD2-CB 3.62Å; L217-F226 HydrophobicContact CD2-CD1 3.87Å; L217-F226 HydrophobicContact CD2-CG 3.9Å; D222-F226 WeakPolarHBondContact O-CB 3.49Å; D222-F226 PolarHBondContact O-N 3.43Å; R223-F226 PolarHBondContact O-N 3.29Å; N224-F226 VanDerWaalsContact C-N 3.31Å; N224-F226 PolarHBondContact O-N 3.24Å; F226-L228 VanDerWaalsContact C-N 3.35Å; F226-L228 PolarHBondContact O-N 2.87Å; F226-S229 WeakPolarHBondContact O-CB 3.42Å; F226-S229 PolarHBondContact O-N 2.91Å; F226-S229 VanDerWaalsContact O-N 3.11Å; F226-L230 HydrophobicContact CD1-CD1 3.84Å; F226-L230 HydrophobicContact CD2-CD1 4.4Å; F226-L230 HydrophobicContact CD2-CG 4.38Å; F226-L230 HydrophobicContact CE1-CD1 3.47Å; F226-L230 VanDerWaalsContact CE1-CD1 3.47Å; F226-L230 HydrophobicContact CE1-CG 4.34Å; F226-L230 HydrophobicContact CE2-CD1 4.07Å; F226-L230 HydrophobicContact CE2-CD2 4.19Å; F226-L230 HydrophobicContact CE2-CG 4.04Å; F226-L230 HydrophobicContact CG-CD1 4.29Å; F226-L230 HydrophobicContact CZ-CD1 3.59Å; F226-L230 HydrophobicContact CZ-CD2 4.1Å; F226-L230 HydrophobicContact CZ-CG 4.02Å; F226-L230 WeakPolarHBondContact O-CG 3.38Å; F226-L230 PolarHBondContact O-N 3Å; F226-L255 HydrophobicContact CE1-CD1 3.72Å; F226-L255 HydrophobicContact CZ-CD1 3.64Å; F226-F258 AromaticContact CD1-CD1 3.82Å; F226-F258 HydrophobicContact CD1-CD1 3.82Å; F226-F258 HydrophobicContact CD1-CD2 4.26Å; F226-F258 AromaticContact CD1-CE1 3.57Å; F226-F258 HydrophobicContact CD1-CE1 3.57Å; F226-F258 HydrophobicContact CD1-CE2 4Å; F226-F258 HydrophobicContact CD1-CG 4.17Å; F226-F258 AromaticContact CD1-CZ 3.65Å; F226-F258 HydrophobicContact CD1-CZ 3.65Å; F226-F258 AromaticContact CE1-CD1 3.66Å; F226-F258 HydrophobicContact CE1-CD1 3.66Å; F226-F258 AromaticContact CE1-CE1 3.69Å; F226-F258 HydrophobicContact CE1-CE1 3.69Å; F226-F258 HydrophobicContact CE1-CG 4.24Å; F226-F258 HydrophobicContact CE1-CZ 4.27Å
227	F	98.5	Very high	97.6	Very high	30 Å²	30	58.9 Å²	58.9	13%	0.132	30%	0.304	C	S	.	.	H	α-helix	trans	-54.9	-48.2	175	-175.8	-90.9	0	0	0	112.1	R223 N224 S229 L230 K231 F258 H262 Q265 L266	R223-F227 WeakPolarHBondContact O-CB 3.5Å; R223-F227 PolarHBondContact O-N 3.45Å; N224-F227 PolarHBondContact O-N 2.92Å; F227-S229 VanDerWaalsContact C-N 3.32Å; F227-S229 PolarHBondContact O-N 3.19Å; F227-L230 PolarHBondContact O-N 2.82Å; F227-K231 HydrophobicContact CE1-CD 4.17Å; F227-K231 WeakPolarHBondContact O-CB 3.25Å; F227-K231 PolarHBondContact O-N 3.4Å; F227-F258 HydrophobicContact CB-CZ 3.97Å; F227-F258 HydrophobicContact CD2-CZ 4.19Å; F227-H262 HydrophobicContact CD2-CB 4.48Å; F227-H262 AromaticContact CD2-CD2 3.46Å; F227-H262 VanDerWaalsContact CD2-CD2 3.46Å; F227-H262 WeakPolarHBondContact CD2-CD2 3.45Å; F227-H262 HydrophobicContact CE2-CB 4.28Å; F227-H262 AromaticContact CE2-CD2 3.58Å; F227-Q265 HydrophobicContact CE2-CB 4.05Å; F227-Q265 HydrophobicContact CZ-CB 4.19Å; F227-L266 HydrophobicContact CD2-CD1 4.23Å; F227-L266 HydrophobicContact CD2-CD2 4.04Å; F227-L266 HydrophobicContact CD2-CG 4.22Å; F227-L266 HydrophobicContact CE1-CD2 4.42Å; F227-L266 HydrophobicContact CE2-CD1 4.25Å; F227-L266 HydrophobicContact CE2-CD2 3.71Å; F227-L266 HydrophobicContact CE2-CG 3.79Å; F227-L266 HydrophobicContact CZ-CD2 3.92Å; F227-L266 HydrophobicContact CZ-CG 4.36Å
228	L	97.9	Very high	97.7	Very high	77 Å²	77	58.4 Å²	58.4	40%	0.403	30%	0.302	S	S	.	.	H	α-helix	trans	-63.4	-38.3	177.7	-70.9	173.6	0	0	0	111.8	N224 F226 K231 K232	N224-L228 WeakPolarHBondContact O-CB 3.41Å; N224-L228 VanDerWaalsContact O-CG 3.26Å; N224-L228 WeakPolarHBondContact O-CG 3.33Å; N224-L228 PolarHBondContact O-N 3.01Å; F226-L228 VanDerWaalsContact C-N 3.35Å; F226-L228 PolarHBondContact O-N 2.87Å; L228-K231 PolarHBondContact O-N 2.77Å; L228-K232 WeakPolarHBondContact O-CG 3.23Å; L228-K232 PolarHBondContact O-N 2.86Å
229	S	97.4	Very high	97.8	Very high	27 Å²	27	52.2 Å²	52.2	19%	0.189	27%	0.27	C	S	.	.	H	α-helix	trans	-63.8	-42.5	176.1	-55.5	0	0	0	0	111.4	Y214 N225 F226 F227 K232	Y214-S229 WeakPolarHBondContact OH-CB 3.28Å; Y214-S229 PolarHBondContact OH-OG 3.27Å; N225-S229 WeakPolarHBondContact O-CB 3.37Å; N225-S229 PolarHBondContact O-N 2.62Å; N225-S229 PolarHBondContact O-OG 3.12Å; F226-S229 WeakPolarHBondContact O-CB 3.42Å; F226-S229 PolarHBondContact O-N 2.91Å; F226-S229 VanDerWaalsContact O-N 3.11Å; F227-S229 VanDerWaalsContact C-N 3.32Å; F227-S229 PolarHBondContact O-N 3.19Å; S229-K232 PolarHBondContact O-N 3.01Å
230	L	98.1	Very high	97.9	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-67.6	-39	175.3	-68.4	169.7	0	0	0	112.4	F186 F226 F227 K232 L233 L238 F258 F259 L266	F186-L230 HydrophobicContact CE2-CD2 4.33Å; F186-L230 HydrophobicContact CZ-CD2 4.38Å; F226-L230 HydrophobicContact CD1-CD1 3.84Å; F226-L230 HydrophobicContact CD2-CD1 4.4Å; F226-L230 HydrophobicContact CD2-CG 4.38Å; F226-L230 HydrophobicContact CE1-CD1 3.47Å; F226-L230 VanDerWaalsContact CE1-CD1 3.47Å; F226-L230 HydrophobicContact CE1-CG 4.34Å; F226-L230 HydrophobicContact CE2-CD1 4.07Å; F226-L230 HydrophobicContact CE2-CD2 4.19Å; F226-L230 HydrophobicContact CE2-CG 4.04Å; F226-L230 HydrophobicContact CG-CD1 4.29Å; F226-L230 HydrophobicContact CZ-CD1 3.59Å; F226-L230 HydrophobicContact CZ-CD2 4.1Å; F226-L230 HydrophobicContact CZ-CG 4.02Å; F226-L230 WeakPolarHBondContact O-CG 3.38Å; F226-L230 PolarHBondContact O-N 3Å; F227-L230 PolarHBondContact O-N 2.82Å; L230-K232 PolarHBondContact O-N 3.07Å; L230-L233 WeakPolarHBondContact O-CB 3.21Å; L230-L233 PolarHBondContact O-N 2.95Å; L230-L238 HydrophobicContact CD2-CD2 3.59Å; L230-F258 HydrophobicContact CD1-CD1 4.38Å; L230-F258 HydrophobicContact CD1-CE1 3.55Å; L230-F258 HydrophobicContact CD1-CZ 4.29Å; L230-F259 HydrophobicContact CD1-CE1 3.66Å; L230-F259 HydrophobicContact CD1-CZ 4.06Å; L230-F259 HydrophobicContact CD2-CE1 4.38Å; L230-F259 HydrophobicContact CD2-CZ 4.29Å; L230-L266 HydrophobicContact CB-CD1 3.95Å; L230-L266 HydrophobicContact CB-CD2 4.04Å; L230-L266 HydrophobicContact CD1-CD1 3.79Å
231	K	97.4	Very high	97.9	Very high	135 Å²	135	42.8 Å²	42.8	59%	0.587	22%	0.218	S	C	*	.	H	α-helix	trans	-60.1	-33.9	178.6	-173.9	170.5	-178.6	170.9	0	112.2	F227 L228 L233 D234 L266	F227-K231 HydrophobicContact CE1-CD 4.17Å; F227-K231 WeakPolarHBondContact O-CB 3.25Å; F227-K231 PolarHBondContact O-N 3.4Å; L228-K231 PolarHBondContact O-N 2.77Å; K231-L233 VanDerWaalsContact C-N 3.26Å; K231-L233 PolarHBondContact O-N 2.78Å; K231-D234 PolarHBondContact O-N 2.83Å; K231-L266 HydrophobicContact CB-CD2 4.1Å
232	K	96.5	Very high	97.9	Very high	129 Å²	129	37.6 Å²	37.6	56%	0.561	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-22.6	176.1	-67.1	177.4	-162	-179.1	0	114	E190 L228 S229 L230 D234	E190-K232 WeakPolarHBondContact OE1-CD 3.48Å; E190-K232 IonicContact OE1-NZ 2.66Å; E190-K232 PolarHBondContact OE1-NZ 3.14Å; L228-K232 WeakPolarHBondContact O-CG 3.23Å; L228-K232 PolarHBondContact O-N 2.86Å; S229-K232 PolarHBondContact O-N 3.01Å; L230-K232 PolarHBondContact O-N 3.07Å; K232-D234 PolarHBondContact O-N 2.99Å
233	L	97.4	Very high	98	Very high	23 Å²	23	36.3 Å²	36.3	12%	0.12	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-14.7	174.8	-69	-172.7	0	0	0	112.7	F186 T200 T203 L230 K231 G235 A236 L238 V268	F186-L233 HydrophobicContact CD2-CD1 4.44Å; F186-L233 HydrophobicContact CE2-CD1 3.64Å; F186-L233 HydrophobicContact CE2-CG 4.3Å; F186-L233 HydrophobicContact CZ-CD1 4.48Å; T200-L233 HydrophobicContact CG2-CD2 4.03Å; T203-L233 HydrophobicContact CG2-CD1 3.83Å; T203-L233 HydrophobicContact CG2-CD2 4.08Å; L230-L233 WeakPolarHBondContact O-CB 3.21Å; L230-L233 PolarHBondContact O-N 2.95Å; K231-L233 VanDerWaalsContact C-N 3.26Å; K231-L233 PolarHBondContact O-N 2.78Å; L233-G235 PolarHBondContact O-N 2.82Å; L233-A236 HydrophobicContact CB-CB 4.17Å; L233-A236 WeakPolarHBondContact O-CB 3.31Å; L233-A236 PolarHBondContact O-N 3.35Å; L233-L238 HydrophobicContact CD1-CD1 3.96Å; L233-V268 HydrophobicContact CB-CG2 4.31Å; L233-V268 HydrophobicContact CD1-CG2 4.07Å
234	D	96.3	Very high	97.9	Very high	87 Å²	87	34.2 Å²	34.2	47%	0.465	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	-120.9	-177.6	-168.4	44.2	0	0	0	110.9	K231 K232 A236 K267 V268	K231-D234 PolarHBondContact O-N 2.83Å; K232-D234 PolarHBondContact O-N 2.99Å; D234-A236 VanDerWaalsContact C-N 3.33Å; D234-A236 PolarHBondContact O-N 3.15Å; D234-K267 CarbonylContact O-C 3.58Å; D234-K267 WeakPolarHBondContact O-CB 3.37Å; D234-K267 WeakPolarHBondContact OD1-CD 3.13Å; D234-K267 IonicContact OD1-NZ 3.99Å; D234-K267 PolarHBondContact OD1-NZ 3.26Å; D234-V268 VanDerWaalsContact O-CA 3.28Å; D234-V268 WeakPolarHBondContact O-CA 3.28Å; D234-V268 PolarHBondContact O-N 3.19Å
235	G	97.3	Very high	97.8	Very high	34 Å²	34	32.4 Å²	32.4	35%	0.351	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	9.8	179.7	0	0	0	0	0	116.1	L233 Q269	L233-G235 PolarHBondContact O-N 2.82Å; G235-Q269 PolarHBondContact O-NE2 2.73Å
236	A	98.6	Very high	97.8	Very high	7 Å²	7	32.4 Å²	32.4	6%	0.058	17%	0.166	C	C	.	.			trans	-66.7	160.3	-178.6	0	0	0	0	0	112.7	T200 N201 L233 D234 V268 Q269	T200-A236 VanDerWaalsContact O-CB 3.3Å; T200-A236 WeakPolarHBondContact O-CB 3.29Å; N201-A236 WeakPolarHBondContact O-CA 3.45Å; L233-A236 HydrophobicContact CB-CB 4.17Å; L233-A236 WeakPolarHBondContact O-CB 3.31Å; L233-A236 PolarHBondContact O-N 3.35Å; D234-A236 VanDerWaalsContact C-N 3.33Å; D234-A236 PolarHBondContact O-N 3.15Å; A236-V268 WeakPolarHBondContact O-CG2 3.28Å; A236-Q269 PolarHBondContact O-N 3.42Å
237	I	98.8	Very high	97.6	Very high	9 Å²	9	37 Å²	37	5%	0.046	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	123.4	174.8	-59.5	169.6	0	0	0	109.7	F109 P148 I149 N201 L202 T203 W239 Q269 A271	F109-I237 HydrophobicContact CE1-CD1 4.41Å; F109-I237 HydrophobicContact CE1-CG2 4.08Å; F109-I237 HydrophobicContact CZ-CD1 4.29Å; F109-I237 HydrophobicContact CZ-CG2 4.01Å; P148-I237 HydrophobicContact CB-CD1 4.27Å; P148-I237 HydrophobicContact CG-CD1 4.13Å; I149-I237 HydrophobicContact CG2-CD1 4.14Å; N201-I237 PolarHBondContact O-N 3.4Å; L202-I237 CarbonylContact C-O 3.34Å; L202-I237 VanDerWaalsContact CA-O 3.3Å; L202-I237 WeakPolarHBondContact CA-O 3.44Å; L202-I237 HydrophobicContact CB-CB 4.32Å; L202-I237 HydrophobicContact CD1-CB 4.33Å; L202-I237 HydrophobicContact CD1-CG2 4.21Å; L202-I237 HydrophobicContact CG-CB 4.15Å; L202-I237 HydrophobicContact CG-CG2 4.27Å; T203-I237 PolarHBondContact N-O 2.66Å; I237-W239 HydrophobicContact CG2-CB 4.5Å; I237-Q269 CarbonylContact C-O 3.59Å; I237-Q269 WeakPolarHBondContact CA-O 3.28Å; I237-Q269 HydrophobicContact CG1-CB 4.18Å; I237-A271 HydrophobicContact CG2-CB 3.76Å
238	L	98.8	Very high	97.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	106.9	166.6	-170.2	68.9	0	0	0	108.8	F186 T203 F205 L230 L233 I240 F259 V268 Q269 L270 A271	F186-L238 HydrophobicContact CD2-CD1 3.85Å; F186-L238 HydrophobicContact CE2-CD1 3.9Å; T203-L238 HydrophobicContact CG2-CD1 3.83Å; F205-L238 HydrophobicContact CB-CD1 3.61Å; F205-L238 HydrophobicContact CB-CG 3.98Å; F205-L238 HydrophobicContact CD2-CD1 4.09Å; F205-L238 HydrophobicContact CG-CD1 4.12Å; F205-L238 HydrophobicContact CG-CG 4.49Å; L230-L238 HydrophobicContact CD2-CD2 3.59Å; L233-L238 HydrophobicContact CD1-CD1 3.96Å; L238-I240 HydrophobicContact CD2-CD1 3.99Å; L238-I240 HydrophobicContact CD2-CG1 4.23Å; L238-I240 HydrophobicContact CG-CD1 4.17Å; L238-I240 HydrophobicContact CG-CG1 3.95Å; L238-F259 HydrophobicContact CD2-CE2 4.44Å; L238-F259 HydrophobicContact CD2-CZ 3.7Å; L238-V268 HydrophobicContact CB-CG2 3.65Å; L238-Q269 PolarHBondContact N-O 3.08Å; L238-L270 HydrophobicContact CB-CD2 4.27Å; L238-L270 HydrophobicContact CD2-CD2 4.14Å; L238-A271 PolarHBondContact O-N 2.74Å
239	W	98.8	Very high	97.2	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	107.6	-173.8	-164.2	86	0	0	0	111	F109 L202 T203 T204 F205 I237 P241 F244 A271 P273 I276 L299 M300 L303	F109-W239 AromaticContact CD2-NE1 3.71Å; F109-W239 AromaticContact CE1-CD1 3.65Å; F109-W239 AromaticContact CE2-CD1 3.59Å; F109-W239 AromaticContact CE2-NE1 3.62Å; F109-W239 AromaticContact CG-NE1 3.97Å; F109-W239 AromaticContact CZ-CD1 3.34Å; F109-W239 HydrophobicContact CZ-CG 4.36Å; F109-W239 AromaticContact CZ-NE1 3.8Å; F109-W239 PolarHBondContact O-NE1 3.3Å; L202-W239 HydrophobicContact CD1-CB 4.43Å; L202-W239 HydrophobicContact CD2-CB 4.08Å; L202-W239 HydrophobicContact CG-CB 4.28Å; T203-W239 PolarHBondContact O-N 3.39Å; T204-W239 CarbonylContact C-O 3.54Å; T204-W239 VanDerWaalsContact CA-O 3.24Å; T204-W239 WeakPolarHBondContact CA-O 3.14Å; T204-W239 HydrophobicContact CG2-CB 4.41Å; T204-W239 HydrophobicContact CG2-CE3 3.79Å; T204-W239 HydrophobicContact CG2-CZ3 4.49Å; F205-W239 PolarHBondContact N-O 2.67Å; I237-W239 HydrophobicContact CG2-CB 4.5Å; W239-P241 HydrophobicContact CE3-CB 4.35Å; W239-P241 HydrophobicContact CE3-CG 4.21Å; W239-P241 HydrophobicContact CH2-CB 4.44Å; W239-P241 HydrophobicContact CZ3-CB 3.8Å; W239-P241 HydrophobicContact CZ3-CG 3.94Å; W239-P241 WeakPolarHBondContact O-CD 3.44Å; W239-F244 HydrophobicContact CH2-CE2 4.33Å; W239-F244 AromaticContact CH2-CZ 3.97Å; W239-F244 HydrophobicContact CH2-CZ 3.97Å; W239-F244 HydrophobicContact CZ3-CE2 4.35Å; W239-F244 HydrophobicContact CZ3-CZ 4.4Å; W239-A271 CarbonylContact C-O 3.6Å; W239-A271 WeakPolarHBondContact CA-O 3.39Å; W239-A271 HydrophobicContact CG-CB 4.44Å; W239-P273 HydrophobicContact CD2-CG 4Å; W239-P273 HydrophobicContact CE3-CG 4.1Å; W239-P273 HydrophobicContact CH2-CB 3.75Å; W239-P273 HydrophobicContact CH2-CG 3.44Å; W239-P273 VanDerWaalsContact CH2-CG 3.44Å; W239-P273 HydrophobicContact CZ2-CB 3.27Å; W239-P273 HydrophobicContact CZ2-CG 3.31Å; W239-P273 HydrophobicContact CZ3-CG 3.83Å; W239-I276 HydrophobicContact CH2-CD1 4.04Å; W239-I276 HydrophobicContact CZ2-CD1 3.89Å; W239-L299 HydrophobicContact CH2-CD1 4.49Å; W239-L299 HydrophobicContact CH2-CD2 3.78Å; W239-L299 HydrophobicContact CH2-CG 4.38Å; W239-L299 HydrophobicContact CZ3-CD2 3.83Å; W239-M300 HydrophobicContact CE3-CE 4.15Å; W239-M300 HydrophobicContact CZ3-CE 4.18Å; W239-L303 HydrophobicContact CD2-CD1 4.4Å; W239-L303 HydrophobicContact CH2-CD1 4.38Å; W239-L303 HydrophobicContact CZ2-CD1 3.81Å
240	I	98.8	Very high	97.1	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.202	C	C	.	.			trans	-112.5	92.7	-163	-54	159.8	0	0	0	111	F205 P207 L238 A242 L255 F259 L270 A271 W272 P273	F205-I240 HydrophobicContact CB-CG1 4.11Å; F205-I240 HydrophobicContact CD1-CG2 4.49Å; F205-I240 WeakPolarHBondContact O-CA 3.47Å; P207-I240 HydrophobicContact CG-CG2 4.01Å; L238-I240 HydrophobicContact CD2-CD1 3.99Å; L238-I240 HydrophobicContact CD2-CG1 4.23Å; L238-I240 HydrophobicContact CG-CD1 4.17Å; L238-I240 HydrophobicContact CG-CG1 3.95Å; I240-A242 VanDerWaalsContact C-N 3.26Å; I240-A242 PolarHBondContact O-N 2.85Å; I240-L255 HydrophobicContact CD1-CD2 4.21Å; I240-L255 HydrophobicContact CG2-CD2 3.85Å; I240-F259 HydrophobicContact CD1-CE2 4.02Å; I240-L270 HydrophobicContact CD1-CD2 4.18Å; I240-A271 PolarHBondContact N-O 3.43Å; I240-W272 HydrophobicContact CB-CD2 4.16Å; I240-W272 HydrophobicContact CB-CE3 3.7Å; I240-W272 HydrophobicContact CB-CH2 4.35Å; I240-W272 HydrophobicContact CB-CZ3 3.82Å; I240-W272 HydrophobicContact CD1-CD2 4.18Å; I240-W272 HydrophobicContact CD1-CE3 4.22Å; I240-W272 HydrophobicContact CD1-CH2 3.56Å; I240-W272 HydrophobicContact CD1-CZ2 3.48Å; I240-W272 VanDerWaalsContact CD1-CZ2 3.48Å; I240-W272 HydrophobicContact CD1-CZ3 3.94Å; I240-W272 HydrophobicContact CG1-CZ3 4.49Å; I240-W272 HydrophobicContact CG2-CE3 3.66Å; I240-W272 HydrophobicContact CG2-CH2 4.01Å; I240-W272 HydrophobicContact CG2-CZ3 3.34Å; I240-P273 WeakPolarHBondContact O-CD 3.27Å
