A0A087YR49_POEFO Loading...

Ribitol-5-phosphate transferase

AlphaFold DB , UniProt , Accession A0A087YR49, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 529 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	49.2	Very low	76.1	Confident	237 Å²	237	125.9 Å²	125.9	100%	1.167	66%	0.66	S	S	*	*				0	124.5	0	-77.7	162.5	70.6	0	0	108.3	I3	M1-I3 PolarHBondContact O-N 3.29Å
2	R	59.6	Low	77.4	Confident	250 Å²	250	118.8 Å²	118.8	94%	0.943	64%	0.639	S	S	*	*			trans	-77	114.9	175.7	-73.9	-178.9	177.3	177.2	-1	107.9	S4	R2-S4 PolarHBondContact O-N 3.05Å
3	I	67.1	Low	78.3	Confident	130 Å²	130	113.7 Å²	113.7	67%	0.667	62%	0.624	S	S	*	*			trans	-63.5	126	176	-62.2	172.3	0	0	0	107.5	M1 Q7	M1-I3 PolarHBondContact O-N 3.29Å; I3-Q7 HydrophobicContact CG2-CB 3.78Å
4	S	82.3	Confident	79.3	Confident	58 Å²	58	112.2 Å²	112.2	41%	0.406	61%	0.613	S	S	.	*			trans	-71.8	150.5	176.8	84	0	0	0	0	110.1	R2 C6 Q7 G8	R2-S4 PolarHBondContact O-N 3.05Å; S4-C6 PolarHBondContact O-N 3.28Å; S4-Q7 WeakPolarHBondContact O-CB 3.49Å; S4-Q7 PolarHBondContact O-N 2.71Å; S4-Q7 WeakPolarHBondContact OG-CG 3.37Å; S4-Q7 PolarHBondContact OG-N 2.87Å; S4-G8 PolarHBondContact O-N 3.04Å; S4-G8 VanDerWaalsContact O-N 3.09Å
5	L	77.4	Confident	80.3	Confident	153 Å²	153	111 Å²	111	80%	0.801	60%	0.604	S	S	*	*	H	α-helix	trans	-56.1	-29.6	-179.3	-145.6	135.2	0	0	0	112.1	L9	L5-L9 HydrophobicContact CD2-CD1 4.32Å; L5-L9 PolarHBondContact O-N 3.24Å; L5-L9 VanDerWaalsContact O-N 3.16Å
6	C	75.9	Confident	81.1	Confident	96 Å²	96	110.8 Å²	110.8	65%	0.649	60%	0.602	S	S	*	*	H	α-helix	trans	-71.7	-39.4	175.5	-137.5	0	0	0	0	112.8	S4 G8 L9 L10	S4-C6 PolarHBondContact O-N 3.28Å; C6-G8 VanDerWaalsContact C-N 3.32Å; C6-L9 PolarHBondContact O-N 2.67Å; C6-L10 PolarHBondContact O-N 3.21Å
7	Q	80.1	Confident	81.6	Confident	109 Å²	109	110.5 Å²	110.5	51%	0.509	60%	0.6	S	S	.	*	H	α-helix	trans	-66.9	-34.8	174.5	-72.5	173.6	-28.3	0	0	111.7	I3 S4 T11	I3-Q7 HydrophobicContact CG2-CB 3.78Å; S4-Q7 WeakPolarHBondContact O-CB 3.49Å; S4-Q7 PolarHBondContact O-N 2.71Å; S4-Q7 WeakPolarHBondContact OG-CG 3.37Å; S4-Q7 PolarHBondContact OG-N 2.87Å; Q7-T11 WeakPolarHBondContact O-CB 3.33Å; Q7-T11 PolarHBondContact O-N 3.45Å; Q7-T11 PolarHBondContact O-OG1 3.49Å
8	G	84.6	Confident	82.2	Confident	40 Å²	40	110.3 Å²	110.3	41%	0.412	60%	0.597	S	S	.	*	H	α-helix	trans	-63.4	-45.6	172.7	0	0	0	0	0	112.7	S4 C6 T11 G12	S4-G8 PolarHBondContact O-N 3.04Å; S4-G8 VanDerWaalsContact O-N 3.09Å; C6-G8 VanDerWaalsContact C-N 3.32Å; G8-T11 PolarHBondContact O-N 2.98Å; G8-G12 PolarHBondContact O-N 2.81Å
9	L	86.3	Confident	82.7	Confident	121 Å²	121	109.2 Å²	109.2	63%	0.634	59%	0.59	S	S	*	*	H	α-helix	trans	-63.9	-43.6	177.3	-77.7	167.3	0	0	0	112.6	L5 C6 T11 G12 A13	L5-L9 HydrophobicContact CD2-CD1 4.32Å; L5-L9 PolarHBondContact O-N 3.24Å; L5-L9 VanDerWaalsContact O-N 3.16Å; C6-L9 PolarHBondContact O-N 2.67Å; L9-T11 VanDerWaalsContact C-N 3.34Å; L9-T11 PolarHBondContact O-N 3.24Å; L9-G12 PolarHBondContact O-N 3.47Å; L9-A13 PolarHBondContact O-N 3.05Å
10	L	86.6	Confident	83.2	Confident	115 Å²	115	108.2 Å²	108.2	60%	0.602	58%	0.584	S	S	*	*	H	α-helix	trans	-63.2	-42.8	178.1	-168.8	72.4	0	0	0	111.4	C6 G12 A13 I14	C6-L10 PolarHBondContact O-N 3.21Å; L10-G12 VanDerWaalsContact C-N 3.34Å; L10-G12 PolarHBondContact O-N 3.38Å; L10-A13 PolarHBondContact O-N 3.36Å; L10-I14 HydrophobicContact CG-CD1 4.18Å; L10-I14 VanDerWaalsContact O-CG1 3.29Å; L10-I14 WeakPolarHBondContact O-CG1 3.23Å; L10-I14 PolarHBondContact O-N 3.19Å
11	T	88.3	Confident	83.5	Confident	76 Å²	76	108.3 Å²	108.3	47%	0.466	58%	0.584	S	S	.	*	H	α-helix	trans	-64.6	-40.6	177.4	-50.6	0	0	0	0	111.1	Q7 G8 L9 I14 I15	Q7-T11 WeakPolarHBondContact O-CB 3.33Å; Q7-T11 PolarHBondContact O-N 3.45Å; Q7-T11 PolarHBondContact O-OG1 3.49Å; G8-T11 PolarHBondContact O-N 2.98Å; L9-T11 VanDerWaalsContact C-N 3.34Å; L9-T11 PolarHBondContact O-N 3.24Å; T11-I14 PolarHBondContact O-N 2.91Å; T11-I15 HydrophobicContact CG2-CD1 4.09Å; T11-I15 VanDerWaalsContact O-CG1 3.3Å; T11-I15 WeakPolarHBondContact O-CG1 3.5Å; T11-I15 PolarHBondContact O-N 3.35Å
12	G	91.9	Very high	85.6	Confident	40 Å²	40	103.4 Å²	103.4	41%	0.412	55%	0.553	S	S	.	*	H	α-helix	trans	-61.8	-42.8	174.4	0	0	0	0	0	113.1	G8 L9 L10 I15 L16	G8-G12 PolarHBondContact O-N 2.81Å; L9-G12 PolarHBondContact O-N 3.47Å; L10-G12 VanDerWaalsContact C-N 3.34Å; L10-G12 PolarHBondContact O-N 3.38Å; G12-I15 PolarHBondContact O-N 2.68Å; G12-L16 WeakPolarHBondContact O-CB 3.45Å; G12-L16 PolarHBondContact O-N 3.3Å
13	A	89.1	Confident	87.1	Confident	53 Å²	53	98.5 Å²	98.5	44%	0.438	54%	0.536	S	S	.	.	H	α-helix	trans	-64.9	-39.3	177.2	0	0	0	0	0	112.3	L9 L10 L16 N17	L9-A13 PolarHBondContact O-N 3.05Å; L10-A13 PolarHBondContact O-N 3.36Å; A13-L16 PolarHBondContact O-N 2.98Å; A13-N17 PolarHBondContact O-N 3.44Å
14	I	91.8	Very high	88	Confident	93 Å²	93	95.9 Å²	95.9	48%	0.477	53%	0.526	S	S	.	.	H	α-helix	trans	-65.1	-45.7	176.2	-68.2	165.8	0	0	0	110.6	L10 T11 L16 N17 L18	L10-I14 HydrophobicContact CG-CD1 4.18Å; L10-I14 VanDerWaalsContact O-CG1 3.29Å; L10-I14 WeakPolarHBondContact O-CG1 3.23Å; L10-I14 PolarHBondContact O-N 3.19Å; T11-I14 PolarHBondContact O-N 2.91Å; I14-L16 VanDerWaalsContact C-N 3.32Å; I14-L16 PolarHBondContact O-N 2.92Å; I14-N17 PolarHBondContact O-N 2.93Å; I14-L18 HydrophobicContact CG2-CD1 4.01Å; I14-L18 HydrophobicContact CG2-CG 4.49Å; I14-L18 WeakPolarHBondContact O-CG 3.49Å; I14-L18 PolarHBondContact O-N 3.47Å
15	I	93.8	Very high	88.3	Confident	94 Å²	94	95.8 Å²	95.8	48%	0.482	53%	0.525	S	S	.	.	H	α-helix	trans	-61.6	-42.1	177.8	-68.8	168.4	0	0	0	110.9	T11 G12 L18 L19	T11-I15 HydrophobicContact CG2-CD1 4.09Å; T11-I15 VanDerWaalsContact O-CG1 3.3Å; T11-I15 WeakPolarHBondContact O-CG1 3.5Å; T11-I15 PolarHBondContact O-N 3.35Å; G12-I15 PolarHBondContact O-N 2.68Å; I15-L18 PolarHBondContact O-N 2.93Å; I15-L19 HydrophobicContact CG2-CD1 4.12Å; I15-L19 WeakPolarHBondContact O-CG 3.42Å; I15-L19 PolarHBondContact O-N 2.82Å
16	L	93.6	Very high	88.8	Confident	108 Å²	108	94.2 Å²	94.2	57%	0.565	51%	0.508	S	S	*	.	H	α-helix	trans	-62.9	-43.7	177.5	-174.2	66.2	0	0	0	111.8	G12 A13 I14 L18 L19 I20	G12-L16 WeakPolarHBondContact O-CB 3.45Å; G12-L16 PolarHBondContact O-N 3.3Å; A13-L16 PolarHBondContact O-N 2.98Å; I14-L16 VanDerWaalsContact C-N 3.32Å; I14-L16 PolarHBondContact O-N 2.92Å; L16-L18 VanDerWaalsContact C-N 3.35Å; L16-L18 PolarHBondContact O-N 3.27Å; L16-L19 PolarHBondContact O-N 3.47Å; L16-I20 HydrophobicContact CG-CD1 4.21Å; L16-I20 VanDerWaalsContact O-CG1 3.32Å; L16-I20 WeakPolarHBondContact O-CG1 3.39Å; L16-I20 PolarHBondContact O-N 3.4Å
17	N	89.2	Confident	89.2	Confident	105 Å²	105	92 Å²	92	56%	0.561	50%	0.497	S	S	*	.	H	α-helix	trans	-63.5	-40	176.9	-110.7	-28.1	0	0	0	112.3	A13 I14 I20 L21	A13-N17 PolarHBondContact O-N 3.44Å; I14-N17 PolarHBondContact O-N 2.93Å; N17-I20 PolarHBondContact O-N 3.34Å; N17-L21 WeakPolarHBondContact O-CG 3.4Å; N17-L21 PolarHBondContact O-N 2.92Å
18	L	92.3	Very high	89.1	Confident	107 Å²	107	92.5 Å²	92.5	56%	0.56	50%	0.499	S	S	*	.	H	α-helix	trans	-65.9	-37.7	176.1	-70.9	172.3	0	0	0	112.2	I14 I15 L16 L21 Y22	I14-L18 HydrophobicContact CG2-CD1 4.01Å; I14-L18 HydrophobicContact CG2-CG 4.49Å; I14-L18 WeakPolarHBondContact O-CG 3.49Å; I14-L18 PolarHBondContact O-N 3.47Å; I15-L18 PolarHBondContact O-N 2.93Å; L16-L18 VanDerWaalsContact C-N 3.35Å; L16-L18 PolarHBondContact O-N 3.27Å; L18-L21 PolarHBondContact O-N 3.32Å; L18-Y22 WeakPolarHBondContact O-CB 3.24Å; L18-Y22 PolarHBondContact O-N 3.37Å
19	L	92.9	Very high	88.9	Confident	89 Å²	89	96.4 Å²	96.4	47%	0.466	51%	0.507	S	S	.	.	H	α-helix	trans	-65.1	-42.5	173.9	-76.4	168.6	0	0	0	111.8	I15 L16 Y22 Y23	I15-L19 HydrophobicContact CG2-CD1 4.12Å; I15-L19 WeakPolarHBondContact O-CG 3.42Å; I15-L19 PolarHBondContact O-N 2.82Å; L16-L19 PolarHBondContact O-N 3.47Å; L19-Y22 PolarHBondContact O-N 2.93Å; L19-Y23 WeakPolarHBondContact O-CD2 3.19Å; L19-Y23 PolarHBondContact O-N 2.82Å
20	I	91.3	Very high	88.5	Confident	89 Å²	89	96.3 Å²	96.3	46%	0.456	50%	0.503	S	S	.	.	H	α-helix	trans	-60.5	-48.7	176	-68.2	165.9	0	0	0	110.2	L16 N17 Y22 Y23 V24	L16-I20 HydrophobicContact CG-CD1 4.21Å; L16-I20 VanDerWaalsContact O-CG1 3.32Å; L16-I20 WeakPolarHBondContact O-CG1 3.39Å; L16-I20 PolarHBondContact O-N 3.4Å; N17-I20 PolarHBondContact O-N 3.34Å; I20-Y22 VanDerWaalsContact C-N 3.32Å; I20-Y22 PolarHBondContact O-N 3.06Å; I20-Y23 PolarHBondContact O-N 3.12Å; I20-V24 HydrophobicContact CG2-CG2 4.4Å; I20-V24 WeakPolarHBondContact O-CG2 3.3Å; I20-V24 PolarHBondContact O-N 2.86Å
21	L	89.8	Confident	87.8	Confident	112 Å²	112	96.8 Å²	96.8	59%	0.586	50%	0.504	S	S	*	.	H	α-helix	trans	-60.2	-40.9	177.7	-74.3	169	0	0	0	112.3	N17 L18 V24 S25	N17-L21 WeakPolarHBondContact O-CG 3.4Å; N17-L21 PolarHBondContact O-N 2.92Å; L18-L21 PolarHBondContact O-N 3.32Å; L21-V24 PolarHBondContact O-N 3.13Å; L21-S25 WeakPolarHBondContact O-CB 3.19Å; L21-S25 PolarHBondContact O-N 3.16Å
22	Y	93.2	Very high	86.8	Confident	133 Å²	133	99.3 Å²	99.3	52%	0.522	51%	0.512	S	S	.	.	H	α-helix	trans	-61.5	-46	176.4	176.9	-102.6	0	0	0	112.1	L18 L19 I20 S25 R26	L18-Y22 WeakPolarHBondContact O-CB 3.24Å; L18-Y22 PolarHBondContact O-N 3.37Å; L19-Y22 PolarHBondContact O-N 2.93Å; I20-Y22 VanDerWaalsContact C-N 3.32Å; I20-Y22 PolarHBondContact O-N 3.06Å; Y22-S25 PolarHBondContact O-N 2.8Å; Y22-R26 WeakPolarHBondContact O-CB 3.26Å; Y22-R26 PolarHBondContact O-N 2.63Å
23	Y	90.9	Very high	85.9	Confident	148 Å²	148	103.7 Å²	103.7	58%	0.58	52%	0.521	S	S	*	.	H	α-helix	trans	-68.5	-38.4	179.1	-89.4	-82	0	0	0	112.8	L19 I20 R26 A27	L19-Y23 WeakPolarHBondContact O-CD2 3.19Å; L19-Y23 PolarHBondContact O-N 2.82Å; I20-Y23 PolarHBondContact O-N 3.12Å; Y23-R26 PolarHBondContact O-N 2.78Å; Y23-A27 WeakPolarHBondContact O-CB 3.37Å; Y23-A27 PolarHBondContact O-N 2.86Å
24	V	87.6	Confident	84.8	Confident	75 Å²	75	108.2 Å²	108.2	46%	0.455	53%	0.531	S	S	.	.	H	α-helix	trans	-63.8	-44.8	174.8	173.9	0	0	0	0	110.9	I20 L21 R26 A27 Q28	I20-V24 HydrophobicContact CG2-CG2 4.4Å; I20-V24 WeakPolarHBondContact O-CG2 3.3Å; I20-V24 PolarHBondContact O-N 2.86Å; L21-V24 PolarHBondContact O-N 3.13Å; V24-R26 VanDerWaalsContact C-N 3.33Å; V24-R26 PolarHBondContact O-N 3.08Å; V24-A27 PolarHBondContact O-N 3.02Å; V24-Q28 PolarHBondContact O-N 3.09Å
25	S	87.8	Confident	83.3	Confident	55 Å²	55	113.1 Å²	113.1	39%	0.385	54%	0.544	S	S	.	.	H	α-helix	trans	-59.9	-43.5	175.9	179.1	0	0	0	0	111.7	L21 Y22 Q28 Q29	L21-S25 WeakPolarHBondContact O-CB 3.19Å; L21-S25 PolarHBondContact O-N 3.16Å; Y22-S25 PolarHBondContact O-N 2.8Å; S25-Q28 PolarHBondContact O-N 3.15Å; S25-Q29 WeakPolarHBondContact O-CG 3.31Å; S25-Q29 PolarHBondContact O-N 3.23Å
26	R	87.8	Confident	81.6	Confident	121 Å²	121	116.5 Å²	116.5	46%	0.457	56%	0.555	S	S	.	*	H	α-helix	trans	-66.8	-38.6	179.4	-163.2	177.3	-178.3	-176.5	1.9	112.3	Y22 Y23 V24 Q29 Q30	Y22-R26 WeakPolarHBondContact O-CB 3.26Å; Y22-R26 PolarHBondContact O-N 2.63Å; Y23-R26 PolarHBondContact O-N 2.78Å; V24-R26 VanDerWaalsContact C-N 3.33Å; V24-R26 PolarHBondContact O-N 3.08Å; R26-Q29 PolarHBondContact O-N 3.25Å; R26-Q30 PolarHBondContact O-N 3.36Å; R26-Q30 VanDerWaalsContact O-N 3.08Å
27	A	83.8	Confident	79.8	Confident	50 Å²	50	118.5 Å²	118.5	41%	0.413	56%	0.562	S	S	.	*	H	α-helix	trans	-64.8	-39.1	174.8	0	0	0	0	0	112.1	Y23 V24 Q30 M31	Y23-A27 WeakPolarHBondContact O-CB 3.37Å; Y23-A27 PolarHBondContact O-N 2.86Å; V24-A27 PolarHBondContact O-N 3.02Å; A27-Q30 PolarHBondContact O-N 2.95Å; A27-M31 PolarHBondContact O-N 2.9Å; A27-M31 VanDerWaalsContact O-N 3.13Å
28	Q	77.9	Confident	78.1	Confident	119 Å²	119	120.1 Å²	120.1	56%	0.556	57%	0.57	S	S	*	*	H	α-helix	trans	-65.5	-40.6	174.6	-76.6	-176.3	-29	0	0	112.5	V24 S25 M31 M32	V24-Q28 PolarHBondContact O-N 3.09Å; S25-Q28 PolarHBondContact O-N 3.15Å; Q28-M31 PolarHBondContact O-N 3.48Å; Q28-M32 WeakPolarHBondContact O-CG 3.33Å; Q28-M32 PolarHBondContact O-N 3.24Å
29	Q	81.4	Confident	75.9	Confident	121 Å²	121	117.5 Å²	117.5	57%	0.565	57%	0.568	S	S	*	*	H	α-helix	trans	-63.3	-42.6	176.1	-75.9	-179	-20.1	0	0	112.1	S25 R26 M31 M32 E33	S25-Q29 WeakPolarHBondContact O-CG 3.31Å; S25-Q29 PolarHBondContact O-N 3.23Å; R26-Q29 PolarHBondContact O-N 3.25Å; Q29-M31 VanDerWaalsContact C-N 3.34Å; Q29-M31 PolarHBondContact O-N 3.04Å; Q29-M32 PolarHBondContact O-N 2.95Å; Q29-M32 VanDerWaalsContact O-N 3.15Å; Q29-E33 PolarHBondContact O-N 3.16Å
30	Q	78.4	Confident	73.6	Confident	120 Å²	120	123.8 Å²	123.8	56%	0.561	59%	0.586	S	S	*	*	H	α-helix	trans	-62.4	-38.3	175.6	-75.3	-176.6	-26.6	0	0	112.7	R26 A27 M32 K34	R26-Q30 PolarHBondContact O-N 3.36Å; R26-Q30 VanDerWaalsContact O-N 3.08Å; A27-Q30 PolarHBondContact O-N 2.95Å; Q30-M32 VanDerWaalsContact C-N 3.34Å; Q30-K34 WeakPolarHBondContact O-CB 3.4Å; Q30-K34 PolarHBondContact O-N 3.24Å; Q30-K34 VanDerWaalsContact O-N 3.09Å
31	M	70.7	Confident	71.2	Confident	124 Å²	124	122.9 Å²	122.9	61%	0.611	60%	0.598	S	S	*	*	H	α-helix	trans	-65.4	-36.7	173.9	-78	-161.1	-71.1	0	0	112.8	A27 Q28 Q29 R35	A27-M31 PolarHBondContact O-N 2.9Å; A27-M31 VanDerWaalsContact O-N 3.13Å; Q28-M31 PolarHBondContact O-N 3.48Å; Q29-M31 VanDerWaalsContact C-N 3.34Å; Q29-M31 PolarHBondContact O-N 3.04Å; M31-R35 PolarHBondContact O-N 3.27Å; M31-R35 VanDerWaalsContact O-N 3.14Å
32	M	68.5	Low	68.8	Low	129 Å²	129	122.6 Å²	122.6	64%	0.635	61%	0.606	S	S	*	*	H	α-helix	trans	-68.9	-40.1	177.7	-75	-77.1	-84.2	0	0	112.1	Q28 Q29 Q30 R35 K36	Q28-M32 WeakPolarHBondContact O-CG 3.33Å; Q28-M32 PolarHBondContact O-N 3.24Å; Q29-M32 PolarHBondContact O-N 2.95Å; Q29-M32 VanDerWaalsContact O-N 3.15Å; Q30-M32 VanDerWaalsContact C-N 3.34Å; M32-R35 PolarHBondContact O-N 3.49Å; M32-K36 PolarHBondContact O-N 3.31Å; M32-K36 VanDerWaalsContact O-N 3.14Å
33	E	72.2	Confident	66.2	Low	132 Å²	132	127.4 Å²	127.4	62%	0.617	62%	0.623	S	S	*	*	H	α-helix	trans	-65.1	-42.9	174.6	-73.2	-176.6	159.5	0	0	111.8	Q29 R35 K36 E37	Q29-E33 PolarHBondContact O-N 3.16Å; E33-R35 VanDerWaalsContact C-N 3.3Å; E33-R35 PolarHBondContact O-N 3.1Å; E33-K36 WeakPolarHBondContact O-CA 3.48Å; E33-K36 WeakPolarHBondContact O-CB 3.23Å; E33-K36 PolarHBondContact O-N 3.46Å; E33-E37 PolarHBondContact O-N 3.21Å
34	K	66.5	Low	63.5	Low	149 Å²	149	132.1 Å²	132.1	65%	0.648	64%	0.64	S	S	*	*	H	α-helix	trans	-61.3	-37.1	177.1	-141.7	176.1	-172.7	-179.8	0	112.4	Q30 K36 L38	Q30-K34 WeakPolarHBondContact O-CB 3.4Å; Q30-K34 PolarHBondContact O-N 3.24Å; Q30-K34 VanDerWaalsContact O-N 3.09Å; K34-K36 VanDerWaalsContact C-N 3.35Å; K34-L38 WeakPolarHBondContact O-CD1 3.46Å; K34-L38 PolarHBondContact O-N 3.07Å
35	R	59.1	Low	60.9	Low	195 Å²	195	133.6 Å²	133.6	74%	0.736	66%	0.659	S	S	*	*	H	α-helix	trans	-66.8	-33.9	172.6	-81	-177.2	173.9	179	-1	112.7	M31 M32 E33 G39	M31-R35 PolarHBondContact O-N 3.27Å; M31-R35 VanDerWaalsContact O-N 3.14Å; M32-R35 PolarHBondContact O-N 3.49Å; E33-R35 VanDerWaalsContact C-N 3.3Å; E33-R35 PolarHBondContact O-N 3.1Å; R35-G39 PolarHBondContact O-N 3.03Å; R35-G39 VanDerWaalsContact O-N 3.15Å
36	K	59.2	Low	58.2	Low	165 Å²	165	135.9 Å²	135.9	72%	0.717	68%	0.682	S	S	*	*	H	α-helix	trans	-73.1	-33.1	-179.9	-148.6	174.6	-174.4	178.5	0	112.2	M32 E33 K34	M32-K36 PolarHBondContact O-N 3.31Å; M32-K36 VanDerWaalsContact O-N 3.14Å; E33-K36 WeakPolarHBondContact O-CA 3.48Å; E33-K36 WeakPolarHBondContact O-CB 3.23Å; E33-K36 PolarHBondContact O-N 3.46Å; K34-K36 VanDerWaalsContact C-N 3.35Å
37	E	54.8	Low	55.4	Low	151 Å²	151	141.9 Å²	141.9	71%	0.706	70%	0.704	S	S	*	*	H	α-helix	trans	-70.7	-42.7	173	-72.3	-171.1	152.2	0	0	112.5	E33 G39 R40	E33-E37 PolarHBondContact O-N 3.21Å; E37-G39 VanDerWaalsContact C-N 3.28Å; E37-G39 PolarHBondContact O-N 3.46Å; E37-R40 PolarHBondContact O-N 3.42Å
38	L	54.2	Low	53	Low	139 Å²	139	145.4 Å²	145.4	73%	0.728	72%	0.723	S	S	*	*	H	α-helix	trans	-61.8	-33.6	174.4	-96.7	127.9	0	0	0	112.9	K34 R40	K34-L38 WeakPolarHBondContact O-CD1 3.46Å; K34-L38 PolarHBondContact O-N 3.07Å; L38-R40 VanDerWaalsContact C-N 3.34Å; L38-R40 PolarHBondContact O-N 3Å
39	G	45.4	Very low	50.7	Low	51 Å²	51	144.6 Å²	144.6	53%	0.526	74%	0.737	S	S	.	*	H	α-helix	trans	-72.4	-18.7	176.6	0	0	0	0	0	115.3	R35 E37	R35-G39 PolarHBondContact O-N 3.03Å; R35-G39 VanDerWaalsContact O-N 3.15Å; E37-G39 VanDerWaalsContact C-N 3.28Å; E37-G39 PolarHBondContact O-N 3.46Å
40	R	45.3	Very low	48.2	Very low	222 Å²	222	144.5 Å²	144.5	84%	0.838	75%	0.749	S	S	*	*	H	α-helix	trans	-85.8	-20.9	178.5	-92.3	179	164.8	176.5	-5.1	113.7	E37 L38 S42	E37-R40 PolarHBondContact O-N 3.42Å; L38-R40 VanDerWaalsContact C-N 3.34Å; L38-R40 PolarHBondContact O-N 3Å; R40-S42 VanDerWaalsContact C-N 3.35Å; R40-S42 PolarHBondContact O-N 2.85Å
41	G	40.7	Very low	45.9	Very low	70 Å²	70	146.4 Å²	146.4	72%	0.722	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	-14.4	-178.2	0	0	0	0	0	115.9
42	S	40	Very low	44	Very low	106 Å²	106	149 Å²	149	74%	0.741	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.2	1	-170.2	-160.9	0	0	0	0	115.1	R40 R44	R40-S42 VanDerWaalsContact C-N 3.35Å; R40-S42 PolarHBondContact O-N 2.85Å; S42-R44 PolarHBondContact O-N 3.13Å
43	R	37.3	Very low	42.1	Very low	233 Å²	233	146.6 Å²	146.6	88%	0.879	79%	0.787	S	S	*	*			trans	-92.6	17.7	-174.7	-80.4	-169.6	177.6	-172.5	-0.2	116.6
44	R	36	Very low	40	Very low	248 Å²	248	144.2 Å²	144.2	94%	0.936	80%	0.797	S	S	*	*			trans	-127.3	75.7	175.3	-85.5	-174.4	173	178.2	-1.7	112.6	S42	S42-R44 PolarHBondContact O-N 3.13Å
45	A	32.4	Very low	38.2	Very low	105 Å²	105	142.1 Å²	142.1	87%	0.868	81%	0.807	S	S	*	*			trans	-166.7	88.2	149.1	0	0	0	0	0	109.5
46	A	30.7	Very low	36.8	Very low	104 Å²	104	141.3 Å²	141.3	86%	0.86	82%	0.817	S	S	*	*			trans	-129.5	121.9	163.4	0	0	0	0	0	108.1
47	R	28.4	Very low	35.2	Very low	247 Å²	247	137.1 Å²	137.1	93%	0.932	82%	0.82	S	S	*	*			trans	-126.1	156.3	167	-97.7	-168.5	165.7	-170.2	-3.2	108.6
48	P	34.1	Very low	34.1	Very low	123 Å²	123	136.6 Å²	136.6	80%	0.799	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-98.3	157.6	-131.4	35.6	-34.6	0	0	0	115
49	A	28.6	Very low	32.8	Very low	103 Å²	103	137.9 Å²	137.9	85%	0.851	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-72.3	136.8	173.1	0	0	0	0	0	112.1
50	S	29.1	Very low	32	Very low	118 Å²	118	138.7 Å²	138.7	83%	0.825	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-83.9	135.3	171.8	56.4	0	0	0	0	111.5
51	L	31.3	Very low	31.2	Very low	161 Å²	161	133.2 Å²	133.2	84%	0.843	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-51.4	145	170	-73.7	111.9	0	0	0	114.1
52	L	29.8	Very low	30.5	Very low	178 Å²	178	138.2 Å²	138.2	93%	0.932	85%	0.848	S	S	*	*				-175.4	98.9	124.3	-95.9	156.2	0	0	0	109.3
53	G	28.4	Very low	30	Very low	79 Å²	79	141.4 Å²	141.4	81%	0.814	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-85.7	126.3	168.6	0	0	0	0	0	110.2
54	G	28.1	Very low	29.5	Very low	82 Å²	82	135 Å²	135	85%	0.845	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-77.3	135.9	173.1	0	0	0	0	0	111.9
55	A	28.7	Very low	29	Very low	104 Å²	104	126.8 Å²	126.8	86%	0.86	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-83.4	143.5	173.3	0	0	0	0	0	111.4
56	L	31.1	Very low	28.7	Very low	178 Å²	178	130.9 Å²	130.9	93%	0.932	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-62.9	141.7	169.8	-77.7	140.8	0	0	0	112
57	G	25.9	Very low	29	Very low	77 Å²	77	130.9 Å²	130.9	79%	0.794	84%	0.844	S	S	*	*			trans	-155.1	105.9	168.1	0	0	0	0	0	110.9
58	V	30.6	Very low	29.1	Very low	140 Å²	140	123.2 Å²	123.2	85%	0.848	83%	0.834	S	S	*	*			trans	-78.5	125.4	170.9	170.3	0	0	0	0	108.9
59	I	27.6	Very low	29.3	Very low	167 Å²	167	127 Å²	127	86%	0.856	84%	0.841	S	S	*	*			trans	-147.9	126.4	152.8	-50.4	179.9	0	0	0	108.3
60	G	28	Very low	29.7	Very low	68 Å²	68	125.7 Å²	125.7	70%	0.701	84%	0.837	S	S	*	*			trans	-91.6	154	167.6	0	0	0	0	0	111.9
61	A	28.3	Very low	30.1	Very low	106 Å²	106	128.8 Å²	128.8	88%	0.876	84%	0.838	S	S	*	*			trans	-159	137.6	158.9	0	0	0	0	0	109.9
62	E	27.2	Very low	30.5	Very low	176 Å²	176	124.9 Å²	124.9	82%	0.822	84%	0.837	S	S	*	*			trans	-82	167.2	176.8	-64.5	-178	134.6	0	0	113.2
63	H	28.7	Very low	32	Very low	173 Å²	173	126.7 Å²	126.7	80%	0.801	83%	0.831	S	S	*	*			trans	99.8	133.9	148.6	-89.5	44.4	0	0	0	121.4
64	A	26.9	Very low	33.9	Very low	99 Å²	99	125.4 Å²	125.4	82%	0.818	82%	0.818	S	S	*	*			trans	102.8	117.4	151.3	0	0	0	0	0	116.5
65	G	26.2	Very low	36.6	Very low	75 Å²	75	124 Å²	124	77%	0.773	79%	0.794	S	S	*	*			trans	-84.1	162.1	-175.2	0	0	0	0	0	113.7
66	M	26.1	Very low	39.7	Very low	190 Å²	190	122.5 Å²	122.5	94%	0.936	77%	0.766	S	S	*	*			trans	-162.1	127.7	150.3	-113	163.8	130.5	0	0	107.6	A68	M66-A68 PolarHBondContact O-N 2.95Å
67	A	36.3	Very low	42.8	Very low	105 Å²	105	114.4 Å²	114.4	87%	0.868	72%	0.724	S	S	*	*			trans	-53.7	124.4	170	0	0	0	0	0	109.7
68	A	30.4	Very low	46.1	Very low	86 Å²	86	110.8 Å²	110.8	71%	0.711	69%	0.687	S	S	*	*			trans	-130.3	85.5	160.4	0	0	0	0	0	106.7	M66	M66-A68 PolarHBondContact O-N 2.95Å
69	E	38.8	Very low	49.3	Very low	202 Å²	202	104.1 Å²	104.1	94%	0.944	65%	0.646	S	S	*	*			trans	-58.4	131.3	158	-73.1	-178.3	142	0	0	108.4
70	G	36.4	Very low	52.7	Low	75 Å²	75	96.2 Å²	96.2	77%	0.773	61%	0.605	S	S	*	*			trans	122.8	38.6	173.8	0	0	0	0	0	116.2
71	H	37.1	Very low	56.1	Low	183 Å²	183	93 Å²	93	85%	0.847	57%	0.572	S	S	*	*			trans	-84.6	112.1	159.8	-86.7	-38.7	0	0	0	110	R73	H71-R73 PolarHBondContact O-N 2.7Å
72	G	40.3	Very low	59.4	Low	79 Å²	79	88.2 Å²	88.2	81%	0.814	53%	0.531	S	S	*	.			trans	-52.1	110.8	174.1	0	0	0	0	0	110.7	G74	G72-G74 PolarHBondContact O-N 3.03Å
73	R	60.3	Low	62.6	Low	216 Å²	216	81.9 Å²	81.9	82%	0.815	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-58.9	124.9	170.4	-99.1	174.5	163.5	172.8	-6.4	107.7	H71	H71-R73 PolarHBondContact O-N 2.7Å
74	G	69.1	Low	65.9	Low	52 Å²	52	74.4 Å²	74.4	54%	0.536	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-55.6	169.5	170.5	0	0	0	0	0	112.2	G72 R76	G72-G74 PolarHBondContact O-N 3.03Å; G74-R76 PolarHBondContact O-N 2.82Å
75	P	84.8	Confident	69.2	Low	53 Å²	53	70.4 Å²	70.4	34%	0.344	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-57	127.2	-176.9	24.6	-34.6	0	0	0	110.7	V77 P106 T149	P75-V77 VanDerWaalsContact C-N 3.34Å; P75-P106 HydrophobicContact CG-CG 4.05Å; P75-T149 VanDerWaalsContact O-CG2 3.26Å; P75-T149 WeakPolarHBondContact O-CG2 3.36Å
76	R	93.6	Very high	72.5	Confident	73 Å²	73	68.1 Å²	68.1	28%	0.275	40%	0.404	S	S	.	.	S	Bend	trans	-82.5	-12.9	177.2	-66.1	-176.8	71.8	-164.5	4.9	113.4	G74 E150 F151 E175	G74-R76 PolarHBondContact O-N 2.82Å; R76-E150 IonicContact CZ-OE2 3.6Å; R76-E150 IonicContact NE-OE2 2.83Å; R76-E150 PolarHBondContact NE-OE2 3.42Å; R76-E150 IonicContact NH2-OE1 3.45Å; R76-E150 PolarHBondContact NH2-OE1 2.91Å; R76-E150 IonicContact NH2-OE2 3.22Å; R76-E150 PolarHBondContact NH2-OE2 2.64Å; R76-E150 PolarHBondContact O-N 3.45Å; R76-E150 VanDerWaalsContact O-N 3.15Å; R76-F151 PolarHBondContact O-N 3.11Å; R76-E175 IonicContact CZ-OE1 3.25Å; R76-E175 IonicContact NH1-OE1 2.91Å; R76-E175 PolarHBondContact NH1-OE1 3.2Å; R76-E175 IonicContact NH2-OE1 2.69Å; R76-E175 PolarHBondContact NH2-OE1 3.42Å
77	V	95.6	Very high	75.7	Confident	7 Å²	7	61.2 Å²	61.2	4%	0.042	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	138.2	-174.1	-174.9	0	0	0	0	110	P75 L105 F151 L153 F167 I171 L233	P75-V77 VanDerWaalsContact C-N 3.34Å; V77-L105 WeakPolarHBondContact O-CD1 3.47Å; V77-F151 CarbonylContact C-O 3.52Å; V77-F151 VanDerWaalsContact CA-O 3.31Å; V77-F151 WeakPolarHBondContact CA-O 3.38Å; V77-F151 HydrophobicContact CG2-CB 4.29Å; V77-L153 HydrophobicContact CG1-CB 3.77Å; V77-F167 HydrophobicContact CB-CD1 4.32Å; V77-F167 HydrophobicContact CG1-CD1 4.02Å; V77-F167 HydrophobicContact CG1-CE1 4.23Å; V77-F167 HydrophobicContact CG2-CD1 4.35Å; V77-I171 HydrophobicContact CG2-CD1 3.61Å; V77-I171 HydrophobicContact CG2-CG1 4.22Å; V77-L233 HydrophobicContact CG1-CD1 4.19Å
78	S	96.6	Very high	78.6	Confident	2 Å²	2	58.1 Å²	58.1	1%	0.014	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	142.4	162.9	-67.7	0	0	0	0	110.5	P106 T149 F151 V152 L153	S78-P106 WeakPolarHBondContact CA-O 2.97Å; S78-P106 WeakPolarHBondContact OG-CB 3.32Å; S78-T149 VanDerWaalsContact CB-OG1 3.25Å; S78-T149 WeakPolarHBondContact CB-OG1 3.39Å; S78-T149 PolarHBondContact N-OG1 3.09Å; S78-T149 WeakPolarHBondContact OG-CG2 3.47Å; S78-T149 PolarHBondContact OG-OG1 2.82Å; S78-F151 PolarHBondContact N-O 3.17Å; S78-V152 WeakPolarHBondContact O-CA 3.42Å; S78-L153 PolarHBondContact O-N 2.85Å
79	V	97.9	Very high	81.7	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	132.2	172.7	178.7	0	0	0	0	109.5	F98 L105 P106 F107 L108 L153 V155 F167	V79-F98 HydrophobicContact CG1-CD1 4.4Å; V79-F98 HydrophobicContact CG1-CE1 4.43Å; V79-F98 HydrophobicContact CG2-CD1 3.6Å; V79-F98 HydrophobicContact CG2-CE1 3.87Å; V79-F98 HydrophobicContact CG2-CG 4.43Å; V79-L105 HydrophobicContact CB-CD2 4.5Å; V79-L105 HydrophobicContact CG2-CD1 4.38Å; V79-L105 HydrophobicContact CG2-CD2 3.42Å; V79-L105 VanDerWaalsContact CG2-CD2 3.42Å; V79-L105 HydrophobicContact CG2-CG 4.01Å; V79-P106 PolarHBondContact N-O 3.03Å; V79-F107 HydrophobicContact CB-CD2 3.72Å; V79-F107 HydrophobicContact CB-CE2 4.14Å; V79-F107 HydrophobicContact CB-CG 4.4Å; V79-F107 HydrophobicContact CG1-CD2 3.55Å; V79-F107 HydrophobicContact CG1-CE2 3.41Å; V79-F107 VanDerWaalsContact CG1-CE2 3.41Å; V79-F107 HydrophobicContact CG1-CG 4.45Å; V79-F107 HydrophobicContact CG1-CZ 4.23Å; V79-F107 HydrophobicContact CG2-CD2 4.46Å; V79-L108 PolarHBondContact O-N 3Å; V79-L153 HydrophobicContact CG2-CB 4.5Å; V79-L153 HydrophobicContact CG2-CD2 4.43Å; V79-V155 HydrophobicContact CG1-CB 4.16Å; V79-V155 HydrophobicContact CG1-CG2 3.71Å; V79-F167 HydrophobicContact CG2-CE1 4.42Å
80	L	98.4	Very high	84.4	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	120.9	176.3	-173	150.8	0	0	0	110.2	R82 L108 V110 L147 V152 L153 L154 V155 L246	L80-R82 HydrophobicContact CD2-CB 3.73Å; L80-L108 WeakPolarHBondContact CA-O 3.34Å; L80-V110 HydrophobicContact CD1-CG2 3.98Å; L80-V110 HydrophobicContact CD2-CG2 4.25Å; L80-V110 HydrophobicContact CG-CG2 3.89Å; L80-L147 HydrophobicContact CD1-CD1 3.49Å; L80-L147 VanDerWaalsContact CD1-CD1 3.49Å; L80-V152 HydrophobicContact CB-CG1 3.63Å; L80-V152 HydrophobicContact CD1-CG1 4.32Å; L80-L153 PolarHBondContact N-O 3Å; L80-L154 HydrophobicContact CB-CD2 4.23Å; L80-L154 HydrophobicContact CD2-CD2 3.83Å; L80-L154 HydrophobicContact CG-CD2 4.47Å; L80-L154 WeakPolarHBondContact O-CA 3.29Å; L80-V155 PolarHBondContact O-N 3.09Å; L80-L246 HydrophobicContact CD1-CD1 3.95Å; L80-L246 HydrophobicContact CD1-CD2 3.88Å; L80-L246 HydrophobicContact CD2-CD2 3.79Å
81	L	98.4	Very high	87.4	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	111.2	176.1	-165.7	163.3	0	0	0	109	F84 V91 V94 F107 L108 A109 V110	L81-F84 HydrophobicContact CD2-CB 3.97Å; L81-F84 HydrophobicContact CD2-CD1 3.45Å; L81-F84 VanDerWaalsContact CD2-CD1 3.45Å; L81-F84 HydrophobicContact CD2-CE1 4.24Å; L81-F84 HydrophobicContact CD2-CG 4.02Å; L81-V91 HydrophobicContact CD1-CB 4.41Å; L81-V91 HydrophobicContact CD1-CG1 4.17Å; L81-V91 HydrophobicContact CD1-CG2 4.23Å; L81-V91 HydrophobicContact CD2-CG1 4.41Å; L81-V91 HydrophobicContact CD2-CG2 3.77Å; L81-V94 HydrophobicContact CD1-CB 3.95Å; L81-V94 HydrophobicContact CD1-CG1 3.83Å; L81-V94 HydrophobicContact CD1-CG2 4.19Å; L81-F107 HydrophobicContact CB-CE1 4.35Å; L81-F107 HydrophobicContact CB-CZ 4.09Å; L81-F107 HydrophobicContact CD1-CZ 4.05Å; L81-L108 PolarHBondContact N-O 2.85Å; L81-A109 WeakPolarHBondContact O-CA 3.32Å; L81-V110 PolarHBondContact O-N 3.1Å
82	R	97.7	Very high	90.2	Very high	6 Å²	6	36.7 Å²	36.7	2%	0.023	20%	0.204	C	C	.	.			trans	-112.8	-38.4	-175.1	178	59.2	-178.1	124	-3.3	114.1	L80 F84 V110 D112 L246 R248 L250	L80-R82 HydrophobicContact CD2-CB 3.73Å; R82-F84 PolarHBondContact O-N 3.09Å; R82-V110 WeakPolarHBondContact CD-O 3.09Å; R82-V110 PolarHBondContact NH1-O 3.42Å; R82-D112 IonicContact CZ-OD1 2.93Å; R82-D112 IonicContact CZ-OD2 2.82Å; R82-D112 IonicContact NH1-OD2 2.82Å; R82-D112 PolarHBondContact NH1-OD2 3.17Å; R82-D112 IonicContact NH2-OD1 2.93Å; R82-D112 PolarHBondContact NH2-OD1 2.91Å; R82-D112 IonicContact NH2-OD2 2.68Å; R82-D112 PolarHBondContact NH2-OD2 2.77Å; R82-L246 HydrophobicContact CG-CB 4.48Å; R82-L246 PolarHBondContact NE-O 3.4Å; R82-L246 PolarHBondContact NH2-O 3.09Å; R82-R248 VanDerWaalsContact CZ-CD 3.49Å; R82-R248 VanDerWaalsContact NH2-CG 3.31Å; R82-L250 HydrophobicContact CB-CD2 4.22Å; R82-L250 HydrophobicContact CG-CD1 4.3Å
83	E	95.6	Very high	92.9	Very high	43 Å²	43	36.7 Å²	36.7	20%	0.201	19%	0.185	C	C	.	.			trans	-93.6	100.7	-176.3	-73	-59.3	157.9	0	0	110.6	D157 R248 P249 L250	E83-D157 WeakPolarHBondContact O-CB 3.5Å; E83-D157 PolarHBondContact O-N 3.33Å; E83-R248 WeakPolarHBondContact OE1-CG 3.46Å; E83-R248 IonicContact OE1-NE 3.56Å; E83-R248 IonicContact OE2-CZ 3.79Å; E83-R248 IonicContact OE2-NE 3.16Å; E83-R248 PolarHBondContact OE2-NE 3.38Å; E83-R248 IonicContact OE2-NH2 3.99Å; E83-R248 PolarHBondContact OE2-NH2 3.05Å; E83-P249 VanDerWaalsContact OE1-CA 3.29Å; E83-P249 WeakPolarHBondContact OE1-CA 3.07Å; E83-L250 HydrophobicContact CG-CB 3.58Å; E83-L250 WeakPolarHBondContact OE1-CB 3.38Å; E83-L250 PolarHBondContact OE1-N 3.37Å
84	F	96.6	Very high	94.6	Very high	16 Å²	16	26.4 Å²	26.4	7%	0.07	15%	0.146	C	C	.	.			trans	-157	163.9	172.6	68.9	-82.7	0	0	0	110.1	L81 R82 N89 V91 V110 A111 P115 L119 D157 R248	L81-F84 HydrophobicContact CD2-CB 3.97Å; L81-F84 HydrophobicContact CD2-CD1 3.45Å; L81-F84 VanDerWaalsContact CD2-CD1 3.45Å; L81-F84 HydrophobicContact CD2-CE1 4.24Å; L81-F84 HydrophobicContact CD2-CG 4.02Å; R82-F84 PolarHBondContact O-N 3.09Å; F84-N89 HydrophobicContact CB-CB 4.19Å; F84-N89 HydrophobicContact CD2-CB 4.26Å; F84-V91 HydrophobicContact CB-CG2 3.75Å; F84-V91 HydrophobicContact CD1-CG2 4Å; F84-V91 HydrophobicContact CD2-CG2 3.65Å; F84-V91 HydrophobicContact CE1-CG2 4.49Å; F84-V91 HydrophobicContact CE2-CG2 4.2Å; F84-V91 HydrophobicContact CG-CG2 3.53Å; F84-V110 WeakPolarHBondContact CE1-O 3.5Å; F84-A111 HydrophobicContact CZ-CB 4.01Å; F84-P115 HydrophobicContact CE2-CB 4.46Å; F84-P115 HydrophobicContact CE2-CG 4.2Å; F84-P115 HydrophobicContact CZ-CG 4.14Å; F84-L119 HydrophobicContact CE2-CD1 3.94Å; F84-L119 HydrophobicContact CE2-CD2 4.12Å; F84-L119 HydrophobicContact CZ-CD1 3.92Å; F84-D157 HydrophobicContact CB-CB 3.99Å; F84-R248 PolarHBondContact O-NH2 3.13Å
85	E	96.9	Very high	96	Very high	15 Å²	15	23.9 Å²	23.9	7%	0.07	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-112.2	128.4	174.9	-69.5	-56.6	134.4	0	0	111.4	F87 E88 N89 R248 F281 R293	E85-F87 HydrophobicContact CB-CD1 3.93Å; E85-F87 HydrophobicContact CB-CE1 3.56Å; E85-F87 HydrophobicContact CB-CZ 4.02Å; E85-F87 HydrophobicContact CG-CE1 3.9Å; E85-F87 HydrophobicContact CG-CZ 4.29Å; E85-F87 PolarHBondContact O-N 3.49Å; E85-E88 CarbonylContact O-C 3.58Å; E85-E88 PolarHBondContact O-N 2.79Å; E85-N89 WeakPolarHBondContact O-CB 3.32Å; E85-N89 PolarHBondContact O-ND2 3.44Å; E85-R248 IonicContact OE1-CZ 3.6Å; E85-R248 IonicContact OE1-NH1 3.34Å; E85-R248 PolarHBondContact OE1-NH1 3.22Å; E85-R248 IonicContact OE1-NH2 3.67Å; E85-R248 PolarHBondContact OE1-NH2 2.6Å; E85-F281 HydrophobicContact CB-CE1 3.8Å; E85-F281 HydrophobicContact CB-CZ 3.8Å; E85-F281 HydrophobicContact CG-CE1 4.04Å; E85-F281 HydrophobicContact CG-CZ 3.69Å; E85-R293 WeakPolarHBondContact OE2-CD 3.19Å; E85-R293 IonicContact OE2-CZ 2.84Å; E85-R293 IonicContact OE2-NE 3.58Å; E85-R293 IonicContact OE2-NH1 2.76Å; E85-R293 PolarHBondContact OE2-NH1 2.94Å
86	S	94.9	Very high	96.5	Very high	28 Å²	28	24.5 Å²	24.5	20%	0.196	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.7	-174	71.6	0	0	0	0	114	N89 Y116 P117	S86-N89 PolarHBondContact O-ND2 2.83Å; S86-Y116 PolarHBondContact OG-O 3.26Å; S86-Y116 VanDerWaalsContact OG-O 3.14Å; S86-P117 WeakPolarHBondContact O-CD 3.2Å
87	F	94.6	Very high	96.6	Very high	44 Å²	44	21.9 Å²	21.9	19%	0.193	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-17.7	-175.9	67.5	-94.8	0	0	0	113.9	E85 F281 N286 K289 A290	E85-F87 HydrophobicContact CB-CD1 3.93Å; E85-F87 HydrophobicContact CB-CE1 3.56Å; E85-F87 HydrophobicContact CB-CZ 4.02Å; E85-F87 HydrophobicContact CG-CE1 3.9Å; E85-F87 HydrophobicContact CG-CZ 4.29Å; E85-F87 PolarHBondContact O-N 3.49Å; F87-F281 AromaticContact CE2-CD1 3.69Å; F87-F281 HydrophobicContact CE2-CD1 3.69Å; F87-F281 AromaticContact CE2-CE1 3.78Å; F87-F281 HydrophobicContact CE2-CE1 3.78Å; F87-F281 AromaticContact CZ-CD1 3.83Å; F87-F281 HydrophobicContact CZ-CD1 3.83Å; F87-F281 AromaticContact CZ-CE1 3.68Å; F87-F281 HydrophobicContact CZ-CE1 3.68Å; F87-N286 HydrophobicContact CE2-CB 3.78Å; F87-K289 HydrophobicContact CE1-CB 4.12Å; F87-K289 HydrophobicContact CE2-CB 4.5Å; F87-K289 HydrophobicContact CZ-CB 3.9Å; F87-A290 HydrophobicContact CZ-CB 4.21Å
88	E	95.6	Very high	96.6	Very high	40 Å²	40	21.5 Å²	21.5	19%	0.187	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-162.4	112.9	178	-169.8	-179.9	165.2	0	0	108.1	E85 L280 F281 N286	E85-E88 CarbonylContact O-C 3.58Å; E85-E88 PolarHBondContact O-N 2.79Å; E88-L280 HydrophobicContact CG-CD2 3.91Å; E88-F281 HydrophobicContact CB-CD1 4.15Å; E88-F281 HydrophobicContact CB-CE1 4.02Å; E88-F281 VanDerWaalsContact CD-N 3.25Å; E88-F281 HydrophobicContact CG-CD1 4.48Å; E88-F281 WeakPolarHBondContact O-CE1 3.17Å; E88-F281 PolarHBondContact OE1-N 3.49Å; E88-F281 WeakPolarHBondContact OE2-CA 3.46Å; E88-F281 PolarHBondContact OE2-N 2.85Å; E88-N286 WeakPolarHBondContact OE2-CB 3.46Å; E88-N286 PolarHBondContact OE2-ND2 2.97Å