241	P	98.1	Very high	96.9	Very high	12 Å²	12	37.4 Å²	37.4	8%	0.078	20%	0.204	C	C	.	.			trans	-76.6	72.1	179.8	32	-36.9	0	0	0	113	F205 W239 F243 F244 P273	F205-P241 WeakPolarHBondContact O-CD 3.33Å; W239-P241 HydrophobicContact CE3-CB 4.35Å; W239-P241 HydrophobicContact CE3-CG 4.21Å; W239-P241 HydrophobicContact CH2-CB 4.44Å; W239-P241 HydrophobicContact CZ3-CB 3.8Å; W239-P241 HydrophobicContact CZ3-CG 3.94Å; W239-P241 WeakPolarHBondContact O-CD 3.44Å; P241-F243 VanDerWaalsContact C-N 3.27Å; P241-F243 PolarHBondContact O-N 3Å; P241-F244 HydrophobicContact CB-CD1 4.16Å; P241-F244 HydrophobicContact CB-CD2 3.49Å; P241-F244 VanDerWaalsContact CB-CD2 3.49Å; P241-F244 HydrophobicContact CB-CE1 4.15Å; P241-F244 HydrophobicContact CB-CE2 3.48Å; P241-F244 VanDerWaalsContact CB-CE2 3.48Å; P241-F244 HydrophobicContact CB-CG 3.84Å; P241-F244 HydrophobicContact CB-CZ 3.83Å; P241-F244 HydrophobicContact CG-CD2 4.2Å; P241-F244 HydrophobicContact CG-CE2 4.28Å; P241-P273 HydrophobicContact CB-CG 3.92Å
242	A	98	Very high	97	Very high	1 Å²	1	31 Å²	31	1%	0.008	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-23.8	-178	0	0	0	0	0	113.6	Y124 P207 I240 T252 W272	Y124-A242 VanDerWaalsContact CE1-O 3.29Å; Y124-A242 WeakPolarHBondContact CE1-O 3.4Å; P207-A242 HydrophobicContact CG-CB 4.39Å; I240-A242 VanDerWaalsContact C-N 3.26Å; I240-A242 PolarHBondContact O-N 2.85Å; A242-T252 HydrophobicContact CB-CG2 3.88Å; A242-W272 HydrophobicContact CB-CE3 4.15Å; A242-W272 HydrophobicContact CB-CZ3 4.23Å
243	F	98.3	Very high	97	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	21.2	-174.5	-52.4	-64.7	0	0	0	113.8	L111 M122 Y124 D125 F133 I135 F139 P241 P273	L111-F243 HydrophobicContact CD1-CD2 4.13Å; L111-F243 HydrophobicContact CD1-CE2 3.55Å; L111-F243 HydrophobicContact CD1-CZ 4.41Å; M122-F243 HydrophobicContact CB-CD1 3.59Å; M122-F243 HydrophobicContact CB-CE1 3.6Å; M122-F243 HydrophobicContact CB-CG 4.32Å; M122-F243 HydrophobicContact CB-CZ 4.33Å; M122-F243 HydrophobicContact CE-CD2 4.4Å; M122-F243 HydrophobicContact CG-CD1 4.15Å; M122-F243 HydrophobicContact CG-CE1 3.75Å; M122-F243 HydrophobicContact CG-CZ 4Å; Y124-F243 CarbonylContact C-O 3.56Å; Y124-F243 WeakPolarHBondContact CA-O 3.27Å; D125-F243 PolarHBondContact N-O 3.29Å; F133-F243 HydrophobicContact CB-CE1 4.12Å; F133-F243 AromaticContact CD1-CE1 3.75Å; F133-F243 HydrophobicContact CD1-CE1 3.75Å; F133-F243 HydrophobicContact CD1-CZ 4.36Å; F133-F243 HydrophobicContact CE1-CE1 4.42Å; F133-F243 HydrophobicContact CG-CE1 4.06Å; I135-F243 HydrophobicContact CD1-CE1 4.34Å; I135-F243 HydrophobicContact CD1-CZ 3.8Å; F139-F243 HydrophobicContact CE1-CE2 4.27Å; F139-F243 HydrophobicContact CE1-CZ 4.01Å; F139-F243 HydrophobicContact CE2-CE2 4.41Å; F139-F243 AromaticContact CE2-CZ 3.94Å; F139-F243 HydrophobicContact CE2-CZ 3.94Å; F139-F243 AromaticContact CZ-CE2 3.65Å; F139-F243 HydrophobicContact CZ-CE2 3.65Å; F139-F243 AromaticContact CZ-CZ 3.47Å; F139-F243 HydrophobicContact CZ-CZ 3.47Å; F139-F243 VanDerWaalsContact CZ-CZ 3.47Å; P241-F243 VanDerWaalsContact C-N 3.27Å; P241-F243 PolarHBondContact O-N 3Å; F243-P273 WeakPolarHBondContact CD2-O 3.23Å
244	F	97.4	Very high	97	Very high	12 Å²	12	32.4 Å²	32.4	5%	0.053	18%	0.182	C	C	.	.	S	Bend	trans	-90.5	-40.2	175.6	-72.5	5.3	0	0	0	112.2	D125 Y126 W239 P241 I276 M277 L299	D125-F244 HydrophobicContact CB-CD1 4.39Å; Y126-F244 WeakPolarHBondContact CB-O 3.28Å; Y126-F244 HydrophobicContact CD2-CB 4.07Å; Y126-F244 HydrophobicContact CE2-CB 4.42Å; Y126-F244 HydrophobicContact CE2-CD2 4.38Å; Y126-F244 HydrophobicContact CE2-CG 4.4Å; Y126-F244 PolarHBondContact N-O 3.46Å; W239-F244 HydrophobicContact CH2-CE2 4.33Å; W239-F244 AromaticContact CH2-CZ 3.97Å; W239-F244 HydrophobicContact CH2-CZ 3.97Å; W239-F244 HydrophobicContact CZ3-CE2 4.35Å; W239-F244 HydrophobicContact CZ3-CZ 4.4Å; P241-F244 HydrophobicContact CB-CD1 4.16Å; P241-F244 HydrophobicContact CB-CD2 3.49Å; P241-F244 VanDerWaalsContact CB-CD2 3.49Å; P241-F244 HydrophobicContact CB-CE1 4.15Å; P241-F244 HydrophobicContact CB-CE2 3.48Å; P241-F244 VanDerWaalsContact CB-CE2 3.48Å; P241-F244 HydrophobicContact CB-CG 3.84Å; P241-F244 HydrophobicContact CB-CZ 3.83Å; P241-F244 HydrophobicContact CG-CD2 4.2Å; P241-F244 HydrophobicContact CG-CE2 4.28Å; F244-I276 HydrophobicContact CE1-CG1 4.16Å; F244-I276 HydrophobicContact CZ-CD1 4.41Å; F244-I276 HydrophobicContact CZ-CG1 4.09Å; F244-M277 HydrophobicContact CD1-CG 4.2Å; F244-M277 HydrophobicContact CD2-CG 4.44Å; F244-M277 HydrophobicContact CE1-CG 3.78Å; F244-M277 HydrophobicContact CE1-SD 4.33Å; F244-M277 HydrophobicContact CE2-CG 4.02Å; F244-M277 HydrophobicContact CE2-SD 3.88Å; F244-M277 HydrophobicContact CZ-CG 3.68Å; F244-M277 HydrophobicContact CZ-SD 3.65Å; F244-L299 HydrophobicContact CE2-CD2 3.87Å; F244-L299 HydrophobicContact CZ-CD2 4.32Å
245	F	95.8	Very high	97.1	Very high	35 Å²	35	28.3 Å²	28.3	15%	0.154	16%	0.16	C	C	.	.			trans	-131	131.9	-177.3	-51.9	-77.4	0	0	0	111.4	Y124 Y126 T247 S248	Y124-F245 VanDerWaalsContact CD1-O 3.27Å; Y124-F245 WeakPolarHBondContact CD1-O 3.3Å; Y124-F245 VanDerWaalsContact CE1-O 3.23Å; Y124-F245 WeakPolarHBondContact CE1-O 3.24Å; Y126-F245 VanDerWaalsContact CB-CE1 3.47Å; Y126-F245 HydrophobicContact CD2-CD1 4.39Å; Y126-F245 AromaticContact CD2-CE1 3.51Å; Y126-F245 HydrophobicContact CD2-CE1 3.51Å; Y126-F245 HydrophobicContact CD2-CE2 4.31Å; Y126-F245 AromaticContact CD2-CZ 3.42Å; Y126-F245 HydrophobicContact CD2-CZ 3.42Å; Y126-F245 VanDerWaalsContact CD2-CZ 3.42Å; Y126-F245 HydrophobicContact CE2-CZ 4.06Å; Y126-F245 AromaticContact CG-CE1 3.79Å; Y126-F245 HydrophobicContact CG-CE1 3.79Å; Y126-F245 HydrophobicContact CG-CZ 4.16Å; F245-T247 PolarHBondContact O-N 3.07Å; F245-T247 VanDerWaalsContact O-N 3.16Å; F245-S248 VanDerWaalsContact O-CB 3.29Å; F245-S248 WeakPolarHBondContact O-CB 3.43Å; F245-S248 PolarHBondContact O-N 3.42Å; F245-S248 PolarHBondContact O-OG 3.49Å
246	H	96.4	Very high	97.2	Very high	60 Å²	60	27 Å²	27	28%	0.278	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-61	-25.3	177.8	72.4	-75.1	0	0	0	113.5	Y124 S127 Y131 S248 A249	Y124-H246 HydrophobicContact CD1-CB 4.5Å; Y124-H246 HydrophobicContact CD2-CB 3.77Å; Y124-H246 HydrophobicContact CE2-CB 3.93Å; Y124-H246 HydrophobicContact CG-CB 4.06Å; S127-H246 WeakPolarHBondContact CB-ND1 3.49Å; S127-H246 PolarHBondContact OG-N 2.88Å; S127-H246 VanDerWaalsContact OG-N 3.09Å; S127-H246 PolarHBondContact OG-ND1 3.29Å; Y131-H246 HydrophobicContact CD1-CB 4.11Å; Y131-H246 AromaticContact CD1-CD2 3.76Å; Y131-H246 HydrophobicContact CD2-CB 3.78Å; Y131-H246 AromaticContact CD2-CD2 3.84Å; Y131-H246 AromaticContact CD2-CG 3.53Å; Y131-H246 AromaticContact CD2-ND1 3.84Å; Y131-H246 AromaticContact CE1-CD2 3.63Å; Y131-H246 HydrophobicContact CE2-CB 4.47Å; Y131-H246 AromaticContact CE2-CD2 3.68Å; Y131-H246 AromaticContact CE2-CE1 3.81Å; Y131-H246 AromaticContact CE2-CG 3.75Å; Y131-H246 AromaticContact CE2-ND1 3.83Å; Y131-H246 AromaticContact CE2-NE2 3.72Å; Y131-H246 HydrophobicContact CG-CB 3.54Å; Y131-H246 AromaticContact CG-CD2 3.86Å; Y131-H246 AromaticContact CG-CG 3.67Å; Y131-H246 AromaticContact CZ-CD2 3.57Å; Y131-H246 AromaticContact CZ-NE2 3.6Å; H246-S248 PolarHBondContact O-N 2.84Å; H246-S248 VanDerWaalsContact O-N 3.14Å; H246-A249 VanDerWaalsContact O-CB 3.24Å; H246-A249 WeakPolarHBondContact O-CB 3.44Å; H246-A249 PolarHBondContact O-N 3.43Å
247	T	94.4	Very high	97.1	Very high	97 Å²	97	30.7 Å²	30.7	60%	0.595	16%	0.164	S	C	*	.	G	3₁₀ helix	trans	-62	-18.6	174.9	53.2	0	0	0	0	112.8	F245 A249	F245-T247 PolarHBondContact O-N 3.07Å; F245-T247 VanDerWaalsContact O-N 3.16Å; T247-A249 VanDerWaalsContact C-N 3.3Å; T247-A249 PolarHBondContact O-N 3.01Å
248	S	92.8	Very high	97.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-77.8	-10	174.9	-58.9	0	0	0	0	113.6	F245 H246 T250 V251 T252	F245-S248 VanDerWaalsContact O-CB 3.29Å; F245-S248 WeakPolarHBondContact O-CB 3.43Å; F245-S248 PolarHBondContact O-N 3.42Å; F245-S248 PolarHBondContact O-OG 3.49Å; H246-S248 PolarHBondContact O-N 2.84Å; H246-S248 VanDerWaalsContact O-N 3.14Å; S248-T250 PolarHBondContact O-N 3.36Å; S248-V251 PolarHBondContact O-N 3.46Å; S248-T252 VanDerWaalsContact O-CB 3.25Å; S248-T252 WeakPolarHBondContact O-CB 3.49Å; S248-T252 PolarHBondContact O-N 3.22Å; S248-T252 PolarHBondContact O-OG1 3.02Å
249	A	95.2	Very high	97.1	Very high	24 Å²	24	30.8 Å²	30.8	20%	0.198	16%	0.164	C	C	.	.	H	α-helix	trans	-55.3	-55.2	-170.3	0	0	0	0	0	113.8	Y124 F133 H246 T247 T252	Y124-A249 WeakPolarHBondContact OH-CB 3.28Å; F133-A249 HydrophobicContact CD2-CB 4.45Å; H246-A249 VanDerWaalsContact O-CB 3.24Å; H246-A249 WeakPolarHBondContact O-CB 3.44Å; H246-A249 PolarHBondContact O-N 3.43Å; T247-A249 VanDerWaalsContact C-N 3.3Å; T247-A249 PolarHBondContact O-N 3.01Å; A249-T252 PolarHBondContact O-N 3.31Å
250	T	95.1	Very high	97.1	Very high	110 Å²	110	32.8 Å²	32.8	68%	0.675	18%	0.176	S	C	*	.	H	α-helix	trans	-66.7	-48	-176.1	-51.1	0	0	0	0	111	S248 T252 R253 T254	S248-T250 PolarHBondContact O-N 3.36Å; T250-T252 PolarHBondContact O-N 3.18Å; T250-R253 WeakPolarHBondContact O-CB 3.17Å; T250-R253 PolarHBondContact O-N 2.82Å; T250-T254 PolarHBondContact O-N 2.99Å
251	V	95.8	Very high	97.1	Very high	10 Å²	10	38 Å²	38	6%	0.061	20%	0.2	C	C	.	.	H	α-helix	trans	-66	-29.7	-178.1	-174.4	0	0	0	0	111.9	P207 L210 E211 S248 R253 T254 L255	P207-V251 HydrophobicContact CB-CB 4.41Å; P207-V251 HydrophobicContact CB-CG1 4.28Å; P207-V251 WeakPolarHBondContact O-CG1 3.46Å; L210-V251 HydrophobicContact CB-CG1 3.61Å; L210-V251 HydrophobicContact CD1-CG1 3.94Å; L210-V251 HydrophobicContact CG-CG1 4.27Å; E211-V251 HydrophobicContact CB-CG2 4.46Å; S248-V251 PolarHBondContact O-N 3.46Å; V251-R253 VanDerWaalsContact C-N 3.29Å; V251-R253 PolarHBondContact O-N 2.85Å; V251-T254 PolarHBondContact O-N 3.16Å; V251-L255 WeakPolarHBondContact O-CB 3.15Å; V251-L255 PolarHBondContact O-N 3.45Å
252	T	97.6	Very high	97.1	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	20%	0.202	C	C	.	.	H	α-helix	trans	-62	-36.7	173	-61.8	0	0	0	0	111.5	F133 F139 A242 S248 A249 T250 L255 V256 W272	F133-T252 HydrophobicContact CE2-CG2 4.03Å; F133-T252 HydrophobicContact CZ-CG2 3.93Å; F139-T252 HydrophobicContact CD2-CG2 4.45Å; F139-T252 HydrophobicContact CE2-CG2 4.27Å; A242-T252 HydrophobicContact CB-CG2 3.88Å; S248-T252 VanDerWaalsContact O-CB 3.25Å; S248-T252 WeakPolarHBondContact O-CB 3.49Å; S248-T252 PolarHBondContact O-N 3.22Å; S248-T252 PolarHBondContact O-OG1 3.02Å; A249-T252 PolarHBondContact O-N 3.31Å; T250-T252 PolarHBondContact O-N 3.18Å; T252-L255 PolarHBondContact O-N 3.29Å; T252-V256 HydrophobicContact CG2-CG2 4.34Å; T252-V256 WeakPolarHBondContact O-CB 3.49Å; T252-V256 WeakPolarHBondContact O-CG2 3.3Å; T252-V256 PolarHBondContact O-N 2.87Å; T252-W272 HydrophobicContact CG2-CZ3 4.33Å
253	R	97.5	Very high	97	Very high	134 Å²	134	45.2 Å²	45.2	51%	0.506	23%	0.227	S	C	.	.	H	α-helix	trans	-64.4	-47.8	176.4	-61.2	-178.6	-178.3	-80.1	-1.7	111.1	F133 T250 V251 L255 V256 D257	F133-R253 HydrophobicContact CE2-CG 4.08Å; F133-R253 HydrophobicContact CZ-CG 4.43Å; T250-R253 WeakPolarHBondContact O-CB 3.17Å; T250-R253 PolarHBondContact O-N 2.82Å; V251-R253 VanDerWaalsContact C-N 3.29Å; V251-R253 PolarHBondContact O-N 2.85Å; R253-L255 VanDerWaalsContact C-N 3.28Å; R253-L255 PolarHBondContact O-N 3.12Å; R253-V256 WeakPolarHBondContact O-CB 3.28Å; R253-V256 PolarHBondContact O-N 3.09Å; R253-V256 VanDerWaalsContact O-N 3.16Å; R253-D257 PolarHBondContact O-N 2.9Å
254	T	97.7	Very high	96.9	Very high	47 Å²	47	48.9 Å²	48.9	29%	0.288	27%	0.265	S	S	.	.	H	α-helix	trans	-56.7	-42.7	174.7	-52.5	0	0	0	0	112.1	N216 L217 T250 V251 D257 F258	N216-T254 WeakPolarHBondContact O-CG2 3.24Å; L217-T254 HydrophobicContact CB-CG2 4.23Å; L217-T254 HydrophobicContact CD1-CG2 4.25Å; L217-T254 HydrophobicContact CG-CG2 4.43Å; T250-T254 PolarHBondContact O-N 2.99Å; V251-T254 PolarHBondContact O-N 3.16Å; T254-D257 PolarHBondContact O-N 3.01Å; T254-F258 WeakPolarHBondContact O-CB 3.06Å; T254-F258 PolarHBondContact O-N 3.26Å
255	L	98.1	Very high	96.9	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65.2	-42.2	178	-174.4	63.7	0	0	0	112	F205 L210 F226 I240 V251 T252 R253 F258 F259 W272	F205-L255 HydrophobicContact CD1-CD2 4.11Å; F205-L255 HydrophobicContact CE1-CD1 4.17Å; F205-L255 HydrophobicContact CE1-CD2 3.96Å; L210-L255 HydrophobicContact CD1-CB 3.82Å; L210-L255 HydrophobicContact CD1-CD1 3.78Å; L210-L255 HydrophobicContact CD1-CG 4.34Å; L210-L255 HydrophobicContact CG-CD1 4.32Å; F226-L255 HydrophobicContact CE1-CD1 3.72Å; F226-L255 HydrophobicContact CZ-CD1 3.64Å; I240-L255 HydrophobicContact CD1-CD2 4.21Å; I240-L255 HydrophobicContact CG2-CD2 3.85Å; V251-L255 WeakPolarHBondContact O-CB 3.15Å; V251-L255 PolarHBondContact O-N 3.45Å; T252-L255 PolarHBondContact O-N 3.29Å; R253-L255 VanDerWaalsContact C-N 3.28Å; R253-L255 PolarHBondContact O-N 3.12Å; L255-F258 PolarHBondContact O-N 3.06Å; L255-F259 HydrophobicContact CD1-CD2 4.01Å; L255-F259 HydrophobicContact CD1-CE2 3.38Å; L255-F259 HydrophobicContact CD1-CZ 4Å; L255-F259 HydrophobicContact CD2-CE2 4.19Å; L255-F259 HydrophobicContact CG-CD2 3.92Å; L255-F259 HydrophobicContact CG-CE2 3.56Å; L255-F259 WeakPolarHBondContact O-CD2 3.4Å; L255-F259 PolarHBondContact O-N 3.04Å; L255-F259 VanDerWaalsContact O-N 3.11Å; L255-W272 HydrophobicContact CD2-CH2 3.86Å; L255-W272 HydrophobicContact CD2-CZ3 4.25Å; L255-W272 HydrophobicContact CG-CH2 4.21Å
256	V	98.5	Very high	97	Very high	6 Å²	6	53.3 Å²	53.3	4%	0.036	29%	0.287	C	S	.	.	H	α-helix	trans	-61.5	-49	175.9	166.2	0	0	0	0	110.8	N138 F139 L142 T252 R253 F258 F259 V260 W272	N138-V256 HydrophobicContact CB-CG1 3.61Å; F139-V256 HydrophobicContact CB-CG1 4.44Å; F139-V256 HydrophobicContact CB-CG2 4.28Å; F139-V256 HydrophobicContact CD2-CG2 3.62Å; F139-V256 HydrophobicContact CE2-CG2 4.45Å; F139-V256 HydrophobicContact CG-CG2 4.4Å; L142-V256 HydrophobicContact CD1-CB 4.21Å; L142-V256 HydrophobicContact CD1-CG1 3.97Å; L142-V256 HydrophobicContact CD1-CG2 4.26Å; T252-V256 HydrophobicContact CG2-CG2 4.34Å; T252-V256 WeakPolarHBondContact O-CB 3.49Å; T252-V256 WeakPolarHBondContact O-CG2 3.3Å; T252-V256 PolarHBondContact O-N 2.87Å; R253-V256 WeakPolarHBondContact O-CB 3.28Å; R253-V256 PolarHBondContact O-N 3.09Å; R253-V256 VanDerWaalsContact O-N 3.16Å; V256-F258 VanDerWaalsContact C-N 3.3Å; V256-F258 PolarHBondContact O-N 3.08Å; V256-F259 PolarHBondContact O-N 3.07Å; V256-V260 HydrophobicContact CG1-CG2 4.45Å; V256-V260 WeakPolarHBondContact O-CG2 3.46Å; V256-V260 PolarHBondContact O-N 3.15Å; V256-W272 HydrophobicContact CG2-CH2 4.34Å
257	D	98.3	Very high	97.1	Very high	85 Å²	85	57.6 Å²	57.6	46%	0.455	31%	0.305	S	S	.	.	H	α-helix	trans	-60.7	-42.6	-179.3	-66.7	-23.1	0	0	0	110.9	R253 T254 F259 V260 E261	R253-D257 PolarHBondContact O-N 2.9Å; T254-D257 PolarHBondContact O-N 3.01Å; D257-F259 PolarHBondContact O-N 2.82Å; D257-V260 PolarHBondContact O-N 3Å; D257-E261 WeakPolarHBondContact O-CB 3.34Å; D257-E261 PolarHBondContact O-N 3.38Å
258	F	98.6	Very high	97.2	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.009	28%	0.281	C	S	.	.	H	α-helix	trans	-57.8	-46.5	174.7	178.5	-88.1	0	0	0	112.5	L217 R223 F226 F227 L230 T254 L255 V256 E261 H262 L266	L217-F258 HydrophobicContact CD1-CB 3.86Å; L217-F258 HydrophobicContact CD1-CD2 3.71Å; L217-F258 HydrophobicContact CD1-CE2 4.47Å; L217-F258 HydrophobicContact CD1-CG 3.84Å; R223-F258 HydrophobicContact CB-CE2 4.48Å; F226-F258 AromaticContact CD1-CD1 3.82Å; F226-F258 HydrophobicContact CD1-CD1 3.82Å; F226-F258 HydrophobicContact CD1-CD2 4.26Å; F226-F258 AromaticContact CD1-CE1 3.57Å; F226-F258 HydrophobicContact CD1-CE1 3.57Å; F226-F258 HydrophobicContact CD1-CE2 4Å; F226-F258 HydrophobicContact CD1-CG 4.17Å; F226-F258 AromaticContact CD1-CZ 3.65Å; F226-F258 HydrophobicContact CD1-CZ 3.65Å; F226-F258 AromaticContact CE1-CD1 3.66Å; F226-F258 HydrophobicContact CE1-CD1 3.66Å; F226-F258 AromaticContact CE1-CE1 3.69Å; F226-F258 HydrophobicContact CE1-CE1 3.69Å; F226-F258 HydrophobicContact CE1-CG 4.24Å; F226-F258 HydrophobicContact CE1-CZ 4.27Å; F227-F258 HydrophobicContact CB-CZ 3.97Å; F227-F258 HydrophobicContact CD2-CZ 4.19Å; L230-F258 HydrophobicContact CD1-CD1 4.38Å; L230-F258 HydrophobicContact CD1-CE1 3.55Å; L230-F258 HydrophobicContact CD1-CZ 4.29Å; T254-F258 WeakPolarHBondContact O-CB 3.06Å; T254-F258 PolarHBondContact O-N 3.26Å; L255-F258 PolarHBondContact O-N 3.06Å; V256-F258 VanDerWaalsContact C-N 3.3Å; V256-F258 PolarHBondContact O-N 3.08Å; F258-E261 PolarHBondContact O-N 3.21Å; F258-H262 AromaticContact CD2-CE1 3.67Å; F258-H262 AromaticContact CD2-ND1 3.77Å; F258-H262 AromaticContact CE2-CE1 3.42Å; F258-H262 VanDerWaalsContact CE2-CE1 3.42Å; F258-H262 WeakPolarHBondContact CE2-CE1 3.39Å; F258-H262 AromaticContact CE2-ND1 3.69Å; F258-H262 AromaticContact CZ-CE1 3.9Å; F258-H262 AromaticContact CZ-ND1 3.83Å; F258-H262 PolarHBondContact O-N 3.4Å; F258-H262 VanDerWaalsContact O-N 3.1Å; F258-H262 PolarHBondContact O-ND1 3.37Å; F258-L266 HydrophobicContact CE1-CD1 4.39Å
259	F	98.6	Very high	97.5	Very high	10 Å²	10	58.2 Å²	58.2	4%	0.044	30%	0.302	C	S	.	.	H	α-helix	trans	-71.1	-32	-179.7	-76.4	-55.3	0	0	0	113.4	L142 L230 L238 I240 L255 V256 D257 R263 L266 V268 L270 W272	L142-F259 HydrophobicContact CD1-CB 3.66Å; L142-F259 HydrophobicContact CD1-CD2 4.5Å; L142-F259 HydrophobicContact CD2-CB 3.8Å; L142-F259 HydrophobicContact CG-CB 4.39Å; L230-F259 HydrophobicContact CD1-CE1 3.66Å; L230-F259 HydrophobicContact CD1-CZ 4.06Å; L230-F259 HydrophobicContact CD2-CE1 4.38Å; L230-F259 HydrophobicContact CD2-CZ 4.29Å; L238-F259 HydrophobicContact CD2-CE2 4.44Å; L238-F259 HydrophobicContact CD2-CZ 3.7Å; I240-F259 HydrophobicContact CD1-CE2 4.02Å; L255-F259 HydrophobicContact CD1-CD2 4.01Å; L255-F259 HydrophobicContact CD1-CE2 3.38Å; L255-F259 HydrophobicContact CD1-CZ 4Å; L255-F259 HydrophobicContact CD2-CE2 4.19Å; L255-F259 HydrophobicContact CG-CD2 3.92Å; L255-F259 HydrophobicContact CG-CE2 3.56Å; L255-F259 WeakPolarHBondContact O-CD2 3.4Å; L255-F259 PolarHBondContact O-N 3.04Å; L255-F259 VanDerWaalsContact O-N 3.11Å; V256-F259 PolarHBondContact O-N 3.07Å; D257-F259 PolarHBondContact O-N 2.82Å; F259-R263 PolarHBondContact O-N 3.26Å; F259-L266 HydrophobicContact CE1-CD1 4.41Å; F259-V268 HydrophobicContact CE1-CG1 4.42Å; F259-L270 HydrophobicContact CB-CD1 4.15Å; F259-L270 HydrophobicContact CD1-CD1 4.03Å; F259-L270 HydrophobicContact CD1-CD2 4.22Å; F259-L270 HydrophobicContact CD2-CD1 3.9Å; F259-L270 HydrophobicContact CD2-CD2 4.38Å; F259-L270 HydrophobicContact CE1-CD1 4.41Å; F259-L270 HydrophobicContact CE1-CD2 3.77Å; F259-L270 HydrophobicContact CE2-CD1 4.27Å; F259-L270 HydrophobicContact CE2-CD2 3.91Å; F259-L270 HydrophobicContact CG-CD1 3.78Å; F259-L270 HydrophobicContact CZ-CD2 3.62Å; F259-W272 HydrophobicContact CD2-CZ2 4.25Å; F259-W272 HydrophobicContact CE2-CZ2 4.43Å
260	V	98.5	Very high	97.7	Very high	41 Å²	41	58.3 Å²	58.3	25%	0.248	30%	0.299	C	S	.	.	H	α-helix	trans	-66.3	-45.1	173.6	169	0	0	0	0	110.5	N138 L142 V256 D257 H262 R263	N138-V260 HydrophobicContact CB-CG2 3.87Å; L142-V260 HydrophobicContact CD1-CG2 4.23Å; L142-V260 HydrophobicContact CD2-CG2 4.12Å; L142-V260 HydrophobicContact CG-CG2 4.14Å; V256-V260 HydrophobicContact CG1-CG2 4.45Å; V256-V260 WeakPolarHBondContact O-CG2 3.46Å; V256-V260 PolarHBondContact O-N 3.15Å; D257-V260 PolarHBondContact O-N 3Å; V260-H262 VanDerWaalsContact C-N 3.31Å; V260-H262 PolarHBondContact O-N 2.76Å; V260-R263 WeakPolarHBondContact O-CB 3.38Å; V260-R263 PolarHBondContact O-N 3.05Å
261	E	98.3	Very high	97.8	Very high	109 Å²	109	53 Å²	53	51%	0.509	27%	0.267	S	S	.	.	H	α-helix	trans	-61	-38	177.9	-175	-175.2	167.5	0	0	112.8	R223 D257 F258	R223-E261 IonicContact CZ-OE1 3.86Å; R223-E261 IonicContact CZ-OE2 2.69Å; R223-E261 IonicContact NH1-OE2 3.45Å; R223-E261 PolarHBondContact NH1-OE2 3.03Å; R223-E261 IonicContact NH2-OE1 3.58Å; R223-E261 PolarHBondContact NH2-OE1 3.04Å; R223-E261 IonicContact NH2-OE2 3.37Å; R223-E261 PolarHBondContact NH2-OE2 3.27Å; D257-E261 WeakPolarHBondContact O-CB 3.34Å; D257-E261 PolarHBondContact O-N 3.38Å; F258-E261 PolarHBondContact O-N 3.21Å
262	H	98.1	Very high	98	Very high	26 Å²	26	52.6 Å²	52.6	12%	0.12	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	20.8	-178.6	-59.8	81.7	0	0	0	113.1	F227 F258 V260 G264 Q265	F227-H262 HydrophobicContact CD2-CB 4.48Å; F227-H262 AromaticContact CD2-CD2 3.46Å; F227-H262 VanDerWaalsContact CD2-CD2 3.46Å; F227-H262 WeakPolarHBondContact CD2-CD2 3.45Å; F227-H262 HydrophobicContact CE2-CB 4.28Å; F227-H262 AromaticContact CE2-CD2 3.58Å; F258-H262 AromaticContact CD2-CE1 3.67Å; F258-H262 AromaticContact CD2-ND1 3.77Å; F258-H262 AromaticContact CE2-CE1 3.42Å; F258-H262 VanDerWaalsContact CE2-CE1 3.42Å; F258-H262 WeakPolarHBondContact CE2-CE1 3.39Å; F258-H262 AromaticContact CE2-ND1 3.69Å; F258-H262 AromaticContact CZ-CE1 3.9Å; F258-H262 AromaticContact CZ-ND1 3.83Å; F258-H262 PolarHBondContact O-N 3.4Å; F258-H262 VanDerWaalsContact O-N 3.1Å; F258-H262 PolarHBondContact O-ND1 3.37Å; V260-H262 VanDerWaalsContact C-N 3.31Å; V260-H262 PolarHBondContact O-N 2.76Å; H262-G264 PolarHBondContact O-N 2.86Å; H262-Q265 HydrophobicContact CB-CB 4.47Å; H262-Q265 WeakPolarHBondContact O-CB 3.46Å; H262-Q265 PolarHBondContact O-N 3.26Å
263	R	96.1	Very high	98	Very high	139 Å²	139	52.5 Å²	52.5	53%	0.525	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	129.7	-180	175.8	175.7	-82.5	170.1	0	110.5	S141 F259 V260 Q265	S141-R263 PolarHBondContact O-NH2 3.47Å; S141-R263 PolarHBondContact OG-NH2 3.49Å; F259-R263 PolarHBondContact O-N 3.26Å; V260-R263 WeakPolarHBondContact O-CB 3.38Å; V260-R263 PolarHBondContact O-N 3.05Å; R263-Q265 PolarHBondContact O-N 3.29Å
264	G	95.8	Very high	98	Very high	78 Å²	78	46.4 Å²	46.4	80%	0.804	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.6	-5.7	-179.8	0	0	0	0	0	115.1	H262	H262-G264 PolarHBondContact O-N 2.86Å
265	Q	97.9	Very high	98	Very high	114 Å²	114	46.4 Å²	46.4	53%	0.533	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-19.5	179	-55.1	-178.8	27.8	0	0	113.2	F227 H262 R263	F227-Q265 HydrophobicContact CE2-CB 4.05Å; F227-Q265 HydrophobicContact CZ-CB 4.19Å; H262-Q265 HydrophobicContact CB-CB 4.47Å; H262-Q265 WeakPolarHBondContact O-CB 3.46Å; H262-Q265 PolarHBondContact O-N 3.26Å; R263-Q265 PolarHBondContact O-N 3.29Å
266	L	97.9	Very high	98	Very high	26 Å²	26	46.6 Å²	46.6	14%	0.136	24%	0.242	C	C	.	.			trans	-116.8	140.5	179.2	-64.6	168.5	0	0	0	109.9	F227 L230 K231 F258 F259 V268	F227-L266 HydrophobicContact CD2-CD1 4.23Å; F227-L266 HydrophobicContact CD2-CD2 4.04Å; F227-L266 HydrophobicContact CD2-CG 4.22Å; F227-L266 HydrophobicContact CE1-CD2 4.42Å; F227-L266 HydrophobicContact CE2-CD1 4.25Å; F227-L266 HydrophobicContact CE2-CD2 3.71Å; F227-L266 HydrophobicContact CE2-CG 3.79Å; F227-L266 HydrophobicContact CZ-CD2 3.92Å; F227-L266 HydrophobicContact CZ-CG 4.36Å; L230-L266 HydrophobicContact CB-CD1 3.95Å; L230-L266 HydrophobicContact CB-CD2 4.04Å; L230-L266 HydrophobicContact CD1-CD1 3.79Å; K231-L266 HydrophobicContact CB-CD2 4.1Å; F258-L266 HydrophobicContact CE1-CD1 4.39Å; F259-L266 HydrophobicContact CE1-CD1 4.41Å; L266-V268 HydrophobicContact CB-CG1 4.02Å; L266-V268 HydrophobicContact CD1-CG1 4.49Å
267	K	97.8	Very high	98	Very high	151 Å²	151	46.4 Å²	46.4	66%	0.657	24%	0.24	S	C	*	.			trans	-86.8	-8.5	175.8	-68.7	170.7	174.4	-175.2	0	113.7	D234 Q269	D234-K267 CarbonylContact O-C 3.58Å; D234-K267 WeakPolarHBondContact O-CB 3.37Å; D234-K267 WeakPolarHBondContact OD1-CD 3.13Å; D234-K267 IonicContact OD1-NZ 3.99Å; D234-K267 PolarHBondContact OD1-NZ 3.26Å; K267-Q269 PolarHBondContact O-N 3.37Å
268	V	98.1	Very high	97.9	Very high	16 Å²	16	47 Å²	47	10%	0.097	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-58.7	133.9	-176.3	69.2	0	0	0	0	110.2	L233 D234 A236 L238 F259 L266 L270	L233-V268 HydrophobicContact CB-CG2 4.31Å; L233-V268 HydrophobicContact CD1-CG2 4.07Å; D234-V268 VanDerWaalsContact O-CA 3.28Å; D234-V268 WeakPolarHBondContact O-CA 3.28Å; D234-V268 PolarHBondContact O-N 3.19Å; A236-V268 WeakPolarHBondContact O-CG2 3.28Å; L238-V268 HydrophobicContact CB-CG2 3.65Å; F259-V268 HydrophobicContact CE1-CG1 4.42Å; L266-V268 HydrophobicContact CB-CG1 4.02Å; L266-V268 HydrophobicContact CD1-CG1 4.49Å; V268-L270 HydrophobicContact CG1-CD2 4.12Å
269	Q	98.3	Very high	97.9	Very high	93 Å²	93	50.6 Å²	50.6	44%	0.435	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	120.2	178.7	-64.8	-178.4	63.9	0	0	109.2	G235 A236 I237 L238 K267	G235-Q269 PolarHBondContact O-NE2 2.73Å; A236-Q269 PolarHBondContact O-N 3.42Å; I237-Q269 CarbonylContact C-O 3.59Å; I237-Q269 WeakPolarHBondContact CA-O 3.28Å; I237-Q269 HydrophobicContact CG1-CB 4.18Å; L238-Q269 PolarHBondContact N-O 3.08Å; K267-Q269 PolarHBondContact O-N 3.37Å
270	L	98.6	Very high	97.9	Very high	26 Å²	26	50.1 Å²	50.1	14%	0.136	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	132.3	-179.5	-54.9	-178.8	0	0	0	110.7	L142 L238 I240 F259 V268 W272	L142-L270 HydrophobicContact CB-CD1 4.28Å; L142-L270 HydrophobicContact CD2-CD1 4.23Å; L238-L270 HydrophobicContact CB-CD2 4.27Å; L238-L270 HydrophobicContact CD2-CD2 4.14Å; I240-L270 HydrophobicContact CD1-CD2 4.18Å; F259-L270 HydrophobicContact CB-CD1 4.15Å; F259-L270 HydrophobicContact CD1-CD1 4.03Å; F259-L270 HydrophobicContact CD1-CD2 4.22Å; F259-L270 HydrophobicContact CD2-CD1 3.9Å; F259-L270 HydrophobicContact CD2-CD2 4.38Å; F259-L270 HydrophobicContact CE1-CD1 4.41Å; F259-L270 HydrophobicContact CE1-CD2 3.77Å; F259-L270 HydrophobicContact CE2-CD1 4.27Å; F259-L270 HydrophobicContact CE2-CD2 3.91Å; F259-L270 HydrophobicContact CG-CD1 3.78Å; F259-L270 HydrophobicContact CZ-CD2 3.62Å; V268-L270 HydrophobicContact CG1-CD2 4.12Å; L270-W272 HydrophobicContact CD1-CZ2 4.36Å
271	A	98.7	Very high	97.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	130.6	172.9	0	0	0	0	0	109.7	F109 I237 L238 W239 I240	F109-A271 HydrophobicContact CD1-CB 4.14Å; F109-A271 HydrophobicContact CE1-CB 3.58Å; F109-A271 HydrophobicContact CZ-CB 4.38Å; I237-A271 HydrophobicContact CG2-CB 3.76Å; L238-A271 PolarHBondContact O-N 2.74Å; W239-A271 CarbonylContact C-O 3.6Å; W239-A271 WeakPolarHBondContact CA-O 3.39Å; W239-A271 HydrophobicContact CG-CB 4.44Å; I240-A271 PolarHBondContact N-O 3.43Å
272	W	98.6	Very high	97.8	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.252	C	S	.	.			trans	-126.6	87.2	-172.3	-57.7	86.4	0	0	0	109.2	T110 L111 F139 L142 L143 I240 A242 T252 L255 V256 F259 L270	T110-W272 PolarHBondContact OG1-N 2.79Å; L111-W272 WeakPolarHBondContact CB-O 3.29Å; L111-W272 WeakPolarHBondContact CG-O 3.29Å; L111-W272 PolarHBondContact N-O 3.45Å; F139-W272 HydrophobicContact CE2-CD2 4.1Å; F139-W272 AromaticContact CE2-CE3 3.69Å; F139-W272 HydrophobicContact CE2-CE3 3.69Å; F139-W272 AromaticContact CE2-CZ3 3.96Å; F139-W272 HydrophobicContact CE2-CZ3 3.96Å; F139-W272 HydrophobicContact CZ-CB 4.16Å; F139-W272 HydrophobicContact CZ-CD2 4.08Å; F139-W272 AromaticContact CZ-CE3 3.97Å; F139-W272 HydrophobicContact CZ-CE3 3.97Å; F139-W272 HydrophobicContact CZ-CG 4.2Å; L142-W272 HydrophobicContact CD1-CZ2 4.37Å; L143-W272 HydrophobicContact CD2-CB 3.71Å; L143-W272 HydrophobicContact CD2-CG 3.78Å; I240-W272 HydrophobicContact CB-CD2 4.16Å; I240-W272 HydrophobicContact CB-CE3 3.7Å; I240-W272 HydrophobicContact CB-CH2 4.35Å; I240-W272 HydrophobicContact CB-CZ3 3.82Å; I240-W272 HydrophobicContact CD1-CD2 4.18Å; I240-W272 HydrophobicContact CD1-CE3 4.22Å; I240-W272 HydrophobicContact CD1-CH2 3.56Å; I240-W272 HydrophobicContact CD1-CZ2 3.48Å; I240-W272 VanDerWaalsContact CD1-CZ2 3.48Å; I240-W272 HydrophobicContact CD1-CZ3 3.94Å; I240-W272 HydrophobicContact CG1-CZ3 4.49Å; I240-W272 HydrophobicContact CG2-CE3 3.66Å; I240-W272 HydrophobicContact CG2-CH2 4.01Å; I240-W272 HydrophobicContact CG2-CZ3 3.34Å; A242-W272 HydrophobicContact CB-CE3 4.15Å; A242-W272 HydrophobicContact CB-CZ3 4.23Å; T252-W272 HydrophobicContact CG2-CZ3 4.33Å; L255-W272 HydrophobicContact CD2-CH2 3.86Å; L255-W272 HydrophobicContact CD2-CZ3 4.25Å; L255-W272 HydrophobicContact CG-CH2 4.21Å; V256-W272 HydrophobicContact CG2-CH2 4.34Å; F259-W272 HydrophobicContact CD2-CZ2 4.25Å; F259-W272 HydrophobicContact CE2-CZ2 4.43Å; L270-W272 HydrophobicContact CD1-CZ2 4.36Å
273	P	98.4	Very high	97.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.247	C	C	.	.			trans	-59.6	142.6	177.7	30.8	-41.8	0	0	0	111.2	W239 I240 P241 F243 I276	W239-P273 HydrophobicContact CD2-CG 4Å; W239-P273 HydrophobicContact CE3-CG 4.1Å; W239-P273 HydrophobicContact CH2-CB 3.75Å; W239-P273 HydrophobicContact CH2-CG 3.44Å; W239-P273 VanDerWaalsContact CH2-CG 3.44Å; W239-P273 HydrophobicContact CZ2-CB 3.27Å; W239-P273 HydrophobicContact CZ2-CG 3.31Å; W239-P273 HydrophobicContact CZ3-CG 3.83Å; I240-P273 WeakPolarHBondContact O-CD 3.27Å; P241-P273 HydrophobicContact CB-CG 3.92Å; F243-P273 WeakPolarHBondContact CD2-O 3.23Å; P273-I276 HydrophobicContact CB-CD1 3.99Å
274	G	98.1	Very high	97.9	Very high	6 Å²	6	43.7 Å²	43.7	6%	0.062	22%	0.222	C	C	.	.			trans	-81.2	-150	171.1	0	0	0	0	0	112.6	I276	G274-I276 PolarHBondContact O-N 3.11Å
275	N	97.8	Very high	98	Very high	47 Å²	47	46.9 Å²	46.9	25%	0.251	21%	0.213	S	C	.	.	S	Bend	trans	-79.8	78.8	176.9	-64	108.8	0	0	0	111.7	H123 D125	H123-N275 PolarHBondContact O-ND2 3.02Å; D125-N275 VanDerWaalsContact OD1-CA 3.25Å; D125-N275 WeakPolarHBondContact OD1-CA 3.29Å; D125-N275 WeakPolarHBondContact OD1-CB 3.29Å; D125-N275 PolarHBondContact OD1-ND2 3.48Å
276	I	98	Very high	97.9	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.015	21%	0.208	C	C	.	.			trans	-102.3	-17.6	-172.7	65.7	173.1	0	0	0	113.9	I103 N108 D125 W239 F244 P273 G274 Q278 Y279 I280	I103-I276 HydrophobicContact CD1-CB 4.09Å; I103-I276 HydrophobicContact CD1-CG2 4.48Å; N108-I276 HydrophobicContact CB-CG2 4.03Å; D125-I276 PolarHBondContact OD2-N 3.4Å; W239-I276 HydrophobicContact CH2-CD1 4.04Å; W239-I276 HydrophobicContact CZ2-CD1 3.89Å; F244-I276 HydrophobicContact CE1-CG1 4.16Å; F244-I276 HydrophobicContact CZ-CD1 4.41Å; F244-I276 HydrophobicContact CZ-CG1 4.09Å; P273-I276 HydrophobicContact CB-CD1 3.99Å; G274-I276 PolarHBondContact O-N 3.11Å; I276-Q278 PolarHBondContact O-N 3.29Å; I276-Q278 VanDerWaalsContact O-N 3.16Å; I276-Y279 PolarHBondContact O-N 3.18Å; I276-I280 HydrophobicContact CD1-CD1 3.86Å; I276-I280 HydrophobicContact CG1-CD1 4.09Å; I276-I280 PolarHBondContact O-N 2.8Å