89	N	96.1	Very high	96.6	Very high	40 Å²	40	22.2 Å²	22.2	21%	0.214	12%	0.115	C	C	.	.			trans	-159.4	168.2	-176.2	61.9	85.8	0	0	0	111.7	F84 E85 S86 V91 D157	F84-N89 HydrophobicContact CB-CB 4.19Å; F84-N89 HydrophobicContact CD2-CB 4.26Å; E85-N89 WeakPolarHBondContact O-CB 3.32Å; E85-N89 PolarHBondContact O-ND2 3.44Å; S86-N89 PolarHBondContact O-ND2 2.83Å; N89-V91 HydrophobicContact CB-CG2 4.05Å; N89-V91 WeakPolarHBondContact OD1-CG2 3.49Å; N89-V91 PolarHBondContact OD1-N 2.93Å; N89-D157 WeakPolarHBondContact CA-OD2 3.46Å; N89-D157 WeakPolarHBondContact CB-OD2 3.49Å
90	Y	96.9	Very high	96.4	Very high	46 Å²	46	31.5 Å²	31.5	18%	0.18	15%	0.15	C	C	.	.			trans	-116.6	20	175	-70.1	-66	0	0	0	112.9	G92 D93 V94 D157 H277 R278 L280	Y90-G92 VanDerWaalsContact C-N 3.27Å; Y90-G92 PolarHBondContact O-N 2.8Å; Y90-G92 VanDerWaalsContact O-N 3.11Å; Y90-D93 WeakPolarHBondContact CD1-OD2 3.4Å; Y90-D93 WeakPolarHBondContact O-CA 3.44Å; Y90-D93 WeakPolarHBondContact O-CB 3.25Å; Y90-D93 PolarHBondContact O-N 3.08Å; Y90-V94 WeakPolarHBondContact O-CG2 3.14Å; Y90-V94 PolarHBondContact O-N 3.5Å; Y90-D157 VanDerWaalsContact CA-OD1 3.26Å; Y90-D157 WeakPolarHBondContact CA-OD1 3.48Å; Y90-D157 WeakPolarHBondContact CB-OD1 3.45Å; Y90-D157 VanDerWaalsContact N-CG 3.33Å; Y90-D157 PolarHBondContact N-OD1 3.27Å; Y90-D157 PolarHBondContact N-OD2 3.07Å; Y90-H277 HydrophobicContact CD1-CB 4.32Å; Y90-H277 HydrophobicContact CD2-CB 3.99Å; Y90-H277 HydrophobicContact CE1-CB 4.02Å; Y90-H277 HydrophobicContact CE2-CB 3.65Å; Y90-H277 HydrophobicContact CG-CB 4.33Å; Y90-R278 VanDerWaalsContact CE2-O 3.23Å; Y90-R278 WeakPolarHBondContact CE2-O 3.45Å; Y90-R278 PolarHBondContact OH-O 2.83Å; Y90-R278 VanDerWaalsContact OH-O 3.13Å; Y90-L280 HydrophobicContact CD2-CD1 4.19Å; Y90-L280 HydrophobicContact CD2-CD2 3.52Å; Y90-L280 HydrophobicContact CD2-CG 3.77Å; Y90-L280 HydrophobicContact CE2-CD2 3.43Å; Y90-L280 VanDerWaalsContact CE2-CD2 3.43Å; Y90-L280 HydrophobicContact CE2-CG 3.72Å; Y90-L280 HydrophobicContact CG-CD2 4.47Å
91	V	97.5	Very high	96.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-54.1	-42	-170.7	178.2	0	0	0	0	112.8	L81 F84 N89 A95 A109 L119 L121 D157	L81-V91 HydrophobicContact CD1-CB 4.41Å; L81-V91 HydrophobicContact CD1-CG1 4.17Å; L81-V91 HydrophobicContact CD1-CG2 4.23Å; L81-V91 HydrophobicContact CD2-CG1 4.41Å; L81-V91 HydrophobicContact CD2-CG2 3.77Å; F84-V91 HydrophobicContact CB-CG2 3.75Å; F84-V91 HydrophobicContact CD1-CG2 4Å; F84-V91 HydrophobicContact CD2-CG2 3.65Å; F84-V91 HydrophobicContact CE1-CG2 4.49Å; F84-V91 HydrophobicContact CE2-CG2 4.2Å; F84-V91 HydrophobicContact CG-CG2 3.53Å; N89-V91 HydrophobicContact CB-CG2 4.05Å; N89-V91 WeakPolarHBondContact OD1-CG2 3.49Å; N89-V91 PolarHBondContact OD1-N 2.93Å; V91-A95 WeakPolarHBondContact O-CB 3.34Å; V91-A95 PolarHBondContact O-N 2.87Å; V91-A109 HydrophobicContact CG1-CB 3.76Å; V91-L119 HydrophobicContact CB-CD1 4.39Å; V91-L119 HydrophobicContact CB-CD2 4.48Å; V91-L119 HydrophobicContact CG1-CD1 4.04Å; V91-L121 HydrophobicContact CG1-CD2 3.85Å; V91-D157 PolarHBondContact N-OD1 2.96Å; V91-D157 VanDerWaalsContact N-OD1 3.11Å
92	G	97.1	Very high	95.9	Very high	11 Å²	11	37.7 Å²	37.7	11%	0.113	18%	0.177	C	C	.	.	H	α-helix	trans	-66.5	-39.2	177.3	0	0	0	0	0	113.1	Y90 A95 N96 V120	Y90-G92 VanDerWaalsContact C-N 3.27Å; Y90-G92 PolarHBondContact O-N 2.8Å; Y90-G92 VanDerWaalsContact O-N 3.11Å; G92-A95 PolarHBondContact O-N 2.86Å; G92-N96 WeakPolarHBondContact O-CB 3.36Å; G92-N96 PolarHBondContact O-N 2.88Å; G92-N96 PolarHBondContact O-ND2 2.87Å; G92-V120 VanDerWaalsContact CA-O 3.3Å; G92-V120 WeakPolarHBondContact CA-O 3.25Å
93	D	96.5	Very high	95.6	Very high	78 Å²	78	42 Å²	42	42%	0.417	21%	0.206	S	C	.	.	H	α-helix	trans	-69.6	-41.5	178.2	-63.7	-52.1	0	0	0	111.3	Y90 N96 S97	Y90-D93 WeakPolarHBondContact CD1-OD2 3.4Å; Y90-D93 WeakPolarHBondContact O-CA 3.44Å; Y90-D93 WeakPolarHBondContact O-CB 3.25Å; Y90-D93 PolarHBondContact O-N 3.08Å; D93-N96 WeakPolarHBondContact O-CB 3.41Å; D93-N96 PolarHBondContact O-N 3.1Å; D93-S97 WeakPolarHBondContact O-CB 3.36Å; D93-S97 PolarHBondContact O-N 3.02Å
94	V	96.8	Very high	95.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-57.9	-51.3	171.4	178.8	0	0	0	0	109.8	L81 Y90 N96 S97 F98 F107 V155 G158 V159	L81-V94 HydrophobicContact CD1-CB 3.95Å; L81-V94 HydrophobicContact CD1-CG1 3.83Å; L81-V94 HydrophobicContact CD1-CG2 4.19Å; Y90-V94 WeakPolarHBondContact O-CG2 3.14Å; Y90-V94 PolarHBondContact O-N 3.5Å; V94-N96 VanDerWaalsContact C-N 3.32Å; V94-N96 PolarHBondContact O-N 2.86Å; V94-S97 WeakPolarHBondContact O-CB 3.34Å; V94-S97 PolarHBondContact O-N 3.42Å; V94-S97 VanDerWaalsContact O-N 3.14Å; V94-F98 HydrophobicContact CG1-CD2 3.91Å; V94-F98 HydrophobicContact CG1-CE2 3.87Å; V94-F98 VanDerWaalsContact O-CD2 3.29Å; V94-F98 WeakPolarHBondContact O-CD2 3.29Å; V94-F98 PolarHBondContact O-N 3.15Å; V94-F98 VanDerWaalsContact O-N 3.08Å; V94-F107 HydrophobicContact CG1-CE2 4.07Å; V94-F107 HydrophobicContact CG1-CZ 4.04Å; V94-V155 HydrophobicContact CG1-CG1 4.06Å; V94-G158 VanDerWaalsContact CG2-N 3.34Å; V94-V159 WeakPolarHBondContact CG1-O 3.09Å; V94-V159 WeakPolarHBondContact CG2-O 3.45Å
95	A	97.4	Very high	95.1	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-56.8	-45.1	178	0	0	0	0	0	112.4	V91 G92 S97 F98 L99 F107 P122 A125	V91-A95 WeakPolarHBondContact O-CB 3.34Å; V91-A95 PolarHBondContact O-N 2.87Å; G92-A95 PolarHBondContact O-N 2.86Å; A95-S97 PolarHBondContact O-N 2.01Å; A95-F98 PolarHBondContact O-N 3.28Å; A95-L99 WeakPolarHBondContact O-CB 3.43Å; A95-L99 WeakPolarHBondContact O-CG 3.23Å; A95-L99 PolarHBondContact O-N 3.21Å; A95-F107 HydrophobicContact CB-CD1 3.81Å; A95-F107 HydrophobicContact CB-CD2 4.26Å; A95-F107 HydrophobicContact CB-CE1 3.63Å; A95-F107 HydrophobicContact CB-CE2 4.09Å; A95-F107 HydrophobicContact CB-CG 4.14Å; A95-F107 HydrophobicContact CB-CZ 3.77Å; A95-P122 HydrophobicContact CB-CG 3.77Å; A95-A125 HydrophobicContact CB-CB 3.94Å
96	N	96.3	Very high	95	Very high	65 Å²	65	45.9 Å²	45.9	35%	0.348	23%	0.227	S	C	.	.	H	α-helix	trans	-60.7	-42.1	176.4	-85	-49.5	0	0	0	112.7	G92 D93 V94 R100 P122	G92-N96 WeakPolarHBondContact O-CB 3.36Å; G92-N96 PolarHBondContact O-N 2.88Å; G92-N96 PolarHBondContact O-ND2 2.87Å; D93-N96 WeakPolarHBondContact O-CB 3.41Å; D93-N96 PolarHBondContact O-N 3.1Å; V94-N96 VanDerWaalsContact C-N 3.32Å; V94-N96 PolarHBondContact O-N 2.86Å; N96-R100 WeakPolarHBondContact O-CB 3.43Å; N96-R100 PolarHBondContact O-N 3.1Å; N96-P122 WeakPolarHBondContact OD1-CB 3.43Å; N96-P122 WeakPolarHBondContact OD1-CG 3.49Å
97	S	95.6	Very high	95.2	Very high	18 Å²	18	44.5 Å²	44.5	13%	0.126	22%	0.218	C	C	.	.	H	α-helix	trans	-61.1	-47.8	178.8	-175.3	0	0	0	0	111	D93 V94 A95 Q101 E160 L161	D93-S97 WeakPolarHBondContact O-CB 3.36Å; D93-S97 PolarHBondContact O-N 3.02Å; V94-S97 WeakPolarHBondContact O-CB 3.34Å; V94-S97 PolarHBondContact O-N 3.42Å; V94-S97 VanDerWaalsContact O-N 3.14Å; A95-S97 PolarHBondContact O-N 2.01Å; S97-Q101 WeakPolarHBondContact O-CG 3.37Å; S97-Q101 PolarHBondContact O-N 3.15Å; S97-E160 WeakPolarHBondContact OG-CA 3.32Å; S97-L161 PolarHBondContact OG-N 2.57Å
98	F	95.8	Very high	95.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-67.3	-46.4	179.6	-83.2	-101.6	0	0	0	112.9	V79 V94 A95 R100 Q101 R102 L105 F107 L153 V155 V159 L161 F167 F273	V79-F98 HydrophobicContact CG1-CD1 4.4Å; V79-F98 HydrophobicContact CG1-CE1 4.43Å; V79-F98 HydrophobicContact CG2-CD1 3.6Å; V79-F98 HydrophobicContact CG2-CE1 3.87Å; V79-F98 HydrophobicContact CG2-CG 4.43Å; V94-F98 HydrophobicContact CG1-CD2 3.91Å; V94-F98 HydrophobicContact CG1-CE2 3.87Å; V94-F98 VanDerWaalsContact O-CD2 3.29Å; V94-F98 WeakPolarHBondContact O-CD2 3.29Å; V94-F98 PolarHBondContact O-N 3.15Å; V94-F98 VanDerWaalsContact O-N 3.08Å; A95-F98 PolarHBondContact O-N 3.28Å; F98-R100 PolarHBondContact O-N 3.01Å; F98-Q101 PolarHBondContact O-N 3.07Å; F98-R102 PolarHBondContact O-N 3.36Å; F98-L105 HydrophobicContact CB-CD2 4.08Å; F98-L105 HydrophobicContact CD1-CD2 3.88Å; F98-L105 HydrophobicContact CG-CD2 4.48Å; F98-F107 HydrophobicContact CB-CD2 4.15Å; F98-F107 HydrophobicContact CB-CE2 4.35Å; F98-F107 HydrophobicContact CD2-CE2 4.44Å; F98-F107 HydrophobicContact CG-CE2 4.4Å; F98-L153 HydrophobicContact CE1-CD2 3.95Å; F98-V155 HydrophobicContact CE1-CG2 4.24Å; F98-V155 HydrophobicContact CE2-CG1 4.06Å; F98-V155 HydrophobicContact CZ-CG1 4.01Å; F98-V155 HydrophobicContact CZ-CG2 3.82Å; F98-V159 HydrophobicContact CE2-CG1 4.35Å; F98-V159 HydrophobicContact CZ-CG1 4.5Å; F98-L161 HydrophobicContact CD1-CB 4.02Å; F98-L161 HydrophobicContact CD1-CD2 3.81Å; F98-L161 HydrophobicContact CD1-CG 4.4Å; F98-L161 HydrophobicContact CD2-CB 3.88Å; F98-L161 HydrophobicContact CE1-CB 4.05Å; F98-L161 HydrophobicContact CE1-CD1 4.36Å; F98-L161 HydrophobicContact CE1-CD2 4.23Å; F98-L161 HydrophobicContact CE1-CG 4.44Å; F98-L161 HydrophobicContact CE2-CB 3.92Å; F98-L161 HydrophobicContact CG-CB 3.96Å; F98-L161 HydrophobicContact CG-CD2 4.23Å; F98-L161 HydrophobicContact CZ-CB 4.01Å; F98-F167 AromaticContact CD1-CZ 3.87Å; F98-F167 HydrophobicContact CD1-CZ 3.87Å; F98-F167 HydrophobicContact CE1-CE1 4.35Å; F98-F167 AromaticContact CE1-CZ 3.84Å; F98-F167 HydrophobicContact CE1-CZ 3.84Å; F98-F273 HydrophobicContact CZ-CE1 4.01Å
99	L	95.6	Very high	95.5	Very high	16 Å²	16	40.7 Å²	40.7	8%	0.084	20%	0.201	C	C	.	.	H	α-helix	trans	-72.1	-27.9	-177.7	-69.8	168.1	0	0	0	113.2	A95 Q101 R102 P103 L105 P122 A125	A95-L99 WeakPolarHBondContact O-CB 3.43Å; A95-L99 WeakPolarHBondContact O-CG 3.23Å; A95-L99 PolarHBondContact O-N 3.21Å; L99-Q101 VanDerWaalsContact C-N 3.27Å; L99-Q101 PolarHBondContact O-N 3.04Å; L99-R102 CarbonylContact O-C 3.48Å; L99-R102 VanDerWaalsContact O-C 3.26Å; L99-P103 VanDerWaalsContact O-CA 3.23Å; L99-P103 WeakPolarHBondContact O-CA 3.44Å; L99-P103 WeakPolarHBondContact O-CD 2.82Å; L99-L105 HydrophobicContact CD2-CB 4.48Å; L99-L105 VanDerWaalsContact CD2-O 3.25Å; L99-L105 WeakPolarHBondContact CD2-O 3.49Å; L99-P122 HydrophobicContact CD1-CG 3.81Å; L99-A125 HydrophobicContact CD1-CB 3.98Å
100	R	94.6	Very high	95.6	Very high	195 Å²	195	38.8 Å²	38.8	74%	0.736	19%	0.191	S	C	*	.	H	α-helix	trans	-63.1	-37.3	172.2	-175	-170.7	-50.5	-122.7	0.6	111.8	N96 F98	N96-R100 WeakPolarHBondContact O-CB 3.43Å; N96-R100 PolarHBondContact O-N 3.1Å; F98-R100 PolarHBondContact O-N 3.01Å
101	Q	92.8	Very high	95.6	Very high	77 Å²	77	37 Å²	37	36%	0.36	19%	0.185	S	C	.	.	H	α-helix	trans	-82	-35.7	-179.9	-67.8	-61.1	-18.2	0	0	112.5	S97 F98 L99 L161 P164	S97-Q101 WeakPolarHBondContact O-CG 3.37Å; S97-Q101 PolarHBondContact O-N 3.15Å; F98-Q101 PolarHBondContact O-N 3.07Å; L99-Q101 VanDerWaalsContact C-N 3.27Å; L99-Q101 PolarHBondContact O-N 3.04Å; Q101-L161 HydrophobicContact CB-CD2 3.67Å; Q101-L161 HydrophobicContact CB-CG 4.35Å; Q101-L161 HydrophobicContact CG-CD2 4.03Å; Q101-L161 HydrophobicContact CG-CG 4.17Å; Q101-L161 WeakPolarHBondContact CG-O 3.15Å; Q101-P164 HydrophobicContact CB-CG 4.08Å; Q101-P164 HydrophobicContact CG-CG 4.41Å
102	R	92.1	Very high	95.6	Very high	54 Å²	54	40.3 Å²	40.3	20%	0.204	20%	0.203	C	C	.	.			trans	-139.6	91.1	176.2	-65.7	-154.1	-170.3	-159.4	4.5	110.9	F98 L99 E104 L105 P164 E168	F98-R102 PolarHBondContact O-N 3.36Å; L99-R102 CarbonylContact O-C 3.48Å; L99-R102 VanDerWaalsContact O-C 3.26Å; R102-E104 PolarHBondContact O-N 3.31Å; R102-L105 HydrophobicContact CB-CB 3.89Å; R102-L105 WeakPolarHBondContact O-CB 3.2Å; R102-L105 PolarHBondContact O-N 3.45Å; R102-L105 VanDerWaalsContact O-N 3.09Å; R102-P164 PolarHBondContact NH2-O 3.45Å; R102-E168 IonicContact CZ-OE1 3.67Å; R102-E168 VanDerWaalsContact CZ-OE1 3.26Å; R102-E168 IonicContact NH1-OE1 3.78Å; R102-E168 PolarHBondContact NH1-OE1 2.87Å; R102-E168 IonicContact NH2-OE1 2.77Å; R102-E168 PolarHBondContact NH2-OE1 2.93Å; R102-E168 IonicContact NH2-OE2 3.57Å; R102-E168 PolarHBondContact NH2-OE2 3.37Å
103	P	91.6	Very high	95.5	Very high	97 Å²	97	44.1 Å²	44.1	63%	0.63	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-28.6	-177.6	-26.3	35.6	0	0	0	114.4	L99 L105	L99-P103 VanDerWaalsContact O-CA 3.23Å; L99-P103 WeakPolarHBondContact O-CA 3.44Å; L99-P103 WeakPolarHBondContact O-CD 2.82Å; P103-L105 VanDerWaalsContact C-N 3.28Å; P103-L105 PolarHBondContact O-N 3.42Å
104	E	90.6	Very high	95.5	Very high	113 Å²	113	46.7 Å²	46.7	53%	0.528	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-2.4	179	71.1	-73	169.7	0	0	114.2	R102 P106	R102-E104 PolarHBondContact O-N 3.31Å; E104-P106 WeakPolarHBondContact O-CD 3.41Å
105	L	92.3	Very high	95.5	Very high	9 Å²	9	47 Å²	47	5%	0.047	23%	0.233	C	C	.	.			trans	-73.3	123.2	-175.3	-171.5	71.1	0	0	0	111.3	V77 V79 F98 L99 R102 P103 F107 F167	V77-L105 WeakPolarHBondContact O-CD1 3.47Å; V79-L105 HydrophobicContact CB-CD2 4.5Å; V79-L105 HydrophobicContact CG2-CD1 4.38Å; V79-L105 HydrophobicContact CG2-CD2 3.42Å; V79-L105 VanDerWaalsContact CG2-CD2 3.42Å; V79-L105 HydrophobicContact CG2-CG 4.01Å; F98-L105 HydrophobicContact CB-CD2 4.08Å; F98-L105 HydrophobicContact CD1-CD2 3.88Å; F98-L105 HydrophobicContact CG-CD2 4.48Å; L99-L105 HydrophobicContact CD2-CB 4.48Å; L99-L105 VanDerWaalsContact CD2-O 3.25Å; L99-L105 WeakPolarHBondContact CD2-O 3.49Å; R102-L105 HydrophobicContact CB-CB 3.89Å; R102-L105 WeakPolarHBondContact O-CB 3.2Å; R102-L105 PolarHBondContact O-N 3.45Å; R102-L105 VanDerWaalsContact O-N 3.09Å; P103-L105 VanDerWaalsContact C-N 3.28Å; P103-L105 PolarHBondContact O-N 3.42Å; L105-F107 PolarHBondContact O-N 3.22Å; L105-F167 HydrophobicContact CD2-CZ 4.04Å
106	P	95.4	Very high	95.4	Very high	32 Å²	32	55.7 Å²	55.7	21%	0.208	27%	0.267	C	S	.	.			trans	-67.5	118.4	172.1	-17	31	0	0	0	110	P75 S78 V79 E104 T149	P75-P106 HydrophobicContact CG-CG 4.05Å; S78-P106 WeakPolarHBondContact CA-O 2.97Å; S78-P106 WeakPolarHBondContact OG-CB 3.32Å; V79-P106 PolarHBondContact N-O 3.03Å; E104-P106 WeakPolarHBondContact O-CD 3.41Å; P106-T149 HydrophobicContact CG-CG2 4.06Å
107	F	97.6	Very high	95.3	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	125	176.1	-168.6	-75.6	0	0	0	110.6	V79 L81 V94 A95 F98 L105 A125 R126	V79-F107 HydrophobicContact CB-CD2 3.72Å; V79-F107 HydrophobicContact CB-CE2 4.14Å; V79-F107 HydrophobicContact CB-CG 4.4Å; V79-F107 HydrophobicContact CG1-CD2 3.55Å; V79-F107 HydrophobicContact CG1-CE2 3.41Å; V79-F107 VanDerWaalsContact CG1-CE2 3.41Å; V79-F107 HydrophobicContact CG1-CG 4.45Å; V79-F107 HydrophobicContact CG1-CZ 4.23Å; V79-F107 HydrophobicContact CG2-CD2 4.46Å; L81-F107 HydrophobicContact CB-CE1 4.35Å; L81-F107 HydrophobicContact CB-CZ 4.09Å; L81-F107 HydrophobicContact CD1-CZ 4.05Å; V94-F107 HydrophobicContact CG1-CE2 4.07Å; V94-F107 HydrophobicContact CG1-CZ 4.04Å; A95-F107 HydrophobicContact CB-CD1 3.81Å; A95-F107 HydrophobicContact CB-CD2 4.26Å; A95-F107 HydrophobicContact CB-CE1 3.63Å; A95-F107 HydrophobicContact CB-CE2 4.09Å; A95-F107 HydrophobicContact CB-CG 4.14Å; A95-F107 HydrophobicContact CB-CZ 3.77Å; F98-F107 HydrophobicContact CB-CD2 4.15Å; F98-F107 HydrophobicContact CB-CE2 4.35Å; F98-F107 HydrophobicContact CD2-CE2 4.44Å; F98-F107 HydrophobicContact CG-CE2 4.4Å; L105-F107 PolarHBondContact O-N 3.22Å; F107-A125 HydrophobicContact CB-CB 4.19Å; F107-A125 HydrophobicContact CD1-CB 3.92Å; F107-A125 HydrophobicContact CG-CB 4.34Å; F107-R126 PolarHBondContact O-N 2.91Å
108	L	98.1	Very high	95.4	Very high	4 Å²	4	58.8 Å²	58.8	2%	0.021	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	111.2	-177.8	-166	67.1	0	0	0	111.3	V79 L80 L81 V110 R126 L128 H146 L147	V79-L108 PolarHBondContact O-N 3Å; L80-L108 WeakPolarHBondContact CA-O 3.34Å; L81-L108 PolarHBondContact N-O 2.85Å; L108-V110 HydrophobicContact CD2-CG2 3.99Å; L108-V110 HydrophobicContact CG-CG2 3.94Å; L108-R126 WeakPolarHBondContact CA-O 3.45Å; L108-R126 HydrophobicContact CD1-CB 3.98Å; L108-L128 HydrophobicContact CD1-CB 3.89Å; L108-L128 HydrophobicContact CD2-CB 4.28Å; L108-L128 HydrophobicContact CD2-CD2 4.06Å; L108-L128 HydrophobicContact CG-CB 4.17Å; L108-H146 HydrophobicContact CD2-CB 3.98Å; L108-L147 HydrophobicContact CB-CD2 4.26Å; L108-L147 HydrophobicContact CD2-CD1 4.44Å; L108-L147 HydrophobicContact CD2-CD2 3.82Å; L108-L147 HydrophobicContact CD2-CG 3.99Å
109	A	98.4	Very high	95.4	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	133.8	164.6	0	0	0	0	0	109.1	L81 V91 L119 R126 L127 L128	L81-A109 WeakPolarHBondContact O-CA 3.32Å; V91-A109 HydrophobicContact CG1-CB 3.76Å; A109-L119 HydrophobicContact CB-CD1 4.44Å; A109-R126 PolarHBondContact N-O 2.95Å; A109-L127 HydrophobicContact CB-CD1 4.28Å; A109-L127 CarbonylContact O-C 3.06Å; A109-L127 WeakPolarHBondContact O-CA 3.47Å; A109-L128 PolarHBondContact O-N 3.26Å
110	V	98.4	Very high	95.4	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	122.2	-175.6	-174.7	0	0	0	0	111.3	L80 L81 R82 F84 L108 L128 L130 L246	L80-V110 HydrophobicContact CD1-CG2 3.98Å; L80-V110 HydrophobicContact CD2-CG2 4.25Å; L80-V110 HydrophobicContact CG-CG2 3.89Å; L81-V110 PolarHBondContact O-N 3.1Å; R82-V110 WeakPolarHBondContact CD-O 3.09Å; R82-V110 PolarHBondContact NH1-O 3.42Å; F84-V110 WeakPolarHBondContact CE1-O 3.5Å; L108-V110 HydrophobicContact CD2-CG2 3.99Å; L108-V110 HydrophobicContact CG-CG2 3.94Å; V110-L128 WeakPolarHBondContact CA-O 3.34Å; V110-L128 HydrophobicContact CG1-CD2 4.45Å; V110-L128 HydrophobicContact CG2-CB 4.32Å; V110-L128 HydrophobicContact CG2-CD2 4.39Å; V110-L130 HydrophobicContact CG1-CD1 3.77Å; V110-L130 HydrophobicContact CG1-CD2 3.68Å; V110-L130 HydrophobicContact CG1-CG 3.66Å; V110-L246 HydrophobicContact CG1-CD1 3.98Å; V110-L246 HydrophobicContact CG2-CD1 4.33Å
111	A	97.9	Very high	95.5	Very high	8 Å²	8	58.3 Å²	58.3	7%	0.066	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	152.9	178	0	0	0	0	0	111.7	F84 T113 P115 L127 L128 V129 L130	F84-A111 HydrophobicContact CZ-CB 4.01Å; A111-T113 WeakPolarHBondContact CB-O 3.3Å; A111-P115 HydrophobicContact CB-CG 3.83Å; A111-L127 HydrophobicContact CB-CD1 4.27Å; A111-L128 PolarHBondContact N-O 3.43Å; A111-V129 WeakPolarHBondContact O-CA 3.3Å; A111-L130 PolarHBondContact O-N 2.92Å
112	D	96.2	Very high	95.7	Very high	69 Å²	69	56 Å²	56	37%	0.369	30%	0.298	S	S	.	.	S	Bend	trans	-68.2	-47.2	172.7	-65.1	-62.5	0	0	0	110.5	R82 V129 S131	R82-D112 IonicContact CZ-OD1 2.93Å; R82-D112 IonicContact CZ-OD2 2.82Å; R82-D112 IonicContact NH1-OD2 2.82Å; R82-D112 PolarHBondContact NH1-OD2 3.17Å; R82-D112 IonicContact NH2-OD1 2.93Å; R82-D112 PolarHBondContact NH2-OD1 2.91Å; R82-D112 IonicContact NH2-OD2 2.68Å; R82-D112 PolarHBondContact NH2-OD2 2.77Å; D112-V129 WeakPolarHBondContact O-CG1 3.29Å; D112-S131 WeakPolarHBondContact O-CB 3.46Å; D112-S131 PolarHBondContact O-N 2.97Å; D112-S131 PolarHBondContact O-OG 2.87Å
113	T	96.1	Very high	95.8	Very high	91 Å²	91	62.9 Å²	62.9	56%	0.558	33%	0.333	S	S	*	.	S	Bend	trans	-123.1	164	178.3	57.7	0	0	0	0	109.8	A111 P115	A111-T113 WeakPolarHBondContact CB-O 3.3Å; T113-P115 VanDerWaalsContact O-CD 3.29Å; T113-P115 WeakPolarHBondContact O-CD 3.24Å; T113-P115 VanDerWaalsContact O-N 3.16Å
114	F	95.6	Very high	95.8	Very high	133 Å²	133	60.4 Å²	60.4	58%	0.583	33%	0.326	S	S	*	.			trans	-56.7	120.6	175.5	-166.9	-88.1	0	0	0	110.5	P118 L127 V129	F114-P118 HydrophobicContact CE1-CB 4.2Å; F114-P118 HydrophobicContact CE1-CG 4.23Å; F114-P118 HydrophobicContact CZ-CB 4.46Å; F114-L127 HydrophobicContact CD2-CD2 4.25Å; F114-L127 HydrophobicContact CE2-CD2 4.12Å; F114-V129 HydrophobicContact CD2-CG2 4.41Å
115	P	96.9	Very high	96.1	Very high	5 Å²	5	55.8 Å²	55.8	3%	0.032	31%	0.306	C	S	.	.			trans	-64.5	137.3	-179	-22.8	34.7	0	0	0	111.7	F84 A111 T113 P117 L119 L127	F84-P115 HydrophobicContact CE2-CB 4.46Å; F84-P115 HydrophobicContact CE2-CG 4.2Å; F84-P115 HydrophobicContact CZ-CG 4.14Å; A111-P115 HydrophobicContact CB-CG 3.83Å; T113-P115 VanDerWaalsContact O-CD 3.29Å; T113-P115 WeakPolarHBondContact O-CD 3.24Å; T113-P115 VanDerWaalsContact O-N 3.16Å; P115-P117 CarbonylContact C-O 3.51Å; P115-P117 CarbonylContact O-C 3.56Å; P115-L119 HydrophobicContact CB-CD1 4.39Å; P115-L119 HydrophobicContact CB-CD2 4.23Å; P115-L119 HydrophobicContact CB-CG 3.93Å; P115-L119 HydrophobicContact CG-CD1 3.96Å; P115-L119 HydrophobicContact CG-CG 4.01Å; P115-L127 HydrophobicContact CG-CD1 4.26Å; P115-L127 HydrophobicContact CG-CD2 4.31Å
116	Y	94.7	Very high	96.3	Very high	183 Å²	183	61.3 Å²	61.3	72%	0.718	33%	0.327	S	S	*	.	S	Bend	trans	-126.7	130.3	169.4	-171.3	-96.4	0	0	0	110.5	S86	S86-Y116 PolarHBondContact OG-O 3.26Å; S86-Y116 VanDerWaalsContact OG-O 3.14Å
117	P	95.7	Very high	96.4	Very high	73 Å²	73	62.3 Å²	62.3	47%	0.474	33%	0.33	S	S	.	.	S	Bend	cis	-59.6	156.2	-4.8	27.4	-36.5	0	0	0	113.1	S86 P115 L119	S86-P117 WeakPolarHBondContact O-CD 3.2Å; P115-P117 CarbonylContact C-O 3.51Å; P115-P117 CarbonylContact O-C 3.56Å; P117-L119 PolarHBondContact O-N 2.95Å
118	P	96.4	Very high	96.5	Very high	76 Å²	76	62.5 Å²	62.5	49%	0.494	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-55.9	137.4	179	-23.4	33.1	0	0	0	111.2	F114	F114-P118 HydrophobicContact CE1-CB 4.2Å; F114-P118 HydrophobicContact CE1-CG 4.23Å; F114-P118 HydrophobicContact CZ-CB 4.46Å
119	L	96.6	Very high	96.4	Very high	28 Å²	28	63.9 Å²	63.9	15%	0.147	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-67.2	135	176.1	-60.3	-180	0	0	0	110.2	F84 V91 A109 P115 P117 L121 L127	F84-L119 HydrophobicContact CE2-CD1 3.94Å; F84-L119 HydrophobicContact CE2-CD2 4.12Å; F84-L119 HydrophobicContact CZ-CD1 3.92Å; V91-L119 HydrophobicContact CB-CD1 4.39Å; V91-L119 HydrophobicContact CB-CD2 4.48Å; V91-L119 HydrophobicContact CG1-CD1 4.04Å; A109-L119 HydrophobicContact CB-CD1 4.44Å; P115-L119 HydrophobicContact CB-CD1 4.39Å; P115-L119 HydrophobicContact CB-CD2 4.23Å; P115-L119 HydrophobicContact CB-CG 3.93Å; P115-L119 HydrophobicContact CG-CD1 3.96Å; P115-L119 HydrophobicContact CG-CG 4.01Å; P117-L119 PolarHBondContact O-N 2.95Å; L119-L121 HydrophobicContact CB-CD2 4.26Å; L119-L121 HydrophobicContact CB-CG 4.1Å; L119-L121 PolarHBondContact O-N 3.23Å; L119-L127 HydrophobicContact CD1-CD1 4.21Å
120	V	95.8	Very high	96.4	Very high	128 Å²	128	65.8 Å²	65.8	78%	0.776	35%	0.35	S	S	*	.			trans	-89.1	95.5	171	-176.5	0	0	0	0	107.6	G92	G92-V120 VanDerWaalsContact CA-O 3.3Å; G92-V120 WeakPolarHBondContact CA-O 3.25Å
121	L	97.1	Very high	96.2	Very high	44 Å²	44	68.2 Å²	68.2	23%	0.23	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-99.1	138.2	179.4	-63.1	-179.8	0	0	0	110.7	V91 L119 A125 L127	V91-L121 HydrophobicContact CG1-CD2 3.85Å; L119-L121 HydrophobicContact CB-CD2 4.26Å; L119-L121 HydrophobicContact CB-CG 4.1Å; L119-L121 PolarHBondContact O-N 3.23Å; L121-A125 HydrophobicContact CB-CB 4.13Å; L121-L127 HydrophobicContact CD1-CB 3.91Å
122	P	96.8	Very high	96.1	Very high	28 Å²	28	73.2 Å²	73.2	18%	0.182	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-70.6	165.4	173.2	30.7	-36.6	0	0	0	112.6	A95 N96 L99 G124 A125	A95-P122 HydrophobicContact CB-CG 3.77Å; N96-P122 WeakPolarHBondContact OD1-CB 3.43Å; N96-P122 WeakPolarHBondContact OD1-CG 3.49Å; L99-P122 HydrophobicContact CD1-CG 3.81Å; P122-G124 PolarHBondContact O-N 3.42Å; P122-A125 HydrophobicContact CG-CB 4.12Å; P122-A125 PolarHBondContact O-N 3.2Å; P122-A125 VanDerWaalsContact O-N 3.1Å
123	E	94	Very high	96	Very high	199 Å²	199	72 Å²	72	93%	0.93	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	133.2	172.6	-168.9	174.5	-174.4	0	0	110.5
124	G	91.2	Very high	95.9	Very high	46 Å²	46	74.4 Å²	74.4	47%	0.474	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.5	-20	-173.9	0	0	0	0	0	114.8	P122	P122-G124 PolarHBondContact O-N 3.42Å
125	A	97.1	Very high	96	Very high	15 Å²	15	74.1 Å²	74.1	12%	0.124	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	141.1	171.4	0	0	0	0	0	111.6	A95 L99 F107 L121 P122	A95-A125 HydrophobicContact CB-CB 3.94Å; L99-A125 HydrophobicContact CD1-CB 3.98Å; F107-A125 HydrophobicContact CB-CB 4.19Å; F107-A125 HydrophobicContact CD1-CB 3.92Å; F107-A125 HydrophobicContact CG-CB 4.34Å; L121-A125 HydrophobicContact CB-CB 4.13Å; P122-A125 HydrophobicContact CG-CB 4.12Å; P122-A125 PolarHBondContact O-N 3.2Å; P122-A125 VanDerWaalsContact O-N 3.1Å
126	R	97.3	Very high	95.9	Very high	126 Å²	126	78.5 Å²	78.5	48%	0.475	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	148.1	179.7	-65.8	-176.4	-69.8	163.2	2.4	111.4	F107 L108 A109 H146	F107-R126 PolarHBondContact O-N 2.91Å; L108-R126 WeakPolarHBondContact CA-O 3.45Å; L108-R126 HydrophobicContact CD1-CB 3.98Å; A109-R126 PolarHBondContact N-O 2.95Å; R126-H146 PolarHBondContact NH2-O 2.98Å
127	L	97.8	Very high	96	Very high	53 Å²	53	73.5 Å²	73.5	28%	0.277	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	129.4	169.1	175.1	64.6	0	0	0	109.4	A109 A111 F114 P115 L119 L121 V129	A109-L127 HydrophobicContact CB-CD1 4.28Å; A109-L127 CarbonylContact O-C 3.06Å; A109-L127 WeakPolarHBondContact O-CA 3.47Å; A111-L127 HydrophobicContact CB-CD1 4.27Å; F114-L127 HydrophobicContact CD2-CD2 4.25Å; F114-L127 HydrophobicContact CE2-CD2 4.12Å; P115-L127 HydrophobicContact CG-CD1 4.26Å; P115-L127 HydrophobicContact CG-CD2 4.31Å; L119-L127 HydrophobicContact CD1-CD1 4.21Å; L121-L127 HydrophobicContact CD1-CB 3.91Å; L127-V129 HydrophobicContact CD2-CG2 4.24Å; L127-V129 HydrophobicContact CG-CG2 4.22Å
128	L	97.8	Very high	96	Very high	4 Å²	4	73.6 Å²	73.6	2%	0.021	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129.6	167.8	176.6	64.8	0	0	0	110	L108 A109 V110 A111 L130 A140 P143	L108-L128 HydrophobicContact CD1-CB 3.89Å; L108-L128 HydrophobicContact CD2-CB 4.28Å; L108-L128 HydrophobicContact CD2-CD2 4.06Å; L108-L128 HydrophobicContact CG-CB 4.17Å; A109-L128 PolarHBondContact O-N 3.26Å; V110-L128 WeakPolarHBondContact CA-O 3.34Å; V110-L128 HydrophobicContact CG1-CD2 4.45Å; V110-L128 HydrophobicContact CG2-CB 4.32Å; V110-L128 HydrophobicContact CG2-CD2 4.39Å; A111-L128 PolarHBondContact N-O 3.43Å; L128-L130 HydrophobicContact CD2-CD2 4.03Å; L128-L130 HydrophobicContact CG-CD2 4.23Å; L128-A140 WeakPolarHBondContact CD1-O 3.48Å; L128-P143 HydrophobicContact CD2-CB 3.75Å
129	V	97.6	Very high	95.9	Very high	33 Å²	33	74.3 Å²	74.3	20%	0.2	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	119.9	174.9	179.2	0	0	0	0	109.4	A111 D112 F114 L127 H141	A111-V129 WeakPolarHBondContact O-CA 3.3Å; D112-V129 WeakPolarHBondContact O-CG1 3.29Å; F114-V129 HydrophobicContact CD2-CG2 4.41Å; L127-V129 HydrophobicContact CD2-CG2 4.24Å; L127-V129 HydrophobicContact CG-CG2 4.22Å; V129-H141 PolarHBondContact O-ND1 2.98Å
130	L	96.9	Very high	95.9	Very high	40 Å²	40	74.3 Å²	74.3	21%	0.209	43%	0.428	C	S	.	.			trans	-79.3	-25.1	-173.9	-58.1	179.8	0	0	0	113.7	V110 A111 L128 H141 P143	V110-L130 HydrophobicContact CG1-CD1 3.77Å; V110-L130 HydrophobicContact CG1-CD2 3.68Å; V110-L130 HydrophobicContact CG1-CG 3.66Å; A111-L130 PolarHBondContact O-N 2.92Å; L128-L130 HydrophobicContact CD2-CD2 4.03Å; L128-L130 HydrophobicContact CG-CD2 4.23Å; L130-H141 WeakPolarHBondContact CD2-O 3.4Å; L130-P143 HydrophobicContact CD2-CG 4.43Å
131	S	95.8	Very high	95.9	Very high	50 Å²	50	69.1 Å²	69.1	35%	0.35	40%	0.396	S	S	.	.	S	Bend	trans	-65.6	127	176.6	-67.3	0	0	0	0	109.9	D112 H141	D112-S131 WeakPolarHBondContact O-CB 3.46Å; D112-S131 PolarHBondContact O-N 2.97Å; D112-S131 PolarHBondContact O-OG 2.87Å; S131-H141 PolarHBondContact O-CE1 3.14Å; S131-H141 PolarHBondContact O-ND1 2.92Å
132	P	94.3	Very high	95.8	Very high	113 Å²	113	73 Å²	73	73%	0.734	41%	0.407	S	S	*	.			trans	-66.3	145.4	-179.1	27.5	-34.3	0	0	0	111.6
133	S	93.9	Very high	95.7	Very high	43 Å²	43	72.3 Å²	72.3	30%	0.301	40%	0.403	S	S	.	.			trans	-114.5	132.1	171.8	-158.9	0	0	0	0	110.9	D135 Q136 H141	S133-D135 VanDerWaalsContact CB-OD1 3.24Å; S133-D135 WeakPolarHBondContact CB-OD1 3.13Å; S133-D135 PolarHBondContact O-N 3.4Å; S133-D135 VanDerWaalsContact O-N 3.09Å; S133-D135 PolarHBondContact OG-OD1 2.99Å; S133-Q136 PolarHBondContact O-N 3.42Å; S133-H141 PolarHBondContact N-CE1 3.47Å; S133-H141 PolarHBondContact N-NE2 2.89Å
134	P	95.6	Very high	95.7	Very high	142 Å²	142	66.5 Å²	66.5	92%	0.922	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-19.6	-177.2	-25.1	34.3	0	0	0	115.6
135	D	96.2	Very high	95.9	Very high	128 Å²	128	68.9 Å²	68.9	68%	0.684	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-3.4	179.7	65.3	-45.3	0	0	0	113.6	S133	S133-D135 VanDerWaalsContact CB-OD1 3.24Å; S133-D135 WeakPolarHBondContact CB-OD1 3.13Å; S133-D135 PolarHBondContact O-N 3.4Å; S133-D135 VanDerWaalsContact O-N 3.09Å; S133-D135 PolarHBondContact OG-OD1 2.99Å
136	Q	96.3	Very high	95.8	Very high	96 Å²	96	70.4 Å²	70.4	45%	0.449	38%	0.377	S	S	.	.	S	Bend	trans	-117.8	149.2	-177.2	-65.5	-169.7	-1.6	0	0	112.1	S133 A140 H141	S133-Q136 PolarHBondContact O-N 3.42Å; Q136-A140 HydrophobicContact CB-CB 4.11Å; Q136-H141 PolarHBondContact OE1-CE1 2.92Å; Q136-H141 VanDerWaalsContact OE1-CE1 3.28Å
137	P	96.8	Very high	95.6	Very high	78 Å²	78	64.6 Å²	64.6	51%	0.506	36%	0.356	S	S	.	.			trans	-71.7	154.3	177.1	32.4	-36.8	0	0	0	111.2	Q139 A140	P137-Q139 PolarHBondContact O-N 3.34Å; P137-Q139 VanDerWaalsContact O-N 3.07Å; P137-A140 HydrophobicContact CG-CB 4.4Å; P137-A140 VanDerWaalsContact O-CB 3.25Å; P137-A140 WeakPolarHBondContact O-CB 3.31Å; P137-A140 PolarHBondContact O-N 3.31Å
138	P	94.3	Very high	95.3	Very high	76 Å²	76	70.5 Å²	70.5	49%	0.494	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-54.9	-32.5	-177.9	-27.5	34.9	0	0	0	114.8	A140 H141 R142	P138-A140 PolarHBondContact O-N 3.13Å; P138-H141 PolarHBondContact O-N 3.34Å; P138-R142 WeakPolarHBondContact O-CG 3.37Å; P138-R142 PolarHBondContact O-N 3.3Å
139	Q	95.5	Very high	95.2	Very high	91 Å²	91	71.1 Å²	71.1	43%	0.425	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-61.9	-26.7	178.7	-62.3	82.8	-7.8	0	0	112.4	P137 H141 R142 F145 H146	P137-Q139 PolarHBondContact O-N 3.34Å; P137-Q139 VanDerWaalsContact O-N 3.07Å; Q139-H141 PolarHBondContact O-N 3.15Å; Q139-R142 PolarHBondContact O-N 2.81Å; Q139-F145 HydrophobicContact CB-CB 4.36Å; Q139-F145 HydrophobicContact CB-CD1 4.07Å; Q139-F145 HydrophobicContact CB-CD2 4.1Å; Q139-F145 HydrophobicContact CB-CE1 4.42Å; Q139-F145 HydrophobicContact CB-CE2 4.45Å; Q139-F145 HydrophobicContact CB-CG 3.89Å; Q139-F145 HydrophobicContact CG-CD1 3.73Å; Q139-F145 HydrophobicContact CG-CD2 4.08Å; Q139-F145 HydrophobicContact CG-CE1 3.6Å; Q139-F145 HydrophobicContact CG-CE2 3.97Å; Q139-F145 HydrophobicContact CG-CG 3.97Å; Q139-F145 HydrophobicContact CG-CZ 3.73Å; Q139-H146 PolarHBondContact O-NE2 2.74Å
140	A	95.9	Very high	95.2	Very high	28 Å²	28	73.4 Å²	73.4	23%	0.231	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-63.8	-23.8	178.2	0	0	0	0	0	112.8	L128 Q136 P137 P138 H146	L128-A140 WeakPolarHBondContact CD1-O 3.48Å; Q136-A140 HydrophobicContact CB-CB 4.11Å; P137-A140 HydrophobicContact CG-CB 4.4Å; P137-A140 VanDerWaalsContact O-CB 3.25Å; P137-A140 WeakPolarHBondContact O-CB 3.31Å; P137-A140 PolarHBondContact O-N 3.31Å; P138-A140 PolarHBondContact O-N 3.13Å; A140-H146 PolarHBondContact O-NE2 2.92Å
141	H	96.1	Very high	95.2	Very high	19 Å²	19	71.5 Å²	71.5	9%	0.088	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-111.9	-3.3	-173.5	-55.4	-67.4	0	0	0	113.8	V129 L130 S131 S133 Q136 P138 Q139	V129-H141 PolarHBondContact O-ND1 2.98Å; L130-H141 WeakPolarHBondContact CD2-O 3.4Å; S131-H141 PolarHBondContact O-CE1 3.14Å; S131-H141 PolarHBondContact O-ND1 2.92Å; S133-H141 PolarHBondContact N-CE1 3.47Å; S133-H141 PolarHBondContact N-NE2 2.89Å; Q136-H141 PolarHBondContact OE1-CE1 2.92Å; Q136-H141 VanDerWaalsContact OE1-CE1 3.28Å; P138-H141 PolarHBondContact O-N 3.34Å; Q139-H141 PolarHBondContact O-N 3.15Å
142	R	94.9	Very high	95.3	Very high	126 Å²	126	69.1 Å²	69.1	48%	0.475	37%	0.368	S	S	.	.			trans	-103.3	111.8	-171.7	-82.8	-178.6	-177.1	-155	5.6	111	P138 Q139 E144 F145 H146	P138-R142 WeakPolarHBondContact O-CG 3.37Å; P138-R142 PolarHBondContact O-N 3.3Å; Q139-R142 PolarHBondContact O-N 2.81Å; R142-E144 VanDerWaalsContact C-OE2 3.29Å; R142-E144 WeakPolarHBondContact CB-OE1 3.15Å; R142-E144 WeakPolarHBondContact CB-OE2 3.11Å; R142-E144 WeakPolarHBondContact CD-OE1 3.43Å; R142-E144 PolarHBondContact O-N 2.9Å; R142-E144 VanDerWaalsContact O-N 3.15Å; R142-F145 HydrophobicContact CB-CD2 3.56Å; R142-F145 HydrophobicContact CB-CE2 3.98Å; R142-F145 PolarHBondContact O-N 3Å; R142-F145 VanDerWaalsContact O-N 3.07Å; R142-H146 PolarHBondContact O-CD2 3.32Å
143	P	95	Very high	95.5	Very high	13 Å²	13	63.8 Å²	63.8	8%	0.084	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-59.6	-28.9	-169.6	26	-36.6	0	0	0	114.5	L128 L130 F145 H146 L147 F240 L246	L128-P143 HydrophobicContact CD2-CB 3.75Å; L130-P143 HydrophobicContact CD2-CG 4.43Å; P143-F145 PolarHBondContact O-N 2.91Å; P143-H146 PolarHBondContact O-N 3.01Å; P143-L147 PolarHBondContact O-N 3.47Å; P143-F240 HydrophobicContact CB-CE1 3.68Å; P143-F240 HydrophobicContact CB-CZ 3.88Å; P143-F240 HydrophobicContact CG-CD1 4.37Å; P143-F240 HydrophobicContact CG-CE1 3.6Å; P143-F240 HydrophobicContact CG-CZ 4.3Å; P143-L246 HydrophobicContact CB-CD1 3.61Å; P143-L246 HydrophobicContact CG-CD1 3.72Å; P143-L246 HydrophobicContact CG-CG 4.48Å
144	E	94.4	Very high	95.7	Very high	76 Å²	76	61.8 Å²	61.8	36%	0.355	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-62.7	-21.3	177.6	67.1	-85.9	-160.8	0	0	113.7	R142 F240	R142-E144 VanDerWaalsContact C-OE2 3.29Å; R142-E144 WeakPolarHBondContact CB-OE1 3.15Å; R142-E144 WeakPolarHBondContact CB-OE2 3.11Å; R142-E144 WeakPolarHBondContact CD-OE1 3.43Å; R142-E144 PolarHBondContact O-N 2.9Å; R142-E144 VanDerWaalsContact O-N 3.15Å; E144-F240 HydrophobicContact CB-CB 4.21Å; E144-F240 HydrophobicContact CB-CD1 4.04Å; E144-F240 HydrophobicContact CB-CD2 3.91Å; E144-F240 HydrophobicContact CB-CE1 4.41Å; E144-F240 HydrophobicContact CB-CE2 4.25Å; E144-F240 HydrophobicContact CB-CG 3.79Å; E144-F240 HydrophobicContact CB-CZ 4.48Å