277	M	97.8	Very high	97.9	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.015	21%	0.213	C	C	.	.	H	α-helix	trans	-67.4	-24.9	-168.5	-65.8	-52.3	-59.3	0	0	112.7	D125 Y126 F244 Y279 I280 N281 L294 L299	D125-M277 HydrophobicContact CB-CB 4.09Å; D125-M277 HydrophobicContact CB-CG 4.31Å; D125-M277 VanDerWaalsContact OD2-CB 3.22Å; D125-M277 WeakPolarHBondContact OD2-CB 3.46Å; D125-M277 VanDerWaalsContact OD2-CG 3.29Å; D125-M277 WeakPolarHBondContact OD2-CG 3.31Å; D125-M277 PolarHBondContact OD2-N 3.31Å; Y126-M277 HydrophobicContact CE2-CB 4.33Å; Y126-M277 HydrophobicContact CE2-CG 3.81Å; Y126-M277 WeakPolarHBondContact OH-CE 3.42Å; Y126-M277 WeakPolarHBondContact OH-CG 3.35Å; F244-M277 HydrophobicContact CD1-CG 4.2Å; F244-M277 HydrophobicContact CD2-CG 4.44Å; F244-M277 HydrophobicContact CE1-CG 3.78Å; F244-M277 HydrophobicContact CE1-SD 4.33Å; F244-M277 HydrophobicContact CE2-CG 4.02Å; F244-M277 HydrophobicContact CE2-SD 3.88Å; F244-M277 HydrophobicContact CZ-CG 3.68Å; F244-M277 HydrophobicContact CZ-SD 3.65Å; M277-Y279 PolarHBondContact O-N 3.49Å; M277-I280 HydrophobicContact CE-CB 4.29Å; M277-I280 HydrophobicContact CE-CG2 4.06Å; M277-I280 PolarHBondContact O-N 2.65Å; M277-I280 HydrophobicContact SD-CD1 4.12Å; M277-N281 WeakPolarHBondContact O-CB 3.48Å; M277-N281 PolarHBondContact O-N 3.01Å; M277-N281 PolarHBondContact O-ND2 3.01Å; M277-N281 VanDerWaalsContact O-ND2 3.12Å; M277-N281 PolarHBondContact O-OD1 2.91Å; M277-L294 HydrophobicContact CE-CB 4.15Å; M277-L294 HydrophobicContact CE-CD1 4.11Å; M277-L299 HydrophobicContact SD-CD1 4.07Å; M277-L299 HydrophobicContact SD-CD2 4.18Å
278	Q	96.8	Very high	97.8	Very high	97 Å²	97	46.8 Å²	46.8	45%	0.453	22%	0.219	S	C	.	.	H	α-helix	trans	-61.3	-30.8	174.4	65.6	-176	16.3	0	0	113.9	I276 R282	I276-Q278 PolarHBondContact O-N 3.29Å; I276-Q278 VanDerWaalsContact O-N 3.16Å; Q278-R282 WeakPolarHBondContact O-CG 3.36Å; Q278-R282 PolarHBondContact O-N 3Å; Q278-R282 PolarHBondContact O-NE 3.44Å
279	Y	97.8	Very high	97.7	Very high	77 Å²	77	46.3 Å²	46.3	30%	0.302	22%	0.215	S	C	.	.	H	α-helix	trans	-82.8	-43.5	178.4	-56.2	-80.4	0	0	0	110.5	I276 M277 R282 Y283	I276-Y279 PolarHBondContact O-N 3.18Å; M277-Y279 PolarHBondContact O-N 3.49Å; Y279-R282 WeakPolarHBondContact O-CB 3.36Å; Y279-R282 PolarHBondContact O-N 3.03Å; Y279-Y283 PolarHBondContact O-N 3.14Å
280	I	98	Very high	97.4	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-63.4	-45	177.8	-63.1	-179.4	0	0	0	110.7	I103 I276 M277 R282 Y283 W284 L294 L299 T302	I103-I280 HydrophobicContact CD1-CD1 4.42Å; I103-I280 HydrophobicContact CD1-CG1 4.07Å; I103-I280 HydrophobicContact CG2-CG1 4.47Å; I276-I280 HydrophobicContact CD1-CD1 3.86Å; I276-I280 HydrophobicContact CG1-CD1 4.09Å; I276-I280 PolarHBondContact O-N 2.8Å; M277-I280 HydrophobicContact CE-CB 4.29Å; M277-I280 HydrophobicContact CE-CG2 4.06Å; M277-I280 PolarHBondContact O-N 2.65Å; M277-I280 HydrophobicContact SD-CD1 4.12Å; I280-R282 VanDerWaalsContact C-N 3.27Å; I280-R282 PolarHBondContact O-N 3.5Å; I280-Y283 PolarHBondContact O-N 3.07Å; I280-W284 PolarHBondContact O-N 2.95Å; I280-W284 VanDerWaalsContact O-N 3.08Å; I280-L294 HydrophobicContact CG2-CD1 3.77Å; I280-L299 HydrophobicContact CD1-CD1 3.29Å; I280-T302 HydrophobicContact CG2-CG2 4.42Å
281	N	97.5	Very high	97.2	Very high	48 Å²	48	45.3 Å²	45.3	26%	0.257	22%	0.221	S	C	.	.	H	α-helix	trans	-61	-36.7	175.8	-68.9	-19.9	0	0	0	111.7	M277 K285 L294	M277-N281 WeakPolarHBondContact O-CB 3.48Å; M277-N281 PolarHBondContact O-N 3.01Å; M277-N281 PolarHBondContact O-ND2 3.01Å; M277-N281 VanDerWaalsContact O-ND2 3.12Å; M277-N281 PolarHBondContact O-OD1 2.91Å; N281-K285 WeakPolarHBondContact O-CB 3.4Å; N281-K285 PolarHBondContact O-N 2.65Å; N281-L294 VanDerWaalsContact OD1-CD1 3.22Å; N281-L294 WeakPolarHBondContact OD1-CD1 3.44Å
282	R	97.7	Very high	96.8	Very high	131 Å²	131	53.9 Å²	53.9	49%	0.494	26%	0.258	S	S	.	.	H	α-helix	trans	-61.9	-45.5	177.2	-87.1	-178	-90	173.5	-11.8	111.2	Q278 Y279 I280 K285 T286	Q278-R282 WeakPolarHBondContact O-CG 3.36Å; Q278-R282 PolarHBondContact O-N 3Å; Q278-R282 PolarHBondContact O-NE 3.44Å; Y279-R282 WeakPolarHBondContact O-CB 3.36Å; Y279-R282 PolarHBondContact O-N 3.03Å; I280-R282 VanDerWaalsContact C-N 3.27Å; I280-R282 PolarHBondContact O-N 3.5Å; R282-K285 PolarHBondContact O-N 3.45Å; R282-T286 WeakPolarHBondContact O-CG2 2.97Å; R282-T286 PolarHBondContact O-N 3.38Å
283	Y	98	Very high	96.6	Very high	1 Å²	1	56.7 Å²	56.7	0%	0.004	27%	0.268	C	S	.	.	H	α-helix	trans	-59.9	-55.4	175.2	172.5	-105.2	0	0	0	111.7	H95 E98 I99 H102 Y279 I280 K285 T286	H95-Y283 PolarHBondContact CE1-OH 3.45Å; H95-Y283 PolarHBondContact ND1-OH 2.7Å; H95-Y283 VanDerWaalsContact ND1-OH 3.12Å; H95-Y283 PolarHBondContact NE2-OH 3.31Å; H95-Y283 VanDerWaalsContact NE2-OH 3.1Å; E98-Y283 HydrophobicContact CB-CE2 3.86Å; I99-Y283 HydrophobicContact CD1-CE1 3.9Å; I99-Y283 HydrophobicContact CG1-CD1 3.87Å; I99-Y283 HydrophobicContact CG1-CD2 4.07Å; I99-Y283 HydrophobicContact CG1-CE1 3.4Å; I99-Y283 VanDerWaalsContact CG1-CE1 3.4Å; I99-Y283 HydrophobicContact CG1-CE2 3.64Å; I99-Y283 HydrophobicContact CG1-CG 4.17Å; H102-Y283 AromaticContact ND1-CD2 3.75Å; Y279-Y283 PolarHBondContact O-N 3.14Å; I280-Y283 PolarHBondContact O-N 3.07Å; Y283-K285 PolarHBondContact O-N 3.13Å; Y283-T286 WeakPolarHBondContact O-CB 3.38Å; Y283-T286 PolarHBondContact O-N 3.44Å; Y283-T286 PolarHBondContact O-OG1 3.29Å
284	W	98.1	Very high	96.5	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.4	-27	-176.6	-71.8	108.7	0	0	0	113.5	I280 T286 K287 Q288 L289 L294 I298 Y301 T302 L357 M361	I280-W284 PolarHBondContact O-N 2.95Å; I280-W284 VanDerWaalsContact O-N 3.08Å; W284-T286 VanDerWaalsContact C-N 3.28Å; W284-T286 PolarHBondContact O-N 3.02Å; W284-K287 HydrophobicContact CE3-CB 4.4Å; W284-K287 HydrophobicContact CE3-CG 4.48Å; W284-K287 CarbonylContact O-C 3.42Å; W284-K287 WeakPolarHBondContact O-CA 3.33Å; W284-K287 PolarHBondContact O-N 3.39Å; W284-Q288 PolarHBondContact O-N 3.17Å; W284-L289 CarbonylContact C-O 3.11Å; W284-L289 VanDerWaalsContact C-O 3.25Å; W284-L289 HydrophobicContact CB-CB 4.34Å; W284-L289 HydrophobicContact CB-CD2 4.26Å; W284-L289 HydrophobicContact CD2-CD2 4.3Å; W284-L289 HydrophobicContact CE3-CD2 4.06Å; W284-L289 HydrophobicContact CG-CD2 4.4Å; W284-L289 PolarHBondContact O-N 3.38Å; W284-L294 HydrophobicContact CB-CD1 4.17Å; W284-L294 HydrophobicContact CB-CD2 4.21Å; W284-L294 VanDerWaalsContact CD1-CD1 3.41Å; W284-L294 HydrophobicContact CG-CD1 3.99Å; W284-L294 HydrophobicContact CG-CD2 4.26Å; W284-I298 HydrophobicContact CD2-CD1 3.72Å; W284-I298 HydrophobicContact CD2-CG1 4.24Å; W284-I298 HydrophobicContact CE3-CD1 3.73Å; W284-I298 HydrophobicContact CG-CD1 4.46Å; W284-I298 HydrophobicContact CH2-CD1 3.81Å; W284-I298 HydrophobicContact CH2-CG1 3.81Å; W284-I298 HydrophobicContact CZ2-CD1 3.83Å; W284-I298 HydrophobicContact CZ2-CG1 3.52Å; W284-I298 HydrophobicContact CZ3-CD1 3.77Å; W284-I298 HydrophobicContact CZ3-CG1 4.3Å; W284-Y301 AromaticContact CH2-CD1 3.72Å; W284-Y301 HydrophobicContact CH2-CD1 3.72Å; W284-Y301 AromaticContact CH2-CE1 3.66Å; W284-Y301 HydrophobicContact CH2-CE1 3.66Å; W284-Y301 AromaticContact CZ2-CD1 3.69Å; W284-Y301 HydrophobicContact CZ2-CD1 3.69Å; W284-Y301 AromaticContact CZ2-CE1 3.91Å; W284-Y301 HydrophobicContact CZ2-CE1 3.91Å; W284-T302 WeakPolarHBondContact CZ2-OG1 3.1Å; W284-T302 PolarHBondContact NE1-OG1 3.39Å; W284-L357 HydrophobicContact CE3-CD2 3.61Å; W284-L357 HydrophobicContact CZ3-CD2 3.51Å; W284-L357 HydrophobicContact CZ3-CG 4.36Å; W284-M361 HydrophobicContact CH2-SD 4.41Å; W284-M361 HydrophobicContact CZ3-SD 4.38Å
285	K	97.4	Very high	96.5	Very high	145 Å²	145	57.6 Å²	57.6	63%	0.63	27%	0.273	S	S	*	.	H	α-helix	trans	-62.8	-32.6	172.3	-172.1	176.6	-179.6	-177.2	0	112.4	N281 R282 Y283 K287 Q288 L289	N281-K285 WeakPolarHBondContact O-CB 3.4Å; N281-K285 PolarHBondContact O-N 2.65Å; R282-K285 PolarHBondContact O-N 3.45Å; Y283-K285 PolarHBondContact O-N 3.13Å; K285-K287 PolarHBondContact O-N 3.28Å; K285-Q288 PolarHBondContact O-N 3.1Å; K285-Q288 VanDerWaalsContact O-N 3.13Å; K285-L289 PolarHBondContact N-O 3.31Å
286	T	97.3	Very high	96.5	Very high	69 Å²	69	57.2 Å²	57.2	42%	0.423	27%	0.273	S	S	.	.	H	α-helix	trans	-67.2	-23.7	174.3	78.8	0	0	0	0	112.2	R282 Y283 W284 Q288	R282-T286 WeakPolarHBondContact O-CG2 2.97Å; R282-T286 PolarHBondContact O-N 3.38Å; Y283-T286 WeakPolarHBondContact O-CB 3.38Å; Y283-T286 PolarHBondContact O-N 3.44Å; Y283-T286 PolarHBondContact O-OG1 3.29Å; W284-T286 VanDerWaalsContact C-N 3.28Å; W284-T286 PolarHBondContact O-N 3.02Å; T286-Q288 VanDerWaalsContact C-N 3.3Å; T286-Q288 PolarHBondContact O-NE2 2.84Å
287	K	96.6	Very high	96.5	Very high	54 Å²	54	57.5 Å²	57.5	24%	0.235	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	22.3	173.9	-51.6	-56.4	-179.4	-179.3	0	112.9	E98 W284 K285 L289 L357	E98-K287 IonicContact OE1-NZ 2.7Å; E98-K287 PolarHBondContact OE1-NZ 2.84Å; E98-K287 WeakPolarHBondContact OE2-CE 3.49Å; E98-K287 IonicContact OE2-NZ 3.6Å; E98-K287 PolarHBondContact OE2-NZ 3.27Å; W284-K287 HydrophobicContact CE3-CB 4.4Å; W284-K287 HydrophobicContact CE3-CG 4.48Å; W284-K287 CarbonylContact O-C 3.42Å; W284-K287 WeakPolarHBondContact O-CA 3.33Å; W284-K287 PolarHBondContact O-N 3.39Å; K285-K287 PolarHBondContact O-N 3.28Å; K287-L289 PolarHBondContact O-N 3.45Å; K287-L289 VanDerWaalsContact O-N 3.15Å; K287-L357 HydrophobicContact CB-CD1 4.45Å; K287-L357 HydrophobicContact CB-CD2 4.01Å
288	Q	95.7	Very high	96.5	Very high	166 Å²	166	57.3 Å²	57.3	78%	0.776	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	24.8	178.5	-61.3	72.4	38.5	0	0	114	W284 K285 T286	W284-Q288 PolarHBondContact O-N 3.17Å; K285-Q288 PolarHBondContact O-N 3.1Å; K285-Q288 VanDerWaalsContact O-N 3.13Å; T286-Q288 VanDerWaalsContact C-N 3.3Å; T286-Q288 PolarHBondContact O-NE2 2.84Å
289	L	95.7	Very high	96.6	Very high	6 Å²	6	53 Å²	53	3%	0.031	26%	0.255	C	S	.	.			trans	-111	105.2	176	179.8	67.2	0	0	0	109.8	W284 K285 K287 L294 I298 A353 E354 L357	W284-L289 CarbonylContact C-O 3.11Å; W284-L289 VanDerWaalsContact C-O 3.25Å; W284-L289 HydrophobicContact CB-CB 4.34Å; W284-L289 HydrophobicContact CB-CD2 4.26Å; W284-L289 HydrophobicContact CD2-CD2 4.3Å; W284-L289 HydrophobicContact CE3-CD2 4.06Å; W284-L289 HydrophobicContact CG-CD2 4.4Å; W284-L289 PolarHBondContact O-N 3.38Å; K285-L289 PolarHBondContact N-O 3.31Å; K287-L289 PolarHBondContact O-N 3.45Å; K287-L289 VanDerWaalsContact O-N 3.15Å; L289-L294 HydrophobicContact CD2-CD2 3.61Å; L289-L294 HydrophobicContact CG-CD2 3.98Å; L289-I298 HydrophobicContact CD2-CD1 3.3Å; L289-A353 HydrophobicContact CD1-CB 4.06Å; L289-E354 HydrophobicContact CD1-CG 3.92Å; L289-E354 HydrophobicContact CD2-CG 3.92Å; L289-L357 HydrophobicContact CB-CD2 4.12Å; L289-L357 HydrophobicContact CD2-CD2 4.02Å
290	S	93.9	Very high	96.6	Very high	82 Å²	82	49.3 Å²	49.3	57%	0.573	24%	0.241	S	C	*	.			trans	-133.6	60.8	-176.5	64.9	0	0	0	0	113.2
291	P	93.1	Very high	96.6	Very high	16 Å²	16	49.3 Å²	49.3	10%	0.104	24%	0.24	C	C	.	.			trans	-70.1	164.6	173.3	31.6	-35.7	0	0	0	111.2	R293 L294 Q350	P291-R293 PolarHBondContact O-N 2.96Å; P291-L294 HydrophobicContact CG-CD2 3.66Å; P291-L294 HydrophobicContact CG-CG 4.08Å; P291-Q350 HydrophobicContact CB-CB 4.02Å; P291-Q350 HydrophobicContact CB-CG 3.87Å
292	K	91.4	Very high	96.7	Very high	179 Å²	179	47 Å²	47	78%	0.778	23%	0.228	S	C	*	.	S	Bend	trans	-55.7	-37.1	165.7	-70.8	-177.2	179.7	176.6	0	111.2
293	R	93.9	Very high	96.7	Very high	60 Å²	60	40.9 Å²	40.9	23%	0.226	21%	0.205	C	C	.	.	S	Bend	trans	-148.9	123.1	178.6	177	175.1	63.8	177.9	9.6	111.3	Y126 P291 S348 H349	Y126-R293 HydrophobicContact CD1-CB 4.43Å; Y126-R293 HydrophobicContact CD2-CG 4.43Å; Y126-R293 HydrophobicContact CE1-CB 4.11Å; Y126-R293 HydrophobicContact CE1-CG 4.13Å; Y126-R293 HydrophobicContact CE2-CG 3.98Å; P291-R293 PolarHBondContact O-N 2.96Å; R293-S348 PolarHBondContact N-O 3.31Å; R293-S348 VanDerWaalsContact NH2-CB 3.28Å; R293-H349 PolarHBondContact NE-CE1 3.24Å; R293-H349 PolarHBondContact NE-NE2 2.92Å; R293-H349 PolarHBondContact NH2-NE2 3.48Å; R293-H349 PolarHBondContact O-ND1 2.95Å
294	L	97	Very high	96.7	Very high	7 Å²	7	40.9 Å²	40.9	4%	0.037	21%	0.205	C	C	.	.			trans	-63.6	146.9	168.4	-69.4	171.2	0	0	0	110.8	M277 I280 N281 W284 L289 P291 I298	M277-L294 HydrophobicContact CE-CB 4.15Å; M277-L294 HydrophobicContact CE-CD1 4.11Å; I280-L294 HydrophobicContact CG2-CD1 3.77Å; N281-L294 VanDerWaalsContact OD1-CD1 3.22Å; N281-L294 WeakPolarHBondContact OD1-CD1 3.44Å; W284-L294 HydrophobicContact CB-CD1 4.17Å; W284-L294 HydrophobicContact CB-CD2 4.21Å; W284-L294 VanDerWaalsContact CD1-CD1 3.41Å; W284-L294 HydrophobicContact CG-CD1 3.99Å; W284-L294 HydrophobicContact CG-CD2 4.26Å; L289-L294 HydrophobicContact CD2-CD2 3.61Å; L289-L294 HydrophobicContact CG-CD2 3.98Å; P291-L294 HydrophobicContact CG-CD2 3.66Å; P291-L294 HydrophobicContact CG-CG 4.08Å; L294-I298 HydrophobicContact CB-CG2 3.76Å; L294-I298 HydrophobicContact CD2-CD1 4.46Å; L294-I298 HydrophobicContact CD2-CG2 3.91Å; L294-I298 HydrophobicContact CG-CG2 4.29Å
295	S	97.2	Very high	96.7	Very high	17 Å²	17	40.9 Å²	40.9	12%	0.119	21%	0.206	C	C	.	.			trans	-69.9	159.4	175.4	79.6	0	0	0	0	112.8	G297 I298 L299 E354	S295-G297 PolarHBondContact O-N 3.18Å; S295-G297 PolarHBondContact OG-N 3.11Å; S295-I298 WeakPolarHBondContact O-CG2 3.31Å; S295-I298 PolarHBondContact OG-N 2.81Å; S295-L299 WeakPolarHBondContact O-CB 3.48Å; S295-L299 PolarHBondContact O-N 2.93Å; S295-E354 WeakPolarHBondContact CB-OE2 3.32Å; S295-E354 PolarHBondContact N-OE1 3.43Å; S295-E354 PolarHBondContact OG-OE2 3.02Å
296	T	97.4	Very high	96.6	Very high	40 Å²	40	35.7 Å²	35.7	25%	0.245	19%	0.187	C	C	.	.	H	α-helix	trans	-58.6	-32.5	168.7	-52.2	0	0	0	0	111.5	C184 N185 T204 L299 M300	C184-T296 HydrophobicContact CB-CG2 4.05Å; N185-T296 PolarHBondContact OD1-OG1 3.35Å; T204-T296 HydrophobicContact CG2-CG2 3.93Å; T204-T296 VanDerWaalsContact OG1-CG2 3.29Å; T204-T296 WeakPolarHBondContact OG1-CG2 3.4Å; T296-L299 WeakPolarHBondContact O-CB 3.15Å; T296-L299 PolarHBondContact O-N 3.39Å; T296-M300 HydrophobicContact CG2-CG 4.34Å; T296-M300 WeakPolarHBondContact O-CG 3.05Å; T296-M300 PolarHBondContact O-N 3.31Å
297	G	97.9	Very high	96.6	Very high	8 Å²	8	32.5 Å²	32.5	8%	0.082	17%	0.168	C	C	.	.	H	α-helix	trans	-64.9	-49.7	-178	0	0	0	0	0	112.4	S295 L299 M300 Y301	S295-G297 PolarHBondContact O-N 3.18Å; S295-G297 PolarHBondContact OG-N 3.11Å; G297-L299 VanDerWaalsContact C-N 3.29Å; G297-L299 PolarHBondContact O-N 2.85Å; G297-M300 PolarHBondContact O-N 2.88Å; G297-Y301 PolarHBondContact O-N 2.72Å
298	I	97.9	Very high	96.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-69.5	-30.4	178.2	-158.7	173.7	0	0	0	112.1	W284 L289 L294 S295 Y301 T302 E354	W284-I298 HydrophobicContact CD2-CD1 3.72Å; W284-I298 HydrophobicContact CD2-CG1 4.24Å; W284-I298 HydrophobicContact CE3-CD1 3.73Å; W284-I298 HydrophobicContact CG-CD1 4.46Å; W284-I298 HydrophobicContact CH2-CD1 3.81Å; W284-I298 HydrophobicContact CH2-CG1 3.81Å; W284-I298 HydrophobicContact CZ2-CD1 3.83Å; W284-I298 HydrophobicContact CZ2-CG1 3.52Å; W284-I298 HydrophobicContact CZ3-CD1 3.77Å; W284-I298 HydrophobicContact CZ3-CG1 4.3Å; L289-I298 HydrophobicContact CD2-CD1 3.3Å; L294-I298 HydrophobicContact CB-CG2 3.76Å; L294-I298 HydrophobicContact CD2-CD1 4.46Å; L294-I298 HydrophobicContact CD2-CG2 3.91Å; L294-I298 HydrophobicContact CG-CG2 4.29Å; S295-I298 WeakPolarHBondContact O-CG2 3.31Å; S295-I298 PolarHBondContact OG-N 2.81Å; I298-Y301 PolarHBondContact O-N 3.26Å; I298-T302 PolarHBondContact O-N 2.91Å; I298-T302 PolarHBondContact O-OG1 3.48Å; I298-E354 HydrophobicContact CD1-CG 4.3Å