145	F	95	Very high	95.8	Very high	97 Å²	97	55.2 Å²	55.2	43%	0.425	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-85.4	-13	174.8	-68.7	-87.4	0	0	0	113.3	Q139 R142 P143	Q139-F145 HydrophobicContact CB-CB 4.36Å; Q139-F145 HydrophobicContact CB-CD1 4.07Å; Q139-F145 HydrophobicContact CB-CD2 4.1Å; Q139-F145 HydrophobicContact CB-CE1 4.42Å; Q139-F145 HydrophobicContact CB-CE2 4.45Å; Q139-F145 HydrophobicContact CB-CG 3.89Å; Q139-F145 HydrophobicContact CG-CD1 3.73Å; Q139-F145 HydrophobicContact CG-CD2 4.08Å; Q139-F145 HydrophobicContact CG-CE1 3.6Å; Q139-F145 HydrophobicContact CG-CE2 3.97Å; Q139-F145 HydrophobicContact CG-CG 3.97Å; Q139-F145 HydrophobicContact CG-CZ 3.73Å; R142-F145 HydrophobicContact CB-CD2 3.56Å; R142-F145 HydrophobicContact CB-CE2 3.98Å; R142-F145 PolarHBondContact O-N 3Å; R142-F145 VanDerWaalsContact O-N 3.07Å; P143-F145 PolarHBondContact O-N 2.91Å
146	H	94.8	Very high	95.7	Very high	46 Å²	46	50 Å²	50	21%	0.213	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-13.7	-175.8	-61.9	-86.6	0	0	0	113.3	L108 R126 Q139 A140 R142 P143	L108-H146 HydrophobicContact CD2-CB 3.98Å; R126-H146 PolarHBondContact NH2-O 2.98Å; Q139-H146 PolarHBondContact O-NE2 2.74Å; A140-H146 PolarHBondContact O-NE2 2.92Å; R142-H146 PolarHBondContact O-CD2 3.32Å; P143-H146 PolarHBondContact O-N 3.01Å
147	L	93.4	Very high	95.7	Very high	5 Å²	5	46.6 Å²	46.6	3%	0.026	23%	0.234	C	C	.	.			trans	-117.2	107	179.7	-62.8	178.9	0	0	0	110.1	L80 L108 P143 V152 T236 F240	L80-L147 HydrophobicContact CD1-CD1 3.49Å; L80-L147 VanDerWaalsContact CD1-CD1 3.49Å; L108-L147 HydrophobicContact CB-CD2 4.26Å; L108-L147 HydrophobicContact CD2-CD1 4.44Å; L108-L147 HydrophobicContact CD2-CD2 3.82Å; L108-L147 HydrophobicContact CD2-CG 3.99Å; P143-L147 PolarHBondContact O-N 3.47Å; L147-V152 HydrophobicContact CD1-CG1 4.3Å; L147-V152 HydrophobicContact CD1-CG2 3.74Å; L147-T236 HydrophobicContact CB-CG2 4.49Å; L147-F240 HydrophobicContact CB-CE2 3.96Å; L147-F240 HydrophobicContact CB-CZ 4.31Å; L147-F240 HydrophobicContact CD1-CE2 3.86Å; L147-F240 HydrophobicContact CD1-CZ 3.51Å; L147-F240 HydrophobicContact CG-CE2 4.45Å; L147-F240 HydrophobicContact CG-CZ 4.32Å
148	Q	90.1	Very high	95.5	Very high	177 Å²	177	43.1 Å²	43.1	83%	0.827	21%	0.213	S	C	*	.			trans	-111.2	-3.7	-176.6	-62.8	179.6	-4.3	0	0	113.5
149	T	96.1	Very high	95.4	Very high	17 Å²	17	39.6 Å²	39.6	10%	0.104	19%	0.19	C	C	.	.	S	Bend	trans	-76.2	162.3	179.4	56	0	0	0	0	110.5	P75 S78 P106 F151 T236	P75-T149 VanDerWaalsContact O-CG2 3.26Å; P75-T149 WeakPolarHBondContact O-CG2 3.36Å; S78-T149 VanDerWaalsContact CB-OG1 3.25Å; S78-T149 WeakPolarHBondContact CB-OG1 3.39Å; S78-T149 PolarHBondContact N-OG1 3.09Å; S78-T149 WeakPolarHBondContact OG-CG2 3.47Å; S78-T149 PolarHBondContact OG-OG1 2.82Å; P106-T149 HydrophobicContact CG-CG2 4.06Å; T149-F151 VanDerWaalsContact C-N 3.34Å; T149-F151 PolarHBondContact OG1-O 3.04Å; T149-F151 VanDerWaalsContact OG1-O 3.13Å; T149-T236 VanDerWaalsContact O-CB 3.24Å; T149-T236 WeakPolarHBondContact O-CB 3.41Å; T149-T236 PolarHBondContact O-OG1 3.42Å
150	E	96.9	Very high	95.2	Very high	81 Å²	81	37.4 Å²	37.4	38%	0.379	18%	0.18	S	C	.	.	S	Bend	trans	-68.7	-34.3	-177	-172.4	-178.8	172	0	0	112.5	R76 T236	R76-E150 IonicContact CZ-OE2 3.6Å; R76-E150 IonicContact NE-OE2 2.83Å; R76-E150 PolarHBondContact NE-OE2 3.42Å; R76-E150 IonicContact NH2-OE1 3.45Å; R76-E150 PolarHBondContact NH2-OE1 2.91Å; R76-E150 IonicContact NH2-OE2 3.22Å; R76-E150 PolarHBondContact NH2-OE2 2.64Å; R76-E150 PolarHBondContact O-N 3.45Å; R76-E150 VanDerWaalsContact O-N 3.15Å; E150-T236 VanDerWaalsContact C-OG1 3.32Å; E150-T236 PolarHBondContact O-N 2.78Å; E150-T236 PolarHBondContact O-OG1 2.51Å
151	F	97.9	Very high	95.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	148.6	-179.7	-53.3	-86.1	0	0	0	112.3	R76 V77 S78 T149 I171 L174 E175 L233 I234 R235 T236	R76-F151 PolarHBondContact O-N 3.11Å; V77-F151 CarbonylContact C-O 3.52Å; V77-F151 VanDerWaalsContact CA-O 3.31Å; V77-F151 WeakPolarHBondContact CA-O 3.38Å; V77-F151 HydrophobicContact CG2-CB 4.29Å; S78-F151 PolarHBondContact N-O 3.17Å; T149-F151 VanDerWaalsContact C-N 3.34Å; T149-F151 PolarHBondContact OG1-O 3.04Å; T149-F151 VanDerWaalsContact OG1-O 3.13Å; F151-I171 HydrophobicContact CD2-CD1 4.37Å; F151-I171 HydrophobicContact CD2-CG1 4.06Å; F151-I171 HydrophobicContact CE2-CG1 4.16Å; F151-I171 HydrophobicContact CE2-CG2 3.81Å; F151-I171 HydrophobicContact CZ-CG2 4.03Å; F151-L174 HydrophobicContact CD1-CD2 3.95Å; F151-L174 HydrophobicContact CE1-CD2 3.84Å; F151-E175 HydrophobicContact CZ-CG 4.32Å; F151-L233 HydrophobicContact CB-CD1 3.76Å; F151-L233 HydrophobicContact CB-CG 4.23Å; F151-L233 HydrophobicContact CD1-CD2 4.25Å; F151-L233 HydrophobicContact CD1-CG 4.44Å; F151-L233 HydrophobicContact CG-CD1 4.47Å; F151-L233 HydrophobicContact CG-CD2 4.43Å; F151-I234 WeakPolarHBondContact CA-O 3.39Å; F151-R235 HydrophobicContact CD1-CG 3.93Å; F151-R235 HydrophobicContact CE1-CG 3.71Å; F151-T236 PolarHBondContact N-OG1 3.37Å
152	V	98.3	Very high	94.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.3	169	-179.9	0	0	0	0	108.8	S78 L80 L147 L154 I234 T236 L239	S78-V152 WeakPolarHBondContact O-CA 3.42Å; L80-V152 HydrophobicContact CB-CG1 3.63Å; L80-V152 HydrophobicContact CD1-CG1 4.32Å; L147-V152 HydrophobicContact CD1-CG1 4.3Å; L147-V152 HydrophobicContact CD1-CG2 3.74Å; V152-L154 HydrophobicContact CG1-CD2 3.79Å; V152-L154 HydrophobicContact CG1-CG 4.45Å; V152-I234 HydrophobicContact CB-CG2 4.36Å; V152-I234 PolarHBondContact N-O 3.28Å; V152-I234 PolarHBondContact O-N 2.96Å; V152-T236 HydrophobicContact CG2-CG2 4.28Å; V152-T236 WeakPolarHBondContact CG2-OG1 3.37Å; V152-L239 HydrophobicContact CB-CD2 4.03Å; V152-L239 HydrophobicContact CG1-CD2 4.03Å; V152-L239 HydrophobicContact CG2-CD2 4.04Å
153	L	98	Very high	94.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	107	169.1	-166.8	75.8	0	0	0	108.8	V77 S78 V79 L80 F98 V155 F167 L170 V231 L233	V77-L153 HydrophobicContact CG1-CB 3.77Å; S78-L153 PolarHBondContact O-N 2.85Å; V79-L153 HydrophobicContact CG2-CB 4.5Å; V79-L153 HydrophobicContact CG2-CD2 4.43Å; L80-L153 PolarHBondContact N-O 3Å; F98-L153 HydrophobicContact CE1-CD2 3.95Å; L153-V155 HydrophobicContact CD2-CG2 3.84Å; L153-V155 HydrophobicContact CG-CG2 3.92Å; L153-F167 HydrophobicContact CD2-CD1 4.02Å; L153-F167 HydrophobicContact CD2-CE1 3.42Å; L153-F167 VanDerWaalsContact CD2-CE1 3.42Å; L153-F167 HydrophobicContact CD2-CZ 4.24Å; L153-L170 HydrophobicContact CD1-CD1 3.72Å; L153-V231 HydrophobicContact CD1-CG1 3.41Å; L153-V231 VanDerWaalsContact CD1-CG1 3.41Å; L153-V231 HydrophobicContact CD2-CG1 3.77Å; L153-V231 HydrophobicContact CG-CG1 3.5Å; L153-L233 HydrophobicContact CB-CD1 4.29Å; L153-L233 HydrophobicContact CD1-CB 4.03Å; L153-L233 HydrophobicContact CD1-CD1 3.79Å
154	L	98.3	Very high	93.5	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	117.5	174.7	-55	175.8	0	0	0	108.6	L80 V152 V231 V232 I234 L239 L250 L254	L80-L154 HydrophobicContact CB-CD2 4.23Å; L80-L154 HydrophobicContact CD2-CD2 3.83Å; L80-L154 HydrophobicContact CG-CD2 4.47Å; L80-L154 WeakPolarHBondContact O-CA 3.29Å; V152-L154 HydrophobicContact CG1-CD2 3.79Å; V152-L154 HydrophobicContact CG1-CG 4.45Å; L154-V231 WeakPolarHBondContact O-CA 3.26Å; L154-V232 HydrophobicContact CB-CB 4.27Å; L154-V232 HydrophobicContact CD1-CB 4.38Å; L154-V232 PolarHBondContact N-O 3.13Å; L154-V232 PolarHBondContact O-N 2.81Å; L154-I234 HydrophobicContact CD1-CG2 4.45Å; L154-L239 HydrophobicContact CD2-CD2 4.33Å; L154-L250 HydrophobicContact CB-CD2 4.28Å; L154-L250 HydrophobicContact CD1-CD2 4.29Å; L154-L254 HydrophobicContact CD1-CD2 3.83Å
155	V	96.9	Very high	93.2	Very high	3 Å²	3	48 Å²	48	2%	0.018	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	128.3	-174.5	178.8	0	0	0	0	109.2	V79 L80 V94 F98 L153 V159 V231	V79-V155 HydrophobicContact CG1-CB 4.16Å; V79-V155 HydrophobicContact CG1-CG2 3.71Å; L80-V155 PolarHBondContact O-N 3.09Å; V94-V155 HydrophobicContact CG1-CG1 4.06Å; F98-V155 HydrophobicContact CE1-CG2 4.24Å; F98-V155 HydrophobicContact CE2-CG1 4.06Å; F98-V155 HydrophobicContact CZ-CG1 4.01Å; F98-V155 HydrophobicContact CZ-CG2 3.82Å; L153-V155 HydrophobicContact CD2-CG2 3.84Å; L153-V155 HydrophobicContact CG-CG2 3.92Å; V155-V159 HydrophobicContact CG1-CB 3.82Å; V155-V159 HydrophobicContact CG1-CG1 4.01Å; V155-V159 HydrophobicContact CG1-CG2 4.43Å; V155-V231 HydrophobicContact CG1-CG2 4.48Å; V155-V231 HydrophobicContact CG2-CG1 4.09Å; V155-V231 HydrophobicContact CG2-CG2 4.41Å
156	P	95.1	Very high	93	Very high	19 Å²	19	43.8 Å²	43.8	12%	0.123	21%	0.205	C	C	.	.			trans	-76.1	159.8	171.7	30	-29.2	0	0	0	110.9	V159 V189 D229 A230	P156-V159 HydrophobicContact CG-CG2 3.66Å; P156-V189 HydrophobicContact CG-CG2 4Å; P156-D229 HydrophobicContact CG-CB 4.44Å; P156-A230 WeakPolarHBondContact CD-O 3.19Å
157	D	95.2	Very high	92.8	Very high	24 Å²	24	41.8 Å²	41.8	13%	0.128	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	149.7	177.5	-167.1	22.7	0	0	0	112.8	E83 F84 N89 Y90 V91 V159 L280	E83-D157 WeakPolarHBondContact O-CB 3.5Å; E83-D157 PolarHBondContact O-N 3.33Å; F84-D157 HydrophobicContact CB-CB 3.99Å; N89-D157 WeakPolarHBondContact CA-OD2 3.46Å; N89-D157 WeakPolarHBondContact CB-OD2 3.49Å; Y90-D157 VanDerWaalsContact CA-OD1 3.26Å; Y90-D157 WeakPolarHBondContact CA-OD1 3.48Å; Y90-D157 WeakPolarHBondContact CB-OD1 3.45Å; Y90-D157 VanDerWaalsContact N-CG 3.33Å; Y90-D157 PolarHBondContact N-OD1 3.27Å; Y90-D157 PolarHBondContact N-OD2 3.07Å; V91-D157 PolarHBondContact N-OD1 2.96Å; V91-D157 VanDerWaalsContact N-OD1 3.11Å; D157-V159 VanDerWaalsContact C-N 3.33Å; D157-V159 PolarHBondContact O-N 3.18Å; D157-L280 HydrophobicContact CB-CD1 4.39Å; D157-L280 WeakPolarHBondContact OD2-CD1 3.45Å
158	G	92.7	Very high	92.7	Very high	6 Å²	6	45.8 Å²	45.8	6%	0.062	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	6.6	-179.4	0	0	0	0	0	116.3	V94 A275 H277	V94-G158 VanDerWaalsContact CG2-N 3.34Å; G158-A275 WeakPolarHBondContact O-CA 3.06Å; G158-A275 WeakPolarHBondContact O-CB 3.41Å; G158-H277 PolarHBondContact O-CD2 3.48Å
159	V	93.3	Very high	92.8	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.006	19%	0.193	C	C	.	.			trans	-84.5	134.6	176	169.3	0	0	0	0	112.3	V94 F98 V155 P156 D157 V189 V231 F273	V94-V159 WeakPolarHBondContact CG1-O 3.09Å; V94-V159 WeakPolarHBondContact CG2-O 3.45Å; F98-V159 HydrophobicContact CE2-CG1 4.35Å; F98-V159 HydrophobicContact CZ-CG1 4.5Å; V155-V159 HydrophobicContact CG1-CB 3.82Å; V155-V159 HydrophobicContact CG1-CG1 4.01Å; V155-V159 HydrophobicContact CG1-CG2 4.43Å; P156-V159 HydrophobicContact CG-CG2 3.66Å; D157-V159 VanDerWaalsContact C-N 3.33Å; D157-V159 PolarHBondContact O-N 3.18Å; V159-V189 HydrophobicContact CG2-CB 4.34Å; V159-V189 HydrophobicContact CG2-CG1 3.77Å; V159-V189 HydrophobicContact CG2-CG2 3.54Å; V159-V231 HydrophobicContact CG1-CG2 4.13Å; V159-F273 HydrophobicContact CG1-CB 3.77Å; V159-F273 HydrophobicContact CG1-CD1 3.43Å; V159-F273 VanDerWaalsContact CG1-CD1 3.43Å; V159-F273 HydrophobicContact CG1-CE1 4.27Å; V159-F273 HydrophobicContact CG1-CG 3.81Å
160	E	91.9	Very high	92.8	Very high	46 Å²	46	41.4 Å²	41.4	22%	0.215	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-106.6	140.6	172.8	-65.8	-175	157.8	0	0	112.1	S97 F273 S274 N276 H277	S97-E160 WeakPolarHBondContact OG-CA 3.32Å; E160-F273 WeakPolarHBondContact O-CD1 3.32Å; E160-S274 PolarHBondContact N-O 3.33Å; E160-N276 WeakPolarHBondContact OE2-CB 3.38Å; E160-N276 PolarHBondContact OE2-ND2 3.22Å; E160-H277 IonicContact OE1-CE1 3.24Å; E160-H277 PolarHBondContact OE1-CE1 3.2Å; E160-H277 IonicContact OE1-ND1 2.69Å; E160-H277 IonicContact OE1-NE2 2.78Å; E160-H277 PolarHBondContact OE1-NE2 3.48Å
161	L	92.1	Very high	92.7	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.016	17%	0.173	C	C	.	.			trans	-90.5	102.4	171	179.5	69.5	0	0	0	110	S97 F98 Q101 V166 F167 F273	S97-L161 PolarHBondContact OG-N 2.57Å; F98-L161 HydrophobicContact CD1-CB 4.02Å; F98-L161 HydrophobicContact CD1-CD2 3.81Å; F98-L161 HydrophobicContact CD1-CG 4.4Å; F98-L161 HydrophobicContact CD2-CB 3.88Å; F98-L161 HydrophobicContact CE1-CB 4.05Å; F98-L161 HydrophobicContact CE1-CD1 4.36Å; F98-L161 HydrophobicContact CE1-CD2 4.23Å; F98-L161 HydrophobicContact CE1-CG 4.44Å; F98-L161 HydrophobicContact CE2-CB 3.92Å; F98-L161 HydrophobicContact CG-CB 3.96Å; F98-L161 HydrophobicContact CG-CD2 4.23Å; F98-L161 HydrophobicContact CZ-CB 4.01Å; Q101-L161 HydrophobicContact CB-CD2 3.67Å; Q101-L161 HydrophobicContact CB-CG 4.35Å; Q101-L161 HydrophobicContact CG-CD2 4.03Å; Q101-L161 HydrophobicContact CG-CG 4.17Å; Q101-L161 WeakPolarHBondContact CG-O 3.15Å; L161-V166 HydrophobicContact CD1-CG1 3.63Å; L161-F167 HydrophobicContact CD1-CE2 3.94Å; L161-F167 HydrophobicContact CD1-CZ 4.25Å; L161-F167 HydrophobicContact CD2-CE2 3.53Å; L161-F167 HydrophobicContact CD2-CZ 3.83Å; L161-F167 HydrophobicContact CG-CE2 4.41Å; L161-F273 HydrophobicContact CD1-CE1 3.8Å; L161-F273 HydrophobicContact CD1-CZ 4.38Å
162	E	85.9	Confident	92.6	Very high	105 Å²	105	45.5 Å²	45.5	49%	0.491	21%	0.205	S	C	.	.			trans	-87.2	-41.3	175.2	-65.4	-177.8	-177.3	0	0	112.6	S274 N276	E162-S274 VanDerWaalsContact OE1-CB 3.3Å; E162-S274 WeakPolarHBondContact OE1-CB 2.9Å; E162-S274 PolarHBondContact OE1-OG 3.02Å; E162-N276 PolarHBondContact OE1-ND2 3.32Å; E162-N276 VanDerWaalsContact OE1-ND2 3.15Å
163	Q	85.1	Confident	92.5	Very high	127 Å²	127	48.2 Å²	48.2	59%	0.593	22%	0.218	S	C	*	.			trans	-120.6	106.9	-172.3	-64.6	-174.4	15.7	0	0	111.3	R165 V166	Q163-R165 PolarHBondContact O-N 2.82Å; Q163-V166 WeakPolarHBondContact O-CG1 3.47Å; Q163-V166 PolarHBondContact O-N 2.83Å
164	P	83.1	Confident	92.3	Very high	38 Å²	38	48.3 Å²	48.3	25%	0.247	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.7	-178.7	-20.1	29.2	0	0	0	113.8	Q101 R102 V166 F167	Q101-P164 HydrophobicContact CB-CG 4.08Å; Q101-P164 HydrophobicContact CG-CG 4.41Å; R102-P164 PolarHBondContact NH2-O 3.45Å; P164-V166 PolarHBondContact O-N 3.34Å; P164-V166 VanDerWaalsContact O-N 3.16Å; P164-F167 WeakPolarHBondContact O-CD2 3.36Å
165	R	86.9	Confident	92.2	Very high	212 Å²	212	51.9 Å²	51.9	80%	0.8	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-10.8	-178.6	-65.5	-177.3	179.7	175	0.1	113.8	Q163 F167 E168 R169	Q163-R165 PolarHBondContact O-N 2.82Å; R165-F167 VanDerWaalsContact C-N 3.27Å; R165-F167 PolarHBondContact O-N 2.8Å; R165-E168 WeakPolarHBondContact CA-OE2 3.49Å; R165-E168 PolarHBondContact O-N 2.86Å; R165-R169 PolarHBondContact O-N 3.04Å
166	V	90.3	Very high	92.1	Very high	8 Å²	8	54.9 Å²	54.9	5%	0.048	27%	0.267	C	S	.	.	H	α-helix	trans	-61.7	-34.4	178.5	66	0	0	0	0	112.3	L161 Q163 P164 R169 L170 P271 F273	L161-V166 HydrophobicContact CD1-CG1 3.63Å; Q163-V166 WeakPolarHBondContact O-CG1 3.47Å; Q163-V166 PolarHBondContact O-N 2.83Å; P164-V166 PolarHBondContact O-N 3.34Å; P164-V166 VanDerWaalsContact O-N 3.16Å; V166-R169 PolarHBondContact O-N 3.32Å; V166-L170 HydrophobicContact CG2-CD1 3.99Å; V166-L170 HydrophobicContact CG2-CG 4.25Å; V166-L170 WeakPolarHBondContact O-CB 3.37Å; V166-L170 WeakPolarHBondContact O-CG 3.48Å; V166-L170 PolarHBondContact O-N 3.49Å; V166-P271 HydrophobicContact CB-CG 4.04Å; V166-P271 HydrophobicContact CG2-CG 3.45Å; V166-P271 VanDerWaalsContact CG2-CG 3.45Å; V166-F273 HydrophobicContact CB-CZ 4.44Å; V166-F273 HydrophobicContact CG1-CE1 4.3Å; V166-F273 HydrophobicContact CG1-CE2 4.47Å; V166-F273 HydrophobicContact CG1-CZ 3.71Å; V166-F273 HydrophobicContact CG2-CE2 3.84Å; V166-F273 HydrophobicContact CG2-CZ 3.92Å
167	F	90.8	Very high	92	Very high	3 Å²	3	56.8 Å²	56.8	1%	0.013	27%	0.274	C	S	.	.	H	α-helix	trans	-61.9	-51.7	178.5	-62.4	-79.7	0	0	0	111.4	V77 V79 F98 L105 L153 L161 P164 R165 R169 L170 I171	V77-F167 HydrophobicContact CB-CD1 4.32Å; V77-F167 HydrophobicContact CG1-CD1 4.02Å; V77-F167 HydrophobicContact CG1-CE1 4.23Å; V77-F167 HydrophobicContact CG2-CD1 4.35Å; V79-F167 HydrophobicContact CG2-CE1 4.42Å; F98-F167 AromaticContact CD1-CZ 3.87Å; F98-F167 HydrophobicContact CD1-CZ 3.87Å; F98-F167 HydrophobicContact CE1-CE1 4.35Å; F98-F167 AromaticContact CE1-CZ 3.84Å; F98-F167 HydrophobicContact CE1-CZ 3.84Å; L105-F167 HydrophobicContact CD2-CZ 4.04Å; L153-F167 HydrophobicContact CD2-CD1 4.02Å; L153-F167 HydrophobicContact CD2-CE1 3.42Å; L153-F167 VanDerWaalsContact CD2-CE1 3.42Å; L153-F167 HydrophobicContact CD2-CZ 4.24Å; L161-F167 HydrophobicContact CD1-CE2 3.94Å; L161-F167 HydrophobicContact CD1-CZ 4.25Å; L161-F167 HydrophobicContact CD2-CE2 3.53Å; L161-F167 HydrophobicContact CD2-CZ 3.83Å; L161-F167 HydrophobicContact CG-CE2 4.41Å; P164-F167 WeakPolarHBondContact O-CD2 3.36Å; R165-F167 VanDerWaalsContact C-N 3.27Å; R165-F167 PolarHBondContact O-N 2.8Å; F167-R169 PolarHBondContact O-N 3.15Å; F167-L170 PolarHBondContact O-N 3.31Å; F167-I171 WeakPolarHBondContact O-CB 3.22Å; F167-I171 VanDerWaalsContact O-CG1 3.23Å; F167-I171 WeakPolarHBondContact O-CG1 3.35Å; F167-I171 PolarHBondContact O-N 3.11Å
168	E	91.9	Very high	91.8	Very high	89 Å²	89	57.4 Å²	57.4	42%	0.416	29%	0.286	S	S	.	.	H	α-helix	trans	-62.1	-36.2	-179.5	-69.5	74.1	-161.2	0	0	111.6	R102 R165 K172	R102-E168 IonicContact CZ-OE1 3.67Å; R102-E168 VanDerWaalsContact CZ-OE1 3.26Å; R102-E168 IonicContact NH1-OE1 3.78Å; R102-E168 PolarHBondContact NH1-OE1 2.87Å; R102-E168 IonicContact NH2-OE1 2.77Å; R102-E168 PolarHBondContact NH2-OE1 2.93Å; R102-E168 IonicContact NH2-OE2 3.57Å; R102-E168 PolarHBondContact NH2-OE2 3.37Å; R165-E168 WeakPolarHBondContact CA-OE2 3.49Å; R165-E168 PolarHBondContact O-N 2.86Å; E168-K172 WeakPolarHBondContact O-CB 3.36Å; E168-K172 PolarHBondContact O-N 3.11Å
169	R	93.3	Very high	91.4	Very high	102 Å²	102	60.8 Å²	60.8	39%	0.385	32%	0.321	S	S	.	.	H	α-helix	trans	-66.2	-48.4	176.1	-176.8	163.2	174	-166.4	1.8	111.6	R165 V166 F167 I171 K172 E173 S270	R165-R169 PolarHBondContact O-N 3.04Å; V166-R169 PolarHBondContact O-N 3.32Å; F167-R169 PolarHBondContact O-N 3.15Å; R169-I171 VanDerWaalsContact C-N 3.35Å; R169-I171 PolarHBondContact O-N 3.02Å; R169-K172 PolarHBondContact O-N 2.99Å; R169-E173 WeakPolarHBondContact O-CB 3.48Å; R169-E173 VanDerWaalsContact O-CG 3.3Å; R169-E173 WeakPolarHBondContact O-CG 3.24Å; R169-E173 PolarHBondContact O-N 3.49Å; R169-S270 VanDerWaalsContact NH1-C 3.29Å; R169-S270 PolarHBondContact NH1-O 2.68Å; R169-S270 VanDerWaalsContact NH1-O 3.16Å; R169-S270 PolarHBondContact NH1-OG 2.79Å; R169-S270 VanDerWaalsContact NH1-OG 3.13Å; R169-S270 PolarHBondContact NH2-O 2.82Å; R169-S270 PolarHBondContact NH2-OG 3.29Å; R169-S270 VanDerWaalsContact NH2-OG 3.12Å
170	L	94.6	Very high	91.4	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60	-44.2	177.5	-74	171	0	0	0	112	L153 V166 F167 E173 L174 V185 V187 L233 L268	L153-L170 HydrophobicContact CD1-CD1 3.72Å; V166-L170 HydrophobicContact CG2-CD1 3.99Å; V166-L170 HydrophobicContact CG2-CG 4.25Å; V166-L170 WeakPolarHBondContact O-CB 3.37Å; V166-L170 WeakPolarHBondContact O-CG 3.48Å; V166-L170 PolarHBondContact O-N 3.49Å; F167-L170 PolarHBondContact O-N 3.31Å; L170-E173 PolarHBondContact O-N 2.89Å; L170-L174 WeakPolarHBondContact O-CB 3.47Å; L170-L174 PolarHBondContact O-N 2.92Å; L170-V185 HydrophobicContact CD2-CB 4.19Å; L170-V185 HydrophobicContact CD2-CG1 3.53Å; L170-V187 HydrophobicContact CD2-CG2 3.59Å; L170-V187 HydrophobicContact CG-CG2 4.35Å; L170-L233 HydrophobicContact CB-CB 4.21Å; L170-L233 HydrophobicContact CB-CD2 3.71Å; L170-L233 HydrophobicContact CB-CG 4.45Å; L170-L233 HydrophobicContact CD1-CB 4.38Å; L170-L268 HydrophobicContact CD2-CD1 3.96Å
171	I	95.6	Very high	91.5	Very high	12 Å²	12	63 Å²	63	6%	0.062	34%	0.344	C	S	.	.	H	α-helix	trans	-62	-49.7	177.3	-66.9	165.2	0	0	0	110	V77 F151 F167 R169 E173 L174 E175 L233	V77-I171 HydrophobicContact CG2-CD1 3.61Å; V77-I171 HydrophobicContact CG2-CG1 4.22Å; F151-I171 HydrophobicContact CD2-CD1 4.37Å; F151-I171 HydrophobicContact CD2-CG1 4.06Å; F151-I171 HydrophobicContact CE2-CG1 4.16Å; F151-I171 HydrophobicContact CE2-CG2 3.81Å; F151-I171 HydrophobicContact CZ-CG2 4.03Å; F167-I171 WeakPolarHBondContact O-CB 3.22Å; F167-I171 VanDerWaalsContact O-CG1 3.23Å; F167-I171 WeakPolarHBondContact O-CG1 3.35Å; F167-I171 PolarHBondContact O-N 3.11Å; R169-I171 VanDerWaalsContact C-N 3.35Å; R169-I171 PolarHBondContact O-N 3.02Å; I171-E173 VanDerWaalsContact C-N 3.31Å; I171-E173 PolarHBondContact O-N 2.83Å; I171-L174 PolarHBondContact O-N 2.86Å; I171-E175 HydrophobicContact CG2-CG 4.1Å; I171-E175 WeakPolarHBondContact O-CB 3.11Å; I171-E175 WeakPolarHBondContact O-CG 3.42Å; I171-E175 PolarHBondContact O-N 2.8Å; I171-L233 HydrophobicContact CB-CD2 4.48Å; I171-L233 HydrophobicContact CG1-CD2 3.88Å
172	K	95.6	Very high	91.7	Very high	155 Å²	155	63.1 Å²	63.1	67%	0.674	34%	0.344	S	S	*	.	H	α-helix	trans	-60.3	-41.1	-180	-176.7	-177.6	177.5	-174.9	0	112	E168 R169 G176	E168-K172 WeakPolarHBondContact O-CB 3.36Å; E168-K172 PolarHBondContact O-N 3.11Å; R169-K172 PolarHBondContact O-N 2.99Å; K172-G176 PolarHBondContact O-N 3.22Å
173	E	95.1	Very high	92.3	Very high	57 Å²	57	60.7 Å²	60.7	27%	0.266	33%	0.331	S	S	.	.	H	α-helix	trans	-62.3	-49	175.1	-72.6	-64.7	150.1	0	0	110.9	R169 L170 I171 E175 G176 E177 V185 K266 L268	R169-E173 WeakPolarHBondContact O-CB 3.48Å; R169-E173 VanDerWaalsContact O-CG 3.3Å; R169-E173 WeakPolarHBondContact O-CG 3.24Å; R169-E173 PolarHBondContact O-N 3.49Å; L170-E173 PolarHBondContact O-N 2.89Å; I171-E173 VanDerWaalsContact C-N 3.31Å; I171-E173 PolarHBondContact O-N 2.83Å; E173-E175 PolarHBondContact O-N 3.47Å; E173-G176 PolarHBondContact O-N 3.3Å; E173-E177 WeakPolarHBondContact O-CG 3.4Å; E173-E177 PolarHBondContact O-N 3.32Å; E173-V185 HydrophobicContact CB-CG1 4.22Å; E173-V185 HydrophobicContact CB-CG2 4.23Å; E173-K266 IonicContact OE2-NZ 2.67Å; E173-K266 PolarHBondContact OE2-NZ 3.45Å; E173-L268 HydrophobicContact CG-CD1 4.1Å; E173-L268 HydrophobicContact CG-CD2 4.23Å
174	L	95.6	Very high	92.9	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.016	30%	0.302	C	S	.	.	H	α-helix	trans	-66.2	-39.3	-179.1	-176.7	57.6	0	0	0	112.6	F151 L170 I171 G176 E177 V185 L233 R235	F151-L174 HydrophobicContact CD1-CD2 3.95Å; F151-L174 HydrophobicContact CE1-CD2 3.84Å; L170-L174 WeakPolarHBondContact O-CB 3.47Å; L170-L174 PolarHBondContact O-N 2.92Å; I171-L174 PolarHBondContact O-N 2.86Å; L174-G176 VanDerWaalsContact C-N 3.34Å; L174-E177 PolarHBondContact O-N 3.13Å; L174-V185 HydrophobicContact CB-CG2 3.71Å; L174-V185 HydrophobicContact CD1-CG2 4.08Å; L174-V185 HydrophobicContact CG-CG2 4.43Å; L174-L233 HydrophobicContact CD2-CD2 4.16Å; L174-L233 HydrophobicContact CD2-CG 4.46Å; L174-R235 HydrophobicContact CD2-CG 4.32Å
175	E	95.9	Very high	93.6	Very high	76 Å²	76	52.8 Å²	52.8	36%	0.355	29%	0.291	S	S	.	.	H	α-helix	trans	-67	-36	174.4	-72.9	176.2	160.9	0	0	111.9	R76 F151 I171 E173 E177 G178	R76-E175 IonicContact CZ-OE1 3.25Å; R76-E175 IonicContact NH1-OE1 2.91Å; R76-E175 PolarHBondContact NH1-OE1 3.2Å; R76-E175 IonicContact NH2-OE1 2.69Å; R76-E175 PolarHBondContact NH2-OE1 3.42Å; F151-E175 HydrophobicContact CZ-CG 4.32Å; I171-E175 HydrophobicContact CG2-CG 4.1Å; I171-E175 WeakPolarHBondContact O-CB 3.11Å; I171-E175 WeakPolarHBondContact O-CG 3.42Å; I171-E175 PolarHBondContact O-N 2.8Å; E173-E175 PolarHBondContact O-N 3.47Å; E175-E177 PolarHBondContact O-N 3.32Å; E175-G178 WeakPolarHBondContact O-CA 3.32Å; E175-G178 PolarHBondContact O-N 2.98Å
176	G	94.2	Very high	94	Very high	67 Å²	67	42.7 Å²	42.7	69%	0.691	25%	0.253	S	S	*	.	H	α-helix	trans	-63.5	-27.4	177.5	0	0	0	0	0	113.9	K172 E173 L174 G178	K172-G176 PolarHBondContact O-N 3.22Å; E173-G176 PolarHBondContact O-N 3.3Å; L174-G176 VanDerWaalsContact C-N 3.34Å; G176-G178 PolarHBondContact O-N 3.18Å
177	E	93.1	Very high	94.2	Very high	59 Å²	59	42.3 Å²	42.3	28%	0.276	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-16	172.9	-59.7	-67.9	150.1	0	0	112.6	E173 L174 E175 G179 G180 V182 K266	E173-E177 WeakPolarHBondContact O-CG 3.4Å; E173-E177 PolarHBondContact O-N 3.32Å; L174-E177 PolarHBondContact O-N 3.13Å; E175-E177 PolarHBondContact O-N 3.32Å; E177-G179 PolarHBondContact O-N 3.21Å; E177-G180 PolarHBondContact O-N 3.05Å; E177-V182 HydrophobicContact CB-CB 4.11Å; E177-V182 HydrophobicContact CG-CB 3.81Å; E177-V182 HydrophobicContact CG-CG1 3.84Å; E177-V182 HydrophobicContact CG-CG2 4.46Å; E177-K266 WeakPolarHBondContact OE1-CD 3.47Å; E177-K266 IonicContact OE1-NZ 2.62Å; E177-K266 PolarHBondContact OE1-NZ 3.33Å
178	G	90.2	Very high	94.3	Very high	36 Å²	36	43.2 Å²	43.2	37%	0.371	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	-125.9	176.7	0	0	0	0	0	113.3	E175 G176 G180	E175-G178 WeakPolarHBondContact O-CA 3.32Å; E175-G178 PolarHBondContact O-N 2.98Å; G176-G178 PolarHBondContact O-N 3.18Å; G178-G180 VanDerWaalsContact C-N 3.3Å
179	G	85.4	Confident	94.3	Very high	77 Å²	77	39.2 Å²	39.2	79%	0.794	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	12.8	176.8	0	0	0	0	0	114.5	E177	E177-G179 PolarHBondContact O-N 3.21Å
180	G	92.1	Very high	94.1	Very high	24 Å²	24	39.8 Å²	39.8	25%	0.247	25%	0.248	C	C	.	.	S	Bend	trans	-68.3	179.8	-176.8	0	0	0	0	0	114.7	E177 G178 V182	E177-G180 PolarHBondContact O-N 3.05Å; G178-G180 VanDerWaalsContact C-N 3.3Å; G180-V182 PolarHBondContact O-N 3.28Å
181	P	94.4	Very high	93.5	Very high	70 Å²	70	42.4 Å²	42.4	46%	0.455	26%	0.264	S	S	.	.	S	Bend	trans	-71.1	-19	-179.7	29.7	-35.5	0	0	0	113	R183 W263 K264	P181-R183 PolarHBondContact O-N 3.07Å; P181-W263 CarbonylContact O-C 3.59Å; P181-W263 WeakPolarHBondContact O-CA 3.43Å; P181-K264 HydrophobicContact CB-CD 4.34Å; P181-K264 HydrophobicContact CB-CG 4.34Å; P181-K264 HydrophobicContact CG-CD 4.44Å; P181-K264 PolarHBondContact O-N 3.21Å
182	V	96.7	Very high	92.3	Very high	5 Å²	5	53.2 Å²	53.2	3%	0.03	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	109.9	175.2	180	0	0	0	0	108.5	E177 G180 L184 V222 K264 K266	E177-V182 HydrophobicContact CB-CB 4.11Å; E177-V182 HydrophobicContact CG-CB 3.81Å; E177-V182 HydrophobicContact CG-CG1 3.84Å; E177-V182 HydrophobicContact CG-CG2 4.46Å; G180-V182 PolarHBondContact O-N 3.28Å; V182-L184 WeakPolarHBondContact CG1-O 3.18Å; V182-V222 HydrophobicContact CG2-CG1 3.94Å; V182-V222 HydrophobicContact CG2-CG2 4.4Å; V182-K264 WeakPolarHBondContact CA-O 3.32Å; V182-K264 HydrophobicContact CG2-CB 4.3Å; V182-K266 HydrophobicContact CG1-CB 3.71Å
183	R	97.8	Very high	91.4	Very high	54 Å²	54	49.8 Å²	49.8	20%	0.204	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	-4.7	178.8	-56.8	-62.1	-77	-149.7	-8.3	112.9	P181 D238 W263 K264	P181-R183 PolarHBondContact O-N 3.07Å; R183-D238 IonicContact CZ-OD1 3.39Å; R183-D238 IonicContact CZ-OD2 3.21Å; R183-D238 IonicContact NE-OD1 2.87Å; R183-D238 IonicContact NE-OD2 3.04Å; R183-D238 PolarHBondContact NE-OD2 2.97Å; R183-D238 VanDerWaalsContact NH2-CG 3.34Å; R183-D238 IonicContact NH2-OD1 2.71Å; R183-D238 PolarHBondContact NH2-OD1 3.06Å; R183-D238 IonicContact NH2-OD2 3.2Å; R183-D238 PolarHBondContact NH2-OD2 3.32Å; R183-D238 VanDerWaalsContact NH2-OD2 3.08Å; R183-W263 HydrophobicContact CB-CB 4.21Å; R183-W263 HydrophobicContact CB-CD2 4.03Å; R183-W263 HydrophobicContact CB-CE3 4.09Å; R183-W263 HydrophobicContact CB-CG 4.09Å; R183-W263 HydrophobicContact CG-CB 3.99Å; R183-W263 HydrophobicContact CG-CD2 3.76Å; R183-W263 HydrophobicContact CG-CE3 4.32Å; R183-W263 HydrophobicContact CG-CG 3.57Å; R183-K264 PolarHBondContact N-O 3.18Å
184	L	98.1	Very high	90.8	Very high	0 Å²	0	51 Å²	51	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	140.9	-179.3	-54	92.3	0	0	0	109.3	V182 V232 L233 I234 L254 F255 T258 K264 V265 K266	V182-L184 WeakPolarHBondContact CG1-O 3.18Å; L184-V232 HydrophobicContact CB-CG1 4.1Å; L184-V232 HydrophobicContact CD2-CG1 3.78Å; L184-L233 WeakPolarHBondContact CA-O 3.5Å; L184-I234 HydrophobicContact CD2-CB 4.42Å; L184-I234 HydrophobicContact CD2-CD1 3.91Å; L184-I234 HydrophobicContact CD2-CG1 4.44Å; L184-I234 HydrophobicContact CG-CB 4.4Å; L184-I234 HydrophobicContact CG-CD1 4.03Å; L184-I234 HydrophobicContact CG-CG1 4.22Å; L184-L254 HydrophobicContact CD2-CD1 4.31Å; L184-L254 HydrophobicContact CD2-CD2 3.7Å; L184-L254 HydrophobicContact CD2-CG 4.11Å; L184-F255 HydrophobicContact CD2-CE1 4.42Å; L184-T258 HydrophobicContact CD1-CG2 4.05Å; L184-K264 PolarHBondContact N-O 2.87Å; L184-V265 HydrophobicContact CB-CB 3.98Å; L184-V265 HydrophobicContact CB-CG2 3.87Å; L184-V265 WeakPolarHBondContact O-CA 3.42Å; L184-K266 PolarHBondContact O-N 2.83Å
185	V	97.4	Very high	90.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	132	169.4	-179	0	0	0	0	107.9	L170 E173 L174 L233 K266 L268	L170-V185 HydrophobicContact CD2-CB 4.19Å; L170-V185 HydrophobicContact CD2-CG1 3.53Å; E173-V185 HydrophobicContact CB-CG1 4.22Å; E173-V185 HydrophobicContact CB-CG2 4.23Å; L174-V185 HydrophobicContact CB-CG2 3.71Å; L174-V185 HydrophobicContact CD1-CG2 4.08Å; L174-V185 HydrophobicContact CG-CG2 4.43Å; V185-L233 PolarHBondContact N-O 3.36Å; V185-L233 VanDerWaalsContact N-O 3.09Å; V185-L233 PolarHBondContact O-N 3.09Å; V185-K266 WeakPolarHBondContact CA-O 3.22Å; V185-K266 HydrophobicContact CG2-CB 4.49Å; V185-L268 HydrophobicContact CG1-CD1 3.72Å; V185-L268 HydrophobicContact CG1-CD2 4.08Å; V185-L268 HydrophobicContact CG1-CG 3.72Å
186	A	96.6	Very high	90.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	149.2	-177.4	0	0	0	0	0	111.3	L226 A230 V231 V232 V265 K266 L267 L268	A186-L226 HydrophobicContact CB-CD1 3.4Å; A186-A230 HydrophobicContact CB-CB 4.45Å; A186-V231 CarbonylContact C-O 3.59Å; A186-V231 VanDerWaalsContact CA-O 3.23Å; A186-V231 WeakPolarHBondContact CA-O 3.19Å; A186-V232 HydrophobicContact CB-CG2 4.01Å; A186-V265 HydrophobicContact CB-CG2 3.74Å; A186-K266 PolarHBondContact N-O 3.23Å; A186-L267 HydrophobicContact CB-CD1 4.06Å; A186-L268 PolarHBondContact O-N 3.06Å
187	V	94.6	Very high	90.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.3	173	162.1	0	0	0	0	108.4	L170 A230 V231 L268 P271 F273	L170-V187 HydrophobicContact CD2-CG2 3.59Å; L170-V187 HydrophobicContact CG-CG2 4.35Å; V187-A230 CarbonylContact O-C 3.52Å; V187-A230 WeakPolarHBondContact O-CA 3.3Å; V187-A230 WeakPolarHBondContact O-CB 3.41Å; V187-V231 PolarHBondContact N-O 2.92Å; V187-V231 PolarHBondContact O-N 3.31Å; V187-L268 HydrophobicContact CG2-CB 4.13Å; V187-L268 HydrophobicContact CG2-CD1 3.99Å; V187-L268 HydrophobicContact CG2-CG 4.38Å; V187-P271 WeakPolarHBondContact CG1-O 3.36Å; V187-F273 HydrophobicContact CB-CD2 4.21Å; V187-F273 HydrophobicContact CB-CE2 4.24Å; V187-F273 HydrophobicContact CG1-CD2 3.58Å; V187-F273 HydrophobicContact CG1-CE2 3.97Å
188	P	93.1	Very high	90.5	Very high	22 Å²	22	47.5 Å²	47.5	14%	0.143	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	146.5	178.3	28.4	-35.5	0	0	0	112.1	V195 L268 C272 F273	P188-V195 HydrophobicContact CB-CB 4.14Å; P188-V195 HydrophobicContact CB-CG2 3.74Å; P188-L268 WeakPolarHBondContact CD-O 3.03Å; P188-C272 HydrophobicContact CG-CB 4.47Å; P188-C272 WeakPolarHBondContact O-CA 3.46Å; P188-F273 PolarHBondContact O-N 2.95Å
189	V	91.8	Very high	90.7	Very high	5 Å²	5	50.3 Å²	50.3	3%	0.03	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	128.8	163.8	-174.5	0	0	0	0	107.8	P156 V159 T191 D229 V231 F273 A275	P156-V189 HydrophobicContact CG-CG2 4Å; V159-V189 HydrophobicContact CG2-CB 4.34Å; V159-V189 HydrophobicContact CG2-CG1 3.77Å; V159-V189 HydrophobicContact CG2-CG2 3.54Å; V189-T191 VanDerWaalsContact C-N 3.31Å; V189-T191 HydrophobicContact CB-CG2 4.19Å; V189-T191 HydrophobicContact CG1-CG2 3.7Å; V189-T191 PolarHBondContact O-N 2.89Å; V189-D229 HydrophobicContact CB-CB 3.92Å; V189-D229 WeakPolarHBondContact CB-O 3.43Å; V189-D229 HydrophobicContact CG2-CB 4.12Å; V189-D229 WeakPolarHBondContact CG2-O 3.48Å; V189-D229 PolarHBondContact N-O 3.03Å; V189-V231 HydrophobicContact CG2-CG2 4.21Å; V189-F273 CarbonylContact C-O 3.52Å; V189-F273 WeakPolarHBondContact CA-O 3.3Å; V189-F273 HydrophobicContact CG2-CB 4.2Å; V189-A275 HydrophobicContact CG1-CB 4.11Å
190	L	87.4	Confident	91.3	Very high	114 Å²	114	46.7 Å²	46.7	60%	0.597	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73	85.9	176.4	-63.8	176.3	0	0	0	109.5	C272 F273	L190-C272 HydrophobicContact CD1-CB 3.87Å; L190-C272 HydrophobicContact CD2-CB 3.93Å; L190-C272 HydrophobicContact CG-CB 3.62Å; L190-F273 PolarHBondContact N-O 2.95Å
191	T	81.9	Confident	91.6	Very high	54 Å²	54	53.1 Å²	53.1	33%	0.331	27%	0.271	S	S	.	.	S	Bend	trans	-111.1	-173.6	170.4	74	0	0	0	0	110.1	V189 S193 D229 A275	V189-T191 VanDerWaalsContact C-N 3.31Å; V189-T191 HydrophobicContact CB-CG2 4.19Å; V189-T191 HydrophobicContact CG1-CG2 3.7Å; V189-T191 PolarHBondContact O-N 2.89Å; T191-S193 PolarHBondContact O-N 3.5Å; T191-S193 PolarHBondContact OG1-N 2.94Å; T191-S193 PolarHBondContact OG1-O 3.17Å; T191-D229 HydrophobicContact CG2-CB 4.29Å; T191-A275 HydrophobicContact CG2-CB 4.37Å
192	R	70.4	Confident	91.8	Very high	239 Å²	239	50.8 Å²	50.8	90%	0.902	26%	0.255	S	S	*	.	S	Bend	trans	-64.9	-22.7	176.6	-67.5	-176.5	179.9	178.6	-0	113.1
193	S	76.9	Confident	91.8	Very high	83 Å²	83	52.1 Å²	52.1	58%	0.58	26%	0.262	S	S	*	.	S	Bend	trans	-114.8	121.8	-176.8	-63.5	0	0	0	0	109.7	T191	T191-S193 PolarHBondContact O-N 3.5Å; T191-S193 PolarHBondContact OG1-N 2.94Å; T191-S193 PolarHBondContact OG1-O 3.17Å
194	A	83.9	Confident	91.8	Very high	82 Å²	82	52.5 Å²	52.5	68%	0.678	27%	0.268	S	S	*	.			trans	-66.5	142.3	177.9	0	0	0	0	0	111.4	Q196	A194-Q196 PolarHBondContact O-N 3.32Å
195	V	91	Very high	91.7	Very high	20 Å²	20	55.7 Å²	55.7	12%	0.121	28%	0.282	C	S	.	.			trans	-66.3	129.7	171.1	-177.7	0	0	0	0	109.5	P188 L226 Q227 D229 A230 L267	P188-V195 HydrophobicContact CB-CB 4.14Å; P188-V195 HydrophobicContact CB-CG2 3.74Å; V195-L226 HydrophobicContact CG1-CB 4.26Å; V195-L226 HydrophobicContact CG1-CD2 4.29Å; V195-Q227 CarbonylContact C-O 3.55Å; V195-Q227 WeakPolarHBondContact CA-O 3.33Å; V195-D229 WeakPolarHBondContact CG2-O 3.22Å; V195-A230 HydrophobicContact CG1-CB 4.24Å; V195-A230 HydrophobicContact CG2-CB 4.24Å; V195-L267 HydrophobicContact CB-CD2 4.49Å; V195-L267 HydrophobicContact CG1-CD1 4.17Å; V195-L267 HydrophobicContact CG1-CD2 4.08Å
196	Q	91.7	Very high	91.7	Very high	94 Å²	94	59.3 Å²	59.3	44%	0.439	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	131.3	178.6	-61.1	-179.3	3.1	0	0	110.4	A194 L198 L226 Q227	A194-Q196 PolarHBondContact O-N 3.32Å; Q196-L198 HydrophobicContact CB-CD2 4.33Å; Q196-L226 WeakPolarHBondContact O-CA 3.39Å; Q196-Q227 HydrophobicContact CB-CB 4.41Å; Q196-Q227 PolarHBondContact N-O 3.1Å; Q196-Q227 PolarHBondContact O-N 3.42Å
197	C	93.6	Very high	91.8	Very high	17 Å²	17	60.2 Å²	60.2	12%	0.115	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	124.9	170.6	-173.3	0	0	0	0	108.9	A214 S221 C223 L267	C197-A214 HydrophobicContact CB-CB 4.3Å; C197-A214 VanDerWaalsContact O-CB 3.24Å; C197-A214 WeakPolarHBondContact O-CB 2.9Å; C197-A214 PolarHBondContact O-N 3.34Å; C197-A214 VanDerWaalsContact O-N 3.09Å; C197-S221 WeakPolarHBondContact CB-OG 3.46Å; C197-S221 WeakPolarHBondContact SG-CB 3.41Å; C197-S221 PolarHBondContact SG-OG 3.26Å; C197-C223 WeakPolarHBondContact CA-SG 3.44Å; C197-C223 HydrophobicContact CB-CB 4.06Å; C197-C223 WeakPolarHBondContact CB-SG 3.4Å; C197-C223 WeakPolarHBondContact SG-CB 3.37Å; C197-C223 CovalentContact SG-SG 2.01Å; C197-C223 PolarHBondContact SG-SG 3.44Å; C197-L267 HydrophobicContact CB-CD2 4.31Å
198	L	95	Very high	91.9	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.01	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	147.5	-173.6	-60.2	-179.9	0	0	0	112.2	Q196 Y211 S212 C223 T224 A225 Q227 P313	Q196-L198 HydrophobicContact CB-CD2 4.33Å; L198-Y211 HydrophobicContact CD1-CD1 3.94Å; L198-S212 WeakPolarHBondContact CA-O 3.09Å; L198-C223 WeakPolarHBondContact O-CB 3.38Å; L198-T224 PolarHBondContact O-N 3.49Å; L198-T224 VanDerWaalsContact O-N 3.15Å; L198-T224 PolarHBondContact O-OG1 3.34Å; L198-A225 HydrophobicContact CB-CB 4.31Å; L198-A225 PolarHBondContact N-O 2.92Å; L198-A225 PolarHBondContact O-N 2.91Å; L198-A225 VanDerWaalsContact O-N 3.13Å; L198-Q227 HydrophobicContact CD1-CB 3.62Å; L198-Q227 HydrophobicContact CG-CB 4.36Å; L198-P313 HydrophobicContact CD1-CG 3.91Å; L198-P313 HydrophobicContact CD2-CB 4.36Å; L198-P313 HydrophobicContact CD2-CG 3.82Å
199	H	95.7	Very high	92.2	Very high	95 Å²	95	59.3 Å²	59.3	44%	0.44	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	123	161.8	-174.8	58.8	0	0	0	109.8	Y211 S212 T224	H199-Y211 CarbonylContact O-C 3.53Å; H199-Y211 WeakPolarHBondContact O-CA 3.43Å; H199-S212 PolarHBondContact N-O 3.42Å; H199-S212 PolarHBondContact O-N 2.82Å; H199-S212 PolarHBondContact O-OG 2.97Å; H199-S212 VanDerWaalsContact O-OG 3.13Å; H199-T224 WeakPolarHBondContact CA-OG1 3.23Å
200	L	97.6	Very high	92.5	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	124.5	179.9	173.2	56.7	0	0	0	107.1	V202 A209 T210 Y211 T224 A225 F255 I256 T259	L200-V202 HydrophobicContact CD1-CG2 4.13Å; L200-V202 HydrophobicContact CD2-CG2 4.18Å; L200-V202 HydrophobicContact CG-CG2 3.93Å; L200-A209 HydrophobicContact CD1-CB 4Å; L200-T210 CarbonylContact C-O 3.42Å; L200-T210 WeakPolarHBondContact CA-O 3.28Å; L200-Y211 HydrophobicContact CB-CD1 4.29Å; L200-Y211 HydrophobicContact CB-CE1 4.29Å; L200-Y211 HydrophobicContact CD1-CD1 3.91Å; L200-Y211 HydrophobicContact CD1-CD2 3.92Å; L200-Y211 HydrophobicContact CD1-CE1 3.69Å; L200-Y211 HydrophobicContact CD1-CE2 3.69Å; L200-Y211 HydrophobicContact CD1-CG 4.02Å; L200-Y211 HydrophobicContact CD2-CE1 3.87Å; L200-Y211 HydrophobicContact CG-CD1 4.5Å; L200-Y211 HydrophobicContact CG-CE1 4.16Å; L200-T224 PolarHBondContact N-OG1 2.69Å; L200-A225 HydrophobicContact CB-CB 3.84Å; L200-A225 HydrophobicContact CD2-CB 4.1Å; L200-F255 HydrophobicContact CD2-CB 4.18Å; L200-I256 HydrophobicContact CD2-CG1 4.09Å; L200-T259 HydrophobicContact CG-CG2 4.28Å; L200-T259 WeakPolarHBondContact O-CG2 3.25Å
201	R	98.1	Very high	92.9	Very high	159 Å²	159	57.3 Å²	57.3	60%	0.6	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.7	169.4	-178.4	179	176.2	-174.3	-2.7	108.6	A209 T210	R201-A209 CarbonylContact O-C 3.55Å; R201-A209 WeakPolarHBondContact O-CA 3.42Å; R201-T210 PolarHBondContact N-O 2.92Å; R201-T210 PolarHBondContact O-N 2.81Å
202	V	98.3	Very high	93.6	Very high	21 Å²	21	56.6 Å²	56.6	13%	0.127	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	121.8	176.2	-171.5	0	0	0	0	108.9	L200 L204 A209 I256 T259 L260 L307	L200-V202 HydrophobicContact CD1-CG2 4.13Å; L200-V202 HydrophobicContact CD2-CG2 4.18Å; L200-V202 HydrophobicContact CG-CG2 3.93Å; V202-L204 HydrophobicContact CG1-CD2 4.1Å; V202-A209 HydrophobicContact CG2-CB 4.44Å; V202-I256 HydrophobicContact CG1-CG2 4.25Å; V202-I256 HydrophobicContact CG2-CG2 4.18Å; V202-T259 HydrophobicContact CG2-CG2 4.08Å; V202-L260 HydrophobicContact CB-CD2 3.8Å; V202-L260 HydrophobicContact CB-CG 3.98Å; V202-L260 HydrophobicContact CG1-CD1 4.08Å; V202-L260 HydrophobicContact CG1-CD2 3.79Å; V202-L260 HydrophobicContact CG1-CG 3.97Å; V202-L260 HydrophobicContact CG2-CG 4.47Å; V202-L307 HydrophobicContact CG1-CD2 4.08Å
203	N	97.9	Very high	94.5	Very high	33 Å²	33	49.7 Å²	49.7	18%	0.176	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	97.9	175	-171.2	-15.6	0	0	0	109	K205 E206 W207 T208	N203-K205 VanDerWaalsContact C-N 3.25Å; N203-K205 PolarHBondContact O-N 3.3Å; N203-K205 VanDerWaalsContact OD1-CB 3.23Å; N203-K205 WeakPolarHBondContact OD1-CB 3.49Å; N203-K205 PolarHBondContact OD1-N 3.49Å; N203-K205 VanDerWaalsContact OD1-N 3.1Å; N203-E206 HydrophobicContact CB-CB 4.2Å; N203-E206 WeakPolarHBondContact ND2-CG 3.45Å; N203-E206 PolarHBondContact ND2-OE1 3.45Å; N203-E206 PolarHBondContact ND2-OE2 3.27Å; N203-E206 CarbonylContact O-C 3.54Å; N203-E206 PolarHBondContact O-N 2.85Å; N203-E206 PolarHBondContact OD1-N 3.28Å; N203-W207 PolarHBondContact O-N 3.26Å; N203-T208 PolarHBondContact N-O 2.8Å; N203-T208 PolarHBondContact O-N 3.41Å
204	L	96.8	Very high	94.9	Very high	62 Å²	62	47 Å²	47	33%	0.325	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-29.5	179.2	-64.6	-178.1	0	0	0	112.4	V202 E206 W207 L260 L307 R345	V202-L204 HydrophobicContact CG1-CD2 4.1Å; L204-E206 VanDerWaalsContact C-N 3.27Å; L204-E206 PolarHBondContact O-N 2.86Å; L204-W207 PolarHBondContact O-N 3.05Å; L204-L260 HydrophobicContact CD1-CD1 4.09Å; L204-L260 HydrophobicContact CD1-CD2 4.14Å; L204-L260 HydrophobicContact CD2-CD1 4.22Å; L204-L260 HydrophobicContact CG-CD1 4.29Å; L204-L260 HydrophobicContact CG-CD2 4.01Å; L204-L307 HydrophobicContact CD2-CD2 4.3Å; L204-R345 WeakPolarHBondContact O-CD 3.39Å; L204-R345 WeakPolarHBondContact O-CG 3.26Å
205	K	95.7	Very high	94.3	Very high	67 Å²	67	47.9 Å²	47.9	29%	0.291	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-40.1	176.5	-157.6	-176.9	-161.5	-164.6	0	111	N203 W346 Y516	N203-K205 VanDerWaalsContact C-N 3.25Å; N203-K205 PolarHBondContact O-N 3.3Å; N203-K205 VanDerWaalsContact OD1-CB 3.23Å; N203-K205 WeakPolarHBondContact OD1-CB 3.49Å; N203-K205 PolarHBondContact OD1-N 3.49Å; N203-K205 VanDerWaalsContact OD1-N 3.1Å; K205-W346 HydrophobicContact CD-CD2 3.74Å; K205-W346 HydrophobicContact CD-CE3 4.14Å; K205-W346 HydrophobicContact CD-CG 4.12Å; K205-W346 HydrophobicContact CD-CH2 4.45Å; K205-W346 HydrophobicContact CD-CZ2 4.09Å; K205-W346 HydrophobicContact CD-CZ3 4.46Å; K205-W346 HydrophobicContact CG-CB 4.32Å; K205-W346 HydrophobicContact CG-CD2 3.89Å; K205-W346 HydrophobicContact CG-CE3 4.36Å; K205-W346 HydrophobicContact CG-CG 3.81Å; K205-W346 WeakPolarHBondContact O-CB 3.46Å; K205-W346 PolarHBondContact O-N 3.46Å; K205-Y516 PolarHBondContact NZ-OH 3.49Å
206	E	97.1	Very high	92.7	Very high	75 Å²	75	52.7 Å²	52.7	35%	0.35	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	8.5	178.4	-67.2	170	-173	0	0	113.4	N203 L204 T208 W346 P349	N203-E206 HydrophobicContact CB-CB 4.2Å; N203-E206 WeakPolarHBondContact ND2-CG 3.45Å; N203-E206 PolarHBondContact ND2-OE1 3.45Å; N203-E206 PolarHBondContact ND2-OE2 3.27Å; N203-E206 CarbonylContact O-C 3.54Å; N203-E206 PolarHBondContact O-N 2.85Å; N203-E206 PolarHBondContact OD1-N 3.28Å; L204-E206 VanDerWaalsContact C-N 3.27Å; L204-E206 PolarHBondContact O-N 2.86Å; E206-T208 PolarHBondContact O-N 3.27Å; E206-T208 PolarHBondContact O-OG1 3.25Å; E206-W346 HydrophobicContact CG-CE3 4.08Å; E206-P349 WeakPolarHBondContact O-CD 3.48Å
207	W	98.4	Very high	90.9	Very high	20 Å²	20	50.1 Å²	50.1	8%	0.076	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	28.8	178.8	-42.2	73.4	0	0	0	113.8	N203 L204 L307 K308 R309 L343 R345 W346 P348 P349	N203-W207 PolarHBondContact O-N 3.26Å; L204-W207 PolarHBondContact O-N 3.05Å; W207-L307 CarbonylContact O-C 3.57Å; W207-L307 WeakPolarHBondContact O-CA 3.4Å; W207-K308 HydrophobicContact CB-CB 3.89Å; W207-K308 HydrophobicContact CB-CG 3.73Å; W207-K308 HydrophobicContact CD2-CG 4.16Å; W207-K308 HydrophobicContact CE3-CG 3.87Å; W207-K308 HydrophobicContact CG-CG 4.13Å; W207-K308 PolarHBondContact O-N 3.29Å; W207-R309 PolarHBondContact O-N 2.88Å; W207-L343 HydrophobicContact CH2-CD1 4.08Å; W207-R345 HydrophobicContact CH2-CB 4.46Å; W207-R345 HydrophobicContact CZ2-CB 3.56Å; W207-R345 HydrophobicContact CZ2-CG 4.03Å; W207-W346 PolarHBondContact NE1-O 3.16Å; W207-P348 HydrophobicContact CD2-CG 4.46Å; W207-P348 HydrophobicContact CZ2-CG 4.1Å; W207-P349 HydrophobicContact CB-CG 4.31Å
208	T	98.5	Very high	88.5	Confident	3 Å²	3	55 Å²	55	2%	0.018	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	136.6	-166.6	-63.9	0	0	0	0	111.3	N203 E206 R309 L311	N203-T208 PolarHBondContact N-O 2.8Å; N203-T208 PolarHBondContact O-N 3.41Å; E206-T208 PolarHBondContact O-N 3.27Å; E206-T208 PolarHBondContact O-OG1 3.25Å; T208-R309 WeakPolarHBondContact CA-O 3.4Å; T208-R309 HydrophobicContact CG2-CB 4.41Å; T208-R309 PolarHBondContact OG1-NE 3.27Å; T208-L311 HydrophobicContact CG2-CD1 3.81Å
209	A	98.4	Very high	86.2	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	131.1	164.4	0	0	0	0	0	109.7	L200 R201 V202 Y211 L307 R309 L310 L311	L200-A209 HydrophobicContact CD1-CB 4Å; R201-A209 CarbonylContact O-C 3.55Å; R201-A209 WeakPolarHBondContact O-CA 3.42Å; V202-A209 HydrophobicContact CG2-CB 4.44Å; A209-Y211 HydrophobicContact CB-CE2 4.43Å; A209-L307 HydrophobicContact CB-CD1 4.07Å; A209-R309 PolarHBondContact N-O 2.98Å; A209-L310 HydrophobicContact CB-CD2 3.47Å; A209-L310 VanDerWaalsContact CB-CD2 3.47Å; A209-L310 CarbonylContact O-C 3.56Å; A209-L310 WeakPolarHBondContact O-CA 3.39Å; A209-L311 PolarHBondContact O-N 2.91Å
210	T	98.3	Very high	84.5	Confident	48 Å²	48	55.8 Å²	55.8	29%	0.294	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	118.7	-177.6	-52.7	0	0	0	0	109.6	L200 R201 L311	L200-T210 CarbonylContact C-O 3.42Å; L200-T210 WeakPolarHBondContact CA-O 3.28Å; R201-T210 PolarHBondContact N-O 2.92Å; R201-T210 PolarHBondContact O-N 2.81Å; T210-L311 HydrophobicContact CG2-CB 3.95Å; T210-L311 HydrophobicContact CG2-CD1 4.2Å; T210-L311 WeakPolarHBondContact OG1-CD1 3.25Å
211	Y	96.6	Very high	83.8	Confident	28 Å²	28	56.8 Å²	56.8	11%	0.11	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	137.5	173.8	-65.1	-97	0	0	0	109.3	L198 H199 L200 A209 A225 L311	L198-Y211 HydrophobicContact CD1-CD1 3.94Å; H199-Y211 CarbonylContact O-C 3.53Å; H199-Y211 WeakPolarHBondContact O-CA 3.43Å; L200-Y211 HydrophobicContact CB-CD1 4.29Å; L200-Y211 HydrophobicContact CB-CE1 4.29Å; L200-Y211 HydrophobicContact CD1-CD1 3.91Å; L200-Y211 HydrophobicContact CD1-CD2 3.92Å; L200-Y211 HydrophobicContact CD1-CE1 3.69Å; L200-Y211 HydrophobicContact CD1-CE2 3.69Å; L200-Y211 HydrophobicContact CD1-CG 4.02Å; L200-Y211 HydrophobicContact CD2-CE1 3.87Å; L200-Y211 HydrophobicContact CG-CD1 4.5Å; L200-Y211 HydrophobicContact CG-CE1 4.16Å; A209-Y211 HydrophobicContact CB-CE2 4.43Å; Y211-A225 HydrophobicContact CD1-CB 4.38Å; Y211-A225 HydrophobicContact CE1-CB 4.05Å; Y211-L311 PolarHBondContact N-O 3.47Å
212	S	94.8	Very high	83.5	Confident	40 Å²	40	52.6 Å²	52.6	28%	0.28	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	150.8	178.1	50.5	0	0	0	0	109.7	L198 H199 A214	L198-S212 WeakPolarHBondContact CA-O 3.09Å; H199-S212 PolarHBondContact N-O 3.42Å; H199-S212 PolarHBondContact O-N 2.82Å; H199-S212 PolarHBondContact O-OG 2.97Å; H199-S212 VanDerWaalsContact O-OG 3.13Å; S212-A214 PolarHBondContact O-N 3.33Å
213	P	91.2	Very high	83.4	Confident	94 Å²	94	51.9 Å²	51.9	61%	0.61	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.7	134.2	175.8	-23.7	34.4	0	0	0	111.5	P313	P213-P313 HydrophobicContact CG-CB 4.37Å
214	A	84.9	Confident	83.3	Confident	26 Å²	26	51 Å²	51	22%	0.215	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-83.6	147.2	170.4	0	0	0	0	0	110.5	C197 S212 S216	C197-A214 HydrophobicContact CB-CB 4.3Å; C197-A214 VanDerWaalsContact O-CB 3.24Å; C197-A214 WeakPolarHBondContact O-CB 2.9Å; C197-A214 PolarHBondContact O-N 3.34Å; C197-A214 VanDerWaalsContact O-N 3.09Å; S212-A214 PolarHBondContact O-N 3.33Å; A214-S216 PolarHBondContact O-N 3.39Å
215	A	70.6	Confident	83.4	Confident	100 Å²	100	48.1 Å²	48.1	83%	0.826	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-68.1	129.9	173.6	0	0	0	0	0	110.6	G217	A215-G217 PolarHBondContact O-N 2.72Å
216	S	57.9	Low	83.4	Confident	122 Å²	122	45.3 Å²	45.3	85%	0.853	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-74	119.3	177.4	-54.6	0	0	0	0	110.8	A214	A214-S216 PolarHBondContact O-N 3.39Å
217	G	53.7	Low	83.2	Confident	40 Å²	40	45.2 Å²	45.2	41%	0.412	31%	0.308	S	S	.	.			trans	-104.4	156.1	169.5	0	0	0	0	0	111.8	A215 S219	A215-G217 PolarHBondContact O-N 2.72Å; G217-S219 VanDerWaalsContact C-N 3.33Å; G217-S219 PolarHBondContact O-N 3Å
218	S	42.9	Very low	82.9	Confident	119 Å²	119	45.7 Å²	45.7	83%	0.832	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	12	-170	54	0	0	0	0	116.7
219	S	47.3	Very low	82.6	Confident	102 Å²	102	49.2 Å²	49.2	71%	0.713	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.3	36.1	-175.8	46.1	0	0	0	0	113.4	G217	G217-S219 VanDerWaalsContact C-N 3.33Å; G217-S219 PolarHBondContact O-N 3Å
220	G	59.3	Low	82.4	Confident	12 Å²	12	49.2 Å²	49.2	12%	0.124	34%	0.338	C	S	.	.			trans	84.7	142.1	-165.7	0	0	0	0	0	110.7	L267	G220-L267 CarbonylContact C-O 3.26Å; G220-L267 WeakPolarHBondContact CA-O 3.29Å
221	S	83.5	Confident	82.4	Confident	21 Å²	21	46.9 Å²	46.9	15%	0.147	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	122.4	-175.7	52.6	0	0	0	0	109.7	C197 L267	C197-S221 WeakPolarHBondContact CB-OG 3.46Å; C197-S221 WeakPolarHBondContact SG-CB 3.41Å; C197-S221 PolarHBondContact SG-OG 3.26Å; S221-L267 PolarHBondContact N-O 2.77Å; S221-L267 VanDerWaalsContact N-O 3.1Å; S221-L267 PolarHBondContact O-N 2.85Å
222	V	92.6	Very high	82.4	Confident	71 Å²	71	45.6 Å²	45.6	43%	0.43	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	116.8	174.5	179.5	0	0	0	0	108.5	V182 K264 V265 K266	V182-V222 HydrophobicContact CG2-CG1 3.94Å; V182-V222 HydrophobicContact CG2-CG2 4.4Å; V222-K264 HydrophobicContact CG1-CB 3.78Å; V222-K264 HydrophobicContact CG1-CD 3.64Å; V222-K264 HydrophobicContact CG1-CG 4.32Å; V222-V265 WeakPolarHBondContact CA-O 3.47Å; V222-K266 HydrophobicContact CG2-CB 4.3Å; V222-K266 HydrophobicContact CG2-CG 4.16Å
223	C	94.9	Very high	82.6	Confident	6 Å²	6	43.7 Å²	43.7	4%	0.041	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	179.1	-179.3	10.2	0	0	0	0	111.6	C197 L198 A225 L226 K264 V265	C197-C223 WeakPolarHBondContact CA-SG 3.44Å; C197-C223 HydrophobicContact CB-CB 4.06Å; C197-C223 WeakPolarHBondContact CB-SG 3.4Å; C197-C223 WeakPolarHBondContact SG-CB 3.37Å; C197-C223 CovalentContact SG-SG 2.01Å; C197-C223 PolarHBondContact SG-SG 3.44Å; L198-C223 WeakPolarHBondContact O-CB 3.38Å; C223-A225 WeakPolarHBondContact CB-O 3.4Å; C223-L226 VanDerWaalsContact SG-CD2 3.59Å; C223-K264 CarbonylContact O-C 3.32Å; C223-K264 VanDerWaalsContact O-CA 3.29Å; C223-K264 WeakPolarHBondContact O-CA 3.45Å; C223-K264 WeakPolarHBondContact O-CB 3.3Å; C223-V265 HydrophobicContact CB-CG1 4.31Å; C223-V265 PolarHBondContact N-O 3.39Å; C223-V265 PolarHBondContact O-N 3.43Å
224	T	96.8	Very high	82.9	Confident	16 Å²	16	39.2 Å²	39.2	10%	0.098	28%	0.276	C	S	.	.	S	Bend	trans	-105.2	-16	170.5	49.2	0	0	0	0	112.3	L198 H199 L200 T259 K264	L198-T224 PolarHBondContact O-N 3.49Å; L198-T224 VanDerWaalsContact O-N 3.15Å; L198-T224 PolarHBondContact O-OG1 3.34Å; H199-T224 WeakPolarHBondContact CA-OG1 3.23Å; L200-T224 PolarHBondContact N-OG1 2.69Å; T224-T259 PolarHBondContact O-OG1 3.24Å; T224-K264 HydrophobicContact CG2-CG 4.37Å
225	A	97.3	Very high	83.6	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	160.6	174.8	0	0	0	0	0	111.9	L198 L200 Y211 C223 F255	L198-A225 HydrophobicContact CB-CB 4.31Å; L198-A225 PolarHBondContact N-O 2.92Å; L198-A225 PolarHBondContact O-N 2.91Å; L198-A225 VanDerWaalsContact O-N 3.13Å; L200-A225 HydrophobicContact CB-CB 3.84Å; L200-A225 HydrophobicContact CD2-CB 4.1Å; Y211-A225 HydrophobicContact CD1-CB 4.38Å; Y211-A225 HydrophobicContact CE1-CB 4.05Å; C223-A225 WeakPolarHBondContact CB-O 3.4Å; A225-F255 HydrophobicContact CB-CB 3.77Å; A225-F255 HydrophobicContact CB-CD2 4.02Å; A225-F255 HydrophobicContact CB-CG 3.93Å
226	L	95.9	Very high	84.9	Confident	9 Å²	9	36.5 Å²	36.5	5%	0.047	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	148.5	172.1	-57.5	176	0	0	0	110.6	A186 V195 Q196 C223 A230 V232 F251 F255 V265 L267	A186-L226 HydrophobicContact CB-CD1 3.4Å; V195-L226 HydrophobicContact CG1-CB 4.26Å; V195-L226 HydrophobicContact CG1-CD2 4.29Å; Q196-L226 WeakPolarHBondContact O-CA 3.39Å; C223-L226 VanDerWaalsContact SG-CD2 3.59Å; L226-A230 HydrophobicContact CD1-CB 4.02Å; L226-V232 HydrophobicContact CD1-CG2 4.46Å; L226-F251 HydrophobicContact CB-CD2 4.43Å; L226-F251 HydrophobicContact CB-CE2 4.41Å; L226-F255 HydrophobicContact CB-CE2 3.75Å; L226-F255 HydrophobicContact CB-CZ 3.92Å; L226-F255 HydrophobicContact CD1-CZ 3.96Å; L226-F255 HydrophobicContact CG-CE2 4.16Å; L226-F255 HydrophobicContact CG-CZ 3.81Å; L226-F255 VanDerWaalsContact N-CE2 3.32Å; L226-V265 HydrophobicContact CD1-CG1 4.5Å; L226-V265 HydrophobicContact CD1-CG2 4.02Å; L226-V265 HydrophobicContact CD2-CG1 4.15Å; L226-V265 HydrophobicContact CG-CG1 4Å; L226-V265 HydrophobicContact CG-CG2 4.42Å; L226-L267 HydrophobicContact CD2-CB 4.23Å; L226-L267 HydrophobicContact CD2-CD1 4.43Å; L226-L267 HydrophobicContact CD2-CD2 4.25Å
227	Q	93.7	Very high	86.7	Confident	73 Å²	73	36.5 Å²	36.5	34%	0.341	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.1	169.5	173.5	173.3	-18.1	0	0	109.5	V195 Q196 L198	V195-Q227 CarbonylContact C-O 3.55Å; V195-Q227 WeakPolarHBondContact CA-O 3.33Å; Q196-Q227 HydrophobicContact CB-CB 4.41Å; Q196-Q227 PolarHBondContact N-O 3.1Å; Q196-Q227 PolarHBondContact O-N 3.42Å; L198-Q227 HydrophobicContact CD1-CB 3.62Å; L198-Q227 HydrophobicContact CG-CB 4.36Å
228	G	91.6	Very high	88.8	Confident	30 Å²	30	35 Å²	35	31%	0.309	21%	0.209	S	C	.	.	S	Bend	trans	102.8	-178.9	-171.2	0	0	0	0	0	112.7	F251	G228-F251 VanDerWaalsContact O-CE2 3.28Å; G228-F251 WeakPolarHBondContact O-CE2 3.38Å
229	D	92.2	Very high	91.4	Very high	76 Å²	76	29.3 Å²	29.3	41%	0.406	17%	0.17	S	C	.	.			trans	-85.6	116.2	-172.3	-61.2	-41.4	0	0	0	111.8	P156 V189 T191 V195	P156-D229 HydrophobicContact CG-CB 4.44Å; V189-D229 HydrophobicContact CB-CB 3.92Å; V189-D229 WeakPolarHBondContact CB-O 3.43Å; V189-D229 HydrophobicContact CG2-CB 4.12Å; V189-D229 WeakPolarHBondContact CG2-O 3.48Å; V189-D229 PolarHBondContact N-O 3.03Å; T191-D229 HydrophobicContact CG2-CB 4.29Å; V195-D229 WeakPolarHBondContact CG2-O 3.22Å
230	A	95.2	Very high	93.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	150.8	176.7	0	0	0	0	0	110.7	P156 A186 V187 V195 L226 F251	P156-A230 WeakPolarHBondContact CD-O 3.19Å; A186-A230 HydrophobicContact CB-CB 4.45Å; V187-A230 CarbonylContact O-C 3.52Å; V187-A230 WeakPolarHBondContact O-CA 3.3Å; V187-A230 WeakPolarHBondContact O-CB 3.41Å; V195-A230 HydrophobicContact CG1-CB 4.24Å; V195-A230 HydrophobicContact CG2-CB 4.24Å; L226-A230 HydrophobicContact CD1-CB 4.02Å; A230-F251 HydrophobicContact CB-CE2 4.08Å; A230-F251 HydrophobicContact CB-CZ 4.03Å; A230-F251 WeakPolarHBondContact O-CZ 3.43Å
231	V	96.8	Very high	95.6	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	129.3	165.4	173.9	0	0	0	0	107.9	L153 L154 V155 V159 A186 V187 V189 F273	L153-V231 HydrophobicContact CD1-CG1 3.41Å; L153-V231 VanDerWaalsContact CD1-CG1 3.41Å; L153-V231 HydrophobicContact CD2-CG1 3.77Å; L153-V231 HydrophobicContact CG-CG1 3.5Å; L154-V231 WeakPolarHBondContact O-CA 3.26Å; V155-V231 HydrophobicContact CG1-CG2 4.48Å; V155-V231 HydrophobicContact CG2-CG1 4.09Å; V155-V231 HydrophobicContact CG2-CG2 4.41Å; V159-V231 HydrophobicContact CG1-CG2 4.13Å; A186-V231 CarbonylContact C-O 3.59Å; A186-V231 VanDerWaalsContact CA-O 3.23Å; A186-V231 WeakPolarHBondContact CA-O 3.19Å; V187-V231 PolarHBondContact N-O 2.92Å; V187-V231 PolarHBondContact O-N 3.31Å; V189-V231 HydrophobicContact CG2-CG2 4.21Å; V231-F273 HydrophobicContact CB-CD2 3.7Å; V231-F273 HydrophobicContact CB-CE2 3.6Å; V231-F273 HydrophobicContact CB-CG 4.49Å; V231-F273 HydrophobicContact CB-CZ 4.3Å; V231-F273 HydrophobicContact CG1-CD2 4.3Å; V231-F273 HydrophobicContact CG1-CE2 3.7Å; V231-F273 HydrophobicContact CG1-CZ 4.01Å; V231-F273 HydrophobicContact CG2-CB 4.37Å; V231-F273 HydrophobicContact CG2-CD1 4.22Å; V231-F273 HydrophobicContact CG2-CD2 3.45Å; V231-F273 VanDerWaalsContact CG2-CD2 3.45Å; V231-F273 HydrophobicContact CG2-CE1 4.4Å; V231-F273 HydrophobicContact CG2-CE2 3.7Å; V231-F273 HydrophobicContact CG2-CG 3.76Å; V231-F273 HydrophobicContact CG2-CZ 4.17Å
232	V	98.1	Very high	96.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	122.1	-174	-177.7	0	0	0	0	110.4	L154 L184 A186 L226 F251	L154-V232 HydrophobicContact CB-CB 4.27Å; L154-V232 HydrophobicContact CD1-CB 4.38Å; L154-V232 PolarHBondContact N-O 3.13Å; L154-V232 PolarHBondContact O-N 2.81Å; L184-V232 HydrophobicContact CB-CG1 4.1Å; L184-V232 HydrophobicContact CD2-CG1 3.78Å; A186-V232 HydrophobicContact CB-CG2 4.01Å; L226-V232 HydrophobicContact CD1-CG2 4.46Å; V232-F251 HydrophobicContact CG2-CE1 3.77Å; V232-F251 HydrophobicContact CG2-CZ 3.71Å
233	L	98.3	Very high	96.5	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	132.1	170	-169.2	80.1	0	0	0	110	V77 F151 L153 L170 I171 L174 L184 V185	V77-L233 HydrophobicContact CG1-CD1 4.19Å; F151-L233 HydrophobicContact CB-CD1 3.76Å; F151-L233 HydrophobicContact CB-CG 4.23Å; F151-L233 HydrophobicContact CD1-CD2 4.25Å; F151-L233 HydrophobicContact CD1-CG 4.44Å; F151-L233 HydrophobicContact CG-CD1 4.47Å; F151-L233 HydrophobicContact CG-CD2 4.43Å; L153-L233 HydrophobicContact CB-CD1 4.29Å; L153-L233 HydrophobicContact CD1-CB 4.03Å; L153-L233 HydrophobicContact CD1-CD1 3.79Å; L170-L233 HydrophobicContact CB-CB 4.21Å; L170-L233 HydrophobicContact CB-CD2 3.71Å; L170-L233 HydrophobicContact CB-CG 4.45Å; L170-L233 HydrophobicContact CD1-CB 4.38Å; I171-L233 HydrophobicContact CB-CD2 4.48Å; I171-L233 HydrophobicContact CG1-CD2 3.88Å; L174-L233 HydrophobicContact CD2-CD2 4.16Å; L174-L233 HydrophobicContact CD2-CG 4.46Å; L184-L233 WeakPolarHBondContact CA-O 3.5Å; V185-L233 PolarHBondContact N-O 3.36Å; V185-L233 VanDerWaalsContact N-O 3.09Å; V185-L233 PolarHBondContact O-N 3.09Å
234	I	98.3	Very high	96.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	151.9	174.7	-172.6	171.2	0	0	0	109.6	F151 V152 L154 L184 D238 L239 L254	F151-I234 WeakPolarHBondContact CA-O 3.39Å; V152-I234 HydrophobicContact CB-CG2 4.36Å; V152-I234 PolarHBondContact N-O 3.28Å; V152-I234 PolarHBondContact O-N 2.96Å; L154-I234 HydrophobicContact CD1-CG2 4.45Å; L184-I234 HydrophobicContact CD2-CB 4.42Å; L184-I234 HydrophobicContact CD2-CD1 3.91Å; L184-I234 HydrophobicContact CD2-CG1 4.44Å; L184-I234 HydrophobicContact CG-CB 4.4Å; L184-I234 HydrophobicContact CG-CD1 4.03Å; L184-I234 HydrophobicContact CG-CG1 4.22Å; I234-D238 HydrophobicContact CD1-CB 4.14Å; I234-D238 HydrophobicContact CG1-CB 4Å; I234-L239 HydrophobicContact CD1-CB 4.15Å; I234-L239 HydrophobicContact CG1-CB 4.49Å; I234-L239 HydrophobicContact CG2-CB 3.98Å; I234-L239 HydrophobicContact CG2-CD1 4.45Å; I234-L239 HydrophobicContact CG2-CD2 4.29Å; I234-L239 HydrophobicContact CG2-CG 4.47Å; I234-L254 HydrophobicContact CD1-CD1 4.38Å
235	R	97.9	Very high	96.6	Very high	54 Å²	54	34.3 Å²	34.3	20%	0.204	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	139.1	170.4	-62.4	176.6	178.7	-117.4	-5.7	110	F151 L174 E237 D238 L239	F151-R235 HydrophobicContact CD1-CG 3.93Å; F151-R235 HydrophobicContact CE1-CG 3.71Å; L174-R235 HydrophobicContact CD2-CG 4.32Å; R235-E237 HydrophobicContact CB-CG 3.93Å; R235-E237 WeakPolarHBondContact CD-OE1 3.33Å; R235-E237 IonicContact NH1-OE1 3.56Å; R235-E237 PolarHBondContact O-N 3.21Å; R235-D238 HydrophobicContact CB-CB 4.16Å; R235-D238 PolarHBondContact O-N 3.43Å; R235-D238 VanDerWaalsContact O-N 3.1Å; R235-L239 PolarHBondContact O-N 3.49Å
236	T	97.9	Very high	96.6	Very high	16 Å²	16	34.7 Å²	34.7	10%	0.098	19%	0.192	C	C	.	.	H	α-helix	trans	-58.8	-39.8	179.3	-58	0	0	0	0	111.3	L147 T149 E150 F151 V152 L239 F240	L147-T236 HydrophobicContact CB-CG2 4.49Å; T149-T236 VanDerWaalsContact O-CB 3.24Å; T149-T236 WeakPolarHBondContact O-CB 3.41Å; T149-T236 PolarHBondContact O-OG1 3.42Å; E150-T236 VanDerWaalsContact C-OG1 3.32Å; E150-T236 PolarHBondContact O-N 2.78Å; E150-T236 PolarHBondContact O-OG1 2.51Å; F151-T236 PolarHBondContact N-OG1 3.37Å; V152-T236 HydrophobicContact CG2-CG2 4.28Å; V152-T236 WeakPolarHBondContact CG2-OG1 3.37Å; T236-L239 PolarHBondContact O-N 3.09Å; T236-F240 HydrophobicContact CG2-CD2 3.64Å; T236-F240 HydrophobicContact CG2-CE2 3.66Å; T236-F240 VanDerWaalsContact O-CD2 3.32Å; T236-F240 WeakPolarHBondContact O-CD2 3.43Å; T236-F240 PolarHBondContact O-N 3.5Å
237	E	96.5	Very high	96.7	Very high	121 Å²	121	34.8 Å²	34.8	57%	0.565	20%	0.195	S	C	*	.	H	α-helix	trans	-60.9	-42.9	175.2	67.8	-173.6	165.9	0	0	112.5	R235 N241	R235-E237 HydrophobicContact CB-CG 3.93Å; R235-E237 WeakPolarHBondContact CD-OE1 3.33Å; R235-E237 IonicContact NH1-OE1 3.56Å; R235-E237 PolarHBondContact O-N 3.21Å; E237-N241 WeakPolarHBondContact O-CB 3.32Å; E237-N241 PolarHBondContact O-N 3.04Å
238	D	97.4	Very high	96.9	Very high	8 Å²	8	33.9 Å²	33.9	4%	0.043	19%	0.188	C	C	.	.	H	α-helix	trans	-69.8	-41.7	-178.5	-78.1	-23.5	0	0	0	110.7	R183 I234 R235 N241 W263	R183-D238 IonicContact CZ-OD1 3.39Å; R183-D238 IonicContact CZ-OD2 3.21Å; R183-D238 IonicContact NE-OD1 2.87Å; R183-D238 IonicContact NE-OD2 3.04Å; R183-D238 PolarHBondContact NE-OD2 2.97Å; R183-D238 VanDerWaalsContact NH2-CG 3.34Å; R183-D238 IonicContact NH2-OD1 2.71Å; R183-D238 PolarHBondContact NH2-OD1 3.06Å; R183-D238 IonicContact NH2-OD2 3.2Å; R183-D238 PolarHBondContact NH2-OD2 3.32Å; R183-D238 VanDerWaalsContact NH2-OD2 3.08Å; I234-D238 HydrophobicContact CD1-CB 4.14Å; I234-D238 HydrophobicContact CG1-CB 4Å; R235-D238 HydrophobicContact CB-CB 4.16Å; R235-D238 PolarHBondContact O-N 3.43Å; R235-D238 VanDerWaalsContact O-N 3.1Å; D238-N241 PolarHBondContact O-N 3.17Å; D238-W263 HydrophobicContact CB-CH2 3.77Å; D238-W263 HydrophobicContact CB-CZ3 3.84Å
239	L	98.1	Very high	97.1	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.3	-52.9	177.2	-179.5	61.4	0	0	0	110.8	V152 L154 I234 R235 T236 N241 L242 P245 L246 L254	V152-L239 HydrophobicContact CB-CD2 4.03Å; V152-L239 HydrophobicContact CG1-CD2 4.03Å; V152-L239 HydrophobicContact CG2-CD2 4.04Å; L154-L239 HydrophobicContact CD2-CD2 4.33Å; I234-L239 HydrophobicContact CD1-CB 4.15Å; I234-L239 HydrophobicContact CG1-CB 4.49Å; I234-L239 HydrophobicContact CG2-CB 3.98Å; I234-L239 HydrophobicContact CG2-CD1 4.45Å; I234-L239 HydrophobicContact CG2-CD2 4.29Å; I234-L239 HydrophobicContact CG2-CG 4.47Å; R235-L239 PolarHBondContact O-N 3.49Å; T236-L239 PolarHBondContact O-N 3.09Å; L239-N241 VanDerWaalsContact C-N 3.26Å; L239-N241 PolarHBondContact O-N 3.45Å; L239-L242 HydrophobicContact CD1-CD1 4.43Å; L239-L242 VanDerWaalsContact O-CB 3.24Å; L239-L242 WeakPolarHBondContact O-CB 3.29Å; L239-L242 VanDerWaalsContact O-CG 3.29Å; L239-L242 WeakPolarHBondContact O-CG 3.42Å; L239-L242 PolarHBondContact O-N 2.96Å; L239-L242 VanDerWaalsContact O-N 3.1Å; L239-P245 HydrophobicContact CD1-CB 3.92Å; L239-P245 HydrophobicContact CG-CB 4.1Å; L239-P245 VanDerWaalsContact O-CB 3.3Å; L239-P245 WeakPolarHBondContact O-CB 3.5Å; L239-L246 HydrophobicContact CD2-CD2 4.48Å; L239-L254 HydrophobicContact CD1-CD1 4.25Å
240	F	97.3	Very high	97.4	Very high	44 Å²	44	29.8 Å²	29.8	19%	0.193	16%	0.16	C	C	.	.	H	α-helix	trans	-81	-3.4	-176.1	-63.9	-54.5	0	0	0	114.7	P143 E144 L147 T236 L242 P245	P143-F240 HydrophobicContact CB-CE1 3.68Å; P143-F240 HydrophobicContact CB-CZ 3.88Å; P143-F240 HydrophobicContact CG-CD1 4.37Å; P143-F240 HydrophobicContact CG-CE1 3.6Å; P143-F240 HydrophobicContact CG-CZ 4.3Å; E144-F240 HydrophobicContact CB-CB 4.21Å; E144-F240 HydrophobicContact CB-CD1 4.04Å; E144-F240 HydrophobicContact CB-CD2 3.91Å; E144-F240 HydrophobicContact CB-CE1 4.41Å; E144-F240 HydrophobicContact CB-CE2 4.25Å; E144-F240 HydrophobicContact CB-CG 3.79Å; E144-F240 HydrophobicContact CB-CZ 4.48Å; L147-F240 HydrophobicContact CB-CE2 3.96Å; L147-F240 HydrophobicContact CB-CZ 4.31Å; L147-F240 HydrophobicContact CD1-CE2 3.86Å; L147-F240 HydrophobicContact CD1-CZ 3.51Å; L147-F240 HydrophobicContact CG-CE2 4.45Å; L147-F240 HydrophobicContact CG-CZ 4.32Å; T236-F240 HydrophobicContact CG2-CD2 3.64Å; T236-F240 HydrophobicContact CG2-CE2 3.66Å; T236-F240 VanDerWaalsContact O-CD2 3.32Å; T236-F240 WeakPolarHBondContact O-CD2 3.43Å; T236-F240 PolarHBondContact O-N 3.5Å; F240-L242 VanDerWaalsContact C-N 3.26Å; F240-P245 HydrophobicContact CD1-CB 4.21Å; F240-P245 HydrophobicContact CD1-CG 4.05Å; F240-P245 HydrophobicContact CE1-CG 4.41Å
241	N	96.8	Very high	97.5	Very high	107 Å²	107	31.3 Å²	31.3	57%	0.572	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-1.1	164.6	-165.4	31.5	0	0	0	112.8	E237 D238 L239 R261	E237-N241 WeakPolarHBondContact O-CB 3.32Å; E237-N241 PolarHBondContact O-N 3.04Å; D238-N241 PolarHBondContact O-N 3.17Å; L239-N241 VanDerWaalsContact C-N 3.26Å; L239-N241 PolarHBondContact O-N 3.45Å; N241-R261 PolarHBondContact O-NH2 2.79Å
242	L	98.1	Very high	97.6	Very high	9 Å²	9	32.9 Å²	32.9	5%	0.047	18%	0.177	C	C	.	.	S	Bend	trans	-81.5	150	168.5	-55.1	-177.4	0	0	0	110.7	L239 F240 P245 L254 Q257 T258 R261 W263	L239-L242 HydrophobicContact CD1-CD1 4.43Å; L239-L242 VanDerWaalsContact O-CB 3.24Å; L239-L242 WeakPolarHBondContact O-CB 3.29Å; L239-L242 VanDerWaalsContact O-CG 3.29Å; L239-L242 WeakPolarHBondContact O-CG 3.42Å; L239-L242 PolarHBondContact O-N 2.96Å; L239-L242 VanDerWaalsContact O-N 3.1Å; F240-L242 VanDerWaalsContact C-N 3.26Å; L242-P245 HydrophobicContact CB-CB 4.31Å; L242-L254 HydrophobicContact CD1-CD1 3.52Å; L242-Q257 HydrophobicContact CD1-CB 4.5Å; L242-Q257 HydrophobicContact CD2-CB 4.11Å; L242-T258 HydrophobicContact CD1-CG2 4.33Å; L242-R261 VanDerWaalsContact CD2-CZ 3.43Å; L242-W263 HydrophobicContact CD2-CH2 4.25Å; L242-W263 HydrophobicContact CD2-CZ3 3.85Å
243	S	97.3	Very high	97.6	Very high	104 Å²	104	32.9 Å²	32.9	73%	0.727	18%	0.177	S	C	*	.	S	Bend	trans	-74.3	-32.5	-179.1	-178.2	0	0	0	0	112.2
244	V	97.5	Very high	97.6	Very high	49 Å²	49	32.9 Å²	32.9	30%	0.297	18%	0.177	S	C	.	.	S	Bend	trans	-133.7	70.4	179.8	-170.9	0	0	0	0	108.4	L246 Q257 F305	V244-L246 VanDerWaalsContact C-N 3.31Å; V244-L246 PolarHBondContact O-N 3.16Å; V244-Q257 PolarHBondContact O-NE2 3.05Å; V244-F305 HydrophobicContact CB-CE1 3.94Å; V244-F305 HydrophobicContact CB-CZ 4.19Å; V244-F305 HydrophobicContact CG2-CE1 3.76Å; V244-F305 HydrophobicContact CG2-CZ 4.5Å
245	P	97.1	Very high	97.6	Very high	20 Å²	20	33 Å²	33	13%	0.13	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-31	-168.1	25.6	-35.3	0	0	0	113.9	L239 F240 L242	L239-P245 HydrophobicContact CD1-CB 3.92Å; L239-P245 HydrophobicContact CG-CB 4.1Å; L239-P245 VanDerWaalsContact O-CB 3.3Å; L239-P245 WeakPolarHBondContact O-CB 3.5Å; F240-P245 HydrophobicContact CD1-CB 4.21Å; F240-P245 HydrophobicContact CD1-CG 4.05Å; F240-P245 HydrophobicContact CE1-CG 4.41Å; L242-P245 HydrophobicContact CB-CB 4.31Å
246	L	97.3	Very high	97.6	Very high	9 Å²	9	30.5 Å²	30.5	5%	0.047	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	29.3	-176.4	-54.4	-177.9	0	0	0	112.3	L80 R82 V110 P143 L239 V244 L250	L80-L246 HydrophobicContact CD1-CD1 3.95Å; L80-L246 HydrophobicContact CD1-CD2 3.88Å; L80-L246 HydrophobicContact CD2-CD2 3.79Å; R82-L246 HydrophobicContact CG-CB 4.48Å; R82-L246 PolarHBondContact NE-O 3.4Å; R82-L246 PolarHBondContact NH2-O 3.09Å; V110-L246 HydrophobicContact CG1-CD1 3.98Å; V110-L246 HydrophobicContact CG2-CD1 4.33Å; P143-L246 HydrophobicContact CB-CD1 3.61Å; P143-L246 HydrophobicContact CG-CD1 3.72Å; P143-L246 HydrophobicContact CG-CG 4.48Å; L239-L246 HydrophobicContact CD2-CD2 4.48Å; V244-L246 VanDerWaalsContact C-N 3.31Å; V244-L246 PolarHBondContact O-N 3.16Å; L246-L250 HydrophobicContact CD2-CD1 4.47Å
247	G	97.3	Very high	97.7	Very high	11 Å²	11	30.2 Å²	30.2	11%	0.113	17%	0.166	C	C	.	.			trans	-62.6	154.3	174.8	0	0	0	0	0	111.8	P249 L250 A253	G247-P249 CarbonylContact O-C 3.5Å; G247-L250 WeakPolarHBondContact O-CA 3.1Å; G247-L250 PolarHBondContact O-N 3.42Å; G247-A253 WeakPolarHBondContact O-CB 3.23Å