299	L	98.5	Very high	96.8	Very high	6 Å²	6	24.3 Å²	24.3	3%	0.031	13%	0.13	C	C	.	.	H	α-helix	trans	-61.5	-47.1	169.1	173.9	59.8	0	0	0	111.2	W239 F244 M277 I280 S295 T296 G297 Y301 T302 L303	W239-L299 HydrophobicContact CH2-CD1 4.49Å; W239-L299 HydrophobicContact CH2-CD2 3.78Å; W239-L299 HydrophobicContact CH2-CG 4.38Å; W239-L299 HydrophobicContact CZ3-CD2 3.83Å; F244-L299 HydrophobicContact CE2-CD2 3.87Å; F244-L299 HydrophobicContact CZ-CD2 4.32Å; M277-L299 HydrophobicContact SD-CD1 4.07Å; M277-L299 HydrophobicContact SD-CD2 4.18Å; I280-L299 HydrophobicContact CD1-CD1 3.29Å; S295-L299 WeakPolarHBondContact O-CB 3.48Å; S295-L299 PolarHBondContact O-N 2.93Å; T296-L299 WeakPolarHBondContact O-CB 3.15Å; T296-L299 PolarHBondContact O-N 3.39Å; G297-L299 VanDerWaalsContact C-N 3.29Å; G297-L299 PolarHBondContact O-N 2.85Å; L299-Y301 VanDerWaalsContact C-N 3.35Å; L299-Y301 PolarHBondContact O-N 3.43Å; L299-T302 WeakPolarHBondContact O-CA 3.39Å; L299-T302 VanDerWaalsContact O-CB 3.31Å; L299-T302 WeakPolarHBondContact O-CB 3.25Å; L299-T302 PolarHBondContact O-N 3Å; L299-T302 VanDerWaalsContact O-N 3.09Å; L299-L303 HydrophobicContact CD1-CG 4.46Å; L299-L303 WeakPolarHBondContact O-CG 3.48Å; L299-L303 PolarHBondContact O-N 3.04Å
300	M	98.6	Very high	96.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.6	-38.7	176.7	-71.2	-54.4	94.8	0	0	112.7	V159 F182 L202 T204 W239 T296 G297 T302 L303 A304	V159-M300 HydrophobicContact CG1-CB 3.69Å; F182-M300 HydrophobicContact CD1-SD 4.38Å; L202-M300 HydrophobicContact CD2-SD 3.65Å; T204-M300 HydrophobicContact CG2-CE 3.37Å; T204-M300 HydrophobicContact CG2-CG 4.07Å; T204-M300 HydrophobicContact CG2-SD 3.29Å; T204-M300 WeakPolarHBondContact CG2-SD 3.19Å; W239-M300 HydrophobicContact CE3-CE 4.15Å; W239-M300 HydrophobicContact CZ3-CE 4.18Å; T296-M300 HydrophobicContact CG2-CG 4.34Å; T296-M300 WeakPolarHBondContact O-CG 3.05Å; T296-M300 PolarHBondContact O-N 3.31Å; G297-M300 PolarHBondContact O-N 2.88Å; M300-T302 VanDerWaalsContact C-N 3.32Å; M300-T302 PolarHBondContact O-N 3.11Å; M300-L303 HydrophobicContact CE-CD1 3.34Å; M300-L303 HydrophobicContact CE-CG 4.13Å; M300-L303 PolarHBondContact O-N 3.48Å; M300-L303 HydrophobicContact SD-CD1 4.22Å; M300-A304 VanDerWaalsContact O-CB 3.28Å; M300-A304 WeakPolarHBondContact O-CB 3.21Å; M300-A304 PolarHBondContact O-N 3.16Å
301	Y	98.6	Very high	97.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-58.1	-45.8	170	167.8	-97.7	0	0	0	111.5	H95 W284 G297 I298 L299 L303 A304 S305 I311 L313 M361 I367	H95-Y301 PolarHBondContact CD2-OH 2.89Å; H95-Y301 AromaticContact NE2-CE1 3.53Å; H95-Y301 AromaticContact NE2-CZ 3.64Å; H95-Y301 PolarHBondContact NE2-OH 3.24Å; W284-Y301 AromaticContact CH2-CD1 3.72Å; W284-Y301 HydrophobicContact CH2-CD1 3.72Å; W284-Y301 AromaticContact CH2-CE1 3.66Å; W284-Y301 HydrophobicContact CH2-CE1 3.66Å; W284-Y301 AromaticContact CZ2-CD1 3.69Å; W284-Y301 HydrophobicContact CZ2-CD1 3.69Å; W284-Y301 AromaticContact CZ2-CE1 3.91Å; W284-Y301 HydrophobicContact CZ2-CE1 3.91Å; G297-Y301 PolarHBondContact O-N 2.72Å; I298-Y301 PolarHBondContact O-N 3.26Å; L299-Y301 VanDerWaalsContact C-N 3.35Å; L299-Y301 PolarHBondContact O-N 3.43Å; Y301-L303 VanDerWaalsContact C-N 3.34Å; Y301-L303 PolarHBondContact O-N 2.92Å; Y301-A304 PolarHBondContact O-N 2.92Å; Y301-S305 PolarHBondContact O-N 2.95Å; Y301-I311 HydrophobicContact CD2-CD1 4.01Å; Y301-I311 HydrophobicContact CD2-CG2 4.12Å; Y301-I311 HydrophobicContact CE2-CD1 3.82Å; Y301-I311 HydrophobicContact CE2-CG2 4.47Å; Y301-L313 HydrophobicContact CD2-CD2 4.39Å; Y301-M361 HydrophobicContact CE1-CE 3.58Å; Y301-M361 HydrophobicContact CE2-CE 4.18Å; Y301-M361 WeakPolarHBondContact OH-CE 3.4Å; Y301-I367 HydrophobicContact CD2-CG2 4.05Å; Y301-I367 HydrophobicContact CE2-CG2 3.3Å
302	T	98.4	Very high	97.4	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.006	11%	0.107	C	C	.	.	H	α-helix	trans	-57.6	-48.1	177.8	-50.8	0	0	0	0	110.4	I99 I105 I280 W284 I298 L299 M300 S305	I99-T302 HydrophobicContact CG2-CG2 3.98Å; I105-T302 HydrophobicContact CD1-CG2 3.96Å; I105-T302 WeakPolarHBondContact CD1-O 2.96Å; I280-T302 HydrophobicContact CG2-CG2 4.42Å; W284-T302 WeakPolarHBondContact CZ2-OG1 3.1Å; W284-T302 PolarHBondContact NE1-OG1 3.39Å; I298-T302 PolarHBondContact O-N 2.91Å; I298-T302 PolarHBondContact O-OG1 3.48Å; L299-T302 WeakPolarHBondContact O-CA 3.39Å; L299-T302 VanDerWaalsContact O-CB 3.31Å; L299-T302 WeakPolarHBondContact O-CB 3.25Å; L299-T302 PolarHBondContact O-N 3Å; L299-T302 VanDerWaalsContact O-N 3.09Å; M300-T302 VanDerWaalsContact C-N 3.32Å; M300-T302 PolarHBondContact O-N 3.11Å; T302-S305 PolarHBondContact O-N 3.35Å; T302-S305 PolarHBondContact O-OG 3.42Å
303	L	98.1	Very high	97.7	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.01	7%	0.07	C	C	.	.	H	α-helix	trans	-62.3	-48	177.3	-59.1	-173.4	0	0	0	112	I105 F109 W239 L299 M300 Y301 S305 S306 M307	I105-L303 HydrophobicContact CG2-CD2 3.68Å; F109-L303 HydrophobicContact CD2-CD1 4.1Å; F109-L303 HydrophobicContact CD2-CD2 4.45Å; F109-L303 HydrophobicContact CE2-CD1 3.96Å; W239-L303 HydrophobicContact CD2-CD1 4.4Å; W239-L303 HydrophobicContact CH2-CD1 4.38Å; W239-L303 HydrophobicContact CZ2-CD1 3.81Å; L299-L303 HydrophobicContact CD1-CG 4.46Å; L299-L303 WeakPolarHBondContact O-CG 3.48Å; L299-L303 PolarHBondContact O-N 3.04Å; M300-L303 HydrophobicContact CE-CD1 3.34Å; M300-L303 HydrophobicContact CE-CG 4.13Å; M300-L303 PolarHBondContact O-N 3.48Å; M300-L303 HydrophobicContact SD-CD1 4.22Å; Y301-L303 VanDerWaalsContact C-N 3.34Å; Y301-L303 PolarHBondContact O-N 2.92Å; L303-S305 PolarHBondContact O-N 3.43Å; L303-S306 PolarHBondContact O-N 3.03Å; L303-S306 VanDerWaalsContact O-N 3.16Å; L303-S306 PolarHBondContact O-OG 3.3Å; L303-M307 WeakPolarHBondContact O-CE 3.34Å
304	A	98.4	Very high	98	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-57.4	-37.6	180	0	0	0	0	0	112.1	V159 F182 M300 Y301 S306 M307 C308 I311	V159-A304 HydrophobicContact CG2-CB 3.91Å; F182-A304 HydrophobicContact CD2-CB 4.03Å; F182-A304 HydrophobicContact CE1-CB 4.23Å; F182-A304 HydrophobicContact CE2-CB 3.54Å; F182-A304 HydrophobicContact CZ-CB 3.67Å; M300-A304 VanDerWaalsContact O-CB 3.28Å; M300-A304 WeakPolarHBondContact O-CB 3.21Å; M300-A304 PolarHBondContact O-N 3.16Å; Y301-A304 PolarHBondContact O-N 2.92Å; A304-S306 PolarHBondContact O-N 3.33Å; A304-M307 PolarHBondContact O-N 3.47Å; A304-C308 VanDerWaalsContact O-CB 3.23Å; A304-C308 WeakPolarHBondContact O-CB 3.25Å; A304-C308 PolarHBondContact O-N 3.11Å; A304-C308 PolarHBondContact O-SG 3.36Å; A304-C308 VanDerWaalsContact O-SG 3.34Å; A304-I311 HydrophobicContact CB-CD1 3.71Å; A304-I311 HydrophobicContact CB-CG1 4.35Å
305	S	97.5	Very high	98	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.007	6%	0.06	C	C	.	.	H	α-helix	trans	-56.1	-28.1	179.8	77	0	0	0	0	113.9	R96 I99 Y301 T302 L303	R96-S305 WeakPolarHBondContact CD-O 3.44Å; R96-S305 WeakPolarHBondContact CG-O 3.21Å; R96-S305 PolarHBondContact NE-O 2.94Å; I99-S305 VanDerWaalsContact CD1-OG 3.3Å; I99-S305 WeakPolarHBondContact CD1-OG 3.24Å; Y301-S305 PolarHBondContact O-N 2.95Å; T302-S305 PolarHBondContact O-N 3.35Å; T302-S305 PolarHBondContact O-OG 3.42Å; L303-S305 PolarHBondContact O-N 3.43Å
306	S	95.8	Very high	98.1	Very high	36 Å²	36	10.3 Å²	10.3	25%	0.252	6%	0.058	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-20.2	179.1	66.8	0	0	0	0	114.8	I105 L303 A304	I105-S306 VanDerWaalsContact CG2-OG 3.3Å; I105-S306 WeakPolarHBondContact CG2-OG 3.43Å; L303-S306 PolarHBondContact O-N 3.03Å; L303-S306 VanDerWaalsContact O-N 3.16Å; L303-S306 PolarHBondContact O-OG 3.3Å; A304-S306 PolarHBondContact O-N 3.33Å
307	M	96.2	Very high	98	Very high	2 Å²	2	8.6 Å²	8.6	1%	0.01	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.7	-3.8	-170.8	67.7	-172.7	83.2	0	0	114.3	I149 K152 H153 Y154 F182 L303 A304	I149-M307 HydrophobicContact CB-CE 4Å; I149-M307 HydrophobicContact CB-SD 4.45Å; I149-M307 HydrophobicContact CD1-CE 3.45Å; I149-M307 VanDerWaalsContact CD1-CE 3.45Å; I149-M307 HydrophobicContact CG1-CE 4.34Å; I149-M307 HydrophobicContact CG2-CE 3.86Å; I149-M307 HydrophobicContact CG2-SD 4.15Å; K152-M307 WeakPolarHBondContact O-CB 3.44Å; H153-M307 CarbonylContact C-O 3.41Å; H153-M307 WeakPolarHBondContact CA-O 3.21Å; Y154-M307 HydrophobicContact CD2-CB 4.2Å; Y154-M307 HydrophobicContact CD2-CG 4Å; Y154-M307 HydrophobicContact CD2-SD 4.3Å; Y154-M307 HydrophobicContact CE2-CB 4.45Å; Y154-M307 HydrophobicContact CE2-CG 4.27Å; Y154-M307 HydrophobicContact CE2-SD 4.01Å; Y154-M307 PolarHBondContact N-O 2.88Å; F182-M307 HydrophobicContact CE1-CE 4.45Å; F182-M307 HydrophobicContact CE1-SD 4.18Å; F182-M307 HydrophobicContact CZ-CE 4.39Å; F182-M307 HydrophobicContact CZ-CG 4.11Å; F182-M307 HydrophobicContact CZ-SD 3.7Å; L303-M307 WeakPolarHBondContact O-CE 3.34Å; A304-M307 PolarHBondContact O-N 3.47Å
308	C	98.4	Very high	97.9	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	127.7	-174.7	-61.9	0	0	0	0	111.7	F92 R96 Y154 C157 A304 I311	F92-C308 VanDerWaalsContact CE1-O 3.23Å; F92-C308 WeakPolarHBondContact CE1-O 3.41Å; F92-C308 WeakPolarHBondContact CZ-O 3.38Å; R96-C308 PolarHBondContact NH2-O 3.01Å; Y154-C308 CarbonylContact O-C 3.55Å; Y154-C308 WeakPolarHBondContact O-CA 2.86Å; C157-C308 HydrophobicContact CB-CB 3.6Å; C157-C308 WeakPolarHBondContact CB-SG 3.44Å; C157-C308 WeakPolarHBondContact SG-CB 3.38Å; C157-C308 CovalentContact SG-SG 2.02Å; C157-C308 PolarHBondContact SG-SG 3.03Å; A304-C308 VanDerWaalsContact O-CB 3.23Å; A304-C308 WeakPolarHBondContact O-CB 3.25Å; A304-C308 PolarHBondContact O-N 3.11Å; A304-C308 PolarHBondContact O-SG 3.36Å; A304-C308 VanDerWaalsContact O-SG 3.34Å; C308-I311 HydrophobicContact CB-CD1 4.26Å; C308-I311 HydrophobicContact CB-CG1 3.79Å
309	E	98.1	Very high	97.7	Very high	47 Å²	47	8.8 Å²	8.8	22%	0.22	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	-27.9	177	-66.7	-62.3	110.9	0	0	113.4	Y87 R89 F92 R96 Y154 N155	Y87-E309 VanDerWaalsContact CZ-O 3.27Å; Y87-E309 PolarHBondContact OH-O 3.03Å; R89-E309 IonicContact NH1-OE2 3.24Å; R89-E309 PolarHBondContact NH1-OE2 3.37Å; F92-E309 WeakPolarHBondContact CE1-O 3.41Å; R96-E309 IonicContact CZ-OE1 3.31Å; R96-E309 IonicContact NH1-OE1 2.66Å; R96-E309 PolarHBondContact NH1-OE1 2.98Å; R96-E309 IonicContact NH2-OE1 3.49Å; R96-E309 PolarHBondContact NH2-OE1 3.43Å; Y154-E309 PolarHBondContact O-N 2.85Å; N155-E309 CarbonylContact O-C 3.49Å; N155-E309 WeakPolarHBondContact O-CA 3.46Å; N155-E309 VanDerWaalsContact O-CB 3.28Å; N155-E309 WeakPolarHBondContact O-CB 3.38Å; N155-E309 PolarHBondContact O-N 2.04Å
310	E	98.5	Very high	97.3	Very high	32 Å²	32	9.2 Å²	9.2	15%	0.15	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	141.3	176.2	-176.7	176.8	145.5	0	0	109.5	W85 Y87 N155 V156 C157 H312	W85-E310 HydrophobicContact CH2-CG 4.38Å; W85-E310 WeakPolarHBondContact CH2-OE1 3.43Å; Y87-E310 HydrophobicContact CD1-CB 4.38Å; Y87-E310 HydrophobicContact CD1-CG 4.07Å; Y87-E310 WeakPolarHBondContact CD1-OE2 3.3Å; Y87-E310 HydrophobicContact CD2-CG 4.02Å; Y87-E310 HydrophobicContact CE1-CB 4.02Å; Y87-E310 HydrophobicContact CE1-CG 4.15Å; Y87-E310 HydrophobicContact CE2-CB 4.48Å; Y87-E310 HydrophobicContact CE2-CG 4.14Å; Y87-E310 HydrophobicContact CG-CG 4.04Å; N155-E310 PolarHBondContact O-N 2.87Å; V156-E310 HydrophobicContact CG1-CB 4.12Å; V156-E310 HydrophobicContact CG1-CG 4.2Å; C157-E310 PolarHBondContact N-O 2.89Å; E310-H312 IonicContact OE1-CD2 3.68Å; E310-H312 IonicContact OE1-CE1 3.72Å; E310-H312 IonicContact OE1-NE2 3.29Å; E310-H312 PolarHBondContact OE1-NE2 3.01Å
311	I	98.8	Very high	97	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	126.1	-175.3	-60	172.4	0	0	0	111.5	F92 C157 V159 Y301 A304 C308 L313 I367 K368	F92-I311 HydrophobicContact CE2-CD1 3.88Å; F92-I311 HydrophobicContact CE2-CG1 4.31Å; F92-I311 HydrophobicContact CZ-CD1 3.72Å; F92-I311 HydrophobicContact CZ-CG1 4.05Å; C157-I311 WeakPolarHBondContact O-CA 3.42Å; V159-I311 HydrophobicContact CG2-CG2 3.91Å; Y301-I311 HydrophobicContact CD2-CD1 4.01Å; Y301-I311 HydrophobicContact CD2-CG2 4.12Å; Y301-I311 HydrophobicContact CE2-CD1 3.82Å; Y301-I311 HydrophobicContact CE2-CG2 4.47Å; A304-I311 HydrophobicContact CB-CD1 3.71Å; A304-I311 HydrophobicContact CB-CG1 4.35Å; C308-I311 HydrophobicContact CB-CD1 4.26Å; C308-I311 HydrophobicContact CB-CG1 3.79Å; I311-L313 HydrophobicContact CG2-CD2 3.73Å; I311-I367 HydrophobicContact CB-CG2 4.29Å; I311-I367 WeakPolarHBondContact O-CA 3.33Å; I311-K368 PolarHBondContact O-N 3.36Å; I311-K368 VanDerWaalsContact O-N 3.09Å
312	H	98.8	Very high	96.6	Very high	16 Å²	16	12.6 Å²	12.6	7%	0.074	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	132.2	173.5	-67.5	-153.8	0	0	0	109.6	C157 A158 V159 F178 E310 Y314 K368	C157-H312 PolarHBondContact O-N 3.2Å; A158-H312 CarbonylContact C-O 3.25Å; A158-H312 WeakPolarHBondContact CA-O 3.4Å; V159-H312 PolarHBondContact N-O 3.3Å; F178-H312 HydrophobicContact CE1-CB 3.59Å; F178-H312 AromaticContact CE1-CD2 3.94Å; F178-H312 AromaticContact CE1-CE1 3.99Å; F178-H312 AromaticContact CE1-CG 3.43Å; F178-H312 VanDerWaalsContact CE1-CG 3.43Å; F178-H312 AromaticContact CE1-ND1 3.5Å; F178-H312 HydrophobicContact CZ-CB 3.6Å; F178-H312 AromaticContact CZ-CG 3.57Å; F178-H312 AromaticContact CZ-ND1 3.29Å; F178-H312 VanDerWaalsContact CZ-ND1 3.29Å; F178-H312 WeakPolarHBondContact CZ-ND1 3.36Å; E310-H312 IonicContact OE1-CD2 3.68Å; E310-H312 IonicContact OE1-CE1 3.72Å; E310-H312 IonicContact OE1-NE2 3.29Å; E310-H312 PolarHBondContact OE1-NE2 3.01Å; H312-Y314 HydrophobicContact CB-CE2 3.71Å; H312-K368 CarbonylContact C-O 3.55Å; H312-K368 WeakPolarHBondContact CA-O 3.44Å; H312-K368 HydrophobicContact CB-CB 4.3Å; H312-K368 VanDerWaalsContact CE1-CD 3.44Å; H312-K368 WeakPolarHBondContact CE1-CD 3.47Å; H312-K368 VanDerWaalsContact ND1-CD 3.29Å; H312-K368 WeakPolarHBondContact ND1-CD 3.47Å
313	L	98.9	Very high	96	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129.4	-177.7	-57.2	-170.3	0	0	0	110.2	V159 Y301 I311 F316 L358 I367 K368 L369 T370	V159-L313 HydrophobicContact CB-CD2 3.66Å; V159-L313 HydrophobicContact CG1-CD2 4.4Å; V159-L313 HydrophobicContact CG2-CD2 4.1Å; V159-L313 WeakPolarHBondContact O-CA 3.46Å; Y301-L313 HydrophobicContact CD2-CD2 4.39Å; I311-L313 HydrophobicContact CG2-CD2 3.73Å; L313-F316 HydrophobicContact CB-CD2 3.77Å; L313-F316 HydrophobicContact CB-CE2 4.1Å; L313-F316 HydrophobicContact CB-CG 4.35Å; L313-F316 HydrophobicContact CD1-CD2 4.48Å; L313-F316 HydrophobicContact CD1-CG 4.47Å; L313-F316 HydrophobicContact CD2-CE2 4.07Å; L313-F316 HydrophobicContact CD2-CZ 4.29Å; L313-F316 HydrophobicContact CG-CD2 4.5Å; L313-F316 HydrophobicContact CG-CE2 4.48Å; L313-L358 HydrophobicContact CD1-CB 4.48Å; L313-L358 HydrophobicContact CD1-CD1 4.09Å; L313-L358 HydrophobicContact CD1-CD2 3.87Å; L313-L358 HydrophobicContact CD1-CG 4.37Å; L313-I367 HydrophobicContact CD1-CD1 3.65Å; L313-I367 HydrophobicContact CD1-CG1 4.25Å; L313-I367 HydrophobicContact CG-CD1 4.04Å; L313-K368 PolarHBondContact N-O 3.41Å; L313-L369 HydrophobicContact CB-CD1 3.86Å; L313-L369 HydrophobicContact CD1-CD1 4.4Å; L313-T370 PolarHBondContact O-N 3.35Å
314	Y	98.8	Very high	95.4	Very high	1 Å²	1	17.4 Å²	17.4	0%	0.004	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	141.5	176.8	-64.3	-92.7	0	0	0	109.4	A158 V159 V160 G161 C171 E174 I175 F178 H312 F316 T370	A158-Y314 HydrophobicContact CB-CD2 4.25Å; A158-Y314 HydrophobicContact CB-CE2 4.15Å; V159-Y314 PolarHBondContact O-N 3.23Å; V160-Y314 WeakPolarHBondContact CA-O 3.42Å; G161-Y314 PolarHBondContact N-O 2.66Å; C171-Y314 HydrophobicContact CB-CD1 4.05Å; C171-Y314 HydrophobicContact CB-CE1 4.12Å; E174-Y314 PolarHBondContact OE1-OH 3.14Å; I175-Y314 HydrophobicContact CD1-CD1 4.07Å; I175-Y314 HydrophobicContact CD1-CD2 4.35Å; I175-Y314 HydrophobicContact CD1-CG 3.97Å; I175-Y314 HydrophobicContact CG1-CD1 4.14Å; I175-Y314 HydrophobicContact CG1-CD2 3.99Å; I175-Y314 HydrophobicContact CG1-CE1 4.17Å; I175-Y314 HydrophobicContact CG1-CE2 4.02Å; I175-Y314 HydrophobicContact CG1-CG 4.05Å; F178-Y314 AromaticContact CE2-CE2 3.85Å; F178-Y314 HydrophobicContact CE2-CE2 3.85Å; F178-Y314 AromaticContact CE2-CZ 4Å; F178-Y314 WeakPolarHBondContact CE2-OH 3.44Å; F178-Y314 AromaticContact CZ-CE2 3.89Å; F178-Y314 HydrophobicContact CZ-CE2 3.89Å; F178-Y314 VanDerWaalsContact CZ-OH 3.29Å; F178-Y314 WeakPolarHBondContact CZ-OH 3.25Å; H312-Y314 HydrophobicContact CB-CE2 3.71Å; Y314-F316 VanDerWaalsContact C-N 3.33Å; Y314-F316 VanDerWaalsContact O-CD2 3.25Å; Y314-F316 WeakPolarHBondContact O-CD2 3.39Å; Y314-F316 PolarHBondContact O-N 3.37Å; Y314-T370 HydrophobicContact CD1-CG2 3.92Å; Y314-T370 HydrophobicContact CE1-CG2 3.8Å; Y314-T370 WeakPolarHBondContact CE1-OG1 3.47Å
315	G	98.3	Very high	94.9	Very high	5 Å²	5	21.3 Å²	21.3	5%	0.052	12%	0.117	C	C	.	.	S	Bend	trans	71.6	25.2	176.5	0	0	0	0	0	114.7	G161 S163	G161-G315 CarbonylContact C-O 3.55Å; S163-G315 WeakPolarHBondContact CB-O 3.49Å; S163-G315 PolarHBondContact N-O 2.69Å; S163-G315 VanDerWaalsContact N-O 3.11Å
316	F	98.2	Very high	94.4	Very high	19 Å²	19	23.9 Å²	23.9	8%	0.083	14%	0.143	C	C	.	.			trans	-100.3	77.8	172.8	-77.1	-102.6	0	0	0	109.5	V159 L313 Y314 F355 L358 L369	V159-F316 HydrophobicContact CB-CE2 4.37Å; V159-F316 HydrophobicContact CG1-CE2 3.96Å; V159-F316 HydrophobicContact CG1-CZ 3.8Å; V159-F316 WeakPolarHBondContact O-CE2 3.44Å; L313-F316 HydrophobicContact CB-CD2 3.77Å; L313-F316 HydrophobicContact CB-CE2 4.1Å; L313-F316 HydrophobicContact CB-CG 4.35Å; L313-F316 HydrophobicContact CD1-CD2 4.48Å; L313-F316 HydrophobicContact CD1-CG 4.47Å; L313-F316 HydrophobicContact CD2-CE2 4.07Å; L313-F316 HydrophobicContact CD2-CZ 4.29Å; L313-F316 HydrophobicContact CG-CD2 4.5Å; L313-F316 HydrophobicContact CG-CE2 4.48Å; Y314-F316 VanDerWaalsContact C-N 3.33Å; Y314-F316 VanDerWaalsContact O-CD2 3.25Å; Y314-F316 WeakPolarHBondContact O-CD2 3.39Å; Y314-F316 PolarHBondContact O-N 3.37Å; F316-F355 WeakPolarHBondContact O-CD2 3.45Å; F316-F355 WeakPolarHBondContact O-CE2 3.46Å; F316-L358 HydrophobicContact CD1-CD1 3.45Å; F316-L358 VanDerWaalsContact CD1-CD1 3.45Å; F316-L358 HydrophobicContact CE1-CD1 3.94Å; F316-L358 HydrophobicContact CG-CD1 4.29Å; F316-L369 HydrophobicContact CB-CD1 3.72Å
317	W	96.3	Very high	94.1	Very high	5 Å²	5	29.3 Å²	29.3	2%	0.019	16%	0.162	C	C	.	.			trans	-146.9	102.7	179.2	176.8	-101.2	0	0	0	109.6	L74 I78 S163 V165 F319 W321 P323 F355 L371	L74-W317 HydrophobicContact CD2-CH2 3.76Å; L74-W317 HydrophobicContact CD2-CZ3 3.63Å; I78-W317 HydrophobicContact CD1-CZ3 4.21Å; S163-W317 VanDerWaalsContact CB-O 3.26Å; S163-W317 WeakPolarHBondContact CB-O 3.48Å; S163-W317 WeakPolarHBondContact OG-CB 3.3Å; S163-W317 PolarHBondContact OG-O 2.85Å; V165-W317 HydrophobicContact CB-CB 3.9Å; V165-W317 HydrophobicContact CB-CG 4.12Å; V165-W317 HydrophobicContact CG1-CB 3.71Å; V165-W317 HydrophobicContact CG1-CG 4.45Å; V165-W317 HydrophobicContact CG2-CB 4.35Å; V165-W317 HydrophobicContact CG2-CG 4.31Å; W317-F319 VanDerWaalsContact C-N 3.25Å; W317-F319 VanDerWaalsContact CD1-O 3.32Å; W317-F319 HydrophobicContact CD2-CB 4.44Å; W317-F319 AromaticContact CD2-CD2 3.67Å; W317-F319 HydrophobicContact CD2-CD2 3.67Å; W317-F319 AromaticContact CE2-CD2 3.58Å; W317-F319 AromaticContact CE3-CD2 3.73Å; W317-F319 HydrophobicContact CE3-CD2 3.73Å; W317-F319 HydrophobicContact CE3-CE2 4.16Å; W317-F319 HydrophobicContact CG-CD2 4.42Å; W317-F319 AromaticContact CH2-CD2 3.61Å; W317-F319 HydrophobicContact CH2-CD2 3.61Å; W317-F319 HydrophobicContact CH2-CE2 4.17Å; W317-F319 HydrophobicContact CH2-CG 4.46Å; W317-F319 HydrophobicContact CZ2-CB 3.82Å; W317-F319 AromaticContact CZ2-CD2 3.57Å; W317-F319 HydrophobicContact CZ2-CD2 3.57Å; W317-F319 HydrophobicContact CZ2-CG 4.09Å; W317-F319 AromaticContact CZ3-CD2 3.69Å; W317-F319 HydrophobicContact CZ3-CD2 3.69Å; W317-F319 AromaticContact CZ3-CE2 3.97Å; W317-F319 HydrophobicContact CZ3-CE2 3.97Å; W317-F319 PolarHBondContact NE1-O 3.41Å; W317-F319 PolarHBondContact O-N 3.37Å; W317-W321 VanDerWaalsContact CE2-O 3.26Å; W317-W321 AromaticContact CZ2-CD1 3.92Å; W317-W321 AromaticContact CZ2-NE1 3.54Å; W317-W321 WeakPolarHBondContact CZ2-O 3.27Å; W317-W321 PolarHBondContact NE1-O 2.92Å; W317-P323 HydrophobicContact CD2-CG 4.44Å; W317-P323 HydrophobicContact CE3-CG 4.45Å; W317-P323 HydrophobicContact CH2-CB 3.66Å; W317-P323 HydrophobicContact CH2-CG 4.29Å; W317-P323 HydrophobicContact CZ2-CB 3.88Å; W317-P323 HydrophobicContact CZ2-CG 4.23Å; W317-P323 HydrophobicContact CZ3-CB 4.02Å; W317-P323 HydrophobicContact CZ3-CG 4.38Å; W317-F355 HydrophobicContact CE3-CD2 4.47Å; W317-F355 AromaticContact CE3-CE2 3.67Å; W317-F355 HydrophobicContact CE3-CE2 3.67Å; W317-F355 AromaticContact CE3-CZ 3.69Å; W317-F355 HydrophobicContact CE3-CZ 3.69Å; W317-F355 HydrophobicContact CZ3-CE1 4.26Å; W317-F355 HydrophobicContact CZ3-CE2 4.18Å; W317-F355 AromaticContact CZ3-CZ 3.71Å; W317-F355 HydrophobicContact CZ3-CZ 3.71Å; W317-L371 HydrophobicContact CE3-CD2 4.11Å
318	P	95.2	Very high	93.9	Very high	10 Å²	10	37 Å²	37	7%	0.065	20%	0.199	C	C	.	.			trans	-91.6	29.4	-170.9	38.8	-39	0	0	0	113	F341 L351 F355	P318-F341 VanDerWaalsContact O-CZ 3.28Å; P318-F341 WeakPolarHBondContact O-CZ 3.45Å; P318-L351 HydrophobicContact CB-CB 3.5Å; P318-L351 VanDerWaalsContact CB-CB 3.5Å; P318-L351 HydrophobicContact CB-CD1 4.26Å; P318-L351 HydrophobicContact CG-CB 4.19Å; P318-F355 HydrophobicContact CG-CB 3.79Å; P318-F355 HydrophobicContact CG-CG 4.28Å
319	F	93	Very high	93.6	Very high	2 Å²	2	38 Å²	38	1%	0.009	20%	0.203	C	C	.	.	S	Bend	trans	-124	152.6	-175.4	-49.2	-74.4	0	0	0	111.8	F67 L70 L74 W317 W321 F341 P352 F355	F67-F319 HydrophobicContact CE1-CD1 4.34Å; F67-F319 HydrophobicContact CZ-CD1 4.41Å; L70-F319 HydrophobicContact CD2-CE1 3.83Å; L70-F319 HydrophobicContact CD2-CZ 3.91Å; L74-F319 HydrophobicContact CD2-CE2 3.87Å; L74-F319 HydrophobicContact CD2-CZ 4.39Å; W317-F319 VanDerWaalsContact C-N 3.25Å; W317-F319 VanDerWaalsContact CD1-O 3.32Å; W317-F319 HydrophobicContact CD2-CB 4.44Å; W317-F319 AromaticContact CD2-CD2 3.67Å; W317-F319 HydrophobicContact CD2-CD2 3.67Å; W317-F319 AromaticContact CE2-CD2 3.58Å; W317-F319 AromaticContact CE3-CD2 3.73Å; W317-F319 HydrophobicContact CE3-CD2 3.73Å; W317-F319 HydrophobicContact CE3-CE2 4.16Å; W317-F319 HydrophobicContact CG-CD2 4.42Å; W317-F319 AromaticContact CH2-CD2 3.61Å; W317-F319 HydrophobicContact CH2-CD2 3.61Å; W317-F319 HydrophobicContact CH2-CE2 4.17Å; W317-F319 HydrophobicContact CH2-CG 4.46Å; W317-F319 HydrophobicContact CZ2-CB 3.82Å; W317-F319 AromaticContact CZ2-CD2 3.57Å; W317-F319 HydrophobicContact CZ2-CD2 3.57Å; W317-F319 HydrophobicContact CZ2-CG 4.09Å; W317-F319 AromaticContact CZ3-CD2 3.69Å; W317-F319 HydrophobicContact CZ3-CD2 3.69Å; W317-F319 AromaticContact CZ3-CE2 3.97Å; W317-F319 HydrophobicContact CZ3-CE2 3.97Å; W317-F319 PolarHBondContact NE1-O 3.41Å; W317-F319 PolarHBondContact O-N 3.37Å; F319-W321 VanDerWaalsContact C-N 3.27Å; F319-W321 HydrophobicContact CB-CD2 4Å; F319-W321 HydrophobicContact CB-CE3 4.06Å; F319-W321 HydrophobicContact CB-CH2 3.62Å; F319-W321 HydrophobicContact CB-CZ2 3.48Å; F319-W321 VanDerWaalsContact CB-CZ2 3.48Å; F319-W321 HydrophobicContact CB-CZ3 3.9Å; F319-W321 AromaticContact CD1-CH2 3.53Å; F319-W321 HydrophobicContact CD1-CH2 3.53Å; F319-W321 AromaticContact CD1-CZ2 3.71Å; F319-W321 HydrophobicContact CD1-CZ2 3.71Å; F319-W321 HydrophobicContact CD1-CZ3 4.39Å; F319-W321 HydrophobicContact CD2-CZ2 4.38Å; F319-W321 HydrophobicContact CE1-CH2 4.46Å; F319-W321 AromaticContact CG-CH2 3.82Å; F319-W321 HydrophobicContact CG-CH2 3.82Å; F319-W321 AromaticContact CG-CZ2 3.61Å; F319-W321 HydrophobicContact CG-CZ2 3.61Å; F319-W321 PolarHBondContact O-N 3.32Å; F319-F341 WeakPolarHBondContact O-CE2 3.21Å; F319-P352 HydrophobicContact CE1-CB 4.05Å; F319-P352 HydrophobicContact CE1-CG 4.15Å; F319-P352 HydrophobicContact CZ-CB 4.17Å; F319-F355 AromaticContact CE2-CD1 3.88Å; F319-F355 HydrophobicContact CE2-CD1 3.88Å; F319-F355 HydrophobicContact CE2-CE1 4.21Å; F319-F355 HydrophobicContact CE2-CG 4.15Å; F319-F355 HydrophobicContact CZ-CD1 4.33Å
320	G	91.7	Very high	93.3	Very high	14 Å²	14	37 Å²	37	14%	0.144	20%	0.201	C	C	.	.	S	Bend	trans	-86.9	16.9	-173.9	0	0	0	0	0	115.3	E328 L329	G320-E328 WeakPolarHBondContact O-CA 3.43Å; G320-L329 PolarHBondContact O-N 3.37Å
321	W	91.2	Very high	93.1	Very high	58 Å²	58	37.8 Å²	37.8	22%	0.22	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-139	149.7	178.3	60.5	88.4	0	0	0	110	F67 T71 W317 F319 K327	F67-W321 HydrophobicContact CD1-CH2 4.13Å; F67-W321 HydrophobicContact CD1-CZ3 4.47Å; F67-W321 AromaticContact CE1-CH2 3.72Å; F67-W321 HydrophobicContact CE1-CH2 3.72Å; F67-W321 AromaticContact CE1-CZ3 3.98Å; F67-W321 HydrophobicContact CE1-CZ3 3.98Å; T71-W321 HydrophobicContact CG2-CH2 3.43Å; T71-W321 VanDerWaalsContact CG2-CH2 3.43Å; T71-W321 HydrophobicContact CG2-CZ2 3.13Å; T71-W321 HydrophobicContact CG2-CZ3 4.27Å; W317-W321 VanDerWaalsContact CE2-O 3.26Å; W317-W321 AromaticContact CZ2-CD1 3.92Å; W317-W321 AromaticContact CZ2-NE1 3.54Å; W317-W321 WeakPolarHBondContact CZ2-O 3.27Å; W317-W321 PolarHBondContact NE1-O 2.92Å; F319-W321 VanDerWaalsContact C-N 3.27Å; F319-W321 HydrophobicContact CB-CD2 4Å; F319-W321 HydrophobicContact CB-CE3 4.06Å; F319-W321 HydrophobicContact CB-CH2 3.62Å; F319-W321 HydrophobicContact CB-CZ2 3.48Å; F319-W321 VanDerWaalsContact CB-CZ2 3.48Å; F319-W321 HydrophobicContact CB-CZ3 3.9Å; F319-W321 AromaticContact CD1-CH2 3.53Å; F319-W321 HydrophobicContact CD1-CH2 3.53Å; F319-W321 AromaticContact CD1-CZ2 3.71Å; F319-W321 HydrophobicContact CD1-CZ2 3.71Å; F319-W321 HydrophobicContact CD1-CZ3 4.39Å; F319-W321 HydrophobicContact CD2-CZ2 4.38Å; F319-W321 HydrophobicContact CE1-CH2 4.46Å; F319-W321 AromaticContact CG-CH2 3.82Å; F319-W321 HydrophobicContact CG-CH2 3.82Å; F319-W321 AromaticContact CG-CZ2 3.61Å; F319-W321 HydrophobicContact CG-CZ2 3.61Å; F319-W321 PolarHBondContact O-N 3.32Å; W321-K327 CarbonylContact C-O 3.55Å; W321-K327 WeakPolarHBondContact CA-O 3.37Å
322	D	89.6	Confident	93	Very high	14 Å²	14	39.7 Å²	39.7	8%	0.075	21%	0.212	C	C	.	.			trans	-74	131.8	176.7	-179.3	-85.1	0	0	0	110.7	N324 T325 G326 K327 L329	D322-N324 PolarHBondContact O-N 3.46Å; D322-N324 WeakPolarHBondContact OD1-CA 3.25Å; D322-N324 WeakPolarHBondContact OD1-CB 3.49Å; D322-N324 PolarHBondContact OD1-N 2.96Å; D322-T325 VanDerWaalsContact CB-OG1 3.3Å; D322-T325 WeakPolarHBondContact CB-OG1 3.46Å; D322-T325 VanDerWaalsContact CG-OG1 3.29Å; D322-T325 PolarHBondContact OD1-N 3.48Å; D322-T325 PolarHBondContact OD1-OG1 2.86Å; D322-G326 VanDerWaalsContact O-CA 3.25Å; D322-G326 WeakPolarHBondContact O-CA 3.26Å; D322-G326 PolarHBondContact O-N 2.99Å; D322-K327 PolarHBondContact N-O 2.83Å; D322-L329 HydrophobicContact CB-CD1 3.94Å; D322-L329 HydrophobicContact CB-CD2 4.27Å; D322-L329 HydrophobicContact CB-CG 3.98Å
323	P	86.9	Confident	92.9	Very high	14 Å²	14	39.3 Å²	39.3	9%	0.091	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-22.5	-176.1	23.7	-31.3	0	0	0	113.9	I78 V165 W317 L371	I78-P323 HydrophobicContact CD1-CB 4.44Å; V165-P323 HydrophobicContact CG2-CG 4.35Å; W317-P323 HydrophobicContact CD2-CG 4.44Å; W317-P323 HydrophobicContact CE3-CG 4.45Å; W317-P323 HydrophobicContact CH2-CB 3.66Å; W317-P323 HydrophobicContact CH2-CG 4.29Å; W317-P323 HydrophobicContact CZ2-CB 3.88Å; W317-P323 HydrophobicContact CZ2-CG 4.23Å; W317-P323 HydrophobicContact CZ3-CB 4.02Å; W317-P323 HydrophobicContact CZ3-CG 4.38Å; P323-L371 HydrophobicContact CG-CB 4.28Å
324	N	85.6	Confident	92.7	Very high	90 Å²	90	41.5 Å²	41.5	48%	0.481	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-35.8	-175.3	-51.2	-73.8	0	0	0	112.1	D322 L371	D322-N324 PolarHBondContact O-N 3.46Å; D322-N324 WeakPolarHBondContact OD1-CA 3.25Å; D322-N324 WeakPolarHBondContact OD1-CB 3.49Å; D322-N324 PolarHBondContact OD1-N 2.96Å; N324-L371 PolarHBondContact ND2-O 3.39Å
325	T	87.9	Confident	92.4	Very high	82 Å²	82	43.6 Å²	43.6	50%	0.503	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-14.1	-172.7	65.7	0	0	0	0	113.7	D322 K327	D322-T325 VanDerWaalsContact CB-OG1 3.3Å; D322-T325 WeakPolarHBondContact CB-OG1 3.46Å; D322-T325 VanDerWaalsContact CG-OG1 3.29Å; D322-T325 PolarHBondContact OD1-N 3.48Å; D322-T325 PolarHBondContact OD1-OG1 2.86Å; T325-K327 PolarHBondContact O-N 3.02Å; T325-K327 VanDerWaalsContact O-N 3.14Å; T325-K327 PolarHBondContact OG1-N 3.37Å
326	G	87.4	Confident	92	Very high	54 Å²	54	51.8 Å²	51.8	56%	0.557	26%	0.264	S	S	*	.			trans	68.5	1.7	-175.2	0	0	0	0	0	114.8	D322	D322-G326 VanDerWaalsContact O-CA 3.25Å; D322-G326 WeakPolarHBondContact O-CA 3.26Å; D322-G326 PolarHBondContact O-N 2.99Å
327	K	88.9	Confident	91.3	Very high	150 Å²	150	61.4 Å²	61.4	65%	0.652	31%	0.306	S	S	*	.			trans	-68.5	148.4	-179.9	-71.7	179	178.4	175.1	0	111.3	W321 D322 T325 L329	W321-K327 CarbonylContact C-O 3.55Å; W321-K327 WeakPolarHBondContact CA-O 3.37Å; D322-K327 PolarHBondContact N-O 2.83Å; T325-K327 PolarHBondContact O-N 3.02Å; T325-K327 VanDerWaalsContact O-N 3.14Å; T325-K327 PolarHBondContact OG1-N 3.37Å; K327-L329 PolarHBondContact O-N 3.22Å
328	E	91.1	Very high	90.4	Very high	165 Å²	165	64.7 Å²	64.7	77%	0.771	34%	0.341	S	S	*	.	B	Isolated β-bridge	trans	-58.7	137	176.1	-66.5	-171.6	165	0	0	111.8	G320	G320-E328 WeakPolarHBondContact O-CA 3.43Å
329	L	91.7	Very high	89.9	Confident	19 Å²	19	67.1 Å²	67.1	10%	0.099	36%	0.356	C	S	.	.			trans	-117.4	143.1	175.1	-72.4	-179.4	0	0	0	111	V165 G320 D322 K327	V165-L329 HydrophobicContact CB-CD1 3.95Å; V165-L329 HydrophobicContact CG2-CD1 4.2Å; G320-L329 PolarHBondContact O-N 3.37Å; D322-L329 HydrophobicContact CB-CD1 3.94Å; D322-L329 HydrophobicContact CB-CD2 4.27Å; D322-L329 HydrophobicContact CB-CG 3.98Å; K327-L329 PolarHBondContact O-N 3.22Å
330	P	93.6	Very high	89.4	Confident	26 Å²	26	75.1 Å²	75.1	17%	0.169	39%	0.391	C	S	.	.			trans	-67.1	164.7	166.1	30.7	-33.7	0	0	0	110.8	G164 H332 D335	G164-P330 WeakPolarHBondContact CA-O 3.42Å; P330-H332 WeakPolarHBondContact CG-O 3.38Å; P330-D335 HydrophobicContact CB-CB 3.89Å
331	Y	93.1	Very high	89.2	Confident	50 Å²	50	76.8 Å²	76.8	20%	0.196	39%	0.394	C	S	.	.	S	Bend	trans	-69.2	-42.2	176.3	-179.1	-110.1	0	0	0	111.1	S163 G164 D335 F341 T342 W345 L351	S163-Y331 WeakPolarHBondContact CA-O 3.34Å; G164-Y331 PolarHBondContact N-O 2.97Å; Y331-D335 PolarHBondContact N-OD2 2.97Å; Y331-F341 HydrophobicContact CD2-CD2 4.26Å; Y331-F341 HydrophobicContact CD2-CE1 4.4Å; Y331-F341 AromaticContact CD2-CE2 3.54Å; Y331-F341 HydrophobicContact CD2-CE2 3.54Å; Y331-F341 AromaticContact CD2-CZ 3.6Å; Y331-F341 HydrophobicContact CD2-CZ 3.6Å; Y331-F341 HydrophobicContact CE2-CE2 4.49Å; Y331-F341 HydrophobicContact CE2-CZ 4.25Å; Y331-F341 HydrophobicContact CG-CE2 4.31Å; Y331-T342 HydrophobicContact CD1-CG2 4.22Å; Y331-T342 HydrophobicContact CG-CG2 4.06Å; Y331-W345 AromaticContact CD2-CD1 3.83Å; Y331-W345 AromaticContact CD2-NE1 3.99Å; Y331-W345 AromaticContact CE2-CD1 3.22Å; Y331-W345 HydrophobicContact CE2-CG 4.03Å; Y331-W345 AromaticContact CE2-NE1 3.58Å; Y331-W345 AromaticContact CZ-CD1 3.68Å; Y331-L351 HydrophobicContact CE2-CD1 4.21Å; Y331-L351 WeakPolarHBondContact OH-CD1 3.48Å