248	R	97.3	Very high	97.8	Very high	53 Å²	53	24.5 Å²	24.5	20%	0.2	14%	0.139	C	C	.	.	S	Bend	trans	-111.6	138.2	177.9	-62.1	-171.4	74.8	-164.7	-1.8	111.6	R82 E83 F84 E85 A297 L301	R82-R248 VanDerWaalsContact CZ-CD 3.49Å; R82-R248 VanDerWaalsContact NH2-CG 3.31Å; E83-R248 WeakPolarHBondContact OE1-CG 3.46Å; E83-R248 IonicContact OE1-NE 3.56Å; E83-R248 IonicContact OE2-CZ 3.79Å; E83-R248 IonicContact OE2-NE 3.16Å; E83-R248 PolarHBondContact OE2-NE 3.38Å; E83-R248 IonicContact OE2-NH2 3.99Å; E83-R248 PolarHBondContact OE2-NH2 3.05Å; F84-R248 PolarHBondContact O-NH2 3.13Å; E85-R248 IonicContact OE1-CZ 3.6Å; E85-R248 IonicContact OE1-NH1 3.34Å; E85-R248 PolarHBondContact OE1-NH1 3.22Å; E85-R248 IonicContact OE1-NH2 3.67Å; E85-R248 PolarHBondContact OE1-NH2 2.6Å; R248-A297 HydrophobicContact CB-CB 4.23Å; R248-L301 WeakPolarHBondContact O-CB 3.02Å
249	P	97.5	Very high	97.8	Very high	13 Å²	13	25.1 Å²	25.1	8%	0.084	14%	0.143	C	C	.	.	S	Bend	cis	-71.8	141.4	-3.5	-12.5	29	0	0	0	111.4	E83 G247 F251 P252 A253 L294 T298	E83-P249 VanDerWaalsContact OE1-CA 3.29Å; E83-P249 WeakPolarHBondContact OE1-CA 3.07Å; G247-P249 CarbonylContact O-C 3.5Å; P249-F251 PolarHBondContact O-N 2.87Å; P249-P252 HydrophobicContact CB-CG 4.06Å; P249-P252 HydrophobicContact CG-CG 4.36Å; P249-P252 WeakPolarHBondContact O-CD 3.43Å; P249-A253 WeakPolarHBondContact O-CB 3.24Å; P249-A253 PolarHBondContact O-N 2.73Å; P249-L294 HydrophobicContact CB-CD1 3.95Å; P249-L294 HydrophobicContact CG-CD1 3.53Å; P249-T298 WeakPolarHBondContact CG-OG1 3.48Å
250	L	97.8	Very high	97.8	Very high	7 Å²	7	29 Å²	29	4%	0.037	16%	0.163	C	C	.	.	H	α-helix	trans	-56.3	-47.7	-167.4	-179.1	66.1	0	0	0	113	R82 E83 L154 L246 G247 A253 L254	R82-L250 HydrophobicContact CB-CD2 4.22Å; R82-L250 HydrophobicContact CG-CD1 4.3Å; E83-L250 HydrophobicContact CG-CB 3.58Å; E83-L250 WeakPolarHBondContact OE1-CB 3.38Å; E83-L250 PolarHBondContact OE1-N 3.37Å; L154-L250 HydrophobicContact CB-CD2 4.28Å; L154-L250 HydrophobicContact CD1-CD2 4.29Å; L246-L250 HydrophobicContact CD2-CD1 4.47Å; G247-L250 WeakPolarHBondContact O-CA 3.1Å; G247-L250 PolarHBondContact O-N 3.42Å; L250-A253 PolarHBondContact O-N 3.2Å; L250-L254 WeakPolarHBondContact O-CB 3.43Å; L250-L254 PolarHBondContact O-N 2.78Å
251	F	97.6	Very high	97.8	Very high	32 Å²	32	31.4 Å²	31.4	14%	0.14	17%	0.171	C	C	.	.	H	α-helix	trans	-66.3	-51.7	-177.5	-79.1	8.9	0	0	0	112.7	L226 G228 A230 V232 P249 A253 L254 F255	L226-F251 HydrophobicContact CB-CD2 4.43Å; L226-F251 HydrophobicContact CB-CE2 4.41Å; G228-F251 VanDerWaalsContact O-CE2 3.28Å; G228-F251 WeakPolarHBondContact O-CE2 3.38Å; A230-F251 HydrophobicContact CB-CE2 4.08Å; A230-F251 HydrophobicContact CB-CZ 4.03Å; A230-F251 WeakPolarHBondContact O-CZ 3.43Å; V232-F251 HydrophobicContact CG2-CE1 3.77Å; V232-F251 HydrophobicContact CG2-CZ 3.71Å; P249-F251 PolarHBondContact O-N 2.87Å; F251-A253 VanDerWaalsContact C-N 3.29Å; F251-A253 PolarHBondContact O-N 2.83Å; F251-L254 PolarHBondContact O-N 3.1Å; F251-F255 HydrophobicContact CB-CD2 3.81Å; F251-F255 HydrophobicContact CB-CE2 3.61Å; F251-F255 HydrophobicContact CD1-CE2 4.06Å; F251-F255 HydrophobicContact CD1-CZ 4.47Å; F251-F255 AromaticContact CD2-CE2 3.83Å; F251-F255 HydrophobicContact CD2-CE2 3.83Å; F251-F255 HydrophobicContact CE2-CE2 4.49Å; F251-F255 HydrophobicContact CG-CD2 4.28Å; F251-F255 AromaticContact CG-CE2 3.56Å; F251-F255 HydrophobicContact CG-CE2 3.56Å; F251-F255 HydrophobicContact CG-CZ 4.35Å; F251-F255 WeakPolarHBondContact O-CB 3.24Å; F251-F255 WeakPolarHBondContact O-CD2 3.47Å; F251-F255 WeakPolarHBondContact O-CG 3.38Å; F251-F255 PolarHBondContact O-N 3.41Å
252	P	97.8	Very high	97.8	Very high	33 Å²	33	28.6 Å²	28.6	21%	0.214	17%	0.168	C	C	.	.	H	α-helix	trans	-51.6	-45.5	168.8	-29.5	34.5	0	0	0	113.5	P249 L254 I256 L301 M302	P249-P252 HydrophobicContact CB-CG 4.06Å; P249-P252 HydrophobicContact CG-CG 4.36Å; P249-P252 WeakPolarHBondContact O-CD 3.43Å; P252-L254 PolarHBondContact O-N 3.08Å; P252-I256 VanDerWaalsContact O-CB 3.32Å; P252-I256 WeakPolarHBondContact O-CB 3.47Å; P252-I256 VanDerWaalsContact O-CD1 3.26Å; P252-I256 WeakPolarHBondContact O-CD1 3.44Å; P252-I256 WeakPolarHBondContact O-CG1 3.12Å; P252-I256 PolarHBondContact O-N 3.33Å; P252-I256 VanDerWaalsContact O-N 3.15Å; P252-L301 HydrophobicContact CB-CD2 3.86Å; P252-M302 HydrophobicContact CB-CE 4.08Å
253	A	98.3	Very high	97.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62.2	-46.3	-179.6	0	0	0	0	0	111.8	G247 P249 L250 F251 Q257 L301	G247-A253 WeakPolarHBondContact O-CB 3.23Å; P249-A253 WeakPolarHBondContact O-CB 3.24Å; P249-A253 PolarHBondContact O-N 2.73Å; L250-A253 PolarHBondContact O-N 3.2Å; F251-A253 VanDerWaalsContact C-N 3.29Å; F251-A253 PolarHBondContact O-N 2.83Å; A253-Q257 WeakPolarHBondContact O-CG 3.49Å; A253-Q257 PolarHBondContact O-NE2 2.95Å; A253-L301 HydrophobicContact CB-CD1 3.81Å; A253-L301 HydrophobicContact CB-CD2 3.85Å
254	L	98.6	Very high	97.8	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65	-60	178.4	-176.1	64	0	0	0	110.6	L154 L184 I234 L239 L242 L250 F251 P252 I256 Q257 T258	L154-L254 HydrophobicContact CD1-CD2 3.83Å; L184-L254 HydrophobicContact CD2-CD1 4.31Å; L184-L254 HydrophobicContact CD2-CD2 3.7Å; L184-L254 HydrophobicContact CD2-CG 4.11Å; I234-L254 HydrophobicContact CD1-CD1 4.38Å; L239-L254 HydrophobicContact CD1-CD1 4.25Å; L242-L254 HydrophobicContact CD1-CD1 3.52Å; L250-L254 WeakPolarHBondContact O-CB 3.43Å; L250-L254 PolarHBondContact O-N 2.78Å; F251-L254 PolarHBondContact O-N 3.1Å; P252-L254 PolarHBondContact O-N 3.08Å; L254-I256 PolarHBondContact O-N 3.47Å; L254-Q257 PolarHBondContact O-N 2.97Å; L254-T258 HydrophobicContact CD1-CG2 4Å; L254-T258 HydrophobicContact CG-CG2 4.22Å; L254-T258 WeakPolarHBondContact O-CG2 3.12Å; L254-T258 PolarHBondContact O-N 3.37Å; L254-T258 PolarHBondContact O-OG1 3.49Å
255	F	98.6	Very high	97.8	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.009	14%	0.141	C	C	.	.	H	α-helix	trans	-68.7	-30.3	-168.2	-63.5	-50	0	0	0	114.2	L184 L200 A225 L226 F251 Q257 T258 T259 V265	L184-F255 HydrophobicContact CD2-CE1 4.42Å; L200-F255 HydrophobicContact CD2-CB 4.18Å; A225-F255 HydrophobicContact CB-CB 3.77Å; A225-F255 HydrophobicContact CB-CD2 4.02Å; A225-F255 HydrophobicContact CB-CG 3.93Å; L226-F255 HydrophobicContact CB-CE2 3.75Å; L226-F255 HydrophobicContact CB-CZ 3.92Å; L226-F255 HydrophobicContact CD1-CZ 3.96Å; L226-F255 HydrophobicContact CG-CE2 4.16Å; L226-F255 HydrophobicContact CG-CZ 3.81Å; L226-F255 VanDerWaalsContact N-CE2 3.32Å; F251-F255 HydrophobicContact CB-CD2 3.81Å; F251-F255 HydrophobicContact CB-CE2 3.61Å; F251-F255 HydrophobicContact CD1-CE2 4.06Å; F251-F255 HydrophobicContact CD1-CZ 4.47Å; F251-F255 AromaticContact CD2-CE2 3.83Å; F251-F255 HydrophobicContact CD2-CE2 3.83Å; F251-F255 HydrophobicContact CE2-CE2 4.49Å; F251-F255 HydrophobicContact CG-CD2 4.28Å; F251-F255 AromaticContact CG-CE2 3.56Å; F251-F255 HydrophobicContact CG-CE2 3.56Å; F251-F255 HydrophobicContact CG-CZ 4.35Å; F251-F255 WeakPolarHBondContact O-CB 3.24Å; F251-F255 WeakPolarHBondContact O-CD2 3.47Å; F251-F255 WeakPolarHBondContact O-CG 3.38Å; F251-F255 PolarHBondContact O-N 3.41Å; F255-Q257 VanDerWaalsContact C-N 3.33Å; F255-T258 VanDerWaalsContact CA-OG1 3.31Å; F255-T258 WeakPolarHBondContact CA-OG1 3.45Å; F255-T258 PolarHBondContact O-OG1 3.12Å; F255-T259 WeakPolarHBondContact O-CB 3.29Å; F255-T259 PolarHBondContact O-N 2.86Å; F255-T259 PolarHBondContact O-OG1 2.84Å; F255-V265 HydrophobicContact CE1-CB 4.17Å; F255-V265 HydrophobicContact CE1-CG1 3.97Å; F255-V265 HydrophobicContact CE1-CG2 4.47Å
256	I	98.7	Very high	97.7	Very high	2 Å²	2	27 Å²	27	1%	0.01	14%	0.141	C	C	.	.	H	α-helix	trans	-62.1	-45	171.7	-71	165	0	0	0	110.1	L200 V202 P252 L254 L260 M302 F305 L307	L200-I256 HydrophobicContact CD2-CG1 4.09Å; V202-I256 HydrophobicContact CG1-CG2 4.25Å; V202-I256 HydrophobicContact CG2-CG2 4.18Å; P252-I256 VanDerWaalsContact O-CB 3.32Å; P252-I256 WeakPolarHBondContact O-CB 3.47Å; P252-I256 VanDerWaalsContact O-CD1 3.26Å; P252-I256 WeakPolarHBondContact O-CD1 3.44Å; P252-I256 WeakPolarHBondContact O-CG1 3.12Å; P252-I256 PolarHBondContact O-N 3.33Å; P252-I256 VanDerWaalsContact O-N 3.15Å; L254-I256 PolarHBondContact O-N 3.47Å; I256-L260 HydrophobicContact CG2-CD1 4.25Å; I256-L260 WeakPolarHBondContact O-CG 3.28Å; I256-L260 PolarHBondContact O-N 3.22Å; I256-M302 HydrophobicContact CD1-CE 3.94Å; I256-M302 HydrophobicContact CD1-SD 4.02Å; I256-F305 HydrophobicContact CB-CD2 4.11Å; I256-F305 HydrophobicContact CB-CE2 3.97Å; I256-F305 HydrophobicContact CD1-CD2 4.03Å; I256-F305 HydrophobicContact CD1-CE2 4.3Å; I256-F305 HydrophobicContact CG2-CD2 3.63Å; I256-F305 HydrophobicContact CG2-CE2 3.89Å; I256-L307 HydrophobicContact CD1-CD1 3.66Å; I256-L307 HydrophobicContact CG1-CD1 4.33Å; I256-L307 HydrophobicContact CG2-CD1 4.09Å
257	Q	98.6	Very high	97.6	Very high	10 Å²	10	27.3 Å²	27.3	5%	0.047	14%	0.142	C	C	.	.	H	α-helix	trans	-72.8	-37.2	-178.4	-69.1	178.3	94.3	0	0	112.9	L242 V244 A253 L254 F255 R261 F305	L242-Q257 HydrophobicContact CD1-CB 4.5Å; L242-Q257 HydrophobicContact CD2-CB 4.11Å; V244-Q257 PolarHBondContact O-NE2 3.05Å; A253-Q257 WeakPolarHBondContact O-CG 3.49Å; A253-Q257 PolarHBondContact O-NE2 2.95Å; L254-Q257 PolarHBondContact O-N 2.97Å; F255-Q257 VanDerWaalsContact C-N 3.33Å; Q257-R261 WeakPolarHBondContact O-CG 3.28Å; Q257-R261 PolarHBondContact O-N 2.87Å; Q257-R261 PolarHBondContact O-NH1 2.68Å; Q257-F305 HydrophobicContact CG-CE1 4.47Å; Q257-F305 HydrophobicContact CG-CE2 4.13Å; Q257-F305 HydrophobicContact CG-CZ 3.76Å
258	T	98.5	Very high	97.4	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	14%	0.139	C	C	.	.	H	α-helix	trans	-71.8	-40.2	177.7	63.2	0	0	0	0	110.9	L184 L242 L254 F255 L260 R261 G262 W263	L184-T258 HydrophobicContact CD1-CG2 4.05Å; L242-T258 HydrophobicContact CD1-CG2 4.33Å; L254-T258 HydrophobicContact CD1-CG2 4Å; L254-T258 HydrophobicContact CG-CG2 4.22Å; L254-T258 WeakPolarHBondContact O-CG2 3.12Å; L254-T258 PolarHBondContact O-N 3.37Å; L254-T258 PolarHBondContact O-OG1 3.49Å; F255-T258 VanDerWaalsContact CA-OG1 3.31Å; F255-T258 WeakPolarHBondContact CA-OG1 3.45Å; F255-T258 PolarHBondContact O-OG1 3.12Å; T258-L260 VanDerWaalsContact C-N 3.35Å; T258-L260 PolarHBondContact O-N 2.73Å; T258-R261 CarbonylContact O-C 3.59Å; T258-R261 WeakPolarHBondContact O-CA 3.37Å; T258-R261 WeakPolarHBondContact O-CB 3.41Å; T258-R261 PolarHBondContact O-N 3.03Å; T258-G262 PolarHBondContact O-N 2.9Å; T258-W263 HydrophobicContact CG2-CE3 3.73Å; T258-W263 HydrophobicContact CG2-CZ3 4.34Å; T258-W263 WeakPolarHBondContact O-CB 3.48Å; T258-W263 PolarHBondContact O-N 2.86Å
259	T	98.2	Very high	96.8	Very high	22 Å²	22	31.1 Å²	31.1	14%	0.135	16%	0.16	C	C	.	.	H	α-helix	trans	-59.6	-44.2	175.4	-63.1	0	0	0	0	111.7	L200 V202 T224 F255 R261 G262	L200-T259 HydrophobicContact CG-CG2 4.28Å; L200-T259 WeakPolarHBondContact O-CG2 3.25Å; V202-T259 HydrophobicContact CG2-CG2 4.08Å; T224-T259 PolarHBondContact O-OG1 3.24Å; F255-T259 WeakPolarHBondContact O-CB 3.29Å; F255-T259 PolarHBondContact O-N 2.86Å; F255-T259 PolarHBondContact O-OG1 2.84Å; T259-R261 PolarHBondContact O-N 3.22Å; T259-G262 PolarHBondContact O-N 3.4Å
260	L	97.9	Very high	96.1	Very high	80 Å²	80	33.2 Å²	33.2	42%	0.419	18%	0.175	S	C	.	.	H	α-helix	trans	-62.6	-23.3	176.3	-75.5	169	0	0	0	113.4	V202 L204 I256 T258	V202-L260 HydrophobicContact CB-CD2 3.8Å; V202-L260 HydrophobicContact CB-CG 3.98Å; V202-L260 HydrophobicContact CG1-CD1 4.08Å; V202-L260 HydrophobicContact CG1-CD2 3.79Å; V202-L260 HydrophobicContact CG1-CG 3.97Å; V202-L260 HydrophobicContact CG2-CG 4.47Å; L204-L260 HydrophobicContact CD1-CD1 4.09Å; L204-L260 HydrophobicContact CD1-CD2 4.14Å; L204-L260 HydrophobicContact CD2-CD1 4.22Å; L204-L260 HydrophobicContact CG-CD1 4.29Å; L204-L260 HydrophobicContact CG-CD2 4.01Å; I256-L260 HydrophobicContact CG2-CD1 4.25Å; I256-L260 WeakPolarHBondContact O-CG 3.28Å; I256-L260 PolarHBondContact O-N 3.22Å; T258-L260 VanDerWaalsContact C-N 3.35Å; T258-L260 PolarHBondContact O-N 2.73Å
261	R	97.6	Very high	95.6	Very high	95 Å²	95	34 Å²	34	36%	0.358	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	0.9	174.1	-68.4	170.9	172.3	71.5	-3.2	113.1	N241 L242 Q257 T258 T259 W263	N241-R261 PolarHBondContact O-NH2 2.79Å; L242-R261 VanDerWaalsContact CD2-CZ 3.43Å; Q257-R261 WeakPolarHBondContact O-CG 3.28Å; Q257-R261 PolarHBondContact O-N 2.87Å; Q257-R261 PolarHBondContact O-NH1 2.68Å; T258-R261 CarbonylContact O-C 3.59Å; T258-R261 WeakPolarHBondContact O-CA 3.37Å; T258-R261 WeakPolarHBondContact O-CB 3.41Å; T258-R261 PolarHBondContact O-N 3.03Å; T259-R261 PolarHBondContact O-N 3.22Å; R261-W263 HydrophobicContact CB-CD2 4.01Å; R261-W263 HydrophobicContact CB-CG 3.97Å; R261-W263 VanDerWaalsContact O-CD1 3.32Å; R261-W263 PolarHBondContact O-N 2.78Å
262	G	97.2	Very high	95.1	Very high	49 Å²	49	35 Å²	35	51%	0.505	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	73	13	-174.7	0	0	0	0	0	114.2	T258 T259	T258-G262 PolarHBondContact O-N 2.9Å; T259-G262 PolarHBondContact O-N 3.4Å
263	W	97.9	Very high	94.7	Very high	34 Å²	34	33.8 Å²	33.8	13%	0.129	18%	0.182	C	C	.	.			trans	-81.3	147.6	-179.7	-60.9	-3.3	0	0	0	111.3	P181 R183 D238 L242 T258 R261	P181-W263 CarbonylContact O-C 3.59Å; P181-W263 WeakPolarHBondContact O-CA 3.43Å; R183-W263 HydrophobicContact CB-CB 4.21Å; R183-W263 HydrophobicContact CB-CD2 4.03Å; R183-W263 HydrophobicContact CB-CE3 4.09Å; R183-W263 HydrophobicContact CB-CG 4.09Å; R183-W263 HydrophobicContact CG-CB 3.99Å; R183-W263 HydrophobicContact CG-CD2 3.76Å; R183-W263 HydrophobicContact CG-CE3 4.32Å; R183-W263 HydrophobicContact CG-CG 3.57Å; D238-W263 HydrophobicContact CB-CH2 3.77Å; D238-W263 HydrophobicContact CB-CZ3 3.84Å; L242-W263 HydrophobicContact CD2-CH2 4.25Å; L242-W263 HydrophobicContact CD2-CZ3 3.85Å; T258-W263 HydrophobicContact CG2-CE3 3.73Å; T258-W263 HydrophobicContact CG2-CZ3 4.34Å; T258-W263 WeakPolarHBondContact O-CB 3.48Å; T258-W263 PolarHBondContact O-N 2.86Å; R261-W263 HydrophobicContact CB-CD2 4.01Å; R261-W263 HydrophobicContact CB-CG 3.97Å; R261-W263 VanDerWaalsContact O-CD1 3.32Å; R261-W263 PolarHBondContact O-N 2.78Å
264	K	97.3	Very high	94.1	Very high	87 Å²	87	34.4 Å²	34.4	38%	0.378	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	158.3	-178.8	-61	-173.2	-174.9	-178	0	111.1	P181 V182 R183 L184 V222 C223 T224	P181-K264 HydrophobicContact CB-CD 4.34Å; P181-K264 HydrophobicContact CB-CG 4.34Å; P181-K264 HydrophobicContact CG-CD 4.44Å; P181-K264 PolarHBondContact O-N 3.21Å; V182-K264 WeakPolarHBondContact CA-O 3.32Å; V182-K264 HydrophobicContact CG2-CB 4.3Å; R183-K264 PolarHBondContact N-O 3.18Å; L184-K264 PolarHBondContact N-O 2.87Å; V222-K264 HydrophobicContact CG1-CB 3.78Å; V222-K264 HydrophobicContact CG1-CD 3.64Å; V222-K264 HydrophobicContact CG1-CG 4.32Å; C223-K264 CarbonylContact O-C 3.32Å; C223-K264 VanDerWaalsContact O-CA 3.29Å; C223-K264 WeakPolarHBondContact O-CA 3.45Å; C223-K264 WeakPolarHBondContact O-CB 3.3Å; T224-K264 HydrophobicContact CG2-CG 4.37Å
265	V	96.9	Very high	93.5	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	130.8	173.1	58.6	0	0	0	0	109.6	L184 A186 V222 C223 L226 F255	L184-V265 HydrophobicContact CB-CB 3.98Å; L184-V265 HydrophobicContact CB-CG2 3.87Å; L184-V265 WeakPolarHBondContact O-CA 3.42Å; A186-V265 HydrophobicContact CB-CG2 3.74Å; V222-V265 WeakPolarHBondContact CA-O 3.47Å; C223-V265 HydrophobicContact CB-CG1 4.31Å; C223-V265 PolarHBondContact N-O 3.39Å; C223-V265 PolarHBondContact O-N 3.43Å; L226-V265 HydrophobicContact CD1-CG1 4.5Å; L226-V265 HydrophobicContact CD1-CG2 4.02Å; L226-V265 HydrophobicContact CD2-CG1 4.15Å; L226-V265 HydrophobicContact CG-CG1 4Å; L226-V265 HydrophobicContact CG-CG2 4.42Å; F255-V265 HydrophobicContact CE1-CB 4.17Å; F255-V265 HydrophobicContact CE1-CG1 3.97Å; F255-V265 HydrophobicContact CE1-CG2 4.47Å
266	K	95.8	Very high	92.4	Very high	27 Å²	27	40.9 Å²	40.9	12%	0.117	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	113.7	173.6	-175.9	179.6	-174.1	-179.1	0	109	E173 E177 V182 L184 V185 A186 V222 L268	E173-K266 IonicContact OE2-NZ 2.67Å; E173-K266 PolarHBondContact OE2-NZ 3.45Å; E177-K266 WeakPolarHBondContact OE1-CD 3.47Å; E177-K266 IonicContact OE1-NZ 2.62Å; E177-K266 PolarHBondContact OE1-NZ 3.33Å; V182-K266 HydrophobicContact CG1-CB 3.71Å; L184-K266 PolarHBondContact O-N 2.83Å; V185-K266 WeakPolarHBondContact CA-O 3.22Å; V185-K266 HydrophobicContact CG2-CB 4.49Å; A186-K266 PolarHBondContact N-O 3.23Å; V222-K266 HydrophobicContact CG2-CB 4.3Å; V222-K266 HydrophobicContact CG2-CG 4.16Å; K266-L268 HydrophobicContact CD-CD2 4.31Å; K266-L268 HydrophobicContact CG-CD2 4.21Å
267	L	94.2	Very high	91.6	Very high	15 Å²	15	43.2 Å²	43.2	8%	0.079	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	117.4	175.4	-179	66	0	0	0	109.5	A186 V195 C197 G220 S221 L226	A186-L267 HydrophobicContact CB-CD1 4.06Å; V195-L267 HydrophobicContact CB-CD2 4.49Å; V195-L267 HydrophobicContact CG1-CD1 4.17Å; V195-L267 HydrophobicContact CG1-CD2 4.08Å; C197-L267 HydrophobicContact CB-CD2 4.31Å; G220-L267 CarbonylContact C-O 3.26Å; G220-L267 WeakPolarHBondContact CA-O 3.29Å; S221-L267 PolarHBondContact N-O 2.77Å; S221-L267 VanDerWaalsContact N-O 3.1Å; S221-L267 PolarHBondContact O-N 2.85Å; L226-L267 HydrophobicContact CD2-CB 4.23Å; L226-L267 HydrophobicContact CD2-CD1 4.43Å; L226-L267 HydrophobicContact CD2-CD2 4.25Å
268	L	92.3	Very high	91	Very high	10 Å²	10	52.8 Å²	52.8	5%	0.052	27%	0.272	C	S	.	.			trans	-81.9	142.4	176.8	-54.5	-175.6	0	0	0	110.7	L170 E173 V185 A186 V187 P188 K266	L170-L268 HydrophobicContact CD2-CD1 3.96Å; E173-L268 HydrophobicContact CG-CD1 4.1Å; E173-L268 HydrophobicContact CG-CD2 4.23Å; V185-L268 HydrophobicContact CG1-CD1 3.72Å; V185-L268 HydrophobicContact CG1-CD2 4.08Å; V185-L268 HydrophobicContact CG1-CG 3.72Å; A186-L268 PolarHBondContact O-N 3.06Å; V187-L268 HydrophobicContact CG2-CB 4.13Å; V187-L268 HydrophobicContact CG2-CD1 3.99Å; V187-L268 HydrophobicContact CG2-CG 4.38Å; P188-L268 WeakPolarHBondContact CD-O 3.03Å; K266-L268 HydrophobicContact CD-CD2 4.31Å; K266-L268 HydrophobicContact CG-CD2 4.21Å
269	E	85.1	Confident	90.4	Very high	134 Å²	134	56.5 Å²	56.5	63%	0.626	30%	0.297	S	S	*	.	S	Bend	trans	-78.9	-26.7	173.6	-64.9	178.3	-177.9	0	0	112.6	C272	E269-C272 PolarHBondContact O-SG 3.46Å
270	S	83.6	Confident	89.9	Confident	57 Å²	57	57.4 Å²	57.4	40%	0.399	30%	0.3	S	S	.	.	S	Bend	trans	-147.7	155.1	173.5	71.7	0	0	0	0	110	R169	R169-S270 VanDerWaalsContact NH1-C 3.29Å; R169-S270 PolarHBondContact NH1-O 2.68Å; R169-S270 VanDerWaalsContact NH1-O 3.16Å; R169-S270 PolarHBondContact NH1-OG 2.79Å; R169-S270 VanDerWaalsContact NH1-OG 3.13Å; R169-S270 PolarHBondContact NH2-O 2.82Å; R169-S270 PolarHBondContact NH2-OG 3.29Å; R169-S270 VanDerWaalsContact NH2-OG 3.12Å
271	P	86.4	Confident	89.6	Confident	24 Å²	24	55.4 Å²	55.4	16%	0.156	29%	0.288	C	S	.	.	S	Bend	cis	-68.3	178.1	-8.2	35.2	-35	0	0	0	110.1	V166 V187	V166-P271 HydrophobicContact CB-CG 4.04Å; V166-P271 HydrophobicContact CG2-CG 3.45Å; V166-P271 VanDerWaalsContact CG2-CG 3.45Å; V187-P271 WeakPolarHBondContact CG1-O 3.36Å
272	C	86.8	Confident	89.2	Confident	53 Å²	53	55.9 Å²	55.9	36%	0.358	31%	0.306	S	S	.	.			trans	-124.3	155.8	172.1	-52.9	0	0	0	0	109.4	P188 L190 E269	P188-C272 HydrophobicContact CG-CB 4.47Å; P188-C272 WeakPolarHBondContact O-CA 3.46Å; L190-C272 HydrophobicContact CD1-CB 3.87Å; L190-C272 HydrophobicContact CD2-CB 3.93Å; L190-C272 HydrophobicContact CG-CB 3.62Å; E269-C272 PolarHBondContact O-SG 3.46Å
273	F	90.2	Very high	89	Confident	7 Å²	7	55.9 Å²	55.9	3%	0.031	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	150.3	168.7	-77.9	-91.9	0	0	0	110.3	F98 V159 E160 L161 V166 V187 P188 V189 L190 V231	F98-F273 HydrophobicContact CZ-CE1 4.01Å; V159-F273 HydrophobicContact CG1-CB 3.77Å; V159-F273 HydrophobicContact CG1-CD1 3.43Å; V159-F273 VanDerWaalsContact CG1-CD1 3.43Å; V159-F273 HydrophobicContact CG1-CE1 4.27Å; V159-F273 HydrophobicContact CG1-CG 3.81Å; E160-F273 WeakPolarHBondContact O-CD1 3.32Å; L161-F273 HydrophobicContact CD1-CE1 3.8Å; L161-F273 HydrophobicContact CD1-CZ 4.38Å; V166-F273 HydrophobicContact CB-CZ 4.44Å; V166-F273 HydrophobicContact CG1-CE1 4.3Å; V166-F273 HydrophobicContact CG1-CE2 4.47Å; V166-F273 HydrophobicContact CG1-CZ 3.71Å; V166-F273 HydrophobicContact CG2-CE2 3.84Å; V166-F273 HydrophobicContact CG2-CZ 3.92Å; V187-F273 HydrophobicContact CB-CD2 4.21Å; V187-F273 HydrophobicContact CB-CE2 4.24Å; V187-F273 HydrophobicContact CG1-CD2 3.58Å; V187-F273 HydrophobicContact CG1-CE2 3.97Å; P188-F273 PolarHBondContact O-N 2.95Å; V189-F273 CarbonylContact C-O 3.52Å; V189-F273 WeakPolarHBondContact CA-O 3.3Å; V189-F273 HydrophobicContact CG2-CB 4.2Å; L190-F273 PolarHBondContact N-O 2.95Å; V231-F273 HydrophobicContact CB-CD2 3.7Å; V231-F273 HydrophobicContact CB-CE2 3.6Å; V231-F273 HydrophobicContact CB-CG 4.49Å; V231-F273 HydrophobicContact CB-CZ 4.3Å; V231-F273 HydrophobicContact CG1-CD2 4.3Å; V231-F273 HydrophobicContact CG1-CE2 3.7Å; V231-F273 HydrophobicContact CG1-CZ 4.01Å; V231-F273 HydrophobicContact CG2-CB 4.37Å; V231-F273 HydrophobicContact CG2-CD1 4.22Å; V231-F273 HydrophobicContact CG2-CD2 3.45Å; V231-F273 VanDerWaalsContact CG2-CD2 3.45Å; V231-F273 HydrophobicContact CG2-CE1 4.4Å; V231-F273 HydrophobicContact CG2-CE2 3.7Å; V231-F273 HydrophobicContact CG2-CG 3.76Å; V231-F273 HydrophobicContact CG2-CZ 4.17Å
274	S	86.6	Confident	88.9	Confident	12 Å²	12	58.5 Å²	58.5	8%	0.084	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	156.3	173.9	56.5	0	0	0	0	110.9	E160 E162 N276	E160-S274 PolarHBondContact N-O 3.33Å; E162-S274 VanDerWaalsContact OE1-CB 3.3Å; E162-S274 WeakPolarHBondContact OE1-CB 2.9Å; E162-S274 PolarHBondContact OE1-OG 3.02Å; S274-N276 PolarHBondContact OG-ND2 3.01Å
275	A	84.1	Confident	88.8	Confident	37 Å²	37	59.9 Å²	59.9	31%	0.306	34%	0.335	S	S	.	.			trans	-127.8	82.3	169.7	0	0	0	0	0	107.9	G158 V189 T191 H277	G158-A275 WeakPolarHBondContact O-CA 3.06Å; G158-A275 WeakPolarHBondContact O-CB 3.41Å; V189-A275 HydrophobicContact CG1-CB 4.11Å; T191-A275 HydrophobicContact CG2-CB 4.37Å; A275-H277 PolarHBondContact O-N 2.97Å
276	N	77.4	Confident	88.7	Confident	102 Å²	102	61.5 Å²	61.5	55%	0.545	34%	0.344	S	S	.	.			trans	-82.3	14.3	-173.5	-64.1	-38.9	0	0	0	113.8	E160 E162 S274	E160-N276 WeakPolarHBondContact OE2-CB 3.38Å; E160-N276 PolarHBondContact OE2-ND2 3.22Å; E162-N276 PolarHBondContact OE1-ND2 3.32Å; E162-N276 VanDerWaalsContact OE1-ND2 3.15Å; S274-N276 PolarHBondContact OG-ND2 3.01Å
277	H	81.8	Confident	88.7	Confident	50 Å²	50	64 Å²	64	23%	0.231	36%	0.356	C	S	.	.	S	Bend	trans	-93.5	169.7	-178.8	-56.1	-58.2	0	0	0	112.7	Y90 G158 E160 A275	Y90-H277 HydrophobicContact CD1-CB 4.32Å; Y90-H277 HydrophobicContact CD2-CB 3.99Å; Y90-H277 HydrophobicContact CE1-CB 4.02Å; Y90-H277 HydrophobicContact CE2-CB 3.65Å; Y90-H277 HydrophobicContact CG-CB 4.33Å; G158-H277 PolarHBondContact O-CD2 3.48Å; E160-H277 IonicContact OE1-CE1 3.24Å; E160-H277 PolarHBondContact OE1-CE1 3.2Å; E160-H277 IonicContact OE1-ND1 2.69Å; E160-H277 IonicContact OE1-NE2 2.78Å; E160-H277 PolarHBondContact OE1-NE2 3.48Å; A275-H277 PolarHBondContact O-N 2.97Å
278	R	84.9	Confident	88.8	Confident	211 Å²	211	70.5 Å²	70.5	80%	0.796	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-64.5	144.3	168.7	-64.8	-178.5	-179.3	-175.3	0.5	108.4	Y90 L280	Y90-R278 VanDerWaalsContact CE2-O 3.23Å; Y90-R278 WeakPolarHBondContact CE2-O 3.45Å; Y90-R278 PolarHBondContact OH-O 2.83Å; Y90-R278 VanDerWaalsContact OH-O 3.13Å; R278-L280 PolarHBondContact O-N 3.05Å
279	P	85.3	Confident	89	Confident	80 Å²	80	72.6 Å²	72.6	52%	0.519	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-57.1	130.7	176.1	-24.6	34.1	0	0	0	111.2
280	L	88.8	Confident	89.5	Confident	40 Å²	40	66.6 Å²	66.6	21%	0.209	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	151	169.9	-70.1	170.3	0	0	0	110.2	E88 Y90 D157 R278 S282	E88-L280 HydrophobicContact CG-CD2 3.91Å; Y90-L280 HydrophobicContact CD2-CD1 4.19Å; Y90-L280 HydrophobicContact CD2-CD2 3.52Å; Y90-L280 HydrophobicContact CD2-CG 3.77Å; Y90-L280 HydrophobicContact CE2-CD2 3.43Å; Y90-L280 VanDerWaalsContact CE2-CD2 3.43Å; Y90-L280 HydrophobicContact CE2-CG 3.72Å; Y90-L280 HydrophobicContact CG-CD2 4.47Å; D157-L280 HydrophobicContact CB-CD1 4.39Å; D157-L280 WeakPolarHBondContact OD2-CD1 3.45Å; R278-L280 PolarHBondContact O-N 3.05Å; L280-S282 VanDerWaalsContact C-N 3.29Å; L280-S282 PolarHBondContact O-N 2.71Å
281	F	91.5	Very high	90.1	Very high	38 Å²	38	67.7 Å²	67.7	17%	0.167	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	32.1	173.5	-39.2	-52.6	0	0	0	113.7	E85 F87 E88 S283 N286 Q287 A290	E85-F281 HydrophobicContact CB-CE1 3.8Å; E85-F281 HydrophobicContact CB-CZ 3.8Å; E85-F281 HydrophobicContact CG-CE1 4.04Å; E85-F281 HydrophobicContact CG-CZ 3.69Å; F87-F281 AromaticContact CE2-CD1 3.69Å; F87-F281 HydrophobicContact CE2-CD1 3.69Å; F87-F281 AromaticContact CE2-CE1 3.78Å; F87-F281 HydrophobicContact CE2-CE1 3.78Å; F87-F281 AromaticContact CZ-CD1 3.83Å; F87-F281 HydrophobicContact CZ-CD1 3.83Å; F87-F281 AromaticContact CZ-CE1 3.68Å; F87-F281 HydrophobicContact CZ-CE1 3.68Å; E88-F281 HydrophobicContact CB-CD1 4.15Å; E88-F281 HydrophobicContact CB-CE1 4.02Å; E88-F281 VanDerWaalsContact CD-N 3.25Å; E88-F281 HydrophobicContact CG-CD1 4.48Å; E88-F281 WeakPolarHBondContact O-CE1 3.17Å; E88-F281 PolarHBondContact OE1-N 3.49Å; E88-F281 WeakPolarHBondContact OE2-CA 3.46Å; E88-F281 PolarHBondContact OE2-N 2.85Å; F281-S283 PolarHBondContact O-N 3.2Å; F281-S283 VanDerWaalsContact O-N 3.09Å; F281-N286 HydrophobicContact CB-CB 4.37Å; F281-N286 HydrophobicContact CD1-CB 4.47Å; F281-Q287 HydrophobicContact CB-CB 4.42Å; F281-A290 HydrophobicContact CD1-CB 4.18Å; F281-A290 HydrophobicContact CD2-CB 3.94Å; F281-A290 HydrophobicContact CE1-CB 4.27Å; F281-A290 HydrophobicContact CE2-CB 4.05Å; F281-A290 HydrophobicContact CG-CB 4.01Å; F281-A290 HydrophobicContact CZ-CB 4.21Å
282	S	88.6	Confident	90.6	Very high	105 Å²	105	68.6 Å²	68.6	73%	0.734	37%	0.368	S	S	*	.			trans	-60.7	-21.6	-177	59.8	0	0	0	0	114.7	L280	L280-S282 VanDerWaalsContact C-N 3.29Å; L280-S282 PolarHBondContact O-N 2.71Å
283	S	94.5	Very high	91	Very high	50 Å²	50	70.7 Å²	70.7	35%	0.35	37%	0.369	S	S	.	.	S	Bend	trans	-88.6	141.9	173.3	78.9	0	0	0	0	111.7	F281 H285 N286 Q287	F281-S283 PolarHBondContact O-N 3.2Å; F281-S283 VanDerWaalsContact O-N 3.09Å; S283-H285 PolarHBondContact O-N 3.06Å; S283-H285 VanDerWaalsContact O-N 3.14Å; S283-N286 PolarHBondContact O-N 3.21Å; S283-N286 WeakPolarHBondContact OG-CB 3.34Å; S283-N286 PolarHBondContact OG-N 2.9Å; S283-Q287 PolarHBondContact O-N 3.43Å
284	A	94.8	Very high	91.3	Very high	89 Å²	89	74.4 Å²	74.4	74%	0.736	39%	0.388	S	S	*	.	H	α-helix	trans	-55.8	-34.2	178.6	0	0	0	0	0	113.1	W288	A284-W288 WeakPolarHBondContact O-CB 3.26Å; A284-W288 PolarHBondContact O-N 2.7Å
285	H	95.3	Very high	91.7	Very high	115 Å²	115	81.8 Å²	81.8	53%	0.532	42%	0.419	S	S	.	.	H	α-helix	trans	-67.5	-43.8	176.9	-177.9	68.7	0	0	0	112.4	S283 W288 K289	S283-H285 PolarHBondContact O-N 3.06Å; S283-H285 VanDerWaalsContact O-N 3.14Å; H285-W288 PolarHBondContact O-N 3.46Å; H285-K289 WeakPolarHBondContact NE2-CD 3.46Å; H285-K289 WeakPolarHBondContact O-CG 3.38Å; H285-K289 PolarHBondContact O-N 3.36Å
286	N	95.1	Very high	92.4	Very high	35 Å²	35	86 Å²	86	19%	0.187	43%	0.432	C	S	.	.	H	α-helix	trans	-70.8	-38.1	178.7	-76.4	-5.4	0	0	0	111.8	F87 E88 F281 S283 K289 A290	F87-N286 HydrophobicContact CE2-CB 3.78Å; E88-N286 WeakPolarHBondContact OE2-CB 3.46Å; E88-N286 PolarHBondContact OE2-ND2 2.97Å; F281-N286 HydrophobicContact CB-CB 4.37Å; F281-N286 HydrophobicContact CD1-CB 4.47Å; S283-N286 PolarHBondContact O-N 3.21Å; S283-N286 WeakPolarHBondContact OG-CB 3.34Å; S283-N286 PolarHBondContact OG-N 2.9Å; N286-K289 PolarHBondContact O-N 2.85Å; N286-A290 PolarHBondContact O-N 3.5Å
287	Q	94.9	Very high	93.3	Very high	79 Å²	79	82.3 Å²	82.3	37%	0.369	42%	0.416	S	S	.	.	H	α-helix	trans	-58.4	-49.6	171.9	-173.2	63.9	54.1	0	0	111	F281 S283 K289 A290 D291	F281-Q287 HydrophobicContact CB-CB 4.42Å; S283-Q287 PolarHBondContact O-N 3.43Å; Q287-K289 VanDerWaalsContact C-N 3.3Å; Q287-K289 PolarHBondContact O-N 2.83Å; Q287-A290 PolarHBondContact O-N 2.62Å; Q287-D291 PolarHBondContact NE2-OD1 2.98Å; Q287-D291 PolarHBondContact NE2-OD2 3.02Å; Q287-D291 WeakPolarHBondContact O-CB 3.47Å; Q287-D291 VanDerWaalsContact O-CG 3.22Å; Q287-D291 PolarHBondContact O-N 2.92Å
288	W	96.4	Very high	94.1	Very high	152 Å²	152	80.9 Å²	80.9	58%	0.576	41%	0.411	S	S	*	.	H	α-helix	trans	-57.8	-41	176.6	168.3	79.2	0	0	0	112.6	A284 H285 T292	A284-W288 WeakPolarHBondContact O-CB 3.26Å; A284-W288 PolarHBondContact O-N 2.7Å; H285-W288 PolarHBondContact O-N 3.46Å; W288-T292 PolarHBondContact NE1-OG1 3.27Å; W288-T292 VanDerWaalsContact O-CB 3.3Å; W288-T292 WeakPolarHBondContact O-CB 3.37Å; W288-T292 PolarHBondContact O-N 2.93Å; W288-T292 PolarHBondContact O-OG1 2.83Å
289	K	96.4	Very high	94.7	Very high	54 Å²	54	71.1 Å²	71.1	24%	0.235	38%	0.375	C	S	.	.	H	α-helix	trans	-63.4	-46.2	175.9	-75.9	173.1	60.4	-171.9	0	112.1	F87 H285 N286 Q287 T292 R293	F87-K289 HydrophobicContact CE1-CB 4.12Å; F87-K289 HydrophobicContact CE2-CB 4.5Å; F87-K289 HydrophobicContact CZ-CB 3.9Å; H285-K289 WeakPolarHBondContact NE2-CD 3.46Å; H285-K289 WeakPolarHBondContact O-CG 3.38Å; H285-K289 PolarHBondContact O-N 3.36Å; N286-K289 PolarHBondContact O-N 2.85Å; Q287-K289 VanDerWaalsContact C-N 3.3Å; Q287-K289 PolarHBondContact O-N 2.83Å; K289-T292 PolarHBondContact O-N 3.17Å; K289-R293 WeakPolarHBondContact O-CG 3.33Å; K289-R293 PolarHBondContact O-N 3.24Å
290	A	95.4	Very high	95.2	Very high	9 Å²	9	74.9 Å²	74.9	7%	0.074	38%	0.383	C	S	.	.	H	α-helix	trans	-61.3	-48.7	177.7	0	0	0	0	0	110.9	F87 F281 N286 Q287 T292 R293 L294	F87-A290 HydrophobicContact CZ-CB 4.21Å; F281-A290 HydrophobicContact CD1-CB 4.18Å; F281-A290 HydrophobicContact CD2-CB 3.94Å; F281-A290 HydrophobicContact CE1-CB 4.27Å; F281-A290 HydrophobicContact CE2-CB 4.05Å; F281-A290 HydrophobicContact CG-CB 4.01Å; F281-A290 HydrophobicContact CZ-CB 4.21Å; N286-A290 PolarHBondContact O-N 3.5Å; Q287-A290 PolarHBondContact O-N 2.62Å; A290-T292 VanDerWaalsContact C-N 3.33Å; A290-T292 PolarHBondContact O-N 2.94Å; A290-R293 PolarHBondContact O-N 3.48Å; A290-L294 WeakPolarHBondContact O-CB 3.3Å; A290-L294 PolarHBondContact O-N 2.98Å
291	D	96.1	Very high	95.7	Very high	80 Å²	80	73.2 Å²	73.2	43%	0.428	38%	0.375	S	S	.	.	H	α-helix	trans	-61.7	-41	179.7	-67	-17.4	0	0	0	112	Q287 L294 K295	Q287-D291 PolarHBondContact NE2-OD1 2.98Å; Q287-D291 PolarHBondContact NE2-OD2 3.02Å; Q287-D291 WeakPolarHBondContact O-CB 3.47Å; Q287-D291 VanDerWaalsContact O-CG 3.22Å; Q287-D291 PolarHBondContact O-N 2.92Å; D291-L294 PolarHBondContact O-N 2.6Å; D291-K295 WeakPolarHBondContact O-CB 3.46Å; D291-K295 PolarHBondContact O-N 2.95Å
292	T	97	Very high	96	Very high	43 Å²	43	71.5 Å²	71.5	26%	0.264	37%	0.367	S	S	.	.	H	α-helix	trans	-63.4	-47.8	177.6	-60	0	0	0	0	110.9	W288 K289 A290 L294 K295 E296	W288-T292 PolarHBondContact NE1-OG1 3.27Å; W288-T292 VanDerWaalsContact O-CB 3.3Å; W288-T292 WeakPolarHBondContact O-CB 3.37Å; W288-T292 PolarHBondContact O-N 2.93Å; W288-T292 PolarHBondContact O-OG1 2.83Å; K289-T292 PolarHBondContact O-N 3.17Å; A290-T292 VanDerWaalsContact C-N 3.33Å; A290-T292 PolarHBondContact O-N 2.94Å; T292-L294 PolarHBondContact O-N 3.18Å; T292-K295 PolarHBondContact O-N 3.31Å; T292-E296 WeakPolarHBondContact O-CG 3.42Å; T292-E296 PolarHBondContact O-N 2.94Å
293	R	96.2	Very high	96.4	Very high	97 Å²	97	73.6 Å²	73.6	37%	0.366	36%	0.359	S	S	.	.	H	α-helix	trans	-63.9	-40.3	177.2	-73.3	179	175.9	-166.9	-3.4	112.3	E85 K289 A290 K295 E296 A297	E85-R293 WeakPolarHBondContact OE2-CD 3.19Å; E85-R293 IonicContact OE2-CZ 2.84Å; E85-R293 IonicContact OE2-NE 3.58Å; E85-R293 IonicContact OE2-NH1 2.76Å; E85-R293 PolarHBondContact OE2-NH1 2.94Å; K289-R293 WeakPolarHBondContact O-CG 3.33Å; K289-R293 PolarHBondContact O-N 3.24Å; A290-R293 PolarHBondContact O-N 3.48Å; R293-K295 VanDerWaalsContact C-N 3.33Å; R293-K295 PolarHBondContact O-N 2.9Å; R293-E296 PolarHBondContact O-N 2.98Å; R293-A297 VanDerWaalsContact O-CB 3.29Å; R293-A297 WeakPolarHBondContact O-CB 3.4Å; R293-A297 PolarHBondContact O-N 3.49Å
294	L	95.9	Very high	96.5	Very high	84 Å²	84	75 Å²	75	44%	0.44	37%	0.369	S	S	.	.	H	α-helix	trans	-61.9	-43.4	176.3	-175	69.3	0	0	0	111	P249 A290 D291 T292 A297 T298	P249-L294 HydrophobicContact CB-CD1 3.95Å; P249-L294 HydrophobicContact CG-CD1 3.53Å; A290-L294 WeakPolarHBondContact O-CB 3.3Å; A290-L294 PolarHBondContact O-N 2.98Å; D291-L294 PolarHBondContact O-N 2.6Å; T292-L294 PolarHBondContact O-N 3.18Å; L294-A297 PolarHBondContact O-N 2.83Å; L294-T298 VanDerWaalsContact O-CB 3.26Å; L294-T298 WeakPolarHBondContact O-CB 3.35Å; L294-T298 PolarHBondContact O-N 3.41Å; L294-T298 PolarHBondContact O-OG1 3.4Å
295	K	96.4	Very high	96.6	Very high	168 Å²	168	72.2 Å²	72.2	73%	0.73	34%	0.34	S	S	*	.	H	α-helix	trans	-62.6	-44.5	176.3	-175	179.7	178.5	-177	0	111.7	D291 T292 R293 G299	D291-K295 WeakPolarHBondContact O-CB 3.46Å; D291-K295 PolarHBondContact O-N 2.95Å; T292-K295 PolarHBondContact O-N 3.31Å; R293-K295 VanDerWaalsContact C-N 3.33Å; R293-K295 PolarHBondContact O-N 2.9Å; K295-G299 PolarHBondContact O-N 3.1Å
296	E	97.1	Very high	96.7	Very high	125 Å²	125	67.2 Å²	67.2	58%	0.584	32%	0.32	S	S	*	.	H	α-helix	trans	-63.5	-47.7	176.6	-73.7	175.6	-179.7	0	0	112.3	T292 R293 G299 K300	T292-E296 WeakPolarHBondContact O-CG 3.42Å; T292-E296 PolarHBondContact O-N 2.94Å; R293-E296 PolarHBondContact O-N 2.98Å; E296-G299 PolarHBondContact O-N 2.89Å; E296-K300 PolarHBondContact O-N 3.13Å
297	A	97.1	Very high	96.9	Very high	24 Å²	24	65.6 Å²	65.6	20%	0.198	31%	0.311	C	S	.	.	H	α-helix	trans	-60.8	-46.4	177.5	0	0	0	0	0	111.2	R248 R293 L294 G299 K300 L301	R248-A297 HydrophobicContact CB-CB 4.23Å; R293-A297 VanDerWaalsContact O-CB 3.29Å; R293-A297 WeakPolarHBondContact O-CB 3.4Å; R293-A297 PolarHBondContact O-N 3.49Å; L294-A297 PolarHBondContact O-N 2.83Å; A297-G299 VanDerWaalsContact C-N 3.34Å; A297-G299 PolarHBondContact O-N 3.26Å; A297-K300 PolarHBondContact O-N 2.9Å; A297-L301 WeakPolarHBondContact O-CB 3.43Å; A297-L301 PolarHBondContact O-N 3.46Å