332	H	96.5	Very high	88.9	Confident	39 Å²	39	76.6 Å²	76.6	18%	0.181	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-112.4	149.7	172.7	-51.4	118	0	0	0	113.7	N162 P330 Y334 D335	N162-H332 CarbonylContact O-C 3.4Å; N162-H332 WeakPolarHBondContact O-CA 3.39Å; P330-H332 WeakPolarHBondContact CG-O 3.38Å; H332-Y334 HydrophobicContact CB-CD1 4.13Å; H332-Y334 HydrophobicContact CB-CD2 3.79Å; H332-Y334 HydrophobicContact CB-CE1 3.9Å; H332-Y334 HydrophobicContact CB-CE2 3.49Å; H332-Y334 VanDerWaalsContact CB-CE2 3.49Å; H332-Y334 HydrophobicContact CB-CG 4.1Å; H332-Y334 AromaticContact CD2-CZ 3.7Å; H332-Y334 PolarHBondContact CD2-OH 3.2Å; H332-Y334 AromaticContact CG-CE2 3.52Å; H332-Y334 AromaticContact CG-CZ 3.46Å; H332-Y334 VanDerWaalsContact CG-CZ 3.46Å; H332-Y334 AromaticContact ND1-CE2 3.56Å; H332-Y334 AromaticContact ND1-CZ 3.86Å; H332-Y334 PolarHBondContact NE2-OH 3.33Å; H332-Y334 PolarHBondContact O-N 3.41Å; H332-D335 IonicContact CG-OD1 2.69Å; H332-D335 IonicContact CG-OD2 3.67Å; H332-D335 PolarHBondContact N-OD2 3.04Å; H332-D335 IonicContact ND1-OD1 3.61Å; H332-D335 PolarHBondContact ND1-OD1 3.41Å; H332-D335 IonicContact ND1-OD2 2.84Å; H332-D335 WeakPolarHBondContact O-CB 3.4Å; H332-D335 PolarHBondContact O-N 3.13Å; H332-D335 VanDerWaalsContact O-N 3.12Å
333	Y	97.3	Very high	88.5	Confident	8 Å²	8	78.7 Å²	78.7	3%	0.031	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-20.4	173.7	70.3	-103.3	0	0	0	113.5	N162 L166 A187 P188 F192 V196	N162-Y333 HydrophobicContact CB-CE1 4.42Å; N162-Y333 WeakPolarHBondContact O-CD1 3.26Å; N162-Y333 PolarHBondContact O-N 3.15Å; L166-Y333 HydrophobicContact CD1-CD1 4.02Å; L166-Y333 HydrophobicContact CD1-CE1 4.43Å; A187-Y333 HydrophobicContact CB-CE1 4.44Å; A187-Y333 VanDerWaalsContact CB-OH 3.28Å; A187-Y333 WeakPolarHBondContact CB-OH 3.39Å; P188-Y333 VanDerWaalsContact O-CE2 3.3Å; P188-Y333 WeakPolarHBondContact O-CE2 3.43Å; P188-Y333 PolarHBondContact O-OH 3.48Å; F192-Y333 HydrophobicContact CB-CD2 4.02Å; F192-Y333 HydrophobicContact CB-CE2 3.83Å; F192-Y333 AromaticContact CD1-CD2 3.95Å; F192-Y333 HydrophobicContact CD1-CD2 3.95Å; F192-Y333 HydrophobicContact CD1-CE2 4.39Å; F192-Y333 HydrophobicContact CD2-CD2 4.12Å; F192-Y333 AromaticContact CD2-CE2 3.77Å; F192-Y333 HydrophobicContact CD2-CE2 3.77Å; F192-Y333 HydrophobicContact CE1-CD2 4.48Å; F192-Y333 WeakPolarHBondContact CE1-O 3.34Å; F192-Y333 HydrophobicContact CE2-CE2 4.46Å; F192-Y333 AromaticContact CG-CD2 3.76Å; F192-Y333 HydrophobicContact CG-CD2 3.76Å; F192-Y333 AromaticContact CG-CE2 3.74Å; F192-Y333 HydrophobicContact CG-CE2 3.74Å; V196-Y333 HydrophobicContact CG1-CD1 4.16Å; V196-Y333 HydrophobicContact CG1-CD2 4.04Å; V196-Y333 HydrophobicContact CG1-CE1 4.09Å; V196-Y333 HydrophobicContact CG1-CE2 3.97Å; V196-Y333 HydrophobicContact CG1-CG 4.14Å; V196-Y333 HydrophobicContact CG2-CE2 4.09Å
334	Y	95.4	Very high	88.1	Confident	46 Å²	46	85.4 Å²	85.4	18%	0.18	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	5.3	178.7	52.5	-104.5	0	0	0	113.7	N162 A187 P188 F192 H332	N162-Y334 HydrophobicContact CB-CE1 3.9Å; N162-Y334 PolarHBondContact ND2-OH 3.4Å; A187-Y334 HydrophobicContact CB-CD1 4.32Å; A187-Y334 HydrophobicContact CB-CE1 3.79Å; P188-Y334 HydrophobicContact CG-CD1 3.9Å; P188-Y334 HydrophobicContact CG-CG 3.78Å; F192-Y334 VanDerWaalsContact CZ-CA 3.47Å; H332-Y334 HydrophobicContact CB-CD1 4.13Å; H332-Y334 HydrophobicContact CB-CD2 3.79Å; H332-Y334 HydrophobicContact CB-CE1 3.9Å; H332-Y334 HydrophobicContact CB-CE2 3.49Å; H332-Y334 VanDerWaalsContact CB-CE2 3.49Å; H332-Y334 HydrophobicContact CB-CG 4.1Å; H332-Y334 AromaticContact CD2-CZ 3.7Å; H332-Y334 PolarHBondContact CD2-OH 3.2Å; H332-Y334 AromaticContact CG-CE2 3.52Å; H332-Y334 AromaticContact CG-CZ 3.46Å; H332-Y334 VanDerWaalsContact CG-CZ 3.46Å; H332-Y334 AromaticContact ND1-CE2 3.56Å; H332-Y334 AromaticContact ND1-CZ 3.86Å; H332-Y334 PolarHBondContact NE2-OH 3.33Å; H332-Y334 PolarHBondContact O-N 3.41Å
335	D	92.5	Very high	87.6	Confident	45 Å²	45	82 Å²	82	24%	0.241	42%	0.421	C	S	.	.	S	Bend	trans	-68.1	150.4	169.4	-68.2	-25.1	0	0	0	109.6	P330 Y331 H332 T339	P330-D335 HydrophobicContact CB-CB 3.89Å; Y331-D335 PolarHBondContact N-OD2 2.97Å; H332-D335 IonicContact CG-OD1 2.69Å; H332-D335 IonicContact CG-OD2 3.67Å; H332-D335 PolarHBondContact N-OD2 3.04Å; H332-D335 IonicContact ND1-OD1 3.61Å; H332-D335 PolarHBondContact ND1-OD1 3.41Å; H332-D335 IonicContact ND1-OD2 2.84Å; H332-D335 WeakPolarHBondContact O-CB 3.4Å; H332-D335 PolarHBondContact O-N 3.13Å; H332-D335 VanDerWaalsContact O-N 3.12Å; D335-T339 HydrophobicContact CB-CG2 4.14Å
336	K	88.6	Confident	87.1	Confident	178 Å²	178	82.3 Å²	82.3	77%	0.774	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-60.8	143.3	178.3	-67.2	-176.4	179.9	-178.2	0	110.1	G338 T339	K336-G338 PolarHBondContact O-N 3.45Å; K336-T339 PolarHBondContact N-OG1 3.47Å; K336-T339 WeakPolarHBondContact O-CB 3.47Å; K336-T339 PolarHBondContact O-N 3.27Å; K336-T339 PolarHBondContact O-OG1 3Å
337	K	83.3	Confident	86.6	Confident	221 Å²	221	86.9 Å²	86.9	96%	0.961	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	131.1	176.4	-171.1	178	-179.5	-179	0	110.5
338	G	77.8	Confident	86.3	Confident	74 Å²	74	81.8 Å²	81.8	76%	0.763	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	1	-175.8	0	0	0	0	0	114.9	K336 K340	K336-G338 PolarHBondContact O-N 3.45Å; G338-K340 PolarHBondContact O-N 3.03Å
339	T	84.3	Confident	86.2	Confident	61 Å²	61	75.5 Å²	75.5	37%	0.374	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-65.2	122.9	171.2	-58.6	0	0	0	0	109.4	D335 K336	D335-T339 HydrophobicContact CB-CG2 4.14Å; K336-T339 PolarHBondContact N-OG1 3.47Å; K336-T339 WeakPolarHBondContact O-CB 3.47Å; K336-T339 PolarHBondContact O-N 3.27Å; K336-T339 PolarHBondContact O-OG1 3Å
340	K	83.8	Confident	86.2	Confident	170 Å²	170	78.9 Å²	78.9	74%	0.739	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-68.4	141.6	176.2	-68.1	-167.1	175.3	-170.2	0	110.8	G338 T342	G338-K340 PolarHBondContact O-N 3.03Å; K340-T342 PolarHBondContact O-N 3.47Å
341	F	86.1	Confident	86.2	Confident	49 Å²	49	78.5 Å²	78.5	22%	0.215	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-55.3	136.7	174.1	-169.7	-92.4	0	0	0	111.3	P318 F319 Y331 T343 W345	P318-F341 VanDerWaalsContact O-CZ 3.28Å; P318-F341 WeakPolarHBondContact O-CZ 3.45Å; F319-F341 WeakPolarHBondContact O-CE2 3.21Å; Y331-F341 HydrophobicContact CD2-CD2 4.26Å; Y331-F341 HydrophobicContact CD2-CE1 4.4Å; Y331-F341 AromaticContact CD2-CE2 3.54Å; Y331-F341 HydrophobicContact CD2-CE2 3.54Å; Y331-F341 AromaticContact CD2-CZ 3.6Å; Y331-F341 HydrophobicContact CD2-CZ 3.6Å; Y331-F341 HydrophobicContact CE2-CE2 4.49Å; Y331-F341 HydrophobicContact CE2-CZ 4.25Å; Y331-F341 HydrophobicContact CG-CE2 4.31Å; F341-T343 HydrophobicContact CD1-CG2 4.3Å; F341-T343 HydrophobicContact CE1-CG2 4.26Å; F341-W345 AromaticContact CE1-NE1 3.69Å; F341-W345 AromaticContact CZ-NE1 3.78Å
342	T	84.9	Confident	86.2	Confident	54 Å²	54	77.3 Å²	77.3	33%	0.331	39%	0.387	S	S	.	.			trans	-108.6	139.3	179.3	-169.3	0	0	0	0	111.1	Y331 K340 W345	Y331-T342 HydrophobicContact CD1-CG2 4.22Å; Y331-T342 HydrophobicContact CG-CG2 4.06Å; K340-T342 PolarHBondContact O-N 3.47Å; T342-W345 PolarHBondContact O-NE1 3.47Å; T342-W345 VanDerWaalsContact O-NE1 3.09Å
343	T	82.3	Confident	86.1	Confident	57 Å²	57	77.5 Å²	77.5	35%	0.35	40%	0.395	S	S	.	.			trans	-103	7	177.2	55.8	0	0	0	0	113.4	F341 W345 Q346	F341-T343 HydrophobicContact CD1-CG2 4.3Å; F341-T343 HydrophobicContact CE1-CG2 4.26Å; T343-W345 PolarHBondContact O-N 2.96Å; T343-Q346 VanDerWaalsContact O-CB 3.23Å; T343-Q346 WeakPolarHBondContact O-CB 3.49Å; T343-Q346 VanDerWaalsContact O-CG 3.25Å; T343-Q346 WeakPolarHBondContact O-CG 3.49Å; T343-Q346 PolarHBondContact O-N 2.9Å
344	K	78.7	Confident	86.1	Confident	155 Å²	155	77.3 Å²	77.3	67%	0.674	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-56.1	-25.8	-178.9	-72.1	-173.9	177	-173.2	0	113.9	Q346 E347	K344-Q346 PolarHBondContact O-N 2.89Å; K344-E347 PolarHBondContact O-N 3.3Å
345	W	74.9	Confident	86.1	Confident	20 Å²	20	75.4 Å²	75.4	8%	0.076	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-59.6	-24.4	175.4	56.8	-101.9	0	0	0	113.3	Y331 F341 T342 T343 E347 S348 H349 L351 P352	Y331-W345 AromaticContact CD2-CD1 3.83Å; Y331-W345 AromaticContact CD2-NE1 3.99Å; Y331-W345 AromaticContact CE2-CD1 3.22Å; Y331-W345 HydrophobicContact CE2-CG 4.03Å; Y331-W345 AromaticContact CE2-NE1 3.58Å; Y331-W345 AromaticContact CZ-CD1 3.68Å; F341-W345 AromaticContact CE1-NE1 3.69Å; F341-W345 AromaticContact CZ-NE1 3.78Å; T342-W345 PolarHBondContact O-NE1 3.47Å; T342-W345 VanDerWaalsContact O-NE1 3.09Å; T343-W345 PolarHBondContact O-N 2.96Å; W345-E347 PolarHBondContact O-N 3.31Å; W345-S348 PolarHBondContact O-N 2.99Å; W345-S348 VanDerWaalsContact O-N 3.14Å; W345-H349 WeakPolarHBondContact O-CB 3.36Å; W345-H349 PolarHBondContact O-N 3.47Å; W345-L351 HydrophobicContact CB-CD1 3.99Å; W345-L351 HydrophobicContact CD2-CB 4.48Å; W345-L351 HydrophobicContact CD2-CD1 3.57Å; W345-L351 HydrophobicContact CD2-CG 4.05Å; W345-L351 HydrophobicContact CE3-CB 3.96Å; W345-L351 HydrophobicContact CE3-CD1 3.74Å; W345-L351 HydrophobicContact CE3-CG 3.64Å; W345-L351 HydrophobicContact CG-CD1 3.68Å; W345-L351 HydrophobicContact CH2-CB 4.44Å; W345-L351 HydrophobicContact CZ3-CB 3.95Å; W345-L351 HydrophobicContact CZ3-CD1 4.5Å; W345-L351 HydrophobicContact CZ3-CG 4.16Å; W345-P352 HydrophobicContact CH2-CG 3.53Å; W345-P352 HydrophobicContact CZ2-CG 4.47Å; W345-P352 HydrophobicContact CZ3-CG 4.1Å
346	Q	77.6	Confident	86.3	Confident	88 Å²	88	79.9 Å²	79.9	41%	0.411	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-61.8	-22.5	-179.8	-69.6	173.3	-13.4	0	0	113	T343 K344 S348	T343-Q346 VanDerWaalsContact O-CB 3.23Å; T343-Q346 WeakPolarHBondContact O-CB 3.49Å; T343-Q346 VanDerWaalsContact O-CG 3.25Å; T343-Q346 WeakPolarHBondContact O-CG 3.49Å; T343-Q346 PolarHBondContact O-N 2.9Å; K344-Q346 PolarHBondContact O-N 2.89Å; Q346-S348 PolarHBondContact O-N 2.93Å
347	E	76.5	Confident	86.7	Confident	149 Å²	149	72.9 Å²	72.9	70%	0.696	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-67.8	-24	179	-64.2	174.6	-167.1	0	0	112.3	K344 W345	K344-E347 PolarHBondContact O-N 3.3Å; W345-E347 PolarHBondContact O-N 3.31Å
348	S	81.6	Confident	87.4	Confident	44 Å²	44	62.4 Å²	62.4	31%	0.308	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.8	-26.5	-172.9	-61.4	0	0	0	0	114.5	R293 W345 Q346	R293-S348 PolarHBondContact N-O 3.31Å; R293-S348 VanDerWaalsContact NH2-CB 3.28Å; W345-S348 PolarHBondContact O-N 2.99Å; W345-S348 VanDerWaalsContact O-N 3.14Å; Q346-S348 PolarHBondContact O-N 2.93Å
349	H	88.9	Confident	88.2	Confident	32 Å²	32	60.1 Å²	60.1	15%	0.148	30%	0.299	C	S	.	.			trans	-123.5	157.9	-171	-58	-74.1	0	0	0	112.2	R293 W345 L351	R293-H349 PolarHBondContact NE-CE1 3.24Å; R293-H349 PolarHBondContact NE-NE2 2.92Å; R293-H349 PolarHBondContact NH2-NE2 3.48Å; R293-H349 PolarHBondContact O-ND1 2.95Å; W345-H349 WeakPolarHBondContact O-CB 3.36Å; W345-H349 PolarHBondContact O-N 3.47Å; H349-L351 HydrophobicContact CB-CD2 3.75Å; H349-L351 HydrophobicContact CB-CG 3.84Å
350	Q	92.3	Very high	88.7	Confident	90 Å²	90	62.5 Å²	62.5	42%	0.421	30%	0.304	S	S	.	.			trans	-113.2	57.5	169	-65.4	179.8	-15.2	0	0	110.3	P291 P352 A353 E354	P291-Q350 HydrophobicContact CB-CB 4.02Å; P291-Q350 HydrophobicContact CB-CG 3.87Å; Q350-P352 VanDerWaalsContact C-CD 3.49Å; Q350-P352 VanDerWaalsContact C-N 3.33Å; Q350-A353 HydrophobicContact CB-CB 3.97Å; Q350-A353 WeakPolarHBondContact O-CA 3.48Å; Q350-A353 WeakPolarHBondContact O-CB 3.42Å; Q350-A353 PolarHBondContact O-N 3.39Å; Q350-E354 PolarHBondContact O-N 3.5Å
351	L	93.6	Very high	89.4	Confident	19 Å²	19	54.7 Å²	54.7	10%	0.099	27%	0.27	C	S	.	.	H	α-helix	trans	-55.8	-37.3	-173.9	-54.9	-178.8	0	0	0	114.3	P318 Y331 W345 H349 A353 E354 F355	P318-L351 HydrophobicContact CB-CB 3.5Å; P318-L351 VanDerWaalsContact CB-CB 3.5Å; P318-L351 HydrophobicContact CB-CD1 4.26Å; P318-L351 HydrophobicContact CG-CB 4.19Å; Y331-L351 HydrophobicContact CE2-CD1 4.21Å; Y331-L351 WeakPolarHBondContact OH-CD1 3.48Å; W345-L351 HydrophobicContact CB-CD1 3.99Å; W345-L351 HydrophobicContact CD2-CB 4.48Å; W345-L351 HydrophobicContact CD2-CD1 3.57Å; W345-L351 HydrophobicContact CD2-CG 4.05Å; W345-L351 HydrophobicContact CE3-CB 3.96Å; W345-L351 HydrophobicContact CE3-CD1 3.74Å; W345-L351 HydrophobicContact CE3-CG 3.64Å; W345-L351 HydrophobicContact CG-CD1 3.68Å; W345-L351 HydrophobicContact CH2-CB 4.44Å; W345-L351 HydrophobicContact CZ3-CB 3.95Å; W345-L351 HydrophobicContact CZ3-CD1 4.5Å; W345-L351 HydrophobicContact CZ3-CG 4.16Å; H349-L351 HydrophobicContact CB-CD2 3.75Å; H349-L351 HydrophobicContact CB-CG 3.84Å; L351-A353 VanDerWaalsContact C-N 3.32Å; L351-A353 PolarHBondContact O-N 2.92Å; L351-E354 PolarHBondContact O-N 2.95Å; L351-F355 WeakPolarHBondContact O-CB 3.45Å; L351-F355 PolarHBondContact O-N 3.37Å
352	P	93.6	Very high	89.8	Confident	24 Å²	24	54.1 Å²	54.1	16%	0.156	27%	0.268	C	S	.	.	H	α-helix	trans	-64.2	-34.8	174.1	-25.8	36	0	0	0	113.4	L70 F319 W345 Q350 K356	L70-P352 HydrophobicContact CD2-CB 4.28Å; F319-P352 HydrophobicContact CE1-CB 4.05Å; F319-P352 HydrophobicContact CE1-CG 4.15Å; F319-P352 HydrophobicContact CZ-CB 4.17Å; W345-P352 HydrophobicContact CH2-CG 3.53Å; W345-P352 HydrophobicContact CZ2-CG 4.47Å; W345-P352 HydrophobicContact CZ3-CG 4.1Å; Q350-P352 VanDerWaalsContact C-CD 3.49Å; Q350-P352 VanDerWaalsContact C-N 3.33Å; P352-K356 WeakPolarHBondContact O-CB 3.26Å; P352-K356 PolarHBondContact O-N 3.34Å
353	A	93.9	Very high	90.3	Very high	43 Å²	43	54.7 Å²	54.7	36%	0.355	27%	0.271	S	S	.	.	H	α-helix	trans	-70.8	-41.6	175.9	0	0	0	0	0	111	L289 Q350 L351 K356 L357	L289-A353 HydrophobicContact CD1-CB 4.06Å; Q350-A353 HydrophobicContact CB-CB 3.97Å; Q350-A353 WeakPolarHBondContact O-CA 3.48Å; Q350-A353 WeakPolarHBondContact O-CB 3.42Å; Q350-A353 PolarHBondContact O-N 3.39Å; L351-A353 VanDerWaalsContact C-N 3.32Å; L351-A353 PolarHBondContact O-N 2.92Å; A353-K356 PolarHBondContact O-N 3.43Å; A353-L357 PolarHBondContact O-N 3.07Å; A353-L357 VanDerWaalsContact O-N 3.08Å
354	E	97.3	Very high	90.9	Very high	5 Å²	5	56.1 Å²	56.1	2%	0.023	27%	0.274	C	S	.	.	H	α-helix	trans	-58.3	-48.6	171.5	-64.6	-174.1	-164	0	0	110.9	L289 S295 I298 Q350 L351 K356 L357 L358	L289-E354 HydrophobicContact CD1-CG 3.92Å; L289-E354 HydrophobicContact CD2-CG 3.92Å; S295-E354 WeakPolarHBondContact CB-OE2 3.32Å; S295-E354 PolarHBondContact N-OE1 3.43Å; S295-E354 PolarHBondContact OG-OE2 3.02Å; I298-E354 HydrophobicContact CD1-CG 4.3Å; Q350-E354 PolarHBondContact O-N 3.5Å; L351-E354 PolarHBondContact O-N 2.95Å; E354-K356 PolarHBondContact O-N 3.43Å; E354-L357 PolarHBondContact O-N 3.37Å; E354-L358 WeakPolarHBondContact O-CG 3.41Å; E354-L358 PolarHBondContact O-N 3.23Å
355	F	96.6	Very high	91.7	Very high	5 Å²	5	48.9 Å²	48.9	2%	0.022	24%	0.243	C	C	.	.	H	α-helix	trans	-58.6	-46.5	177.3	176.5	-87.8	0	0	0	112	L74 F316 W317 P318 F319 L351 L357 L358 Y359 L369 L371	L74-F355 HydrophobicContact CD1-CE1 4.27Å; L74-F355 HydrophobicContact CD2-CD1 4.35Å; L74-F355 HydrophobicContact CD2-CE1 3.62Å; L74-F355 HydrophobicContact CD2-CZ 4.25Å; L74-F355 HydrophobicContact CG-CE1 4.23Å; F316-F355 WeakPolarHBondContact O-CD2 3.45Å; F316-F355 WeakPolarHBondContact O-CE2 3.46Å; W317-F355 HydrophobicContact CE3-CD2 4.47Å; W317-F355 AromaticContact CE3-CE2 3.67Å; W317-F355 HydrophobicContact CE3-CE2 3.67Å; W317-F355 AromaticContact CE3-CZ 3.69Å; W317-F355 HydrophobicContact CE3-CZ 3.69Å; W317-F355 HydrophobicContact CZ3-CE1 4.26Å; W317-F355 HydrophobicContact CZ3-CE2 4.18Å; W317-F355 AromaticContact CZ3-CZ 3.71Å; W317-F355 HydrophobicContact CZ3-CZ 3.71Å; P318-F355 HydrophobicContact CG-CB 3.79Å; P318-F355 HydrophobicContact CG-CG 4.28Å; F319-F355 AromaticContact CE2-CD1 3.88Å; F319-F355 HydrophobicContact CE2-CD1 3.88Å; F319-F355 HydrophobicContact CE2-CE1 4.21Å; F319-F355 HydrophobicContact CE2-CG 4.15Å; F319-F355 HydrophobicContact CZ-CD1 4.33Å; L351-F355 WeakPolarHBondContact O-CB 3.45Å; L351-F355 PolarHBondContact O-N 3.37Å; F355-L357 VanDerWaalsContact C-N 3.25Å; F355-L357 PolarHBondContact O-N 2.83Å; F355-L358 PolarHBondContact O-N 3.49Å; F355-Y359 HydrophobicContact CE1-CD2 4.43Å; F355-Y359 HydrophobicContact CE1-CG 4.44Å; F355-Y359 HydrophobicContact CZ-CD2 4.27Å; F355-Y359 WeakPolarHBondContact O-CB 3.44Å; F355-Y359 PolarHBondContact O-N 3.32Å; F355-L369 HydrophobicContact CD2-CD2 4.47Å; F355-L369 HydrophobicContact CE2-CD2 3.82Å; F355-L369 HydrophobicContact CZ-CD2 4.16Å; F355-L371 HydrophobicContact CE2-CD1 4.31Å; F355-L371 HydrophobicContact CE2-CD2 3.98Å; F355-L371 HydrophobicContact CZ-CD1 3.92Å; F355-L371 HydrophobicContact CZ-CD2 4.41Å
356	K	95.4	Very high	92.8	Very high	140 Å²	140	48.4 Å²	48.4	61%	0.609	24%	0.243	S	C	*	.	H	α-helix	trans	-57.9	-40.8	178.4	-176.3	177.7	179.5	178.3	0	111.5	P352 A353 E354 K360	P352-K356 WeakPolarHBondContact O-CB 3.26Å; P352-K356 PolarHBondContact O-N 3.34Å; A353-K356 PolarHBondContact O-N 3.43Å; E354-K356 PolarHBondContact O-N 3.43Å; K356-K360 PolarHBondContact O-N 2.96Å
357	L	96.6	Very high	93.7	Very high	30 Å²	30	44.2 Å²	44.2	16%	0.157	22%	0.223	C	C	.	.	H	α-helix	trans	-67.4	-45.9	176.4	-177.3	59.4	0	0	0	111.8	W284 K287 L289 A353 E354 F355 Y359 K360 M361	W284-L357 HydrophobicContact CE3-CD2 3.61Å; W284-L357 HydrophobicContact CZ3-CD2 3.51Å; W284-L357 HydrophobicContact CZ3-CG 4.36Å; K287-L357 HydrophobicContact CB-CD1 4.45Å; K287-L357 HydrophobicContact CB-CD2 4.01Å; L289-L357 HydrophobicContact CB-CD2 4.12Å; L289-L357 HydrophobicContact CD2-CD2 4.02Å; A353-L357 PolarHBondContact O-N 3.07Å; A353-L357 VanDerWaalsContact O-N 3.08Å; E354-L357 PolarHBondContact O-N 3.37Å; F355-L357 VanDerWaalsContact C-N 3.25Å; F355-L357 PolarHBondContact O-N 2.83Å; L357-Y359 VanDerWaalsContact C-N 3.3Å; L357-Y359 PolarHBondContact O-N 2.64Å; L357-K360 WeakPolarHBondContact O-CB 3.37Å; L357-K360 PolarHBondContact O-N 3.3Å; L357-M361 HydrophobicContact CG-SD 4.21Å; L357-M361 VanDerWaalsContact O-CG 3.28Å; L357-M361 WeakPolarHBondContact O-CG 3.49Å; L357-M361 PolarHBondContact O-N 2.83Å
358	L	97.6	Very high	94.7	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-62.1	-38.4	176.2	-66.9	174.6	0	0	0	112	L313 F316 E354 F355 M361 H362	L313-L358 HydrophobicContact CD1-CB 4.48Å; L313-L358 HydrophobicContact CD1-CD1 4.09Å; L313-L358 HydrophobicContact CD1-CD2 3.87Å; L313-L358 HydrophobicContact CD1-CG 4.37Å; F316-L358 HydrophobicContact CD1-CD1 3.45Å; F316-L358 VanDerWaalsContact CD1-CD1 3.45Å; F316-L358 HydrophobicContact CE1-CD1 3.94Å; F316-L358 HydrophobicContact CG-CD1 4.29Å; E354-L358 WeakPolarHBondContact O-CG 3.41Å; E354-L358 PolarHBondContact O-N 3.23Å; F355-L358 PolarHBondContact O-N 3.49Å; L358-M361 HydrophobicContact CD2-SD 4.22Å; L358-M361 WeakPolarHBondContact O-CB 3.44Å; L358-M361 PolarHBondContact O-N 2.99Å; L358-H362 PolarHBondContact O-N 3.05Å
359	Y	95.8	Very high	95.5	Very high	27 Å²	27	38 Å²	38	11%	0.106	19%	0.188	C	C	.	.	H	α-helix	trans	-65.3	-41.9	174.9	-174.1	-89.3	0	0	0	111.5	I77 I78 F355 L357 M361 H362 T363 L369 L371	I77-Y359 HydrophobicContact CG2-CD1 4.3Å; I77-Y359 HydrophobicContact CG2-CE1 3.28Å; I77-Y359 WeakPolarHBondContact CG2-OH 3.33Å; I77-Y359 PolarHBondContact O-OH 3.09Å; I78-Y359 HydrophobicContact CG1-CE2 3.86Å; F355-Y359 HydrophobicContact CE1-CD2 4.43Å; F355-Y359 HydrophobicContact CE1-CG 4.44Å; F355-Y359 HydrophobicContact CZ-CD2 4.27Å; F355-Y359 WeakPolarHBondContact O-CB 3.44Å; F355-Y359 PolarHBondContact O-N 3.32Å; L357-Y359 VanDerWaalsContact C-N 3.3Å; L357-Y359 PolarHBondContact O-N 2.64Å; Y359-M361 VanDerWaalsContact C-N 3.35Å; Y359-M361 PolarHBondContact O-N 3.4Å; Y359-H362 WeakPolarHBondContact O-CA 3.45Å; Y359-H362 VanDerWaalsContact O-CB 3.27Å; Y359-H362 WeakPolarHBondContact O-CB 3.44Å; Y359-H362 PolarHBondContact O-N 3.5Å; Y359-H362 VanDerWaalsContact O-N 3.12Å; Y359-T363 HydrophobicContact CD1-CG2 4.14Å; Y359-T363 HydrophobicContact CE1-CG2 3.61Å; Y359-T363 WeakPolarHBondContact O-CG2 3.47Å; Y359-T363 PolarHBondContact O-N 3.44Å; Y359-L369 HydrophobicContact CD2-CD2 4.14Å; Y359-L371 HydrophobicContact CD2-CD1 4.43Å
360	K	95.2	Very high	95.8	Very high	111 Å²	111	37.2 Å²	37.2	48%	0.483	19%	0.186	S	C	.	.	H	α-helix	trans	-57.9	-47.9	171.6	178	178.8	170.8	179.8	0	111.3	K356 L357 H362 T363 E364	K356-K360 PolarHBondContact O-N 2.96Å; L357-K360 WeakPolarHBondContact O-CB 3.37Å; L357-K360 PolarHBondContact O-N 3.3Å; K360-H362 PolarHBondContact O-N 3.01Å; K360-T363 PolarHBondContact O-N 3.47Å; K360-T363 VanDerWaalsContact O-N 3.07Å; K360-T363 PolarHBondContact O-OG1 3Å; K360-E364 WeakPolarHBondContact CE-OE1 3.5Å; K360-E364 IonicContact NZ-OE1 3.94Å; K360-E364 WeakPolarHBondContact O-CG 3.28Å; K360-E364 PolarHBondContact O-N 2.93Å
361	M	97	Very high	95.9	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.025	17%	0.171	C	C	.	.	H	α-helix	trans	-60.2	-32.4	176.3	-66.5	168	63.9	0	0	112.3	W284 Y301 L357 L358 Y359 G365 L366 I367	W284-M361 HydrophobicContact CH2-SD 4.41Å; W284-M361 HydrophobicContact CZ3-SD 4.38Å; Y301-M361 HydrophobicContact CE1-CE 3.58Å; Y301-M361 HydrophobicContact CE2-CE 4.18Å; Y301-M361 WeakPolarHBondContact OH-CE 3.4Å; L357-M361 HydrophobicContact CG-SD 4.21Å; L357-M361 VanDerWaalsContact O-CG 3.28Å; L357-M361 WeakPolarHBondContact O-CG 3.49Å; L357-M361 PolarHBondContact O-N 2.83Å; L358-M361 HydrophobicContact CD2-SD 4.22Å; L358-M361 WeakPolarHBondContact O-CB 3.44Å; L358-M361 PolarHBondContact O-N 2.99Å; Y359-M361 VanDerWaalsContact C-N 3.35Å; Y359-M361 PolarHBondContact O-N 3.4Å; M361-G365 PolarHBondContact O-N 3.34Å; M361-L366 HydrophobicContact CB-CB 4.18Å; M361-L366 HydrophobicContact CE-CD2 4.21Å; M361-L366 HydrophobicContact CG-CD2 4.33Å; M361-L366 WeakPolarHBondContact O-CB 3.3Å; M361-L366 PolarHBondContact O-N 3.15Å; M361-I367 HydrophobicContact CB-CG1 3.93Å; M361-I367 HydrophobicContact CE-CG2 4.47Å
362	H	96	Very high	95.7	Very high	37 Å²	37	36.1 Å²	36.1	17%	0.171	19%	0.188	C	C	.	.	H	α-helix	trans	-63.9	-48.5	172	171.9	68.4	0	0	0	112.5	W85 L358 Y359 K360 E364 G365 I367 L369	W85-H362 AromaticContact CD1-CE1 3.15Å; W85-H362 AromaticContact CD1-ND1 3.19Å; W85-H362 AromaticContact CG-CE1 3.6Å; W85-H362 AromaticContact CG-ND1 3.98Å; W85-H362 AromaticContact NE1-CE1 3.93Å; W85-H362 AromaticContact NE1-ND1 3.53Å; W85-H362 PolarHBondContact NE1-O 2.95Å; L358-H362 PolarHBondContact O-N 3.05Å; Y359-H362 WeakPolarHBondContact O-CA 3.45Å; Y359-H362 VanDerWaalsContact O-CB 3.27Å; Y359-H362 WeakPolarHBondContact O-CB 3.44Å; Y359-H362 PolarHBondContact O-N 3.5Å; Y359-H362 VanDerWaalsContact O-N 3.12Å; K360-H362 PolarHBondContact O-N 3.01Å; H362-E364 PolarHBondContact O-N 3.04Å; H362-G365 PolarHBondContact O-N 3.47Å; H362-I367 VanDerWaalsContact CA-O 3.27Å; H362-I367 WeakPolarHBondContact CA-O 3.27Å; H362-I367 HydrophobicContact CB-CD1 3.9Å; H362-I367 PolarHBondContact ND1-O 3.03Å; H362-L369 HydrophobicContact CB-CB 3.83Å; H362-L369 PolarHBondContact ND1-N 2.92Å; H362-L369 VanDerWaalsContact ND1-N 3.1Å
363	T	94.2	Very high	95.6	Very high	66 Å²	66	40.2 Å²	40.2	41%	0.405	21%	0.205	S	C	.	.	H	α-helix	trans	-64.7	-28.3	178.7	60.4	0	0	0	0	113.2	N81 Y359 K360 G365	N81-T363 WeakPolarHBondContact ND2-CG2 3.28Å; Y359-T363 HydrophobicContact CD1-CG2 4.14Å; Y359-T363 HydrophobicContact CE1-CG2 3.61Å; Y359-T363 WeakPolarHBondContact O-CG2 3.47Å; Y359-T363 PolarHBondContact O-N 3.44Å; K360-T363 PolarHBondContact O-N 3.47Å; K360-T363 VanDerWaalsContact O-N 3.07Å; K360-T363 PolarHBondContact O-OG1 3Å; T363-G365 VanDerWaalsContact C-N 3.28Å
364	E	94.8	Very high	95.5	Very high	87 Å²	87	39 Å²	39	41%	0.407	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-3.9	175.6	-69.1	171.2	171.1	0	0	113.1	K360 H362 L366	K360-E364 WeakPolarHBondContact CE-OE1 3.5Å; K360-E364 IonicContact NZ-OE1 3.94Å; K360-E364 WeakPolarHBondContact O-CG 3.28Å; K360-E364 PolarHBondContact O-N 2.93Å; H362-E364 PolarHBondContact O-N 3.04Å; E364-L366 HydrophobicContact CB-CD1 3.53Å
365	G	96.1	Very high	94.8	Very high	3 Å²	3	46.5 Å²	46.5	3%	0.031	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	12.1	177.9	0	0	0	0	0	115	R86 Y87 N88 M361 H362 T363	R86-G365 WeakPolarHBondContact O-CA 3.44Å; Y87-G365 VanDerWaalsContact CD2-O 3.32Å; Y87-G365 WeakPolarHBondContact CD2-O 3.24Å; N88-G365 PolarHBondContact N-O 3.46Å; M361-G365 PolarHBondContact O-N 3.34Å; H362-G365 PolarHBondContact O-N 3.47Å; T363-G365 VanDerWaalsContact C-N 3.28Å
366	L	97.6	Very high	94.7	Very high	11 Å²	11	48.6 Å²	48.6	6%	0.058	27%	0.268	C	S	.	.	S	Bend	trans	-73.2	-38.2	178.9	-80.9	70.3	0	0	0	111.8	A91 F92 H95 M361 E364	A91-L366 HydrophobicContact CB-CD1 3.8Å; A91-L366 HydrophobicContact CB-CG 4.36Å; F92-L366 VanDerWaalsContact CD2-O 3.28Å; F92-L366 WeakPolarHBondContact CD2-O 3.15Å; H95-L366 HydrophobicContact CB-CD2 3.82Å; M361-L366 HydrophobicContact CB-CB 4.18Å; M361-L366 HydrophobicContact CE-CD2 4.21Å; M361-L366 HydrophobicContact CG-CD2 4.33Å; M361-L366 WeakPolarHBondContact O-CB 3.3Å; M361-L366 PolarHBondContact O-N 3.15Å; E364-L366 HydrophobicContact CB-CD1 3.53Å
367	I	97.8	Very high	94.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.25	C	S	.	.	S	Bend	trans	-138.2	153.6	-179.6	59.1	93.2	0	0	0	110.7	W85 Y301 I311 L313 M361 H362 L369	W85-I367 PolarHBondContact NE1-O 3.09Å; Y301-I367 HydrophobicContact CD2-CG2 4.05Å; Y301-I367 HydrophobicContact CE2-CG2 3.3Å; I311-I367 HydrophobicContact CB-CG2 4.29Å; I311-I367 WeakPolarHBondContact O-CA 3.33Å; L313-I367 HydrophobicContact CD1-CD1 3.65Å; L313-I367 HydrophobicContact CD1-CG1 4.25Å; L313-I367 HydrophobicContact CG-CD1 4.04Å; M361-I367 HydrophobicContact CB-CG1 3.93Å; M361-I367 HydrophobicContact CE-CG2 4.47Å; H362-I367 VanDerWaalsContact CA-O 3.27Å; H362-I367 WeakPolarHBondContact CA-O 3.27Å; H362-I367 HydrophobicContact CB-CD1 3.9Å; H362-I367 PolarHBondContact ND1-O 3.03Å; I367-L369 HydrophobicContact CD1-CB 3.74Å
368	K	97.8	Very high	94.6	Very high	54 Å²	54	44.6 Å²	44.6	24%	0.235	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	116.4	167.5	-167.3	-170.6	176.7	-166.4	0	108.9	W85 E174 I311 H312 L313	W85-K368 HydrophobicContact CD2-CB 3.94Å; W85-K368 HydrophobicContact CD2-CG 3.84Å; W85-K368 HydrophobicContact CE3-CB 4.08Å; W85-K368 HydrophobicContact CE3-CD 4.06Å; W85-K368 HydrophobicContact CE3-CG 3.9Å; W85-K368 HydrophobicContact CG-CG 4.28Å; W85-K368 HydrophobicContact CH2-CB 3.82Å; W85-K368 HydrophobicContact CZ2-CB 3.68Å; W85-K368 HydrophobicContact CZ2-CG 4.49Å; W85-K368 HydrophobicContact CZ3-CB 4.03Å; W85-K368 HydrophobicContact CZ3-CD 4.21Å; W85-K368 HydrophobicContact CZ3-CG 4.24Å; E174-K368 IonicContact OE1-NZ 2.82Å; E174-K368 PolarHBondContact OE1-NZ 3.1Å; I311-K368 PolarHBondContact O-N 3.36Å; I311-K368 VanDerWaalsContact O-N 3.09Å; H312-K368 CarbonylContact C-O 3.55Å; H312-K368 WeakPolarHBondContact CA-O 3.44Å; H312-K368 HydrophobicContact CB-CB 4.3Å; H312-K368 VanDerWaalsContact CE1-CD 3.44Å; H312-K368 WeakPolarHBondContact CE1-CD 3.47Å; H312-K368 VanDerWaalsContact ND1-CD 3.29Å; H312-K368 WeakPolarHBondContact ND1-CD 3.47Å; L313-K368 PolarHBondContact N-O 3.41Å
369	L	97.6	Very high	94.4	Very high	8 Å²	8	47.1 Å²	47.1	4%	0.042	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	110.8	174.9	-179.3	60.9	0	0	0	109.2	L313 F316 F355 Y359 H362 I367 L371	L313-L369 HydrophobicContact CB-CD1 3.86Å; L313-L369 HydrophobicContact CD1-CD1 4.4Å; F316-L369 HydrophobicContact CB-CD1 3.72Å; F355-L369 HydrophobicContact CD2-CD2 4.47Å; F355-L369 HydrophobicContact CE2-CD2 3.82Å; F355-L369 HydrophobicContact CZ-CD2 4.16Å; Y359-L369 HydrophobicContact CD2-CD2 4.14Å; H362-L369 HydrophobicContact CB-CB 3.83Å; H362-L369 PolarHBondContact ND1-N 2.92Å; H362-L369 VanDerWaalsContact ND1-N 3.1Å; I367-L369 HydrophobicContact CD1-CB 3.74Å; L369-L371 HydrophobicContact CD1-CD2 4.33Å; L369-L371 HydrophobicContact CD2-CD1 4.34Å; L369-L371 HydrophobicContact CD2-CD2 4.4Å; L369-L371 HydrophobicContact CD2-CG 4.5Å; L369-L371 HydrophobicContact CG-CD1 4.45Å; L369-L371 HydrophobicContact CG-CD2 4.04Å; L369-L371 HydrophobicContact CG-CG 4.11Å
370	T	96.1	Very high	94.3	Very high	16 Å²	16	48.4 Å²	48.4	10%	0.098	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	117	-178.2	-58.2	0	0	0	0	110.7	L313 Y314	L313-T370 PolarHBondContact O-N 3.35Å; Y314-T370 HydrophobicContact CD1-CG2 3.92Å; Y314-T370 HydrophobicContact CE1-CG2 3.8Å; Y314-T370 WeakPolarHBondContact CE1-OG1 3.47Å
371	L	92.8	Very high	94.3	Very high	20 Å²	20	44.2 Å²	44.2	11%	0.105	27%	0.267	C	S	.	.			trans	-121.5	5.3	-179.3	-57.8	178.4	0	0	0	113.5	I78 W317 P323 N324 F355 Y359 L369	I78-L371 HydrophobicContact CD1-CD1 4.23Å; W317-L371 HydrophobicContact CE3-CD2 4.11Å; P323-L371 HydrophobicContact CG-CB 4.28Å; N324-L371 PolarHBondContact ND2-O 3.39Å; F355-L371 HydrophobicContact CE2-CD1 4.31Å; F355-L371 HydrophobicContact CE2-CD2 3.98Å; F355-L371 HydrophobicContact CZ-CD1 3.92Å; F355-L371 HydrophobicContact CZ-CD2 4.41Å; Y359-L371 HydrophobicContact CD2-CD1 4.43Å; L369-L371 HydrophobicContact CD1-CD2 4.33Å; L369-L371 HydrophobicContact CD2-CD1 4.34Å; L369-L371 HydrophobicContact CD2-CD2 4.4Å; L369-L371 HydrophobicContact CD2-CG 4.5Å; L369-L371 HydrophobicContact CG-CD1 4.45Å; L369-L371 HydrophobicContact CG-CD2 4.04Å; L369-L371 HydrophobicContact CG-CG 4.11Å
372	S	89.2	Confident	94.1	Very high	65 Å²	65	47 Å²	47	46%	0.455	28%	0.284	S	S	.	.	S	Bend	trans	-123.3	172.8	-179.8	64.9	0	0	0	0	110.8
373	H	92	Very high	93.9	Very high	111 Å²	111	47.8 Å²	47.8	51%	0.514	29%	0.293	S	S	.	.			trans	-62.3	147.8	169	-61.2	-177.2	0	0	0	110.4	S169	S169-H373 CarbonylContact O-C 3.37Å; S169-H373 VanDerWaalsContact O-CA 3.29Å; S169-H373 WeakPolarHBondContact O-CA 3.46Å
374	C	92.9	Very high	93.9	Very high	16 Å²	16	46.3 Å²	46.3	11%	0.108	28%	0.284	C	S	.	.			trans	-89.5	156.8	173.1	-64.4	0	0	0	0	110.8	S169 C171 E174	S169-C374 PolarHBondContact O-N 3.13Å; C171-C374 WeakPolarHBondContact CA-SG 3.48Å; C171-C374 HydrophobicContact CB-CB 3.86Å; C171-C374 WeakPolarHBondContact CB-SG 3.3Å; C171-C374 WeakPolarHBondContact SG-CB 3.24Å; C171-C374 CovalentContact SG-SG 2.04Å; C171-C374 PolarHBondContact SG-SG 3.44Å; E174-C374 HydrophobicContact CB-CB 4.47Å; E174-C374 PolarHBondContact OE2-SG 3.29Å
375	A	82	Confident	93.8	Very high	164 Å²	164	42.5 Å²	42.5	100%	1.355	27%	0.273	S	S	*	.			trans	-80.9	0	-175.5	0	0	0	0	0	113.3

Retrieved 375 of 375 residues in 1128.6 ms (Link to these results)

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