298	T	97.8	Very high	97	Very high	21 Å²	21	63.5 Å²	63.5	13%	0.129	30%	0.301	C	S	.	.	H	α-helix	trans	-58	-47.3	174.8	-57.3	0	0	0	0	110.7	P249 L294 K300 L301 M302 F320	P249-T298 WeakPolarHBondContact CG-OG1 3.48Å; L294-T298 VanDerWaalsContact O-CB 3.26Å; L294-T298 WeakPolarHBondContact O-CB 3.35Å; L294-T298 PolarHBondContact O-N 3.41Å; L294-T298 PolarHBondContact O-OG1 3.4Å; T298-K300 VanDerWaalsContact C-N 3.34Å; T298-K300 PolarHBondContact O-N 2.87Å; T298-L301 PolarHBondContact O-N 2.9Å; T298-M302 HydrophobicContact CG2-CE 4.01Å; T298-M302 HydrophobicContact CG2-CG 4.23Å; T298-M302 VanDerWaalsContact O-CG 3.3Å; T298-M302 WeakPolarHBondContact O-CG 3.47Å; T298-M302 PolarHBondContact O-N 3.25Å; T298-F320 HydrophobicContact CG2-CE1 4.12Å; T298-F320 HydrophobicContact CG2-CZ 3.88Å
299	G	97.6	Very high	97.1	Very high	5 Å²	5	59.4 Å²	59.4	5%	0.052	29%	0.285	C	S	.	.	H	α-helix	trans	-60.6	-41.1	177.5	0	0	0	0	0	113.3	K295 E296 A297 R303	K295-G299 PolarHBondContact O-N 3.1Å; E296-G299 PolarHBondContact O-N 2.89Å; A297-G299 VanDerWaalsContact C-N 3.34Å; A297-G299 PolarHBondContact O-N 3.26Å; G299-R303 WeakPolarHBondContact O-CB 3.49Å; G299-R303 WeakPolarHBondContact O-CG 3.27Å; G299-R303 PolarHBondContact O-N 3.49Å; G299-R303 VanDerWaalsContact O-N 3.12Å; G299-R303 PolarHBondContact O-NE 3.43Å
300	K	97.5	Very high	97.2	Very high	159 Å²	159	57 Å²	57	69%	0.691	28%	0.275	S	S	*	.	H	α-helix	trans	-64.6	-44.9	175.1	-174.6	177.9	172.7	-178.6	0	111.4	E296 A297 T298 R303 S304	E296-K300 PolarHBondContact O-N 3.13Å; A297-K300 PolarHBondContact O-N 2.9Å; T298-K300 VanDerWaalsContact C-N 3.34Å; T298-K300 PolarHBondContact O-N 2.87Å; K300-R303 PolarHBondContact O-N 3.33Å; K300-S304 WeakPolarHBondContact O-CB 3.33Å; K300-S304 PolarHBondContact O-N 3.11Å
301	L	98.2	Very high	97.3	Very high	6 Å²	6	58.4 Å²	58.4	3%	0.031	28%	0.281	C	S	.	.	H	α-helix	trans	-61	-52.6	178.3	-179.3	65.9	0	0	0	111.5	R248 P252 A253 A297 T298 R303 S304 F305	R248-L301 WeakPolarHBondContact O-CB 3.02Å; P252-L301 HydrophobicContact CB-CD2 3.86Å; A253-L301 HydrophobicContact CB-CD1 3.81Å; A253-L301 HydrophobicContact CB-CD2 3.85Å; A297-L301 WeakPolarHBondContact O-CB 3.43Å; A297-L301 PolarHBondContact O-N 3.46Å; T298-L301 PolarHBondContact O-N 2.9Å; L301-R303 VanDerWaalsContact C-N 3.32Å; L301-R303 PolarHBondContact O-N 3.14Å; L301-S304 PolarHBondContact O-N 3.03Å; L301-S304 PolarHBondContact O-OG 3.16Å; L301-F305 HydrophobicContact CD1-CD1 4.42Å; L301-F305 HydrophobicContact CD1-CD2 4.17Å; L301-F305 HydrophobicContact CD1-CE1 4Å; L301-F305 HydrophobicContact CD1-CE2 3.74Å; L301-F305 HydrophobicContact CD1-CZ 3.64Å; L301-F305 HydrophobicContact CG-CD2 4.36Å; L301-F305 HydrophobicContact CG-CE2 4.24Å; L301-F305 PolarHBondContact O-N 3.48Å
302	M	98.1	Very high	97.2	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-61	-41.7	-179	-61.7	-48.7	144.5	0	0	111.6	P252 I256 T298 S304 F305 G306 L307 L310 F320	P252-M302 HydrophobicContact CB-CE 4.08Å; I256-M302 HydrophobicContact CD1-CE 3.94Å; I256-M302 HydrophobicContact CD1-SD 4.02Å; T298-M302 HydrophobicContact CG2-CE 4.01Å; T298-M302 HydrophobicContact CG2-CG 4.23Å; T298-M302 VanDerWaalsContact O-CG 3.3Å; T298-M302 WeakPolarHBondContact O-CG 3.47Å; T298-M302 PolarHBondContact O-N 3.25Å; M302-S304 PolarHBondContact O-N 2.93Å; M302-F305 PolarHBondContact O-N 3.49Å; M302-G306 PolarHBondContact O-N 3.48Å; M302-G306 VanDerWaalsContact O-N 3.08Å; M302-L307 CarbonylContact C-O 3.59Å; M302-L307 HydrophobicContact CB-CB 4.31Å; M302-L307 PolarHBondContact O-N 2.85Å; M302-L307 HydrophobicContact SD-CB 4.21Å; M302-L307 HydrophobicContact SD-CD1 3.9Å; M302-L310 HydrophobicContact CE-CD1 3.97Å; M302-L310 HydrophobicContact CG-CD1 4.01Å; M302-L310 HydrophobicContact SD-CD1 3.88Å; M302-L310 HydrophobicContact SD-CD2 3.93Å; M302-L310 HydrophobicContact SD-CG 4.31Å; M302-F320 HydrophobicContact CB-CB 4.09Å; M302-F320 HydrophobicContact CB-CD1 4.04Å; M302-F320 HydrophobicContact CB-CD2 3.97Å; M302-F320 HydrophobicContact CB-CE1 4.48Å; M302-F320 HydrophobicContact CB-CE2 4.45Å; M302-F320 HydrophobicContact CB-CG 3.75Å; M302-F320 HydrophobicContact CG-CD1 4.25Å; M302-F320 HydrophobicContact CG-CD2 3.92Å; M302-F320 HydrophobicContact CG-CE1 4.2Å; M302-F320 HydrophobicContact CG-CE2 3.91Å; M302-F320 HydrophobicContact CG-CG 4.1Å; M302-F320 HydrophobicContact CG-CZ 4.03Å
303	R	96.5	Very high	96.9	Very high	149 Å²	149	55.7 Å²	55.7	56%	0.562	27%	0.267	S	S	*	.	H	α-helix	trans	-59.7	-44.6	172.5	-76.8	-173.9	-71.8	-102	1.3	112.1	G299 K300 L301 F305 G306	G299-R303 WeakPolarHBondContact O-CB 3.49Å; G299-R303 WeakPolarHBondContact O-CG 3.27Å; G299-R303 PolarHBondContact O-N 3.49Å; G299-R303 VanDerWaalsContact O-N 3.12Å; G299-R303 PolarHBondContact O-NE 3.43Å; K300-R303 PolarHBondContact O-N 3.33Å; L301-R303 VanDerWaalsContact C-N 3.32Å; L301-R303 PolarHBondContact O-N 3.14Å; R303-F305 VanDerWaalsContact C-N 3.32Å; R303-F305 PolarHBondContact O-N 2.89Å; R303-G306 PolarHBondContact O-N 3.01Å; R303-G306 VanDerWaalsContact O-N 3.1Å
304	S	97	Very high	96.7	Very high	79 Å²	79	56.8 Å²	56.8	55%	0.552	28%	0.276	S	S	*	.	H	α-helix	trans	-64.6	-33	179.5	74.8	0	0	0	0	113.5	K300 L301 M302 G306	K300-S304 WeakPolarHBondContact O-CB 3.33Å; K300-S304 PolarHBondContact O-N 3.11Å; L301-S304 PolarHBondContact O-N 3.03Å; L301-S304 PolarHBondContact O-OG 3.16Å; M302-S304 PolarHBondContact O-N 2.93Å; S304-G306 VanDerWaalsContact C-N 3.3Å
305	F	97.6	Very high	96.4	Very high	30 Å²	30	55.7 Å²	55.7	13%	0.132	29%	0.285	C	S	.	.	H	α-helix	trans	-84	-5.9	175.6	-71.7	-3.4	0	0	0	113.3	V244 I256 Q257 L301 M302 R303 L307	V244-F305 HydrophobicContact CB-CE1 3.94Å; V244-F305 HydrophobicContact CB-CZ 4.19Å; V244-F305 HydrophobicContact CG2-CE1 3.76Å; V244-F305 HydrophobicContact CG2-CZ 4.5Å; I256-F305 HydrophobicContact CB-CD2 4.11Å; I256-F305 HydrophobicContact CB-CE2 3.97Å; I256-F305 HydrophobicContact CD1-CD2 4.03Å; I256-F305 HydrophobicContact CD1-CE2 4.3Å; I256-F305 HydrophobicContact CG2-CD2 3.63Å; I256-F305 HydrophobicContact CG2-CE2 3.89Å; Q257-F305 HydrophobicContact CG-CE1 4.47Å; Q257-F305 HydrophobicContact CG-CE2 4.13Å; Q257-F305 HydrophobicContact CG-CZ 3.76Å; L301-F305 HydrophobicContact CD1-CD1 4.42Å; L301-F305 HydrophobicContact CD1-CD2 4.17Å; L301-F305 HydrophobicContact CD1-CE1 4Å; L301-F305 HydrophobicContact CD1-CE2 3.74Å; L301-F305 HydrophobicContact CD1-CZ 3.64Å; L301-F305 HydrophobicContact CG-CD2 4.36Å; L301-F305 HydrophobicContact CG-CE2 4.24Å; L301-F305 PolarHBondContact O-N 3.48Å; M302-F305 PolarHBondContact O-N 3.49Å; R303-F305 VanDerWaalsContact C-N 3.32Å; R303-F305 PolarHBondContact O-N 2.89Å; F305-L307 VanDerWaalsContact C-N 3.32Å; F305-L307 HydrophobicContact CB-CD1 4.28Å; F305-L307 HydrophobicContact CB-CG 4.18Å
306	G	96.6	Very high	96.3	Very high	11 Å²	11	54 Å²	54	11%	0.113	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	40.7	-171.8	0	0	0	0	0	111.6	M302 R303 S304 R345	M302-G306 PolarHBondContact O-N 3.48Å; M302-G306 VanDerWaalsContact O-N 3.08Å; R303-G306 PolarHBondContact O-N 3.01Å; R303-G306 VanDerWaalsContact O-N 3.1Å; S304-G306 VanDerWaalsContact C-N 3.3Å; G306-R345 PolarHBondContact O-NH1 3.18Å
307	L	98.4	Very high	96.2	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.268	C	S	.	.			trans	-100.3	129.6	169.1	-65	175	0	0	0	108.9	V202 L204 W207 A209 I256 M302 F305 L310	V202-L307 HydrophobicContact CG1-CD2 4.08Å; L204-L307 HydrophobicContact CD2-CD2 4.3Å; W207-L307 CarbonylContact O-C 3.57Å; W207-L307 WeakPolarHBondContact O-CA 3.4Å; A209-L307 HydrophobicContact CB-CD1 4.07Å; I256-L307 HydrophobicContact CD1-CD1 3.66Å; I256-L307 HydrophobicContact CG1-CD1 4.33Å; I256-L307 HydrophobicContact CG2-CD1 4.09Å; M302-L307 CarbonylContact C-O 3.59Å; M302-L307 HydrophobicContact CB-CB 4.31Å; M302-L307 PolarHBondContact O-N 2.85Å; M302-L307 HydrophobicContact SD-CB 4.21Å; M302-L307 HydrophobicContact SD-CD1 3.9Å; F305-L307 VanDerWaalsContact C-N 3.32Å; F305-L307 HydrophobicContact CB-CD1 4.28Å; F305-L307 HydrophobicContact CB-CG 4.18Å; L307-L310 HydrophobicContact CD1-CD2 4.48Å
308	K	98.4	Very high	96.2	Very high	36 Å²	36	53.9 Å²	53.9	16%	0.157	27%	0.273	C	S	.	.			trans	-115.4	-21.3	-173.9	-57.9	-66	-176.9	175.3	0	112.4	W207 W319 F320 P349	W207-K308 HydrophobicContact CB-CB 3.89Å; W207-K308 HydrophobicContact CB-CG 3.73Å; W207-K308 HydrophobicContact CD2-CG 4.16Å; W207-K308 HydrophobicContact CE3-CG 3.87Å; W207-K308 HydrophobicContact CG-CG 4.13Å; W207-K308 PolarHBondContact O-N 3.29Å; K308-W319 WeakPolarHBondContact O-CA 3.37Å; K308-F320 PolarHBondContact O-N 2.87Å; K308-P349 HydrophobicContact CB-CG 4.05Å
309	R	98.3	Very high	96.2	Very high	65 Å²	65	57.2 Å²	57.2	25%	0.245	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	130.1	176.8	-172.1	175.4	71.1	168	1.6	110.7	W207 T208 A209 Q318 W319 P349	W207-R309 PolarHBondContact O-N 2.88Å; T208-R309 WeakPolarHBondContact CA-O 3.4Å; T208-R309 HydrophobicContact CG2-CB 4.41Å; T208-R309 PolarHBondContact OG1-NE 3.27Å; A209-R309 PolarHBondContact N-O 2.98Å; R309-Q318 WeakPolarHBondContact CA-O 3.41Å; R309-W319 HydrophobicContact CB-CE3 4.13Å; R309-W319 HydrophobicContact CB-CH2 4.46Å; R309-W319 HydrophobicContact CB-CZ3 3.96Å; R309-W319 VanDerWaalsContact CD-CH2 3.46Å; R309-W319 HydrophobicContact CG-CD2 4.46Å; R309-W319 HydrophobicContact CG-CE3 4.24Å; R309-W319 HydrophobicContact CG-CH2 4.07Å; R309-W319 HydrophobicContact CG-CZ2 4.23Å; R309-W319 HydrophobicContact CG-CZ3 4.03Å; R309-P349 HydrophobicContact CB-CB 4.46Å; R309-P349 HydrophobicContact CB-CG 3.88Å
310	L	97.8	Very high	96.2	Very high	5 Å²	5	58.6 Å²	58.6	3%	0.026	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.8	167.2	-58.5	-178.8	0	0	0	109.3	A209 M302 L307 E317 Q318 F320	A209-L310 HydrophobicContact CB-CD2 3.47Å; A209-L310 VanDerWaalsContact CB-CD2 3.47Å; A209-L310 CarbonylContact O-C 3.56Å; A209-L310 WeakPolarHBondContact O-CA 3.39Å; M302-L310 HydrophobicContact CE-CD1 3.97Å; M302-L310 HydrophobicContact CG-CD1 4.01Å; M302-L310 HydrophobicContact SD-CD1 3.88Å; M302-L310 HydrophobicContact SD-CD2 3.93Å; M302-L310 HydrophobicContact SD-CG 4.31Å; L307-L310 HydrophobicContact CD1-CD2 4.48Å; L310-E317 CarbonylContact O-C 3.56Å; L310-E317 WeakPolarHBondContact O-CA 3.3Å; L310-Q318 HydrophobicContact CB-CB 4.26Å; L310-Q318 PolarHBondContact N-O 2.96Å; L310-Q318 PolarHBondContact O-N 3.07Å; L310-F320 HydrophobicContact CB-CE2 4.36Å; L310-F320 HydrophobicContact CD1-CD2 4.36Å; L310-F320 HydrophobicContact CD1-CE2 3.47Å; L310-F320 VanDerWaalsContact CD1-CE2 3.47Å; L310-F320 HydrophobicContact CD1-CZ 4.03Å; L310-F320 HydrophobicContact CG-CD2 4.19Å; L310-F320 HydrophobicContact CG-CE2 3.67Å
311	L	97.1	Very high	96.2	Very high	37 Å²	37	52.1 Å²	52.1	19%	0.194	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	116.9	169.1	-71.4	136.9	0	0	0	107.5	T208 A209 T210 Y211 E317	T208-L311 HydrophobicContact CG2-CD1 3.81Å; A209-L311 PolarHBondContact O-N 2.91Å; T210-L311 HydrophobicContact CG2-CB 3.95Å; T210-L311 HydrophobicContact CG2-CD1 4.2Å; T210-L311 WeakPolarHBondContact OG1-CD1 3.25Å; Y211-L311 PolarHBondContact N-O 3.47Å; L311-E317 HydrophobicContact CD2-CG 3.75Å; L311-E317 HydrophobicContact CG-CG 4.37Å
312	L	94.8	Very high	96.2	Very high	39 Å²	39	52.2 Å²	52.2	20%	0.204	27%	0.267	C	S	.	.			trans	-86.5	159.9	-179.3	-59.5	-178.7	0	0	0	111.5	E314 G315 K316 Q318	L312-E314 VanDerWaalsContact CB-OE2 3.3Å; L312-E314 WeakPolarHBondContact CB-OE2 3.35Å; L312-E314 PolarHBondContact O-N 2.78Å; L312-E314 VanDerWaalsContact O-N 3.09Å; L312-G315 PolarHBondContact O-N 3.36Å; L312-K316 HydrophobicContact CB-CB 4.44Å; L312-K316 WeakPolarHBondContact CB-O 3.3Å; L312-K316 HydrophobicContact CD1-CB 4.25Å; L312-K316 HydrophobicContact CD1-CD 4.39Å; L312-K316 HydrophobicContact CD1-CG 4.42Å; L312-K316 WeakPolarHBondContact CG-O 3.48Å; L312-K316 PolarHBondContact N-O 3.36Å; L312-Q318 HydrophobicContact CD1-CG 4.22Å
313	P	90.7	Very high	96.2	Very high	28 Å²	28	54.6 Å²	54.6	18%	0.182	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-27.6	-178.5	-24	35.1	0	0	0	114	L198 P213 G315	L198-P313 HydrophobicContact CD1-CG 3.91Å; L198-P313 HydrophobicContact CD2-CB 4.36Å; L198-P313 HydrophobicContact CD2-CG 3.82Å; P213-P313 HydrophobicContact CG-CB 4.37Å; P313-G315 PolarHBondContact O-N 3.47Å
314	E	91.1	Very high	96.3	Very high	120 Å²	120	49.5 Å²	49.5	56%	0.561	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	4.6	-179.7	-48.5	76.1	-164.2	0	0	112.8	L312 K316	L312-E314 VanDerWaalsContact CB-OE2 3.3Å; L312-E314 WeakPolarHBondContact CB-OE2 3.35Å; L312-E314 PolarHBondContact O-N 2.78Å; L312-E314 VanDerWaalsContact O-N 3.09Å; E314-K316 VanDerWaalsContact C-N 3.28Å; E314-K316 PolarHBondContact O-N 2.69Å
315	G	90.2	Very high	96.3	Very high	61 Å²	61	52.7 Å²	52.7	63%	0.629	27%	0.27	S	S	*	.	S	Bend	trans	81.8	1.4	-176.6	0	0	0	0	0	114.2	L312 P313	L312-G315 PolarHBondContact O-N 3.36Å; P313-G315 PolarHBondContact O-N 3.47Å
316	K	94.6	Very high	96.3	Very high	133 Å²	133	53.8 Å²	53.8	58%	0.578	28%	0.279	S	S	*	.			trans	-75.6	132.7	177.3	-178.1	175.9	-178.8	177.4	0	110.9	L312 E314	L312-K316 HydrophobicContact CB-CB 4.44Å; L312-K316 WeakPolarHBondContact CB-O 3.3Å; L312-K316 HydrophobicContact CD1-CB 4.25Å; L312-K316 HydrophobicContact CD1-CD 4.39Å; L312-K316 HydrophobicContact CD1-CG 4.42Å; L312-K316 WeakPolarHBondContact CG-O 3.48Å; L312-K316 PolarHBondContact N-O 3.36Å; E314-K316 VanDerWaalsContact C-N 3.28Å; E314-K316 PolarHBondContact O-N 2.69Å
317	E	95.8	Very high	96.4	Very high	83 Å²	83	57.9 Å²	57.9	39%	0.388	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	144.1	172.7	-64.8	-170.6	172.1	0	0	112.2	L310 L311 W319	L310-E317 CarbonylContact O-C 3.56Å; L310-E317 WeakPolarHBondContact O-CA 3.3Å; L311-E317 HydrophobicContact CD2-CG 3.75Å; L311-E317 HydrophobicContact CG-CG 4.37Å; E317-W319 WeakPolarHBondContact OE2-CZ2 3.3Å; E317-W319 PolarHBondContact OE2-NE1 2.92Å
318	Q	96.6	Very high	96.4	Very high	63 Å²	63	60 Å²	60	29%	0.294	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	136.2	168.4	-59.1	-177.1	-17.7	0	0	110.2	R309 L310 L312 F320	R309-Q318 WeakPolarHBondContact CA-O 3.41Å; L310-Q318 HydrophobicContact CB-CB 4.26Å; L310-Q318 PolarHBondContact N-O 2.96Å; L310-Q318 PolarHBondContact O-N 3.07Å; L312-Q318 HydrophobicContact CD1-CG 4.22Å; Q318-F320 HydrophobicContact CB-CE2 3.68Å; Q318-F320 HydrophobicContact CB-CZ 4.06Å
319	W	97.8	Very high	96.4	Very high	91 Å²	91	60.2 Å²	60.2	35%	0.345	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.5	-174	-66.8	93.2	0	0	0	111.2	K308 R309 E317 P349 C350 R353	K308-W319 WeakPolarHBondContact O-CA 3.37Å; R309-W319 HydrophobicContact CB-CE3 4.13Å; R309-W319 HydrophobicContact CB-CH2 4.46Å; R309-W319 HydrophobicContact CB-CZ3 3.96Å; R309-W319 VanDerWaalsContact CD-CH2 3.46Å; R309-W319 HydrophobicContact CG-CD2 4.46Å; R309-W319 HydrophobicContact CG-CE3 4.24Å; R309-W319 HydrophobicContact CG-CH2 4.07Å; R309-W319 HydrophobicContact CG-CZ2 4.23Å; R309-W319 HydrophobicContact CG-CZ3 4.03Å; E317-W319 WeakPolarHBondContact OE2-CZ2 3.3Å; E317-W319 PolarHBondContact OE2-NE1 2.92Å; W319-P349 HydrophobicContact CH2-CB 4.32Å; W319-P349 HydrophobicContact CZ3-CB 3.95Å; W319-P349 HydrophobicContact CZ3-CG 4.19Å; W319-C350 HydrophobicContact CE3-CB 3.99Å; W319-C350 HydrophobicContact CZ3-CB 4.06Å; W319-R353 HydrophobicContact CH2-CB 4.34Å
320	F	97.8	Very high	96.3	Very high	33 Å²	33	57.4 Å²	57.4	15%	0.145	31%	0.307	C	S	.	.			trans	-130.5	22	-178.5	-57.7	-85.5	0	0	0	111.9	T298 M302 K308 L310 Q318	T298-F320 HydrophobicContact CG2-CE1 4.12Å; T298-F320 HydrophobicContact CG2-CZ 3.88Å; M302-F320 HydrophobicContact CB-CB 4.09Å; M302-F320 HydrophobicContact CB-CD1 4.04Å; M302-F320 HydrophobicContact CB-CD2 3.97Å; M302-F320 HydrophobicContact CB-CE1 4.48Å; M302-F320 HydrophobicContact CB-CE2 4.45Å; M302-F320 HydrophobicContact CB-CG 3.75Å; M302-F320 HydrophobicContact CG-CD1 4.25Å; M302-F320 HydrophobicContact CG-CD2 3.92Å; M302-F320 HydrophobicContact CG-CE1 4.2Å; M302-F320 HydrophobicContact CG-CE2 3.91Å; M302-F320 HydrophobicContact CG-CG 4.1Å; M302-F320 HydrophobicContact CG-CZ 4.03Å; K308-F320 PolarHBondContact O-N 2.87Å; L310-F320 HydrophobicContact CB-CE2 4.36Å; L310-F320 HydrophobicContact CD1-CD2 4.36Å; L310-F320 HydrophobicContact CD1-CE2 3.47Å; L310-F320 VanDerWaalsContact CD1-CE2 3.47Å; L310-F320 HydrophobicContact CD1-CZ 4.03Å; L310-F320 HydrophobicContact CG-CD2 4.19Å; L310-F320 HydrophobicContact CG-CE2 3.67Å; Q318-F320 HydrophobicContact CB-CE2 3.68Å; Q318-F320 HydrophobicContact CB-CZ 4.06Å
321	G	97.2	Very high	96	Very high	23 Å²	23	59.3 Å²	59.3	24%	0.237	33%	0.328	C	S	.	.	S	Bend	trans	-111.6	-154.1	178.9	0	0	0	0	0	113.5	C350	G321-C350 VanDerWaalsContact CA-SG 3.55Å
322	C	98.1	Very high	95.7	Very high	8 Å²	8	63.7 Å²	63.7	5%	0.054	36%	0.356	C	S	.	.			trans	-75.3	158.4	-179	63.6	0	0	0	0	112.5	T326 P327 C350	C322-T326 WeakPolarHBondContact CA-OG1 3.32Å; C322-P327 WeakPolarHBondContact CB-O 3.18Å; C322-C350 PolarHBondContact N-SG 3.28Å
323	T	98.1	Very high	95.5	Very high	52 Å²	52	63.3 Å²	63.3	32%	0.319	36%	0.356	S	S	.	.			trans	-134.5	-177.5	179.4	71.2	0	0	0	0	109.2	E325 T326 N444	T323-E325 VanDerWaalsContact CB-OE2 3.25Å; T323-E325 WeakPolarHBondContact CB-OE2 3.38Å; T323-E325 PolarHBondContact O-N 3.28Å; T323-E325 PolarHBondContact OG1-N 3.43Å; T323-E325 PolarHBondContact OG1-OE2 2.86Å; T323-T326 PolarHBondContact N-OG1 2.97Å; T323-T326 PolarHBondContact O-N 2.93Å; T323-T326 VanDerWaalsContact O-O 3.12Å; T323-T326 PolarHBondContact O-OG1 3.49Å; T323-T326 PolarHBondContact OG1-OG1 3.06Å; T323-T326 VanDerWaalsContact OG1-OG1 3.14Å; T323-N444 PolarHBondContact O-ND2 3.2Å
324	K	97.5	Very high	95.3	Very high	42 Å²	42	68.8 Å²	68.8	18%	0.183	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-22.7	176.5	-157.2	167.1	-163.8	169.9	0	112.3	N423 Y440 S441	K324-N423 WeakPolarHBondContact CE-O 3.44Å; K324-N423 PolarHBondContact NZ-O 3.27Å; K324-Y440 HydrophobicContact CB-CD1 4.43Å; K324-Y440 HydrophobicContact CB-CE1 3.77Å; K324-Y440 HydrophobicContact CD-CE2 4.29Å; K324-Y440 WeakPolarHBondContact CE-O 3.36Å; K324-Y440 HydrophobicContact CG-CD1 4.32Å; K324-Y440 HydrophobicContact CG-CE1 4.03Å; K324-Y440 HydrophobicContact CG-CE2 4.41Å; K324-S441 VanDerWaalsContact O-CB 3.3Å; K324-S441 WeakPolarHBondContact O-CB 3.35Å; K324-S441 PolarHBondContact O-OG 3.43Å
325	E	98.1	Very high	95	Very high	146 Å²	146	68 Å²	68	68%	0.682	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	3.4	-177.7	-50.5	70.7	-152.2	0	0	113.2	T323	T323-E325 VanDerWaalsContact CB-OE2 3.25Å; T323-E325 WeakPolarHBondContact CB-OE2 3.38Å; T323-E325 PolarHBondContact O-N 3.28Å; T323-E325 PolarHBondContact OG1-N 3.43Å; T323-E325 PolarHBondContact OG1-OE2 2.86Å
326	T	98	Very high	94.7	Very high	53 Å²	53	68.4 Å²	68.4	33%	0.325	37%	0.366	S	S	.	.	S	Bend	trans	-131.2	153.8	-176	53.2	0	0	0	0	111.4	C322 T323 N444	C322-T326 WeakPolarHBondContact CA-OG1 3.32Å; T323-T326 PolarHBondContact N-OG1 2.97Å; T323-T326 PolarHBondContact O-N 2.93Å; T323-T326 VanDerWaalsContact O-O 3.12Å; T323-T326 PolarHBondContact O-OG1 3.49Å; T323-T326 PolarHBondContact OG1-OG1 3.06Å; T323-T326 VanDerWaalsContact OG1-OG1 3.14Å; T326-N444 VanDerWaalsContact O-CB 3.28Å; T326-N444 WeakPolarHBondContact O-CB 3.49Å; T326-N444 PolarHBondContact O-ND2 3.26Å
327	P	98.3	Very high	94.3	Very high	98 Å²	98	62.5 Å²	62.5	64%	0.636	34%	0.341	S	S	*	.			trans	-54.2	149.2	170.2	-25.6	35.6	0	0	0	112.9	C322 A443	C322-P327 WeakPolarHBondContact CB-O 3.18Å; P327-A443 VanDerWaalsContact CA-O 3.23Å; P327-A443 WeakPolarHBondContact CA-O 3.43Å
328	R	98	Very high	94.2	Very high	44 Å²	44	58.6 Å²	58.6	17%	0.166	32%	0.323	C	S	.	.			trans	-58.7	158.7	170	74.8	-175	-174.1	-171.8	4	110.5	F330 G331 N444 H445 L446	R328-F330 VanDerWaalsContact C-N 3.27Å; R328-F330 WeakPolarHBondContact CG-O 3.41Å; R328-F330 PolarHBondContact NE-O 3.48Å; R328-F330 PolarHBondContact O-N 2.95Å; R328-G331 PolarHBondContact NH2-O 3.18Å; R328-N444 WeakPolarHBondContact CB-OD1 3.5Å; R328-H445 PolarHBondContact NH1-O 2.92Å; R328-L446 HydrophobicContact CB-CD1 4.16Å; R328-L446 HydrophobicContact CB-CD2 4.24Å; R328-L446 HydrophobicContact CB-CG 3.76Å
329	C	97.9	Very high	93.9	Very high	41 Å²	41	59.2 Å²	59.2	28%	0.277	33%	0.329	S	S	.	.	S	Bend	trans	-72.3	-15.5	-168.6	-73.5	0	0	0	0	115.4	P348 C350	C329-P348 HydrophobicContact CB-CB 4.01Å; C329-P348 HydrophobicContact CB-CG 3.71Å; C329-C350 PolarHBondContact SG-SG 3.39Å
330	F	96.3	Very high	93.7	Very high	6 Å²	6	55 Å²	55	3%	0.026	31%	0.312	C	S	.	.	S	Bend	trans	-123.7	150.4	-179.6	55.1	-88.9	0	0	0	109.9	R328 V333 P338 D339 Y340 C351 L446	R328-F330 VanDerWaalsContact C-N 3.27Å; R328-F330 WeakPolarHBondContact CG-O 3.41Å; R328-F330 PolarHBondContact NE-O 3.48Å; R328-F330 PolarHBondContact O-N 2.95Å; F330-V333 HydrophobicContact CD2-CG2 4.11Å; F330-V333 HydrophobicContact CE2-CG2 3.93Å; F330-P338 HydrophobicContact CD2-CB 4.32Å; F330-D339 WeakPolarHBondContact CB-OD1 3.35Å; F330-Y340 HydrophobicContact CB-CD1 4.19Å; F330-Y340 AromaticContact CD1-CD1 3.92Å; F330-Y340 HydrophobicContact CD1-CD1 3.92Å; F330-Y340 AromaticContact CD1-CE1 3.74Å; F330-Y340 HydrophobicContact CD1-CE1 3.74Å; F330-Y340 HydrophobicContact CE1-CE1 4.01Å; F330-Y340 HydrophobicContact CG-CD1 4.12Å; F330-Y340 HydrophobicContact CG-CE1 4.06Å; F330-C351 HydrophobicContact CE1-CB 4.29Å; F330-L446 HydrophobicContact CE1-CD2 3.87Å; F330-L446 HydrophobicContact CZ-CD2 3.7Å
331	G	91.9	Very high	93.4	Very high	45 Å²	45	53.7 Å²	53.7	46%	0.464	31%	0.307	S	S	.	.			trans	-69.9	-160.2	-177.6	0	0	0	0	0	114.3	R328 V333	R328-G331 PolarHBondContact NH2-O 3.18Å; G331-V333 PolarHBondContact O-N 2.94Å
332	T	92	Very high	93	Very high	128 Å²	128	58.1 Å²	58.1	79%	0.785	32%	0.318	S	S	*	.	S	Bend	trans	-61.5	128.3	168.1	-53.5	0	0	0	0	109.2
333	V	90.6	Very high	92.5	Very high	32 Å²	32	62.7 Å²	62.7	19%	0.194	34%	0.341	C	S	.	.			trans	-70.5	136.1	177.7	179.4	0	0	0	0	108.4	F330 G331 P338 Y394	F330-V333 HydrophobicContact CD2-CG2 4.11Å; F330-V333 HydrophobicContact CE2-CG2 3.93Å; G331-V333 PolarHBondContact O-N 2.94Å; V333-P338 HydrophobicContact CG1-CG 4.14Å; V333-P338 HydrophobicContact CG2-CB 4.35Å; V333-P338 HydrophobicContact CG2-CG 3.94Å; V333-Y394 HydrophobicContact CG1-CE1 4.21Å; V333-Y394 HydrophobicContact CG2-CD2 4.26Å; V333-Y394 HydrophobicContact CG2-CE2 4.25Å; V333-Y394 HydrophobicContact CG2-CG 4.43Å
334	Q	86.4	Confident	92.2	Very high	142 Å²	142	63.9 Å²	63.9	66%	0.664	35%	0.345	S	S	*	.	B	Isolated β-bridge	trans	-119	130.8	176.5	-64.7	-174.6	2.7	0	0	108.9	D336 T337	Q334-D336 PolarHBondContact O-N 2.98Å; Q334-T337 PolarHBondContact O-N 3.44Å
335	D	83.7	Confident	92	Very high	105 Å²	105	63.9 Å²	63.9	56%	0.561	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.6	48.2	-178.9	-48.5	-39.9	0	0	0	113	T337 K521	D335-T337 PolarHBondContact O-N 3.12Å; D335-T337 PolarHBondContact O-OG1 2.84Å; D335-K521 IonicContact OD2-NZ 2.78Å; D335-K521 PolarHBondContact OD2-NZ 3.39Å
336	D	83.6	Confident	92	Very high	68 Å²	68	59 Å²	59	36%	0.364	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	20.1	179.3	-46.4	-39.5	0	0	0	115	Q334 H468 P517	Q334-D336 PolarHBondContact O-N 2.98Å; D336-H468 VanDerWaalsContact CG-CE1 3.41Å; D336-H468 IonicContact OD1-CE1 3.32Å; D336-H468 IonicContact OD1-NE2 2.86Å; D336-H468 IonicContact OD2-CE1 3.98Å; D336-H468 PolarHBondContact OD2-CE1 3.23Å; D336-H468 IonicContact OD2-ND1 3.23Å; D336-P517 WeakPolarHBondContact O-CB 3.32Å
337	T	87.8	Confident	92	Very high	10 Å²	10	56.5 Å²	56.5	6%	0.061	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-124.7	97.8	-175.3	-49	0	0	0	0	110.8	Q334 D335 L341 Y342	Q334-T337 PolarHBondContact O-N 3.44Å; D335-T337 PolarHBondContact O-N 3.12Å; D335-T337 PolarHBondContact O-OG1 2.84Å; T337-L341 HydrophobicContact CG2-CB 4.21Å; T337-L341 HydrophobicContact CG2-CD1 4.1Å; T337-Y342 HydrophobicContact CG2-CD2 4.23Å; T337-Y342 HydrophobicContact CG2-CE1 4.47Å; T337-Y342 HydrophobicContact CG2-CE2 3.47Å; T337-Y342 VanDerWaalsContact CG2-CE2 3.47Å
338	P	92.4	Very high	92	Very high	1 Å²	1	52 Å²	52	1%	0.006	28%	0.275	C	S	.	.			trans	-63.2	153.8	174.9	-24.7	35.3	0	0	0	113.3	F330 V333 Y340 L341 Y394	F330-P338 HydrophobicContact CD2-CB 4.32Å; V333-P338 HydrophobicContact CG1-CG 4.14Å; V333-P338 HydrophobicContact CG2-CB 4.35Å; V333-P338 HydrophobicContact CG2-CG 3.94Å; P338-Y340 HydrophobicContact CB-CD1 3.66Å; P338-Y340 HydrophobicContact CB-CD2 4.49Å; P338-Y340 HydrophobicContact CB-CE1 3.24Å; P338-Y340 HydrophobicContact CB-CE2 4.12Å; P338-Y340 HydrophobicContact CB-CG 4.27Å; P338-Y340 VanDerWaalsContact CB-CZ 3.49Å; P338-Y340 HydrophobicContact CG-CE1 3.84Å; P338-Y340 HydrophobicContact CG-CE2 4.42Å; P338-Y340 WeakPolarHBondContact CG-OH 3.5Å; P338-Y340 PolarHBondContact O-N 2.88Å; P338-Y340 VanDerWaalsContact O-N 3.17Å; P338-L341 PolarHBondContact O-N 2.99Å; P338-L341 VanDerWaalsContact O-N 3.13Å; P338-Y394 HydrophobicContact CG-CD1 3.31Å; P338-Y394 HydrophobicContact CG-CE1 3.82Å; P338-Y394 HydrophobicContact CG-CG 3.98Å
339	D	91.6	Very high	92	Very high	76 Å²	76	50.5 Å²	50.5	41%	0.406	27%	0.271	S	S	.	.	H	α-helix	trans	-55.9	-35	-176.8	60.8	12.1	0	0	0	113.8	F330 L341 Y342 L343	F330-D339 WeakPolarHBondContact CB-OD1 3.35Å; D339-L341 PolarHBondContact O-N 3.46Å; D339-Y342 WeakPolarHBondContact O-CB 3.29Å; D339-Y342 PolarHBondContact O-N 2.93Å; D339-Y342 VanDerWaalsContact O-N 3.09Å; D339-L343 PolarHBondContact O-N 3.24Å
340	Y	93.3	Very high	92	Very high	1 Å²	1	48.6 Å²	48.6	0%	0.004	26%	0.258	C	S	.	.	H	α-helix	trans	-64.4	-25.6	-178.1	56.9	-106.5	0	0	0	113.4	F330 P338 Y342 L343 R345 T347 W392	F330-Y340 HydrophobicContact CB-CD1 4.19Å; F330-Y340 AromaticContact CD1-CD1 3.92Å; F330-Y340 HydrophobicContact CD1-CD1 3.92Å; F330-Y340 AromaticContact CD1-CE1 3.74Å; F330-Y340 HydrophobicContact CD1-CE1 3.74Å; F330-Y340 HydrophobicContact CE1-CE1 4.01Å; F330-Y340 HydrophobicContact CG-CD1 4.12Å; F330-Y340 HydrophobicContact CG-CE1 4.06Å; P338-Y340 HydrophobicContact CB-CD1 3.66Å; P338-Y340 HydrophobicContact CB-CD2 4.49Å; P338-Y340 HydrophobicContact CB-CE1 3.24Å; P338-Y340 HydrophobicContact CB-CE2 4.12Å; P338-Y340 HydrophobicContact CB-CG 4.27Å; P338-Y340 VanDerWaalsContact CB-CZ 3.49Å; P338-Y340 HydrophobicContact CG-CE1 3.84Å; P338-Y340 HydrophobicContact CG-CE2 4.42Å; P338-Y340 WeakPolarHBondContact CG-OH 3.5Å; P338-Y340 PolarHBondContact O-N 2.88Å; P338-Y340 VanDerWaalsContact O-N 3.17Å; Y340-Y342 VanDerWaalsContact C-N 3.32Å; Y340-L343 WeakPolarHBondContact O-CB 3.36Å; Y340-L343 PolarHBondContact O-N 3.05Å; Y340-L343 VanDerWaalsContact O-N 3.16Å; Y340-R345 CarbonylContact O-C 3.57Å; Y340-R345 WeakPolarHBondContact O-CA 3.07Å; Y340-R345 PolarHBondContact O-N 3.44Å; Y340-T347 HydrophobicContact CE1-CG2 4.35Å; Y340-T347 VanDerWaalsContact CZ-OG1 3.29Å; Y340-T347 PolarHBondContact OH-OG1 3.1Å; Y340-W392 PolarHBondContact OH-O 3.13Å
341	L	91.1	Very high	92.1	Very high	7 Å²	7	48.3 Å²	48.3	4%	0.037	26%	0.257	C	S	.	.	H	α-helix	trans	-69.4	-33.2	176.2	-67.6	-177.7	0	0	0	111.7	T337 P338 D339 L343 D344 W392 Y516 P517	T337-L341 HydrophobicContact CG2-CB 4.21Å; T337-L341 HydrophobicContact CG2-CD1 4.1Å; P338-L341 PolarHBondContact O-N 2.99Å; P338-L341 VanDerWaalsContact O-N 3.13Å; D339-L341 PolarHBondContact O-N 3.46Å; L341-L343 PolarHBondContact O-N 3.32Å; L341-D344 PolarHBondContact O-N 3.09Å; L341-W392 HydrophobicContact CD2-CB 4.08Å; L341-Y516 HydrophobicContact CD2-CD1 4.11Å; L341-Y516 HydrophobicContact CD2-CE1 4.31Å; L341-P517 HydrophobicContact CD1-CG 4.48Å
342	Y	88.3	Confident	92.5	Very high	116 Å²	116	46.9 Å²	46.9	46%	0.455	24%	0.239	S	C	.	.	H	α-helix	trans	-70.9	-21.1	172.6	-61.9	-81.7	0	0	0	112.5	T337 D339 Y340 D344	T337-Y342 HydrophobicContact CG2-CD2 4.23Å; T337-Y342 HydrophobicContact CG2-CE1 4.47Å; T337-Y342 HydrophobicContact CG2-CE2 3.47Å; T337-Y342 VanDerWaalsContact CG2-CE2 3.47Å; D339-Y342 WeakPolarHBondContact O-CB 3.29Å; D339-Y342 PolarHBondContact O-N 2.93Å; D339-Y342 VanDerWaalsContact O-N 3.09Å; Y340-Y342 VanDerWaalsContact C-N 3.32Å; Y342-D344 VanDerWaalsContact C-N 3.26Å; Y342-D344 PolarHBondContact O-N 3.26Å
343	L	88.6	Confident	92.8	Very high	103 Å²	103	44.7 Å²	44.7	54%	0.539	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	5.1	173.7	-60.3	178.1	0	0	0	113.3	W207 D339 Y340 L341 R345	W207-L343 HydrophobicContact CH2-CD1 4.08Å; D339-L343 PolarHBondContact O-N 3.24Å; Y340-L343 WeakPolarHBondContact O-CB 3.36Å; Y340-L343 PolarHBondContact O-N 3.05Å; Y340-L343 VanDerWaalsContact O-N 3.16Å; L341-L343 PolarHBondContact O-N 3.32Å; L343-R345 HydrophobicContact CB-CB 4.47Å; L343-R345 HydrophobicContact CB-CG 4.1Å; L343-R345 WeakPolarHBondContact O-CG 3.17Å; L343-R345 PolarHBondContact O-N 3.14Å
344	D	90.1	Very high	93.2	Very high	78 Å²	78	43.2 Å²	43.2	42%	0.417	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	30.8	-169.5	-79.3	-50.6	0	0	0	113.6	L341 Y342 K522	L341-D344 PolarHBondContact O-N 3.09Å; Y342-D344 VanDerWaalsContact C-N 3.26Å; Y342-D344 PolarHBondContact O-N 3.26Å; D344-K522 WeakPolarHBondContact OD1-CE 3.46Å; D344-K522 IonicContact OD1-NZ 3.26Å; D344-K522 PolarHBondContact OD1-NZ 3.01Å
345	R	94.5	Very high	93.8	Very high	41 Å²	41	36.4 Å²	36.4	16%	0.155	18%	0.175	C	C	.	.			trans	-113.1	166.5	177.8	-59.3	-178.8	-177.4	-139.9	3.7	110.8	L204 W207 G306 Y340 L343	L204-R345 WeakPolarHBondContact O-CD 3.39Å; L204-R345 WeakPolarHBondContact O-CG 3.26Å; W207-R345 HydrophobicContact CH2-CB 4.46Å; W207-R345 HydrophobicContact CZ2-CB 3.56Å; W207-R345 HydrophobicContact CZ2-CG 4.03Å; G306-R345 PolarHBondContact O-NH1 3.18Å; Y340-R345 CarbonylContact O-C 3.57Å; Y340-R345 WeakPolarHBondContact O-CA 3.07Å; Y340-R345 PolarHBondContact O-N 3.44Å; L343-R345 HydrophobicContact CB-CB 4.47Å; L343-R345 HydrophobicContact CB-CG 4.1Å; L343-R345 WeakPolarHBondContact O-CG 3.17Å; L343-R345 PolarHBondContact O-N 3.14Å
346	W	96.7	Very high	94.5	Very high	43 Å²	43	34.9 Å²	34.9	16%	0.163	16%	0.162	C	C	.	.			trans	-99.8	-177.2	171.6	-76.4	-12.3	0	0	0	110.2	K205 E206 W207 P391 W392 Y516	K205-W346 HydrophobicContact CD-CD2 3.74Å; K205-W346 HydrophobicContact CD-CE3 4.14Å; K205-W346 HydrophobicContact CD-CG 4.12Å; K205-W346 HydrophobicContact CD-CH2 4.45Å; K205-W346 HydrophobicContact CD-CZ2 4.09Å; K205-W346 HydrophobicContact CD-CZ3 4.46Å; K205-W346 HydrophobicContact CG-CB 4.32Å; K205-W346 HydrophobicContact CG-CD2 3.89Å; K205-W346 HydrophobicContact CG-CE3 4.36Å; K205-W346 HydrophobicContact CG-CG 3.81Å; K205-W346 WeakPolarHBondContact O-CB 3.46Å; K205-W346 PolarHBondContact O-N 3.46Å; E206-W346 HydrophobicContact CG-CE3 4.08Å; W207-W346 PolarHBondContact NE1-O 3.16Å; W346-P391 WeakPolarHBondContact CB-O 3.44Å; W346-P391 HydrophobicContact CD2-CB 3.94Å; W346-P391 HydrophobicContact CE3-CB 3.54Å; W346-P391 HydrophobicContact CE3-CG 4.38Å; W346-P391 HydrophobicContact CG-CB 4.49Å; W346-P391 HydrophobicContact CZ3-CB 3.87Å; W346-P391 HydrophobicContact CZ3-CG 4.23Å; W346-W392 HydrophobicContact CD2-CE3 4.14Å; W346-W392 AromaticContact CE2-CE3 3.44Å; W346-W392 VanDerWaalsContact CE2-CE3 3.44Å; W346-W392 AromaticContact CE2-CZ3 3.85Å; W346-W392 HydrophobicContact CG-CB 4.25Å; W346-W392 HydrophobicContact CG-CE3 4.46Å; W346-W392 HydrophobicContact CH2-CE3 4.47Å; W346-W392 HydrophobicContact CH2-CZ3 4.17Å; W346-W392 AromaticContact CZ2-CE3 3.63Å; W346-W392 HydrophobicContact CZ2-CE3 3.63Å; W346-W392 AromaticContact CZ2-CZ3 3.5Å; W346-W392 HydrophobicContact CZ2-CZ3 3.5Å; W346-W392 VanDerWaalsContact CZ2-CZ3 3.5Å; W346-W392 AromaticContact NE1-CE3 3.4Å; W346-Y516 AromaticContact NE1-CE1 3.5Å; W346-Y516 AromaticContact NE1-CZ 3.78Å; W346-Y516 PolarHBondContact NE1-OH 3.3Å; W346-Y516 VanDerWaalsContact NE1-OH 3.17Å
347	T	98.2	Very high	95.2	Very high	2 Å²	2	35 Å²	35	1%	0.012	16%	0.16	C	C	.	.			trans	-60.4	133.8	-178.5	-52	0	0	0	0	109.8	Y340 C351 L352 P391 W392 D393	Y340-T347 HydrophobicContact CE1-CG2 4.35Å; Y340-T347 VanDerWaalsContact CZ-OG1 3.29Å; Y340-T347 PolarHBondContact OH-OG1 3.1Å; T347-C351 HydrophobicContact CG2-CB 3.95Å; T347-L352 HydrophobicContact CG2-CD2 3.86Å; T347-L352 HydrophobicContact CG2-CG 3.85Å; T347-P391 VanDerWaalsContact CB-O 3.28Å; T347-P391 WeakPolarHBondContact CB-O 3.22Å; T347-P391 PolarHBondContact N-O 3.24Å; T347-P391 PolarHBondContact OG1-O 3.06Å; T347-W392 VanDerWaalsContact OG1-CA 3.27Å; T347-W392 WeakPolarHBondContact OG1-CA 3.38Å; T347-D393 WeakPolarHBondContact CB-O 3.41Å; T347-D393 VanDerWaalsContact CG2-O 3.3Å; T347-D393 WeakPolarHBondContact CG2-O 3.17Å; T347-D393 PolarHBondContact OG1-N 3.17Å; T347-D393 PolarHBondContact OG1-O 3.49Å
348	P	98.6	Very high	95.7	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.019	16%	0.157	C	C	.	.			trans	-54	135.1	176.4	-29.2	37.4	0	0	0	111.4	W207 C329 C350 C351 L352	W207-P348 HydrophobicContact CD2-CG 4.46Å; W207-P348 HydrophobicContact CZ2-CG 4.1Å; C329-P348 HydrophobicContact CB-CB 4.01Å; C329-P348 HydrophobicContact CB-CG 3.71Å; P348-C350 PolarHBondContact O-N 3.3Å; P348-C350 VanDerWaalsContact O-N 3.13Å; P348-C351 HydrophobicContact CB-CB 4.38Å; P348-C351 WeakPolarHBondContact O-CA 3.33Å; P348-C351 WeakPolarHBondContact O-CB 3.45Å; P348-C351 PolarHBondContact O-N 3.38Å; P348-L352 PolarHBondContact O-N 3.37Å; P348-L352 VanDerWaalsContact O-N 3.1Å
349	P	98.5	Very high	96	Very high	13 Å²	13	34.4 Å²	34.4	8%	0.084	16%	0.157	C	C	.	.	H	α-helix	trans	-63.7	-26.8	-173.2	24.7	-35.4	0	0	0	112.8	E206 W207 K308 R309 W319 R353	E206-P349 WeakPolarHBondContact O-CD 3.48Å; W207-P349 HydrophobicContact CB-CG 4.31Å; K308-P349 HydrophobicContact CB-CG 4.05Å; R309-P349 HydrophobicContact CB-CB 4.46Å; R309-P349 HydrophobicContact CB-CG 3.88Å; W319-P349 HydrophobicContact CH2-CB 4.32Å; W319-P349 HydrophobicContact CZ3-CB 3.95Å; W319-P349 HydrophobicContact CZ3-CG 4.19Å; P349-R353 WeakPolarHBondContact O-CB 3.44Å; P349-R353 PolarHBondContact O-N 2.87Å
350	C	98.5	Very high	96.4	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.007	16%	0.159	C	C	.	.	H	α-helix	trans	-67.7	-35.2	173.3	51.1	0	0	0	0	112.1	W319 G321 C322 C329 P348 R353 A354	W319-C350 HydrophobicContact CE3-CB 3.99Å; W319-C350 HydrophobicContact CZ3-CB 4.06Å; G321-C350 VanDerWaalsContact CA-SG 3.55Å; C322-C350 PolarHBondContact N-SG 3.28Å; C329-C350 PolarHBondContact SG-SG 3.39Å; P348-C350 PolarHBondContact O-N 3.3Å; P348-C350 VanDerWaalsContact O-N 3.13Å; C350-R353 PolarHBondContact O-N 3.37Å; C350-A354 PolarHBondContact O-N 3.4Å; C350-A354 VanDerWaalsContact O-N 3.09Å
351	C	98.7	Very high	96.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-70.1	-46.7	174.5	-61.1	0	0	0	0	110.7	F330 T347 P348 R353 A354 L355 L446	F330-C351 HydrophobicContact CE1-CB 4.29Å; T347-C351 HydrophobicContact CG2-CB 3.95Å; P348-C351 HydrophobicContact CB-CB 4.38Å; P348-C351 WeakPolarHBondContact O-CA 3.33Å; P348-C351 WeakPolarHBondContact O-CB 3.45Å; P348-C351 PolarHBondContact O-N 3.38Å; C351-R353 VanDerWaalsContact C-N 3.26Å; C351-R353 PolarHBondContact O-N 3.16Å; C351-A354 PolarHBondContact O-N 3.09Å; C351-A354 VanDerWaalsContact O-N 3.14Å; C351-L355 WeakPolarHBondContact O-CG 3.47Å; C351-L355 PolarHBondContact O-N 3.24Å; C351-L446 VanDerWaalsContact CA-CD1 3.46Å; C351-L446 HydrophobicContact CB-CD1 3.65Å; C351-L446 HydrophobicContact CB-CD2 3.88Å; C351-L446 HydrophobicContact CB-CG 4.43Å
352	L	98.8	Very high	97	Very high	15 Å²	15	37.3 Å²	37.3	8%	0.079	17%	0.165	C	C	.	.	H	α-helix	trans	-58.7	-38.8	173.8	-66.4	174.1	0	0	0	111.8	T347 P348 L355 R356 I389	T347-L352 HydrophobicContact CG2-CD2 3.86Å; T347-L352 HydrophobicContact CG2-CG 3.85Å; P348-L352 PolarHBondContact O-N 3.37Å; P348-L352 VanDerWaalsContact O-N 3.1Å; L352-L355 HydrophobicContact CD2-CD1 4.44Å; L352-L355 PolarHBondContact O-N 3.21Å; L352-R356 VanDerWaalsContact O-CG 3.29Å; L352-R356 WeakPolarHBondContact O-CG 3.48Å; L352-R356 PolarHBondContact O-N 2.97Å; L352-R356 PolarHBondContact O-NH1 3.32Å; L352-I389 HydrophobicContact CD2-CB 4.25Å; L352-I389 HydrophobicContact CD2-CG2 3.88Å
353	R	98.6	Very high	97.5	Very high	81 Å²	81	31.9 Å²	31.9	31%	0.306	14%	0.143	S	C	.	.	H	α-helix	trans	-60.2	-47.9	174.6	-172.8	-173.2	68.5	73.5	4.4	111.6	W319 P349 C350 C351 R356 E357	W319-R353 HydrophobicContact CH2-CB 4.34Å; P349-R353 WeakPolarHBondContact O-CB 3.44Å; P349-R353 PolarHBondContact O-N 2.87Å; C350-R353 PolarHBondContact O-N 3.37Å; C351-R353 VanDerWaalsContact C-N 3.26Å; C351-R353 PolarHBondContact O-N 3.16Å; R353-R356 PolarHBondContact O-N 2.87Å; R353-E357 IonicContact NH1-OE2 2.92Å; R353-E357 PolarHBondContact NH1-OE2 3.1Å; R353-E357 WeakPolarHBondContact O-CB 3.5Å; R353-E357 PolarHBondContact O-N 3.36Å
354	A	98.8	Very high	98	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.008	14%	0.137	C	C	.	.	H	α-helix	trans	-63.7	-40.9	177.9	0	0	0	0	0	112	C350 C351 R356 E357 T358 Y440 L446	C350-A354 PolarHBondContact O-N 3.4Å; C350-A354 VanDerWaalsContact O-N 3.09Å; C351-A354 PolarHBondContact O-N 3.09Å; C351-A354 VanDerWaalsContact O-N 3.14Å; A354-R356 PolarHBondContact O-N 3.14Å; A354-E357 WeakPolarHBondContact O-CB 3.21Å; A354-E357 PolarHBondContact O-N 3.46Å; A354-T358 PolarHBondContact O-N 3.02Å; A354-T358 PolarHBondContact O-OG1 3.48Å; A354-Y440 HydrophobicContact CB-CD1 3.66Å; A354-Y440 HydrophobicContact CB-CD2 4.3Å; A354-Y440 HydrophobicContact CB-CE1 3.64Å; A354-Y440 HydrophobicContact CB-CE2 4.31Å; A354-Y440 HydrophobicContact CB-CG 4Å; A354-L446 HydrophobicContact CB-CD1 3.67Å
355	L	98.9	Very high	98.3	Very high	0 Å²	0	28 Å²	28	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61	-45	175.3	-70.8	170.1	0	0	0	112.2	C351 L352 E357 T358 T359 I389 Y394 V396 L446 H447	C351-L355 WeakPolarHBondContact O-CG 3.47Å; C351-L355 PolarHBondContact O-N 3.24Å; L352-L355 HydrophobicContact CD2-CD1 4.44Å; L352-L355 PolarHBondContact O-N 3.21Å; L355-E357 VanDerWaalsContact C-N 3.3Å; L355-E357 PolarHBondContact O-N 3.07Å; L355-T358 PolarHBondContact O-N 3.43Å; L355-T359 VanDerWaalsContact O-CB 3.29Å; L355-T359 WeakPolarHBondContact O-CB 3.38Å; L355-T359 PolarHBondContact O-N 2.74Å; L355-T359 PolarHBondContact O-OG1 2.78Å; L355-I389 HydrophobicContact CB-CD1 3.49Å; L355-I389 VanDerWaalsContact CB-CD1 3.49Å; L355-I389 HydrophobicContact CD1-CD1 4.35Å; L355-Y394 WeakPolarHBondContact CD1-O 3.23Å; L355-V396 HydrophobicContact CB-CG2 4.46Å; L355-L446 HydrophobicContact CD1-CD2 4.4Å; L355-L446 HydrophobicContact CD2-CB 3.93Å; L355-L446 HydrophobicContact CD2-CD2 4.25Å; L355-L446 HydrophobicContact CG-CB 4.37Å; L355-L446 HydrophobicContact CG-CD2 4.21Å; L355-H447 WeakPolarHBondContact CD2-O 3.41Å
356	R	98.8	Very high	98.5	Very high	72 Å²	72	26 Å²	26	27%	0.272	12%	0.116	S	C	.	.	H	α-helix	trans	-60.9	-40.6	174.7	-65.8	-176.6	-167.2	95.8	-6.6	111.8	L352 R353 A354 K360 D388 I389 A488	L352-R356 VanDerWaalsContact O-CG 3.29Å; L352-R356 WeakPolarHBondContact O-CG 3.48Å; L352-R356 PolarHBondContact O-N 2.97Å; L352-R356 PolarHBondContact O-NH1 3.32Å; R353-R356 PolarHBondContact O-N 2.87Å; A354-R356 PolarHBondContact O-N 3.14Å; R356-K360 WeakPolarHBondContact O-CB 3.41Å; R356-K360 PolarHBondContact O-N 2.9Å; R356-D388 IonicContact CZ-OD1 3.53Å; R356-D388 IonicContact CZ-OD2 3.08Å; R356-D388 VanDerWaalsContact CZ-OD2 3.24Å; R356-D388 VanDerWaalsContact NE-CG 3.29Å; R356-D388 IonicContact NE-OD1 3.63Å; R356-D388 PolarHBondContact NE-OD1 3.02Å; R356-D388 IonicContact NE-OD2 3.81Å; R356-D388 PolarHBondContact NE-OD2 3.2Å; R356-D388 IonicContact NH2-OD1 3.68Å; R356-D388 IonicContact NH2-OD2 3.71Å; R356-D388 PolarHBondContact NH2-OD2 3.49Å; R356-I389 HydrophobicContact CG-CD1 3.83Å; R356-I389 HydrophobicContact CG-CG1 4.49Å; R356-A488 HydrophobicContact CB-CB 4.13Å; R356-A488 HydrophobicContact CG-CB 3.76Å
357	E	98.7	Very high	98.6	Very high	70 Å²	70	28 Å²	28	33%	0.327	13%	0.127	S	C	.	.	H	α-helix	trans	-63.5	-49.8	177.7	-167.1	-178.8	140.8	0	0	111.6	R353 A354 L355 K360 Y361 Y440	R353-E357 IonicContact NH1-OE2 2.92Å; R353-E357 PolarHBondContact NH1-OE2 3.1Å; R353-E357 WeakPolarHBondContact O-CB 3.5Å; R353-E357 PolarHBondContact O-N 3.36Å; A354-E357 WeakPolarHBondContact O-CB 3.21Å; A354-E357 PolarHBondContact O-N 3.46Å; L355-E357 VanDerWaalsContact C-N 3.3Å; L355-E357 PolarHBondContact O-N 3.07Å; E357-K360 PolarHBondContact O-N 2.92Å; E357-Y361 WeakPolarHBondContact O-CB 3.09Å; E357-Y361 PolarHBondContact O-N 3.4Å; E357-Y440 HydrophobicContact CB-CE2 4.35Å; E357-Y440 VanDerWaalsContact CD-OH 3.31Å; E357-Y440 HydrophobicContact CG-CE2 4.22Å; E357-Y440 WeakPolarHBondContact OE1-CE2 3.21Å; E357-Y440 PolarHBondContact OE1-OH 3Å; E357-Y440 VanDerWaalsContact OE1-OH 3.13Å; E357-Y440 PolarHBondContact OE2-OH 3.19Å
358	T	98.8	Very high	98.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.6	-44	175.8	-52.5	0	0	0	0	111.5	A354 L355 K360 Y361 V362 Y425 V438 Y440 V448	A354-T358 PolarHBondContact O-N 3.02Å; A354-T358 PolarHBondContact O-OG1 3.48Å; L355-T358 PolarHBondContact O-N 3.43Å; T358-K360 PolarHBondContact O-N 3.09Å; T358-Y361 WeakPolarHBondContact O-CB 3.37Å; T358-Y361 PolarHBondContact O-N 3.03Å; T358-Y361 VanDerWaalsContact O-N 3.15Å; T358-V362 HydrophobicContact CG2-CG2 4.14Å; T358-V362 WeakPolarHBondContact O-CB 3.47Å; T358-V362 VanDerWaalsContact O-CG2 3.29Å; T358-V362 WeakPolarHBondContact O-CG2 3.41Å; T358-V362 PolarHBondContact O-N 3.49Å; T358-Y425 HydrophobicContact CG2-CD1 4.03Å; T358-Y425 HydrophobicContact CG2-CE1 3.99Å; T358-V438 HydrophobicContact CG2-CG1 4.45Å; T358-Y440 VanDerWaalsContact OG1-CD2 3.29Å; T358-Y440 WeakPolarHBondContact OG1-CD2 3.31Å; T358-V448 HydrophobicContact CG2-CB 4.46Å; T358-V448 HydrophobicContact CG2-CG2 3.67Å
359	T	98.8	Very high	98.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-57.4	-50.1	178.2	-59.8	0	0	0	0	111.2	L355 Y361 V362 I363 V396 F487	L355-T359 VanDerWaalsContact O-CB 3.29Å; L355-T359 WeakPolarHBondContact O-CB 3.38Å; L355-T359 PolarHBondContact O-N 2.74Å; L355-T359 PolarHBondContact O-OG1 2.78Å; T359-Y361 VanDerWaalsContact C-N 3.29Å; T359-Y361 PolarHBondContact O-N 2.82Å; T359-V362 PolarHBondContact O-N 2.96Å; T359-I363 HydrophobicContact CG2-CD1 3.88Å; T359-I363 WeakPolarHBondContact O-CB 3.25Å; T359-I363 WeakPolarHBondContact O-CG1 3.39Å; T359-I363 PolarHBondContact O-N 3.12Å; T359-V396 HydrophobicContact CG2-CG1 4.08Å; T359-V396 WeakPolarHBondContact OG1-CG2 3.21Å; T359-F487 HydrophobicContact CG2-CD1 4.19Å; T359-F487 HydrophobicContact CG2-CE1 3.91Å
360	K	98.8	Very high	98.5	Very high	107 Å²	107	36.2 Å²	36.2	47%	0.465	19%	0.192	S	C	.	.	H	α-helix	trans	-60.1	-41.4	177.5	177.4	174.2	-175.5	177.3	0	111.9	R356 E357 T358 N364 I490	R356-K360 WeakPolarHBondContact O-CB 3.41Å; R356-K360 PolarHBondContact O-N 2.9Å; E357-K360 PolarHBondContact O-N 2.92Å; T358-K360 PolarHBondContact O-N 3.09Å; K360-N364 WeakPolarHBondContact O-CB 3.42Å; K360-N364 PolarHBondContact O-N 3.14Å; K360-N364 PolarHBondContact O-ND2 3.01Å; K360-I490 HydrophobicContact CB-CD1 4.15Å; K360-I490 HydrophobicContact CB-CG2 4.34Å; K360-I490 HydrophobicContact CD-CG2 3.7Å; K360-I490 HydrophobicContact CG-CD1 4.38Å; K360-I490 HydrophobicContact CG-CG2 3.9Å
361	Y	98.7	Very high	98.5	Very high	38 Å²	38	36.4 Å²	36.4	15%	0.149	19%	0.193	C	C	.	.	H	α-helix	trans	-63.8	-48.9	178.6	-179.3	-101.8	0	0	0	112.1	E357 T358 T359 N364 I365 D421 N423 Y425 W427	E357-Y361 WeakPolarHBondContact O-CB 3.09Å; E357-Y361 PolarHBondContact O-N 3.4Å; T358-Y361 WeakPolarHBondContact O-CB 3.37Å; T358-Y361 PolarHBondContact O-N 3.03Å; T358-Y361 VanDerWaalsContact O-N 3.15Å; T359-Y361 VanDerWaalsContact C-N 3.29Å; T359-Y361 PolarHBondContact O-N 2.82Å; Y361-N364 PolarHBondContact O-N 3.15Å; Y361-I365 HydrophobicContact CD1-CD1 3.9Å; Y361-I365 HydrophobicContact CE1-CD1 3.32Å; Y361-I365 HydrophobicContact CE2-CD1 4.03Å; Y361-I365 HydrophobicContact CG-CD1 4.49Å; Y361-I365 PolarHBondContact O-N 2.95Å; Y361-D421 WeakPolarHBondContact CE1-OD2 3.45Å; Y361-D421 VanDerWaalsContact CZ-OD2 3.29Å; Y361-D421 PolarHBondContact OH-OD1 3.29Å; Y361-D421 PolarHBondContact OH-OD2 3.5Å; Y361-N423 HydrophobicContact CE2-CB 4.12Å; Y361-N423 WeakPolarHBondContact CE2-ND2 3.33Å; Y361-N423 PolarHBondContact OH-ND2 2.91Å; Y361-Y425 AromaticContact CD1-CD1 3.99Å; Y361-Y425 HydrophobicContact CD1-CD1 3.99Å; Y361-Y425 AromaticContact CD1-CD2 3.46Å; Y361-Y425 HydrophobicContact CD1-CD2 3.46Å; Y361-Y425 VanDerWaalsContact CD1-CD2 3.46Å; Y361-Y425 HydrophobicContact CD1-CE1 4Å; Y361-Y425 AromaticContact CD1-CE2 3.46Å; Y361-Y425 HydrophobicContact CD1-CE2 3.46Å; Y361-Y425 VanDerWaalsContact CD1-CE2 3.46Å; Y361-Y425 AromaticContact CD1-CG 3.72Å; Y361-Y425 HydrophobicContact CD1-CG 3.72Å; Y361-Y425 AromaticContact CD1-CZ 3.73Å; Y361-Y425 HydrophobicContact CD2-CD2 4.27Å; Y361-Y425 AromaticContact CD2-CE2 3.64Å; Y361-Y425 HydrophobicContact CD2-CE2 3.64Å; Y361-Y425 HydrophobicContact CE1-CD1 4.34Å; Y361-Y425 AromaticContact CE1-CD2 3.16Å; Y361-Y425 HydrophobicContact CE1-CD2 3.16Å; Y361-Y425 AromaticContact CE1-CE2 3.56Å; Y361-Y425 HydrophobicContact CE1-CE2 3.56Å; Y361-Y425 AromaticContact CE1-CG 3.6Å; Y361-Y425 HydrophobicContact CE1-CG 3.6Å; Y361-Y425 HydrophobicContact CE2-CD2 4.06Å; Y361-Y425 AromaticContact CE2-CE2 3.76Å; Y361-Y425 HydrophobicContact CE2-CE2 3.76Å; Y361-Y425 AromaticContact CG-CD2 3.99Å; Y361-Y425 HydrophobicContact CG-CD2 3.99Å; Y361-Y425 HydrophobicContact CG-CE1 4.22Å; Y361-Y425 AromaticContact CG-CE2 3.47Å; Y361-Y425 HydrophobicContact CG-CE2 3.47Å; Y361-Y425 VanDerWaalsContact CG-CE2 3.47Å; Y361-Y425 AromaticContact CG-CZ 3.6Å; Y361-Y425 AromaticContact CZ-CD2 3.49Å; Y361-Y425 VanDerWaalsContact CZ-CD2 3.49Å; Y361-Y425 AromaticContact CZ-CE2 3.7Å; Y361-W427 HydrophobicContact CD1-CZ2 4.45Å; Y361-W427 AromaticContact CE1-CZ2 3.99Å; Y361-W427 HydrophobicContact CE1-CZ2 3.99Å
362	V	98.6	Very high	98.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.3	-49.5	180	171.3	0	0	0	0	111.1	T358 T359 N364 I365 L366 L398 W427 V438 V448 L450	T358-V362 HydrophobicContact CG2-CG2 4.14Å; T358-V362 WeakPolarHBondContact O-CB 3.47Å; T358-V362 VanDerWaalsContact O-CG2 3.29Å; T358-V362 WeakPolarHBondContact O-CG2 3.41Å; T358-V362 PolarHBondContact O-N 3.49Å; T359-V362 PolarHBondContact O-N 2.96Å; V362-N364 VanDerWaalsContact C-N 3.31Å; V362-N364 PolarHBondContact O-N 3.35Å; V362-I365 PolarHBondContact O-N 2.95Å; V362-L366 HydrophobicContact CG1-CD1 4.04Å; V362-L366 HydrophobicContact CG1-CG 4.26Å; V362-L366 WeakPolarHBondContact O-CG 3.49Å; V362-L366 PolarHBondContact O-N 3.05Å; V362-L398 HydrophobicContact CG1-CD1 4.09Å; V362-W427 HydrophobicContact CG1-CH2 4.47Å; V362-W427 HydrophobicContact CG2-CH2 4.25Å; V362-V438 HydrophobicContact CG2-CB 3.72Å; V362-V438 HydrophobicContact CG2-CG1 3.65Å; V362-V438 HydrophobicContact CG2-CG2 3.92Å; V362-V448 HydrophobicContact CG1-CG1 4.22Å; V362-V448 HydrophobicContact CG2-CB 4.31Å; V362-V448 HydrophobicContact CG2-CG2 4.33Å; V362-L450 HydrophobicContact CG1-CD1 4.43Å; V362-L450 HydrophobicContact CG1-CD2 3.88Å
363	I	98.7	Very high	98.5	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-56.4	-45.9	178.4	-77.7	176.8	0	0	0	111.3	T359 I365 L366 E367 Y373 L398 I490 A492	T359-I363 HydrophobicContact CG2-CD1 3.88Å; T359-I363 WeakPolarHBondContact O-CB 3.25Å; T359-I363 WeakPolarHBondContact O-CG1 3.39Å; T359-I363 PolarHBondContact O-N 3.12Å; I363-I365 PolarHBondContact O-N 2.8Å; I363-L366 PolarHBondContact O-N 2.86Å; I363-E367 HydrophobicContact CG2-CG 4.33Å; I363-E367 WeakPolarHBondContact O-CG 3.36Å; I363-E367 PolarHBondContact O-N 2.99Å; I363-Y373 HydrophobicContact CD1-CE2 3.67Å; I363-Y373 HydrophobicContact CG1-CD2 4.26Å; I363-Y373 HydrophobicContact CG1-CE2 3.64Å; I363-Y373 HydrophobicContact CG2-CE1 4.08Å; I363-Y373 HydrophobicContact CG2-CE2 4.29Å; I363-Y373 WeakPolarHBondContact CG2-OH 3.29Å; I363-L398 HydrophobicContact CG1-CD1 3.93Å; I363-I490 HydrophobicContact CB-CD1 4.42Å; I363-I490 HydrophobicContact CD1-CD1 3.92Å; I363-I490 HydrophobicContact CG2-CD1 4.32Å; I363-A492 HydrophobicContact CD1-CB 3.88Å
364	N	98.5	Very high	98.6	Very high	77 Å²	77	36.7 Å²	36.7	41%	0.412	19%	0.193	S	C	.	.	H	α-helix	trans	-59.1	-37.1	178.3	-72	-18.4	0	0	0	112.4	K360 Y361 V362 S368	K360-N364 WeakPolarHBondContact O-CB 3.42Å; K360-N364 PolarHBondContact O-N 3.14Å; K360-N364 PolarHBondContact O-ND2 3.01Å; Y361-N364 PolarHBondContact O-N 3.15Å; V362-N364 VanDerWaalsContact C-N 3.31Å; V362-N364 PolarHBondContact O-N 3.35Å; N364-S368 VanDerWaalsContact O-CB 3.26Å; N364-S368 WeakPolarHBondContact O-CB 3.45Å; N364-S368 PolarHBondContact O-N 3.26Å; N364-S368 PolarHBondContact O-OG 3.21Å
365	I	98.2	Very high	98.6	Very high	22 Å²	22	36.7 Å²	36.7	11%	0.113	19%	0.193	C	C	.	.	H	α-helix	trans	-71.1	-44	177.8	-73.7	169.9	0	0	0	111.2	Y361 V362 I363 S368 S369 W427	Y361-I365 HydrophobicContact CD1-CD1 3.9Å; Y361-I365 HydrophobicContact CE1-CD1 3.32Å; Y361-I365 HydrophobicContact CE2-CD1 4.03Å; Y361-I365 HydrophobicContact CG-CD1 4.49Å; Y361-I365 PolarHBondContact O-N 2.95Å; V362-I365 PolarHBondContact O-N 2.95Å; I363-I365 PolarHBondContact O-N 2.8Å; I365-S368 PolarHBondContact O-N 3.24Å; I365-S369 VanDerWaalsContact O-CB 3.25Å; I365-S369 WeakPolarHBondContact O-CB 3.43Å; I365-S369 PolarHBondContact O-N 3.04Å; I365-S369 PolarHBondContact O-OG 2.77Å; I365-W427 HydrophobicContact CB-CH2 4.22Å; I365-W427 HydrophobicContact CD1-CH2 4.02Å; I365-W427 HydrophobicContact CD1-CZ2 3.52Å; I365-W427 HydrophobicContact CG2-CH2 3.89Å; I365-W427 HydrophobicContact CG2-CZ2 4.35Å
366	L	98.5	Very high	98.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60	-47.9	177.2	-63.3	-179.8	0	0	0	110.6	V362 I363 S369 G370 V371 Y373 L398 I400 L411 L450	V362-L366 HydrophobicContact CG1-CD1 4.04Å; V362-L366 HydrophobicContact CG1-CG 4.26Å; V362-L366 WeakPolarHBondContact O-CG 3.49Å; V362-L366 PolarHBondContact O-N 3.05Å; I363-L366 PolarHBondContact O-N 2.86Å; L366-S369 CarbonylContact O-C 3.55Å; L366-S369 PolarHBondContact O-N 2.77Å; L366-G370 PolarHBondContact O-N 2.75Å; L366-G370 VanDerWaalsContact O-N 3.15Å; L366-V371 HydrophobicContact CB-CB 4.19Å; L366-V371 HydrophobicContact CD2-CB 4.08Å; L366-V371 HydrophobicContact CD2-CG1 4.01Å; L366-V371 HydrophobicContact CD2-CG2 4.45Å; L366-V371 PolarHBondContact O-N 3.03Å; L366-Y373 HydrophobicContact CB-CD1 4.22Å; L366-Y373 HydrophobicContact CD1-CD1 4.44Å; L366-Y373 HydrophobicContact CD1-CG 4.1Å; L366-L398 HydrophobicContact CD1-CD1 4.05Å; L366-I400 HydrophobicContact CD1-CG2 4.19Å; L366-L411 HydrophobicContact CD2-CD1 4.12Å; L366-L450 HydrophobicContact CD1-CD2 4.08Å; L366-L450 HydrophobicContact CD2-CD1 4.28Å
367	E	98.3	Very high	98.4	Very high	85 Å²	85	34 Å²	34	40%	0.397	19%	0.185	S	C	.	.	H	α-helix	trans	-62.1	-45.7	177.9	-70.1	-176.6	-179.3	0	0	112.2	I363 S369 G370 Y373	I363-E367 HydrophobicContact CG2-CG 4.33Å; I363-E367 WeakPolarHBondContact O-CG 3.36Å; I363-E367 PolarHBondContact O-N 2.99Å; E367-S369 PolarHBondContact O-N 2.84Å; E367-G370 PolarHBondContact O-N 2.83Å; E367-G370 VanDerWaalsContact O-N 3.15Å; E367-Y373 HydrophobicContact CG-CD1 4.41Å; E367-Y373 HydrophobicContact CG-CE1 3.6Å; E367-Y373 WeakPolarHBondContact OE1-CE1 3.42Å; E367-Y373 PolarHBondContact OE1-OH 3.48Å
368	S	98.1	Very high	98.3	Very high	110 Å²	110	31.1 Å²	31.1	77%	0.769	18%	0.175	S	C	*	.	H	α-helix	trans	-67.1	-24.6	179.2	-57.3	0	0	0	0	113	N364 I365	N364-S368 VanDerWaalsContact O-CB 3.26Å; N364-S368 WeakPolarHBondContact O-CB 3.45Å; N364-S368 PolarHBondContact O-N 3.26Å; N364-S368 PolarHBondContact O-OG 3.21Å; I365-S368 PolarHBondContact O-N 3.24Å
369	S	97.9	Very high	98.2	Very high	32 Å²	32	31.2 Å²	31.2	22%	0.224	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-1.3	177.8	-51.9	0	0	0	0	112.7	I365 L366 E367 V371 N407 C408	I365-S369 VanDerWaalsContact O-CB 3.25Å; I365-S369 WeakPolarHBondContact O-CB 3.43Å; I365-S369 PolarHBondContact O-N 3.04Å; I365-S369 PolarHBondContact O-OG 2.77Å; L366-S369 CarbonylContact O-C 3.55Å; L366-S369 PolarHBondContact O-N 2.77Å; E367-S369 PolarHBondContact O-N 2.84Å; S369-V371 VanDerWaalsContact C-N 3.33Å; S369-V371 PolarHBondContact O-N 3.23Å; S369-N407 WeakPolarHBondContact O-CB 3.35Å; S369-C408 PolarHBondContact OG-SG 3.2Å
370	G	97.9	Very high	98.2	Very high	48 Å²	48	31.2 Å²	31.2	50%	0.495	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	34.3	-175.7	0	0	0	0	0	113.4	L366 E367 N407	L366-G370 PolarHBondContact O-N 2.75Å; L366-G370 VanDerWaalsContact O-N 3.15Å; E367-G370 PolarHBondContact O-N 2.83Å; E367-G370 VanDerWaalsContact O-N 3.15Å; G370-N407 PolarHBondContact O-ND2 2.76Å
371	V	98.6	Very high	98.2	Very high	5 Å²	5	26.6 Å²	26.6	3%	0.03	16%	0.155	C	C	.	.			trans	-96	117.1	173.6	-179.2	0	0	0	0	109.4	L366 S369 Y373 I400 D404 N407 C408	L366-V371 HydrophobicContact CB-CB 4.19Å; L366-V371 HydrophobicContact CD2-CB 4.08Å; L366-V371 HydrophobicContact CD2-CG1 4.01Å; L366-V371 HydrophobicContact CD2-CG2 4.45Å; L366-V371 PolarHBondContact O-N 3.03Å; S369-V371 VanDerWaalsContact C-N 3.33Å; S369-V371 PolarHBondContact O-N 3.23Å; V371-Y373 PolarHBondContact O-N 2.78Å; V371-I400 HydrophobicContact CG1-CB 4.21Å; V371-I400 HydrophobicContact CG1-CG2 4.27Å; V371-D404 HydrophobicContact CB-CB 4.28Å; V371-D404 HydrophobicContact CG1-CB 3.99Å; V371-D404 HydrophobicContact CG2-CB 4.3Å; V371-N407 HydrophobicContact CG2-CB 4.37Å; V371-C408 HydrophobicContact CG2-CB 3.88Å
372	R	98.6	Very high	98.2	Very high	97 Å²	97	24.8 Å²	24.8	37%	0.366	15%	0.148	S	C	.	.			trans	-69.6	126.8	173.7	-69.9	167.8	-72	171.7	-5.2	109.5	I400 Y401 E403 D404	R372-I400 WeakPolarHBondContact O-CA 3.25Å; R372-Y401 HydrophobicContact CB-CD2 3.57Å; R372-Y401 HydrophobicContact CB-CE2 4.19Å; R372-Y401 HydrophobicContact CB-CG 4.4Å; R372-Y401 PolarHBondContact O-N 3.35Å; R372-E403 IonicContact CZ-OE1 3.62Å; R372-E403 IonicContact NH1-OE1 3.7Å; R372-E403 IonicContact NH2-OE1 2.78Å; R372-E403 PolarHBondContact NH2-OE1 3.06Å; R372-D404 VanDerWaalsContact CB-OD2 3.32Å; R372-D404 WeakPolarHBondContact CB-OD2 3.33Å; R372-D404 WeakPolarHBondContact CG-OD2 3.3Å; R372-D404 IonicContact CZ-OD1 3.82Å; R372-D404 IonicContact CZ-OD2 3.41Å; R372-D404 PolarHBondContact N-OD2 3.14Å; R372-D404 IonicContact NE-OD1 3.35Å; R372-D404 IonicContact NE-OD2 2.85Å; R372-D404 PolarHBondContact NE-OD2 3.15Å; R372-D404 IonicContact NH2-OD1 3.27Å; R372-D404 PolarHBondContact NH2-OD1 3.31Å; R372-D404 IonicContact NH2-OD2 3Å; R372-D404 PolarHBondContact NH2-OD2 2.91Å
373	Y	98.8	Very high	98.2	Very high	5 Å²	5	24.9 Å²	24.9	2%	0.02	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	163	178.4	79.1	-81.8	0	0	0	111.4	I363 L366 E367 V371 L398 G399 L482 A492 Y493	I363-Y373 HydrophobicContact CD1-CE2 3.67Å; I363-Y373 HydrophobicContact CG1-CD2 4.26Å; I363-Y373 HydrophobicContact CG1-CE2 3.64Å; I363-Y373 HydrophobicContact CG2-CE1 4.08Å; I363-Y373 HydrophobicContact CG2-CE2 4.29Å; I363-Y373 WeakPolarHBondContact CG2-OH 3.29Å; L366-Y373 HydrophobicContact CB-CD1 4.22Å; L366-Y373 HydrophobicContact CD1-CD1 4.44Å; L366-Y373 HydrophobicContact CD1-CG 4.1Å; E367-Y373 HydrophobicContact CG-CD1 4.41Å; E367-Y373 HydrophobicContact CG-CE1 3.6Å; E367-Y373 WeakPolarHBondContact OE1-CE1 3.42Å; E367-Y373 PolarHBondContact OE1-OH 3.48Å; V371-Y373 PolarHBondContact O-N 2.78Å; Y373-L398 HydrophobicContact CD2-CD1 4.29Å; Y373-L398 HydrophobicContact CD2-CD2 4.23Å; Y373-G399 CarbonylContact C-O 3.51Å; Y373-G399 WeakPolarHBondContact CA-O 3.23Å; Y373-L482 VanDerWaalsContact O-CD1 3.3Å; Y373-L482 WeakPolarHBondContact O-CD1 3.46Å; Y373-A492 HydrophobicContact CE2-CB 4.44Å; Y373-A492 WeakPolarHBondContact OH-CA 3.34Å; Y373-Y493 AromaticContact CE1-CD2 3.93Å; Y373-Y493 HydrophobicContact CE1-CD2 3.93Å; Y373-Y493 AromaticContact CZ-CD2 3.85Å; Y373-Y493 PolarHBondContact OH-N 2.95Å
374	W	98.8	Very high	98.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	152.6	168.3	59.8	95.5	0	0	0	110.7	E376 L398 G399 Y401 F453 M460 F474 L479 L482 Y493 P495	W374-E376 PolarHBondContact NE1-OE2 3.3Å; W374-E376 PolarHBondContact O-N 2.85Å; W374-L398 CarbonylContact O-C 3.54Å; W374-L398 VanDerWaalsContact O-CA 3.26Å; W374-L398 WeakPolarHBondContact O-CA 3.3Å; W374-G399 VanDerWaalsContact CE2-CA 3.48Å; W374-G399 PolarHBondContact N-O 2.83Å; W374-G399 PolarHBondContact O-N 3.39Å; W374-Y401 HydrophobicContact CE3-CE2 4.45Å; W374-Y401 AromaticContact CZ3-CD2 3.68Å; W374-Y401 HydrophobicContact CZ3-CD2 3.68Å; W374-Y401 AromaticContact CZ3-CE2 3.82Å; W374-Y401 HydrophobicContact CZ3-CE2 3.82Å; W374-F453 HydrophobicContact CH2-CB 4.15Å; W374-F453 AromaticContact CH2-CD2 3.9Å; W374-F453 HydrophobicContact CH2-CD2 3.9Å; W374-F453 HydrophobicContact CH2-CG 4.36Å; W374-F453 HydrophobicContact CZ2-CB 4.41Å; W374-F453 AromaticContact CZ2-CD2 3.51Å; W374-F453 HydrophobicContact CZ2-CD2 3.51Å; W374-F453 HydrophobicContact CZ2-CE2 4.03Å; W374-F453 HydrophobicContact CZ2-CG 4.15Å; W374-M460 HydrophobicContact CH2-CE 4.14Å; W374-F474 HydrophobicContact CZ2-CE1 4.42Å; W374-F474 AromaticContact CZ2-CZ 3.69Å; W374-F474 HydrophobicContact CZ2-CZ 3.69Å; W374-L479 HydrophobicContact CD2-CD1 4.28Å; W374-L479 HydrophobicContact CD2-CD2 3.69Å; W374-L479 HydrophobicContact CE3-CD1 3.96Å; W374-L479 HydrophobicContact CE3-CD2 4Å; W374-L479 HydrophobicContact CG-CD2 3.92Å; W374-L479 HydrophobicContact CH2-CD1 3.77Å; W374-L479 HydrophobicContact CZ2-CD1 4.07Å; W374-L479 HydrophobicContact CZ3-CD1 3.71Å; W374-L482 HydrophobicContact CB-CD2 3.74Å; W374-L482 HydrophobicContact CG-CD2 4.5Å; W374-Y493 CarbonylContact C-O 3.49Å; W374-Y493 VanDerWaalsContact CA-O 3.29Å; W374-Y493 WeakPolarHBondContact CA-O 3.47Å; W374-P495 HydrophobicContact CB-CG 4.49Å; W374-P495 HydrophobicContact CG-CG 4.37Å
375	L	98.8	Very high	98.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	132.2	166.7	-63.2	178.7	0	0	0	109.2	L380 A383 L398 M485 F487 A492 Y493	L375-L380 HydrophobicContact CB-CB 4.01Å; L375-L380 HydrophobicContact CB-CD1 4.11Å; L375-L380 WeakPolarHBondContact O-CB 3.5Å; L375-A383 HydrophobicContact CD1-CB 3.51Å; L375-L398 HydrophobicContact CD2-CD2 3.61Å; L375-M485 HydrophobicContact CD1-CG 4.01Å; L375-M485 HydrophobicContact CD1-SD 3.87Å; L375-F487 HydrophobicContact CD1-CB 3.71Å; L375-F487 HydrophobicContact CD1-CD1 4.08Å; L375-F487 HydrophobicContact CD1-CD2 4.3Å; L375-F487 HydrophobicContact CD1-CG 3.79Å; L375-F487 HydrophobicContact CD2-CD1 3.52Å; L375-F487 HydrophobicContact CD2-CE1 3.77Å; L375-F487 HydrophobicContact CD2-CG 4.11Å; L375-F487 HydrophobicContact CG-CD1 4.48Å; L375-A492 HydrophobicContact CD1-CB 4.12Å; L375-A492 HydrophobicContact CD2-CB 4.09Å; L375-A492 HydrophobicContact CG-CB 4.11Å; L375-Y493 PolarHBondContact N-O 3.01Å
376	E	98.2	Very high	98	Very high	9 Å²	9	28.5 Å²	28.5	4%	0.042	16%	0.163	C	C	.	.			trans	-123.5	164.4	-177.6	-170.9	53.4	-96.9	0	0	110.6	W374 G378 S379 L380 D397 K505	W374-E376 PolarHBondContact NE1-OE2 3.3Å; W374-E376 PolarHBondContact O-N 2.85Å; E376-G378 PolarHBondContact O-N 3.19Å; E376-S379 WeakPolarHBondContact O-CB 3.46Å; E376-S379 PolarHBondContact O-N 3.45Å; E376-S379 VanDerWaalsContact O-N 3.1Å; E376-L380 PolarHBondContact O-N 2.8Å; E376-D397 HydrophobicContact CB-CB 4.17Å; E376-D397 PolarHBondContact N-O 2.94Å; E376-K505 WeakPolarHBondContact OE1-CD 3.39Å; E376-K505 WeakPolarHBondContact OE1-CE 3.35Å; E376-K505 IonicContact OE1-NZ 2.87Å; E376-K505 PolarHBondContact OE1-NZ 3.01Å; E376-K505 IonicContact OE2-NZ 3.75Å
377	G	96	Very high	98	Very high	6 Å²	6	34.1 Å²	34.1	6%	0.062	19%	0.189	C	C	.	.	H	α-helix	trans	52.7	-132.3	167.7	0	0	0	0	0	115.1	S379 L380 L381	G377-S379 PolarHBondContact O-N 3.42Å; G377-L380 PolarHBondContact O-N 2.95Å; G377-L381 PolarHBondContact O-N 2.77Å
378	G	96.1	Very high	98	Very high	11 Å²	11	31.8 Å²	31.8	11%	0.113	18%	0.18	C	C	.	.	H	α-helix	trans	-64	-28.6	-179.7	0	0	0	0	0	113.2	E376 L381 G382	E376-G378 PolarHBondContact O-N 3.19Å; G378-L381 PolarHBondContact O-N 2.85Å; G378-G382 PolarHBondContact O-N 3.37Å
379	S	98.4	Very high	98	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.007	14%	0.144	C	C	.	.	H	α-helix	trans	-69.5	-45.7	179	-64.5	0	0	0	0	112	E376 G377 L381 G382 A383 V396 D397 F487	E376-S379 WeakPolarHBondContact O-CB 3.46Å; E376-S379 PolarHBondContact O-N 3.45Å; E376-S379 VanDerWaalsContact O-N 3.1Å; G377-S379 PolarHBondContact O-N 3.42Å; S379-L381 VanDerWaalsContact C-N 3.33Å; S379-L381 PolarHBondContact O-N 3.14Å; S379-G382 PolarHBondContact O-N 3.27Å; S379-A383 WeakPolarHBondContact O-CB 3.43Å; S379-A383 PolarHBondContact O-N 3.26Å; S379-V396 VanDerWaalsContact OG-CA 3.25Å; S379-V396 WeakPolarHBondContact OG-CA 3.39Å; S379-V396 WeakPolarHBondContact OG-CG1 3.21Å; S379-D397 PolarHBondContact OG-N 2.8Å; S379-F487 WeakPolarHBondContact O-CE2 3.41Å
380	L	98.6	Very high	98	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61	-43.5	172.5	-179.5	60.3	0	0	0	111.5	L375 E376 G377 G382 A383 V384 M485 P495 F501 L502	L375-L380 HydrophobicContact CB-CB 4.01Å; L375-L380 HydrophobicContact CB-CD1 4.11Å; L375-L380 WeakPolarHBondContact O-CB 3.5Å; E376-L380 PolarHBondContact O-N 2.8Å; G377-L380 PolarHBondContact O-N 2.95Å; L380-G382 PolarHBondContact O-N 2.73Å; L380-A383 WeakPolarHBondContact O-CB 3.2Å; L380-A383 PolarHBondContact O-N 3.03Å; L380-V384 HydrophobicContact CD1-CG2 4.38Å; L380-V384 WeakPolarHBondContact O-CG2 3.4Å; L380-V384 PolarHBondContact O-N 3.26Å; L380-M485 HydrophobicContact CD1-CE 4.14Å; L380-M485 HydrophobicContact CD1-SD 3.78Å; L380-P495 HydrophobicContact CD2-CG 4.01Å; L380-F501 HydrophobicContact CD2-CD1 3.41Å; L380-F501 VanDerWaalsContact CD2-CD1 3.41Å; L380-F501 HydrophobicContact CD2-CE1 3.68Å; L380-F501 HydrophobicContact CD2-CG 4.42Å; L380-L502 HydrophobicContact CB-CD2 4.21Å; L380-L502 HydrophobicContact CD2-CD2 3.88Å; L380-L502 HydrophobicContact CD2-CG 4.04Å; L380-L502 HydrophobicContact CG-CD1 4.33Å; L380-L502 HydrophobicContact CG-CD2 3.9Å; L380-L502 HydrophobicContact CG-CG 4.14Å
381	L	98.3	Very high	98	Very high	10 Å²	10	25 Å²	25	5%	0.052	12%	0.123	C	C	.	.	H	α-helix	trans	-61.4	-43.8	178.6	-179.9	59.9	0	0	0	111.8	G377 G378 S379 V384 R385 I390 L502 V510 I511	G377-L381 PolarHBondContact O-N 2.77Å; G378-L381 PolarHBondContact O-N 2.85Å; S379-L381 VanDerWaalsContact C-N 3.33Å; S379-L381 PolarHBondContact O-N 3.14Å; L381-V384 PolarHBondContact O-N 3.17Å; L381-R385 VanDerWaalsContact O-CB 3.3Å; L381-R385 WeakPolarHBondContact O-CB 3.49Å; L381-R385 PolarHBondContact O-N 2.8Å; L381-I390 HydrophobicContact CB-CD1 4.28Å; L381-I390 HydrophobicContact CD2-CD1 3.94Å; L381-I390 HydrophobicContact CG-CD1 4.07Å; L381-L502 HydrophobicContact CB-CD2 3.95Å; L381-L502 HydrophobicContact CD1-CD1 4.09Å; L381-L502 HydrophobicContact CD1-CD2 4.41Å; L381-V510 HydrophobicContact CD1-CG1 4.13Å; L381-V510 HydrophobicContact CD1-CG2 3.99Å; L381-V510 HydrophobicContact CD2-CG2 3.74Å; L381-I511 HydrophobicContact CD1-CG1 4.08Å
382	G	97.9	Very high	97.8	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.3	-42.5	174.8	0	0	0	0	0	112.7	G378 S379 L380 V384 R385 H386 Q387 D388	G378-G382 PolarHBondContact O-N 3.37Å; S379-G382 PolarHBondContact O-N 3.27Å; L380-G382 PolarHBondContact O-N 2.73Å; G382-V384 PolarHBondContact O-N 2.85Å; G382-R385 PolarHBondContact O-N 3.45Å; G382-H386 PolarHBondContact O-N 2.87Å; G382-Q387 PolarHBondContact O-N 2.83Å; G382-Q387 VanDerWaalsContact O-N 3.07Å; G382-D388 CarbonylContact C-O 3.47Å; G382-D388 WeakPolarHBondContact CA-O 3.37Å
383	A	98.3	Very high	97.7	Very high	3 Å²	3	22.4 Å²	22.4	3%	0.025	11%	0.114	C	C	.	.	H	α-helix	trans	-60.4	-45.6	176.9	0	0	0	0	0	112.4	L375 S379 L380 Q387 M485 F487	L375-A383 HydrophobicContact CD1-CB 3.51Å; S379-A383 WeakPolarHBondContact O-CB 3.43Å; S379-A383 PolarHBondContact O-N 3.26Å; L380-A383 WeakPolarHBondContact O-CB 3.2Å; L380-A383 PolarHBondContact O-N 3.03Å; A383-Q387 VanDerWaalsContact O-CA 3.29Å; A383-Q387 WeakPolarHBondContact O-CA 3.36Å; A383-Q387 PolarHBondContact O-N 2.85Å; A383-M485 HydrophobicContact CB-CE 3.55Å; A383-M485 HydrophobicContact CB-SD 4.25Å; A383-F487 HydrophobicContact CB-CB 4.01Å; A383-F487 HydrophobicContact CB-CD2 3.57Å; A383-F487 HydrophobicContact CB-CE2 4.35Å; A383-F487 HydrophobicContact CB-CG 4.09Å
384	V	98.1	Very high	97.6	Very high	43 Å²	43	23.5 Å²	23.5	26%	0.261	12%	0.119	S	C	.	.	H	α-helix	trans	-67.8	-39.5	177.6	175.7	0	0	0	0	112	L380 L381 G382 M485 Q498 L502 I511	L380-V384 HydrophobicContact CD1-CG2 4.38Å; L380-V384 WeakPolarHBondContact O-CG2 3.4Å; L380-V384 PolarHBondContact O-N 3.26Å; L381-V384 PolarHBondContact O-N 3.17Å; G382-V384 PolarHBondContact O-N 2.85Å; V384-M485 HydrophobicContact CG2-CE 3.74Å; V384-Q498 HydrophobicContact CG2-CB 3.84Å; V384-Q498 HydrophobicContact CG2-CG 4.4Å; V384-L502 HydrophobicContact CB-CD1 4.02Å; V384-L502 HydrophobicContact CG1-CD1 4.37Å; V384-L502 HydrophobicContact CG2-CD1 3.75Å; V384-I511 HydrophobicContact CG1-CD1 3.72Å; V384-I511 HydrophobicContact CG1-CG1 4.07Å; V384-I511 HydrophobicContact CG1-CG2 4.05Å
385	R	97.1	Very high	97.6	Very high	62 Å²	62	24.3 Å²	24.3	23%	0.234	12%	0.123	C	C	.	.	H	α-helix	trans	-75.9	-46.1	-173.8	-171.9	-177.3	-71	142.8	-2.1	112.8	L381 G382 V510 I511	L381-R385 VanDerWaalsContact O-CB 3.3Å; L381-R385 WeakPolarHBondContact O-CB 3.49Å; L381-R385 PolarHBondContact O-N 2.8Å; G382-R385 PolarHBondContact O-N 3.45Å; R385-V510 PolarHBondContact NH2-O 2.61Å; R385-I511 PolarHBondContact NE-O 3.34Å
386	H	97.3	Very high	97.6	Very high	71 Å²	71	24.3 Å²	24.3	33%	0.329	12%	0.123	S	C	.	.	H	α-helix	trans	-153.3	19.3	-171.3	60.1	-88.6	0	0	0	113.6	G382 D388 I389	G382-H386 PolarHBondContact O-N 2.87Å; H386-D388 PolarHBondContact NE2-O 2.84Å; H386-D388 PolarHBondContact O-N 2.68Å; H386-I389 PolarHBondContact NE2-O 3.42Å
387	Q	98.2	Very high	97.6	Very high	118 Å²	118	25.1 Å²	25.1	55%	0.551	13%	0.127	S	C	*	.	S	Bend	trans	62.7	23.7	171.1	-49.3	-179.3	-20.3	0	0	114.6	G382 A383 P486 F487 A488	G382-Q387 PolarHBondContact O-N 2.83Å; G382-Q387 VanDerWaalsContact O-N 3.07Å; A383-Q387 VanDerWaalsContact O-CA 3.29Å; A383-Q387 WeakPolarHBondContact O-CA 3.36Å; A383-Q387 PolarHBondContact O-N 2.85Å; Q387-P486 HydrophobicContact CB-CB 4.2Å; Q387-P486 HydrophobicContact CB-CG 4.13Å; Q387-P486 VanDerWaalsContact CD-CG 3.44Å; Q387-P486 HydrophobicContact CG-CB 4.34Å; Q387-P486 HydrophobicContact CG-CG 3.74Å; Q387-F487 WeakPolarHBondContact O-CA 3.49Å; Q387-A488 PolarHBondContact O-N 3.43Å; Q387-A488 VanDerWaalsContact O-N 3.12Å
388	D	98.6	Very high	97.7	Very high	37 Å²	37	24.8 Å²	24.8	20%	0.198	12%	0.124	C	C	.	.	S	Bend	trans	-154.5	172.8	-177.2	-154.1	-9.2	0	0	0	110.8	R356 G382 H386 F487	R356-D388 IonicContact CZ-OD1 3.53Å; R356-D388 IonicContact CZ-OD2 3.08Å; R356-D388 VanDerWaalsContact CZ-OD2 3.24Å; R356-D388 VanDerWaalsContact NE-CG 3.29Å; R356-D388 IonicContact NE-OD1 3.63Å; R356-D388 PolarHBondContact NE-OD1 3.02Å; R356-D388 IonicContact NE-OD2 3.81Å; R356-D388 PolarHBondContact NE-OD2 3.2Å; R356-D388 IonicContact NH2-OD1 3.68Å; R356-D388 IonicContact NH2-OD2 3.71Å; R356-D388 PolarHBondContact NH2-OD2 3.49Å; G382-D388 CarbonylContact C-O 3.47Å; G382-D388 WeakPolarHBondContact CA-O 3.37Å; H386-D388 PolarHBondContact NE2-O 2.84Å; H386-D388 PolarHBondContact O-N 2.68Å; D388-F487 VanDerWaalsContact C-CE2 3.5Å
389	I	98.6	Very high	97.8	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.015	12%	0.119	C	C	.	.			trans	-56.7	140.7	173	-55.4	173.1	0	0	0	109.1	L352 L355 R356 H386 D393 V396 F487	L352-I389 HydrophobicContact CD2-CB 4.25Å; L352-I389 HydrophobicContact CD2-CG2 3.88Å; L355-I389 HydrophobicContact CB-CD1 3.49Å; L355-I389 VanDerWaalsContact CB-CD1 3.49Å; L355-I389 HydrophobicContact CD1-CD1 4.35Å; R356-I389 HydrophobicContact CG-CD1 3.83Å; R356-I389 HydrophobicContact CG-CG1 4.49Å; H386-I389 PolarHBondContact NE2-O 3.42Å; I389-D393 HydrophobicContact CG2-CB 3.96Å; I389-V396 HydrophobicContact CD1-CG2 3.77Å; I389-V396 HydrophobicContact CG1-CG2 4.03Å; I389-F487 HydrophobicContact CG1-CE2 4.22Å; I389-F487 HydrophobicContact CG1-CZ 3.82Å
390	I	97.8	Very high	97.8	Very high	8 Å²	8	24.2 Å²	24.2	4%	0.041	12%	0.119	C	C	.	.			trans	-59	130.5	174	-65.7	174.5	0	0	0	108.2	L381 W392 D393	L381-I390 HydrophobicContact CB-CD1 4.28Å; L381-I390 HydrophobicContact CD2-CD1 3.94Å; L381-I390 HydrophobicContact CG-CD1 4.07Å; I390-W392 HydrophobicContact CG2-CD2 3.57Å; I390-W392 HydrophobicContact CG2-CE3 4.09Å; I390-W392 HydrophobicContact CG2-CG 3.96Å; I390-W392 HydrophobicContact CG2-CH2 4.12Å; I390-W392 HydrophobicContact CG2-CZ2 3.58Å; I390-W392 HydrophobicContact CG2-CZ3 4.35Å; I390-W392 PolarHBondContact O-N 2.98Å; I390-D393 HydrophobicContact CB-CB 4.15Å; I390-D393 WeakPolarHBondContact O-CB 2.95Å; I390-D393 PolarHBondContact O-N 3.08Å
391	P	97.1	Very high	97.8	Very high	36 Å²	36	24.6 Å²	24.6	23%	0.234	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-15.5	-168.3	-28.2	35.7	0	0	0	115.8	W346 T347	W346-P391 WeakPolarHBondContact CB-O 3.44Å; W346-P391 HydrophobicContact CD2-CB 3.94Å; W346-P391 HydrophobicContact CE3-CB 3.54Å; W346-P391 HydrophobicContact CE3-CG 4.38Å; W346-P391 HydrophobicContact CG-CB 4.49Å; W346-P391 HydrophobicContact CZ3-CB 3.87Å; W346-P391 HydrophobicContact CZ3-CG 4.23Å; T347-P391 VanDerWaalsContact CB-O 3.28Å; T347-P391 WeakPolarHBondContact CB-O 3.22Å; T347-P391 PolarHBondContact N-O 3.24Å; T347-P391 PolarHBondContact OG1-O 3.06Å
392	W	95.4	Very high	97.7	Very high	25 Å²	25	27.4 Å²	27.4	10%	0.095	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	10	178.3	57.8	78.2	0	0	0	113.9	Y340 L341 W346 T347 I390 P514 Q515 Y516	Y340-W392 PolarHBondContact OH-O 3.13Å; L341-W392 HydrophobicContact CD2-CB 4.08Å; W346-W392 HydrophobicContact CD2-CE3 4.14Å; W346-W392 AromaticContact CE2-CE3 3.44Å; W346-W392 VanDerWaalsContact CE2-CE3 3.44Å; W346-W392 AromaticContact CE2-CZ3 3.85Å; W346-W392 HydrophobicContact CG-CB 4.25Å; W346-W392 HydrophobicContact CG-CE3 4.46Å; W346-W392 HydrophobicContact CH2-CE3 4.47Å; W346-W392 HydrophobicContact CH2-CZ3 4.17Å; W346-W392 AromaticContact CZ2-CE3 3.63Å; W346-W392 HydrophobicContact CZ2-CE3 3.63Å; W346-W392 AromaticContact CZ2-CZ3 3.5Å; W346-W392 HydrophobicContact CZ2-CZ3 3.5Å; W346-W392 VanDerWaalsContact CZ2-CZ3 3.5Å; W346-W392 AromaticContact NE1-CE3 3.4Å; T347-W392 VanDerWaalsContact OG1-CA 3.27Å; T347-W392 WeakPolarHBondContact OG1-CA 3.38Å; I390-W392 HydrophobicContact CG2-CD2 3.57Å; I390-W392 HydrophobicContact CG2-CE3 4.09Å; I390-W392 HydrophobicContact CG2-CG 3.96Å; I390-W392 HydrophobicContact CG2-CH2 4.12Å; I390-W392 HydrophobicContact CG2-CZ2 3.58Å; I390-W392 HydrophobicContact CG2-CZ3 4.35Å; I390-W392 PolarHBondContact O-N 2.98Å; W392-P514 HydrophobicContact CH2-CB 3.72Å; W392-P514 HydrophobicContact CZ2-CB 3.84Å; W392-Q515 PolarHBondContact NE1-O 3.01Å; W392-Y516 HydrophobicContact CB-CD1 4.24Å; W392-Y516 HydrophobicContact CB-CE1 4.14Å; W392-Y516 AromaticContact CD1-CD1 3.74Å; W392-Y516 AromaticContact CD2-CD1 3.85Å; W392-Y516 HydrophobicContact CD2-CD1 3.85Å; W392-Y516 AromaticContact CD2-CE1 3.67Å; W392-Y516 HydrophobicContact CD2-CE1 3.67Å; W392-Y516 AromaticContact CE2-CD1 3.97Å; W392-Y516 AromaticContact CE3-CE1 4Å; W392-Y516 HydrophobicContact CE3-CE1 4Å; W392-Y516 AromaticContact CG-CD1 3.67Å; W392-Y516 HydrophobicContact CG-CD1 3.67Å; W392-Y516 AromaticContact CG-CE1 3.77Å; W392-Y516 HydrophobicContact CG-CE1 3.77Å; W392-Y516 AromaticContact NE1-CD1 3.87Å
393	D	95.9	Very high	97.6	Very high	22 Å²	22	33.4 Å²	33.4	12%	0.118	16%	0.163	C	C	.	.			trans	-82.2	157.5	169.5	-109.4	-12.1	0	0	0	111.4	T347 I389 I390	T347-D393 WeakPolarHBondContact CB-O 3.41Å; T347-D393 VanDerWaalsContact CG2-O 3.3Å; T347-D393 WeakPolarHBondContact CG2-O 3.17Å; T347-D393 PolarHBondContact OG1-N 3.17Å; T347-D393 PolarHBondContact OG1-O 3.49Å; I389-D393 HydrophobicContact CG2-CB 3.96Å; I390-D393 HydrophobicContact CB-CB 4.15Å; I390-D393 WeakPolarHBondContact O-CB 2.95Å; I390-D393 PolarHBondContact O-N 3.08Å
394	Y	96.6	Very high	97.6	Very high	29 Å²	29	33.9 Å²	33.9	11%	0.114	17%	0.165	C	C	.	.			trans	-121.7	-4.2	-174.1	58.7	-97.6	0	0	0	115.2	V333 P338 L355	V333-Y394 HydrophobicContact CG1-CE1 4.21Å; V333-Y394 HydrophobicContact CG2-CD2 4.26Å; V333-Y394 HydrophobicContact CG2-CE2 4.25Å; V333-Y394 HydrophobicContact CG2-CG 4.43Å; P338-Y394 HydrophobicContact CG-CD1 3.31Å; P338-Y394 HydrophobicContact CG-CE1 3.82Å; P338-Y394 HydrophobicContact CG-CG 3.98Å; L355-Y394 WeakPolarHBondContact CD1-O 3.23Å
395	D	97.5	Very high	97.5	Very high	16 Å²	16	32.3 Å²	32.3	9%	0.086	16%	0.155	C	C	.	.			trans	-144.9	-177.3	-178	53	5.8	0	0	0	110.8	H447	D395-H447 IonicContact OD2-NE2 3.61Å
396	V	98.7	Very high	97.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	137.8	174.4	167.8	0	0	0	0	108.7	L355 T359 S379 I389 L398 H447 V448 D449 F487	L355-V396 HydrophobicContact CB-CG2 4.46Å; T359-V396 HydrophobicContact CG2-CG1 4.08Å; T359-V396 WeakPolarHBondContact OG1-CG2 3.21Å; S379-V396 VanDerWaalsContact OG-CA 3.25Å; S379-V396 WeakPolarHBondContact OG-CA 3.39Å; S379-V396 WeakPolarHBondContact OG-CG1 3.21Å; I389-V396 HydrophobicContact CD1-CG2 3.77Å; I389-V396 HydrophobicContact CG1-CG2 4.03Å; V396-L398 HydrophobicContact CG1-CD2 4.46Å; V396-H447 PolarHBondContact N-O 3.39Å; V396-V448 HydrophobicContact CB-CG1 4.42Å; V396-V448 HydrophobicContact CB-CG2 4.12Å; V396-V448 HydrophobicContact CG1-CG1 4.15Å; V396-V448 HydrophobicContact CG1-CG2 4.38Å; V396-V448 CarbonylContact O-C 3.56Å; V396-V448 VanDerWaalsContact O-CA 3.25Å; V396-V448 WeakPolarHBondContact O-CA 3.28Å; V396-D449 PolarHBondContact O-N 2.77Å; V396-F487 HydrophobicContact CG1-CE1 4.13Å; V396-F487 HydrophobicContact CG1-CZ 4.48Å; V396-F487 HydrophobicContact CG2-CZ 4.43Å
397	D	98.4	Very high	97.4	Very high	26 Å²	26	33.8 Å²	33.8	14%	0.139	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.1	-178.7	-64.6	-66.1	0	0	0	110.8	E376 S379 W451	E376-D397 HydrophobicContact CB-CB 4.17Å; E376-D397 PolarHBondContact N-O 2.94Å; S379-D397 PolarHBondContact OG-N 2.8Å; D397-W451 PolarHBondContact OD1-NE1 3.4Å
398	L	98.8	Very high	97.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	134.8	169.6	-53.9	178.9	0	0	0	109.5	V362 I363 L366 Y373 W374 L375 V396 V448 D449 L450 W451	V362-L398 HydrophobicContact CG1-CD1 4.09Å; I363-L398 HydrophobicContact CG1-CD1 3.93Å; L366-L398 HydrophobicContact CD1-CD1 4.05Å; Y373-L398 HydrophobicContact CD2-CD1 4.29Å; Y373-L398 HydrophobicContact CD2-CD2 4.23Å; W374-L398 CarbonylContact O-C 3.54Å; W374-L398 VanDerWaalsContact O-CA 3.26Å; W374-L398 WeakPolarHBondContact O-CA 3.3Å; L375-L398 HydrophobicContact CD2-CD2 3.61Å; V396-L398 HydrophobicContact CG1-CD2 4.46Å; L398-V448 HydrophobicContact CD1-CG1 3.91Å; L398-V448 HydrophobicContact CG-CG1 3.98Å; L398-D449 PolarHBondContact N-O 3.36Å; L398-L450 HydrophobicContact CB-CD2 3.76Å; L398-L450 HydrophobicContact CD1-CD2 3.74Å; L398-L450 HydrophobicContact CG-CD2 4.13Å; L398-L450 CarbonylContact O-C 3.45Å; L398-L450 WeakPolarHBondContact O-CA 3.44Å; L398-W451 PolarHBondContact O-N 2.88Å
399	G	98.4	Very high	97.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	144.8	163.7	0	0	0	0	0	110.2	Y373 W374 W451	Y373-G399 CarbonylContact C-O 3.51Å; Y373-G399 WeakPolarHBondContact CA-O 3.23Å; W374-G399 VanDerWaalsContact CE2-CA 3.48Å; W374-G399 PolarHBondContact N-O 2.83Å; W374-G399 PolarHBondContact O-N 3.39Å; G399-W451 CarbonylContact C-O 3.45Å; G399-W451 WeakPolarHBondContact CA-O 3.14Å
400	I	98.5	Very high	96.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	154.5	175.8	65.3	174.4	0	0	0	111.1	L366 V371 R372 L402 V405 L411 Y436 L450 W451 P452 F453	L366-I400 HydrophobicContact CD1-CG2 4.19Å; V371-I400 HydrophobicContact CG1-CB 4.21Å; V371-I400 HydrophobicContact CG1-CG2 4.27Å; R372-I400 WeakPolarHBondContact O-CA 3.25Å; I400-L402 PolarHBondContact O-N 3.41Å; I400-V405 HydrophobicContact CD1-CG2 3.86Å; I400-L411 HydrophobicContact CD1-CD1 4.24Å; I400-Y436 HydrophobicContact CD1-CD2 4.38Å; I400-L450 HydrophobicContact CD1-CB 4.17Å; I400-L450 HydrophobicContact CG2-CB 4.47Å; I400-W451 PolarHBondContact N-O 3.11Å; I400-P452 HydrophobicContact CD1-CB 4.38Å; I400-P452 HydrophobicContact CG1-CB 4.07Å; I400-P452 WeakPolarHBondContact O-CA 3.34Å; I400-F453 PolarHBondContact O-N 3.03Å
401	Y	98	Very high	96.6	Very high	8 Å²	8	33 Å²	33	3%	0.031	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	123.7	167.7	-83.6	-95.4	0	0	0	110	R372 W374 E403 D404 M460 L479	R372-Y401 HydrophobicContact CB-CD2 3.57Å; R372-Y401 HydrophobicContact CB-CE2 4.19Å; R372-Y401 HydrophobicContact CB-CG 4.4Å; R372-Y401 PolarHBondContact O-N 3.35Å; W374-Y401 HydrophobicContact CE3-CE2 4.45Å; W374-Y401 AromaticContact CZ3-CD2 3.68Å; W374-Y401 HydrophobicContact CZ3-CD2 3.68Å; W374-Y401 AromaticContact CZ3-CE2 3.82Å; W374-Y401 HydrophobicContact CZ3-CE2 3.82Å; Y401-E403 VanDerWaalsContact C-N 3.25Å; Y401-E403 HydrophobicContact CD1-CG 4.41Å; Y401-E403 PolarHBondContact O-N 3.03Å; Y401-D404 PolarHBondContact O-N 3.15Å; Y401-D404 VanDerWaalsContact O-N 3.09Å; Y401-M460 HydrophobicContact CD1-CE 4.04Å; Y401-M460 HydrophobicContact CE1-CE 3.7Å; Y401-M460 HydrophobicContact CE1-SD 4.2Å; Y401-L479 HydrophobicContact CE2-CB 4.47Å; Y401-L479 HydrophobicContact CE2-CD1 3.82Å; Y401-L479 WeakPolarHBondContact OH-CB 3.48Å; Y401-L479 WeakPolarHBondContact OH-CD1 3.32Å
402	L	96.3	Very high	96	Very high	69 Å²	69	35.5 Å²	35.5	36%	0.361	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-58.9	-38	179	176.2	59.8	0	0	0	111.9	I400 D404 V405 P452 F453 Y454	I400-L402 PolarHBondContact O-N 3.41Å; L402-D404 PolarHBondContact O-N 3.34Å; L402-V405 HydrophobicContact CD1-CG2 4.23Å; L402-V405 WeakPolarHBondContact O-CB 3.36Å; L402-V405 WeakPolarHBondContact O-CG2 3.48Å; L402-V405 PolarHBondContact O-N 3.09Å; L402-P452 HydrophobicContact CB-CB 4.09Å; L402-P452 HydrophobicContact CD1-CB 3.89Å; L402-F453 WeakPolarHBondContact CB-O 3.47Å; L402-F453 PolarHBondContact N-O 3.43Å; L402-Y454 HydrophobicContact CD2-CD1 3.91Å
403	E	96.9	Very high	95.3	Very high	125 Å²	125	39.9 Å²	39.9	58%	0.584	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-64	-19.3	178.5	61	-171.4	-141.7	0	0	113.9	R372 Y401 P406	R372-E403 IonicContact CZ-OE1 3.62Å; R372-E403 IonicContact NH1-OE1 3.7Å; R372-E403 IonicContact NH2-OE1 2.78Å; R372-E403 PolarHBondContact NH2-OE1 3.06Å; Y401-E403 VanDerWaalsContact C-N 3.25Å; Y401-E403 HydrophobicContact CD1-CG 4.41Å; Y401-E403 PolarHBondContact O-N 3.03Å; E403-P406 WeakPolarHBondContact O-CD 3.28Å
404	D	98	Very high	94.7	Very high	14 Å²	14	39.2 Å²	39.2	8%	0.075	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-90.8	-13.3	178.8	-67	-9.9	0	0	0	113	V371 R372 Y401 L402 P406 N407	V371-D404 HydrophobicContact CB-CB 4.28Å; V371-D404 HydrophobicContact CG1-CB 3.99Å; V371-D404 HydrophobicContact CG2-CB 4.3Å; R372-D404 VanDerWaalsContact CB-OD2 3.32Å; R372-D404 WeakPolarHBondContact CB-OD2 3.33Å; R372-D404 WeakPolarHBondContact CG-OD2 3.3Å; R372-D404 IonicContact CZ-OD1 3.82Å; R372-D404 IonicContact CZ-OD2 3.41Å; R372-D404 PolarHBondContact N-OD2 3.14Å; R372-D404 IonicContact NE-OD1 3.35Å; R372-D404 IonicContact NE-OD2 2.85Å; R372-D404 PolarHBondContact NE-OD2 3.15Å; R372-D404 IonicContact NH2-OD1 3.27Å; R372-D404 PolarHBondContact NH2-OD1 3.31Å; R372-D404 IonicContact NH2-OD2 3Å; R372-D404 PolarHBondContact NH2-OD2 2.91Å; Y401-D404 PolarHBondContact O-N 3.15Å; Y401-D404 VanDerWaalsContact O-N 3.09Å; L402-D404 PolarHBondContact O-N 3.34Å; D404-P406 VanDerWaalsContact C-N 3.29Å; D404-N407 VanDerWaalsContact O-CB 3.23Å; D404-N407 WeakPolarHBondContact O-CB 3.16Å; D404-N407 PolarHBondContact O-N 3.42Å
405	V	95.6	Very high	93.3	Very high	10 Å²	10	43.9 Å²	43.9	6%	0.061	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-49.2	-43.1	179.9	167	0	0	0	0	113.1	I400 L402 N407 C408 L411 Y436	I400-V405 HydrophobicContact CD1-CG2 3.86Å; L402-V405 HydrophobicContact CD1-CG2 4.23Å; L402-V405 WeakPolarHBondContact O-CB 3.36Å; L402-V405 WeakPolarHBondContact O-CG2 3.48Å; L402-V405 PolarHBondContact O-N 3.09Å; V405-N407 PolarHBondContact O-N 2.98Å; V405-N407 VanDerWaalsContact O-N 3.11Å; V405-C408 PolarHBondContact O-N 2.78Å; V405-L411 HydrophobicContact CG1-CB 4Å; V405-Y436 HydrophobicContact CG1-CE2 4.32Å; V405-Y436 WeakPolarHBondContact CG1-OH 3.45Å; V405-Y436 HydrophobicContact CG2-CE2 4.11Å
406	P	95.9	Very high	91.9	Very high	80 Å²	80	48.6 Å²	48.6	52%	0.519	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-60.6	-19.6	178	-25.5	37	0	0	0	115	E403 D404 C408 K412	E403-P406 WeakPolarHBondContact O-CD 3.28Å; D404-P406 VanDerWaalsContact C-N 3.29Å; P406-C408 VanDerWaalsContact C-N 3.28Å; P406-C408 PolarHBondContact O-N 3.3Å; P406-K412 VanDerWaalsContact O-CD 3.32Å; P406-K412 WeakPolarHBondContact O-CD 3.46Å
407	N	97	Very high	90.7	Very high	84 Å²	84	50.6 Å²	50.6	45%	0.449	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-73.7	-21.2	-179.5	-56.4	-23.2	0	0	0	112.3	S369 G370 V371 D404 V405	S369-N407 WeakPolarHBondContact O-CB 3.35Å; G370-N407 PolarHBondContact O-ND2 2.76Å; V371-N407 HydrophobicContact CG2-CB 4.37Å; D404-N407 VanDerWaalsContact O-CB 3.23Å; D404-N407 WeakPolarHBondContact O-CB 3.16Å; D404-N407 PolarHBondContact O-N 3.42Å; V405-N407 PolarHBondContact O-N 2.98Å; V405-N407 VanDerWaalsContact O-N 3.11Å
408	C	96.1	Very high	90.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.304	C	S	.	.			trans	-102.6	116.5	-179	-169.6	0	0	0	0	111.7	S369 V371 V405 P406 H410 L411 K412	S369-C408 PolarHBondContact OG-SG 3.2Å; V371-C408 HydrophobicContact CG2-CB 3.88Å; V405-C408 PolarHBondContact O-N 2.78Å; P406-C408 VanDerWaalsContact C-N 3.28Å; P406-C408 PolarHBondContact O-N 3.3Å; C408-H410 PolarHBondContact O-N 3Å; C408-H410 VanDerWaalsContact O-N 3.16Å; C408-L411 HydrophobicContact CB-CB 4.17Å; C408-L411 HydrophobicContact CB-CD1 3.99Å; C408-L411 HydrophobicContact CB-CG 3.98Å; C408-L411 PolarHBondContact O-N 2.94Å; C408-K412 WeakPolarHBondContact O-CB 3.48Å; C408-K412 PolarHBondContact O-N 3.49Å
409	D	92.8	Very high	90	Very high	101 Å²	101	56.6 Å²	56.6	54%	0.54	32%	0.321	S	S	.	.	H	α-helix	trans	-57.6	-30.3	178.1	-72.8	-15.9	0	0	0	113.5	L411 K412	D409-L411 VanDerWaalsContact C-N 3.33Å; D409-K412 WeakPolarHBondContact OD1-CE 3.26Å; D409-K412 IonicContact OD1-NZ 3.51Å; D409-K412 PolarHBondContact OD1-NZ 2.75Å
410	H	92.4	Very high	89.9	Confident	47 Å²	47	59.4 Å²	59.4	22%	0.218	34%	0.338	C	S	.	.	H	α-helix	trans	-72.8	-25.3	178.3	-61.2	82.9	0	0	0	112.6	C408 L414 L419 W427	C408-H410 PolarHBondContact O-N 3Å; C408-H410 VanDerWaalsContact O-N 3.16Å; H410-L414 WeakPolarHBondContact O-CD1 3.29Å; H410-L414 WeakPolarHBondContact O-CG 3.29Å; H410-L419 HydrophobicContact CB-CD2 4.47Å; H410-W427 HydrophobicContact CB-CD2 3.78Å; H410-W427 HydrophobicContact CB-CE3 3.77Å; H410-W427 HydrophobicContact CB-CG 4.29Å; H410-W427 HydrophobicContact CB-CH2 4.38Å; H410-W427 HydrophobicContact CB-CZ2 4.38Å; H410-W427 HydrophobicContact CB-CZ3 4.08Å; H410-W427 AromaticContact CD2-CE2 3.82Å; H410-W427 AromaticContact CD2-NE1 3.69Å
411	L	93.3	Very high	89.8	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	34%	0.343	C	S	.	.	H	α-helix	trans	-100.7	-41	-176.4	-57.9	179.8	0	0	0	112.5	L366 I400 V405 C408 D409 N413 L414 W427 Y436 L450	L366-L411 HydrophobicContact CD2-CD1 4.12Å; I400-L411 HydrophobicContact CD1-CD1 4.24Å; V405-L411 HydrophobicContact CG1-CB 4Å; C408-L411 HydrophobicContact CB-CB 4.17Å; C408-L411 HydrophobicContact CB-CD1 3.99Å; C408-L411 HydrophobicContact CB-CG 3.98Å; C408-L411 PolarHBondContact O-N 2.94Å; D409-L411 VanDerWaalsContact C-N 3.33Å; L411-N413 PolarHBondContact O-N 2.91Å; L411-N413 VanDerWaalsContact O-N 3.11Å; L411-L414 PolarHBondContact O-N 2.76Å; L411-W427 HydrophobicContact CD2-CE3 3.79Å; L411-W427 HydrophobicContact CD2-CZ3 3.95Å; L411-Y436 HydrophobicContact CB-CE1 4.37Å; L411-Y436 HydrophobicContact CD2-CD1 3.89Å; L411-Y436 HydrophobicContact CD2-CD2 4.36Å; L411-Y436 HydrophobicContact CD2-CE1 4.42Å; L411-Y436 HydrophobicContact CD2-CG 3.84Å; L411-L450 HydrophobicContact CD1-CD1 4.3Å; L411-L450 HydrophobicContact CD2-CD1 3.96Å
412	K	85.8	Confident	89.7	Confident	89 Å²	89	65 Å²	65	39%	0.387	38%	0.384	S	S	.	.	H	α-helix	trans	-64.8	-19.3	-167.4	77	-171.9	-168.3	-173.9	0	115.8	P406 C408 D409	P406-K412 VanDerWaalsContact O-CD 3.32Å; P406-K412 WeakPolarHBondContact O-CD 3.46Å; C408-K412 WeakPolarHBondContact O-CB 3.48Å; C408-K412 PolarHBondContact O-N 3.49Å; D409-K412 WeakPolarHBondContact OD1-CE 3.26Å; D409-K412 IonicContact OD1-NZ 3.51Å; D409-K412 PolarHBondContact OD1-NZ 2.75Å
413	N	79.9	Confident	89.7	Confident	116 Å²	116	66.4 Å²	66.4	62%	0.62	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	12.4	-177.3	-62.4	-44.6	0	0	0	113	L411 D415	L411-N413 PolarHBondContact O-N 2.91Å; L411-N413 VanDerWaalsContact O-N 3.11Å; N413-D415 PolarHBondContact O-N 2.92Å
414	L	83.9	Confident	89.8	Confident	9 Å²	9	61.6 Å²	61.6	5%	0.047	38%	0.376	C	S	.	.			trans	-90.3	72.3	179.1	-65.9	175.8	0	0	0	110.4	H410 L411 L419 W427 R429 Y436	H410-L414 WeakPolarHBondContact O-CD1 3.29Å; H410-L414 WeakPolarHBondContact O-CG 3.29Å; L411-L414 PolarHBondContact O-N 2.76Å; L414-L419 HydrophobicContact CD2-CB 3.88Å; L414-W427 HydrophobicContact CD1-CB 4.01Å; L414-R429 HydrophobicContact CB-CB 4.16Å; L414-R429 WeakPolarHBondContact O-CD 3.46Å; L414-Y436 HydrophobicContact CB-CD1 4.41Å; L414-Y436 HydrophobicContact CB-CE1 4.09Å; L414-Y436 HydrophobicContact CD1-CD1 3.8Å; L414-Y436 HydrophobicContact CD1-CE1 4.19Å
415	D	67.7	Low	89.8	Confident	127 Å²	127	61.5 Å²	61.5	68%	0.679	37%	0.374	S	S	*	.	S	Bend	trans	-79.9	-27.1	-177.2	-66.4	-28.4	0	0	0	112.9	N413	N413-D415 PolarHBondContact O-N 2.92Å
416	S	66.5	Low	89.9	Confident	115 Å²	115	61.4 Å²	61.4	80%	0.804	37%	0.374	S	S	*	.	S	Bend	trans	-174.4	25.6	171.4	62.6	0	0	0	0	113.2
417	G	74.3	Confident	89.9	Confident	41 Å²	41	57.7 Å²	57.7	42%	0.423	35%	0.349	S	S	.	.			trans	-127.6	176.3	-171.8	0	0	0	0	0	113
418	S	89.8	Confident	89.8	Confident	82 Å²	82	56 Å²	56	57%	0.573	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	138	170.7	59.7	0	0	0	0	110	W427	S418-W427 CarbonylContact C-O 3.44Å; S418-W427 WeakPolarHBondContact CA-O 3.39Å
419	L	93.6	Very high	89.6	Confident	70 Å²	70	60.1 Å²	60.1	37%	0.366	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	123.4	170.9	171.6	68.5	0	0	0	108.8	H410 L414 V426 W427	H410-L419 HydrophobicContact CB-CD2 4.47Å; L414-L419 HydrophobicContact CD2-CB 3.88Å; L419-V426 CarbonylContact O-C 3.53Å; L419-V426 WeakPolarHBondContact O-CA 3.47Å; L419-W427 HydrophobicContact CB-CB 4.34Å; L419-W427 PolarHBondContact N-O 2.89Å; L419-W427 PolarHBondContact O-N 2.83Å
420	V	96.1	Very high	89.2	Confident	60 Å²	60	56 Å²	56	36%	0.364	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	118.7	167.8	-172	0	0	0	0	108	Y425 V426 E442	V420-Y425 WeakPolarHBondContact CA-O 3.29Å; V420-V426 HydrophobicContact CG2-CG1 4.48Å; V420-V426 HydrophobicContact CG2-CG2 4.2Å; V420-E442 HydrophobicContact CG1-CG 4.38Å; V420-E442 HydrophobicContact CG2-CG 3.87Å
421	D	95.6	Very high	88.4	Confident	16 Å²	16	60.7 Å²	60.7	9%	0.086	37%	0.366	C	S	.	.			trans	-80.2	172.9	-179.6	74.3	23.7	0	0	0	112.8	Y361 N423 G424 Y425 W427	Y361-D421 WeakPolarHBondContact CE1-OD2 3.45Å; Y361-D421 VanDerWaalsContact CZ-OD2 3.29Å; Y361-D421 PolarHBondContact OH-OD1 3.29Å; Y361-D421 PolarHBondContact OH-OD2 3.5Å; D421-N423 PolarHBondContact O-N 2.99Å; D421-N423 VanDerWaalsContact O-N 3.1Å; D421-N423 VanDerWaalsContact OD1-C 3.31Å; D421-N423 WeakPolarHBondContact OD1-CA 3.44Å; D421-N423 WeakPolarHBondContact OD1-CB 3.25Å; D421-N423 PolarHBondContact OD1-N 3.21Å; D421-G424 PolarHBondContact O-N 3.28Å; D421-G424 PolarHBondContact OD1-N 2.83Å; D421-Y425 PolarHBondContact N-O 3.38Å; D421-Y425 PolarHBondContact OD1-N 3.42Å; D421-W427 PolarHBondContact OD2-NE1 2.86Å
422	A	96.3	Very high	87.3	Confident	109 Å²	109	69.6 Å²	69.6	90%	0.901	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.8	-178.3	0	0	0	0	0	113.9
423	N	97.3	Very high	86.6	Confident	98 Å²	98	65.8 Å²	65.8	52%	0.524	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	2.5	176.6	-64.1	-59.9	0	0	0	112.1	K324 Y361 D421 Y425	K324-N423 WeakPolarHBondContact CE-O 3.44Å; K324-N423 PolarHBondContact NZ-O 3.27Å; Y361-N423 HydrophobicContact CE2-CB 4.12Å; Y361-N423 WeakPolarHBondContact CE2-ND2 3.33Å; Y361-N423 PolarHBondContact OH-ND2 2.91Å; D421-N423 PolarHBondContact O-N 2.99Å; D421-N423 VanDerWaalsContact O-N 3.1Å; D421-N423 VanDerWaalsContact OD1-C 3.31Å; D421-N423 WeakPolarHBondContact OD1-CA 3.44Å; D421-N423 WeakPolarHBondContact OD1-CB 3.25Å; D421-N423 PolarHBondContact OD1-N 3.21Å; N423-Y425 HydrophobicContact CB-CD2 3.81Å; N423-Y425 HydrophobicContact CB-CE2 3.91Å
424	G	97.4	Very high	86.8	Confident	24 Å²	24	63.6 Å²	63.6	25%	0.247	38%	0.382	C	S	.	.	S	Bend	trans	79.8	16.8	176.7	0	0	0	0	0	114.7	D421 S441	D421-G424 PolarHBondContact O-N 3.28Å; D421-G424 PolarHBondContact OD1-N 2.83Å; G424-S441 VanDerWaalsContact O-CA 3.3Å; G424-S441 WeakPolarHBondContact O-CA 3.48Å
425	Y	98.4	Very high	87.2	Confident	12 Å²	12	63.7 Å²	63.7	5%	0.047	38%	0.382	C	S	.	.			trans	-82	146.1	168.8	-63.5	-93.8	0	0	0	109.9	T358 Y361 V420 D421 N423 Q439 Y440	T358-Y425 HydrophobicContact CG2-CD1 4.03Å; T358-Y425 HydrophobicContact CG2-CE1 3.99Å; Y361-Y425 AromaticContact CD1-CD1 3.99Å; Y361-Y425 HydrophobicContact CD1-CD1 3.99Å; Y361-Y425 AromaticContact CD1-CD2 3.46Å; Y361-Y425 HydrophobicContact CD1-CD2 3.46Å; Y361-Y425 VanDerWaalsContact CD1-CD2 3.46Å; Y361-Y425 HydrophobicContact CD1-CE1 4Å; Y361-Y425 AromaticContact CD1-CE2 3.46Å; Y361-Y425 HydrophobicContact CD1-CE2 3.46Å; Y361-Y425 VanDerWaalsContact CD1-CE2 3.46Å; Y361-Y425 AromaticContact CD1-CG 3.72Å; Y361-Y425 HydrophobicContact CD1-CG 3.72Å; Y361-Y425 AromaticContact CD1-CZ 3.73Å; Y361-Y425 HydrophobicContact CD2-CD2 4.27Å; Y361-Y425 AromaticContact CD2-CE2 3.64Å; Y361-Y425 HydrophobicContact CD2-CE2 3.64Å; Y361-Y425 HydrophobicContact CE1-CD1 4.34Å; Y361-Y425 AromaticContact CE1-CD2 3.16Å; Y361-Y425 HydrophobicContact CE1-CD2 3.16Å; Y361-Y425 AromaticContact CE1-CE2 3.56Å; Y361-Y425 HydrophobicContact CE1-CE2 3.56Å; Y361-Y425 AromaticContact CE1-CG 3.6Å; Y361-Y425 HydrophobicContact CE1-CG 3.6Å; Y361-Y425 HydrophobicContact CE2-CD2 4.06Å; Y361-Y425 AromaticContact CE2-CE2 3.76Å; Y361-Y425 HydrophobicContact CE2-CE2 3.76Å; Y361-Y425 AromaticContact CG-CD2 3.99Å; Y361-Y425 HydrophobicContact CG-CD2 3.99Å; Y361-Y425 HydrophobicContact CG-CE1 4.22Å; Y361-Y425 AromaticContact CG-CE2 3.47Å; Y361-Y425 HydrophobicContact CG-CE2 3.47Å; Y361-Y425 VanDerWaalsContact CG-CE2 3.47Å; Y361-Y425 AromaticContact CG-CZ 3.6Å; Y361-Y425 AromaticContact CZ-CD2 3.49Å; Y361-Y425 VanDerWaalsContact CZ-CD2 3.49Å; Y361-Y425 AromaticContact CZ-CE2 3.7Å; V420-Y425 WeakPolarHBondContact CA-O 3.29Å; D421-Y425 PolarHBondContact N-O 3.38Å; D421-Y425 PolarHBondContact OD1-N 3.42Å; N423-Y425 HydrophobicContact CB-CD2 3.81Å; N423-Y425 HydrophobicContact CB-CE2 3.91Å; Y425-Q439 WeakPolarHBondContact CA-O 3.34Å; Y425-Y440 AromaticContact CE1-CD2 3.85Å; Y425-Y440 HydrophobicContact CE1-CD2 3.85Å; Y425-Y440 HydrophobicContact CE1-CE2 4.39Å
426	V	97.6	Very high	88.5	Confident	9 Å²	9	58.5 Å²	58.5	6%	0.055	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	117.4	-179	-169.9	0	0	0	0	109.2	L419 V420 V438 Q439 E442	L419-V426 CarbonylContact O-C 3.53Å; L419-V426 WeakPolarHBondContact O-CA 3.47Å; V420-V426 HydrophobicContact CG2-CG1 4.48Å; V420-V426 HydrophobicContact CG2-CG2 4.2Å; V426-V438 CarbonylContact O-C 3.58Å; V426-V438 VanDerWaalsContact O-CA 3.28Å; V426-V438 WeakPolarHBondContact O-CA 3.36Å; V426-Q439 HydrophobicContact CB-CB 4.11Å; V426-Q439 HydrophobicContact CB-CG 4.49Å; V426-Q439 PolarHBondContact N-O 3.12Å; V426-Q439 VanDerWaalsContact N-O 3.12Å; V426-Q439 PolarHBondContact O-N 3.33Å; V426-E442 HydrophobicContact CG2-CB 4.33Å; V426-E442 HydrophobicContact CG2-CG 3.69Å
427	W	97.1	Very high	89.9	Confident	1 Å²	1	55.9 Å²	55.9	0%	0.004	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	124.6	176.2	-57.8	73.2	0	0	0	108.6	Y361 V362 I365 H410 L411 L414 S418 L419 D421 R437 V438 L450	Y361-W427 HydrophobicContact CD1-CZ2 4.45Å; Y361-W427 AromaticContact CE1-CZ2 3.99Å; Y361-W427 HydrophobicContact CE1-CZ2 3.99Å; V362-W427 HydrophobicContact CG1-CH2 4.47Å; V362-W427 HydrophobicContact CG2-CH2 4.25Å; I365-W427 HydrophobicContact CB-CH2 4.22Å; I365-W427 HydrophobicContact CD1-CH2 4.02Å; I365-W427 HydrophobicContact CD1-CZ2 3.52Å; I365-W427 HydrophobicContact CG2-CH2 3.89Å; I365-W427 HydrophobicContact CG2-CZ2 4.35Å; H410-W427 HydrophobicContact CB-CD2 3.78Å; H410-W427 HydrophobicContact CB-CE3 3.77Å; H410-W427 HydrophobicContact CB-CG 4.29Å; H410-W427 HydrophobicContact CB-CH2 4.38Å; H410-W427 HydrophobicContact CB-CZ2 4.38Å; H410-W427 HydrophobicContact CB-CZ3 4.08Å; H410-W427 AromaticContact CD2-CE2 3.82Å; H410-W427 AromaticContact CD2-NE1 3.69Å; L411-W427 HydrophobicContact CD2-CE3 3.79Å; L411-W427 HydrophobicContact CD2-CZ3 3.95Å; L414-W427 HydrophobicContact CD1-CB 4.01Å; S418-W427 CarbonylContact C-O 3.44Å; S418-W427 WeakPolarHBondContact CA-O 3.39Å; L419-W427 HydrophobicContact CB-CB 4.34Å; L419-W427 PolarHBondContact N-O 2.89Å; L419-W427 PolarHBondContact O-N 2.83Å; D421-W427 PolarHBondContact OD2-NE1 2.86Å; W427-R437 WeakPolarHBondContact CA-O 2.88Å; W427-V438 HydrophobicContact CD2-CB 4.48Å; W427-V438 HydrophobicContact CD2-CG1 3.88Å; W427-V438 HydrophobicContact CD2-CG2 3.83Å; W427-V438 HydrophobicContact CE3-CB 4.44Å; W427-V438 HydrophobicContact CE3-CG1 4.27Å; W427-V438 HydrophobicContact CE3-CG2 3.36Å; W427-V438 HydrophobicContact CG-CG1 4.29Å; W427-V438 HydrophobicContact CH2-CG1 4.37Å; W427-V438 HydrophobicContact CH2-CG2 4.06Å; W427-V438 HydrophobicContact CZ2-CG1 3.99Å; W427-V438 HydrophobicContact CZ2-CG2 4.45Å; W427-V438 HydrophobicContact CZ3-CG2 3.5Å; W427-L450 HydrophobicContact CZ3-CD1 4.39Å
428	E	94.3	Very high	91.1	Very high	49 Å²	49	53.9 Å²	53.9	23%	0.229	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	151.8	-179.3	66.9	-171.4	175.3	0	0	110.9	Y436 R437 Q439	E428-Y436 CarbonylContact O-C 3.59Å; E428-Y436 WeakPolarHBondContact O-CA 3.12Å; E428-R437 HydrophobicContact CG-CB 3.74Å; E428-R437 HydrophobicContact CG-CG 4.29Å; E428-R437 PolarHBondContact N-O 3.07Å; E428-R437 PolarHBondContact O-N 3.48Å; E428-R437 WeakPolarHBondContact OE1-CD 3.26Å; E428-R437 WeakPolarHBondContact OE1-CG 3.02Å; E428-Q439 PolarHBondContact OE1-NE2 2.95Å; E428-Q439 PolarHBondContact OE2-NE2 2.57Å
429	R	91.3	Very high	91.5	Very high	87 Å²	87	51 Å²	51	33%	0.328	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	120	167.3	-175.5	173.1	176.5	177.7	-0.7	108.5	L414 V431 D434 Y436	L414-R429 HydrophobicContact CB-CB 4.16Å; L414-R429 WeakPolarHBondContact O-CD 3.46Å; R429-V431 PolarHBondContact O-N 2.76Å; R429-D434 IonicContact CZ-OD1 2.84Å; R429-D434 IonicContact NE-OD1 2.61Å; R429-D434 IonicContact NH2-OD1 3.72Å; R429-D434 PolarHBondContact NH2-OD1 2.79Å; R429-Y436 HydrophobicContact CB-CD1 4.23Å; R429-Y436 HydrophobicContact CB-CE1 4.28Å; R429-Y436 HydrophobicContact CG-CD1 4.5Å; R429-Y436 HydrophobicContact CG-CE1 4.34Å
430	A	84.1	Confident	91.7	Very high	14 Å²	14	48 Å²	48	12%	0.116	27%	0.266	C	S	.	.			trans	-68.9	127.3	-179.2	0	0	0	0	0	110.6	E432 F435	A430-E432 PolarHBondContact O-N 2.8Å; A430-F435 HydrophobicContact CB-CD1 3.77Å; A430-F435 HydrophobicContact CB-CD2 3.76Å; A430-F435 HydrophobicContact CB-CE1 3.46Å; A430-F435 VanDerWaalsContact CB-CE1 3.46Å; A430-F435 HydrophobicContact CB-CE2 3.46Å; A430-F435 VanDerWaalsContact CB-CE2 3.46Å; A430-F435 HydrophobicContact CB-CG 3.91Å; A430-F435 HydrophobicContact CB-CZ 3.3Å; A430-F435 WeakPolarHBondContact CB-O 3.41Å; A430-F435 PolarHBondContact N-O 3.07Å
431	V	75.4	Confident	91.8	Very high	146 Å²	146	45.5 Å²	45.5	89%	0.885	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-23.7	179.5	-174.2	0	0	0	0	111.7	R429	R429-V431 PolarHBondContact O-N 2.76Å
432	E	71.6	Confident	91.9	Very high	188 Å²	188	51.4 Å²	51.4	88%	0.879	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-16.4	-169.2	-63.9	174.7	178.2	0	0	114.2	A430	A430-E432 PolarHBondContact O-N 2.8Å
433	G	69.6	Low	91.9	Very high	9 Å²	9	48.2 Å²	48.2	9%	0.093	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-163.7	24.9	-168.6	0	0	0	0	0	117.5	F435 T464	G433-F435 WeakPolarHBondContact O-CD1 3.45Å; G433-F435 PolarHBondContact O-N 2.84Å; G433-F435 VanDerWaalsContact O-N 3.11Å; G433-T464 VanDerWaalsContact C-OG1 3.28Å; G433-T464 PolarHBondContact O-OG1 2.94Å
434	D	84.9	Confident	92	Very high	69 Å²	69	43.5 Å²	43.5	37%	0.369	23%	0.227	S	C	.	.	S	Bend	trans	47.3	40.6	177.7	-77.5	-48	0	0	0	114.9	R429 P452 T464	R429-D434 IonicContact CZ-OD1 2.84Å; R429-D434 IonicContact NE-OD1 2.61Å; R429-D434 IonicContact NH2-OD1 3.72Å; R429-D434 PolarHBondContact NH2-OD1 2.79Å; D434-P452 WeakPolarHBondContact O-CD 3.4Å; D434-P452 WeakPolarHBondContact O-CG 3.46Å; D434-T464 HydrophobicContact CB-CG2 4.28Å; D434-T464 WeakPolarHBondContact OD2-CG2 3.47Å
435	F	92.3	Very high	92	Very high	11 Å²	11	46.5 Å²	46.5	5%	0.048	24%	0.235	C	C	.	.			trans	-120.5	166.4	173.6	66.9	-90	0	0	0	110.7	A430 G433 R437 D449 L450 W451	A430-F435 HydrophobicContact CB-CD1 3.77Å; A430-F435 HydrophobicContact CB-CD2 3.76Å; A430-F435 HydrophobicContact CB-CE1 3.46Å; A430-F435 VanDerWaalsContact CB-CE1 3.46Å; A430-F435 HydrophobicContact CB-CE2 3.46Å; A430-F435 VanDerWaalsContact CB-CE2 3.46Å; A430-F435 HydrophobicContact CB-CG 3.91Å; A430-F435 HydrophobicContact CB-CZ 3.3Å; A430-F435 WeakPolarHBondContact CB-O 3.41Å; A430-F435 PolarHBondContact N-O 3.07Å; G433-F435 WeakPolarHBondContact O-CD1 3.45Å; G433-F435 PolarHBondContact O-N 2.84Å; G433-F435 VanDerWaalsContact O-N 3.11Å; F435-R437 HydrophobicContact CE2-CB 4.35Å; F435-D449 HydrophobicContact CD2-CB 4.13Å; F435-D449 HydrophobicContact CE2-CB 4.28Å; F435-L450 WeakPolarHBondContact CB-O 3.49Å; F435-W451 HydrophobicContact CB-CD2 4.13Å; F435-W451 HydrophobicContact CB-CE3 3.63Å; F435-W451 HydrophobicContact CB-CH2 4.49Å; F435-W451 HydrophobicContact CB-CZ3 3.84Å; F435-W451 HydrophobicContact CD1-CE3 4.11Å; F435-W451 AromaticContact CD1-CH2 3.61Å; F435-W451 HydrophobicContact CD1-CH2 3.61Å; F435-W451 HydrophobicContact CD1-CZ2 4.47Å; F435-W451 AromaticContact CD1-CZ3 3.39Å; F435-W451 HydrophobicContact CD1-CZ3 3.39Å; F435-W451 HydrophobicContact CD2-CH2 4.43Å; F435-W451 AromaticContact CE1-CH2 3.83Å; F435-W451 HydrophobicContact CE1-CH2 3.83Å; F435-W451 HydrophobicContact CE1-CZ3 4.05Å; F435-W451 HydrophobicContact CG-CD2 4.49Å; F435-W451 HydrophobicContact CG-CE3 4Å; F435-W451 AromaticContact CG-CH2 3.95Å; F435-W451 HydrophobicContact CG-CH2 3.95Å; F435-W451 HydrophobicContact CG-CZ2 4.43Å; F435-W451 AromaticContact CG-CZ3 3.71Å; F435-W451 HydrophobicContact CG-CZ3 3.71Å; F435-W451 HydrophobicContact CZ-CH2 4.33Å
436	Y	95.3	Very high	92	Very high	18 Å²	18	46 Å²	46	7%	0.071	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	144.4	173.6	-55.7	-91.6	0	0	0	110.2	I400 V405 L411 L414 E428 R429 D449 L450 P452	I400-Y436 HydrophobicContact CD1-CD2 4.38Å; V405-Y436 HydrophobicContact CG1-CE2 4.32Å; V405-Y436 WeakPolarHBondContact CG1-OH 3.45Å; V405-Y436 HydrophobicContact CG2-CE2 4.11Å; L411-Y436 HydrophobicContact CB-CE1 4.37Å; L411-Y436 HydrophobicContact CD2-CD1 3.89Å; L411-Y436 HydrophobicContact CD2-CD2 4.36Å; L411-Y436 HydrophobicContact CD2-CE1 4.42Å; L411-Y436 HydrophobicContact CD2-CG 3.84Å; L414-Y436 HydrophobicContact CB-CD1 4.41Å; L414-Y436 HydrophobicContact CB-CE1 4.09Å; L414-Y436 HydrophobicContact CD1-CD1 3.8Å; L414-Y436 HydrophobicContact CD1-CE1 4.19Å; E428-Y436 CarbonylContact O-C 3.59Å; E428-Y436 WeakPolarHBondContact O-CA 3.12Å; R429-Y436 HydrophobicContact CB-CD1 4.23Å; R429-Y436 HydrophobicContact CB-CE1 4.28Å; R429-Y436 HydrophobicContact CG-CD1 4.5Å; R429-Y436 HydrophobicContact CG-CE1 4.34Å; Y436-D449 CarbonylContact O-C 3.54Å; Y436-D449 WeakPolarHBondContact O-CA 3.3Å; Y436-L450 PolarHBondContact N-O 3.35Å; Y436-L450 PolarHBondContact O-N 2.63Å; Y436-P452 HydrophobicContact CE2-CG 4.49Å
437	R	96.4	Very high	92.1	Very high	60 Å²	60	46 Å²	46	23%	0.226	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.8	177	175.3	165.9	-72.1	164.1	-1	109.7	W427 E428 F435 Q439 H447 D449	W427-R437 WeakPolarHBondContact CA-O 2.88Å; E428-R437 HydrophobicContact CG-CB 3.74Å; E428-R437 HydrophobicContact CG-CG 4.29Å; E428-R437 PolarHBondContact N-O 3.07Å; E428-R437 PolarHBondContact O-N 3.48Å; E428-R437 WeakPolarHBondContact OE1-CD 3.26Å; E428-R437 WeakPolarHBondContact OE1-CG 3.02Å; F435-R437 HydrophobicContact CE2-CB 4.35Å; R437-Q439 HydrophobicContact CG-CG 4.09Å; R437-H447 HydrophobicContact CG-CB 3.73Å; R437-H447 PolarHBondContact NE-CD2 3.47Å; R437-H447 VanDerWaalsContact NE-CD2 3.35Å; R437-D449 WeakPolarHBondContact CB-OD1 3.49Å; R437-D449 VanDerWaalsContact CG-OD1 3.31Å; R437-D449 WeakPolarHBondContact CG-OD1 3.3Å; R437-D449 IonicContact CZ-OD1 3.48Å; R437-D449 IonicContact CZ-OD2 3.57Å; R437-D449 IonicContact NE-OD1 3.34Å; R437-D449 PolarHBondContact NE-OD1 3Å; R437-D449 IonicContact NE-OD2 2.76Å; R437-D449 IonicContact NH2-OD1 2.75Å; R437-D449 IonicContact NH2-OD2 3.52Å; R437-D449 PolarHBondContact NH2-OD2 3.13Å
438	V	97.9	Very high	92.1	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	105.8	175.9	-166.8	0	0	0	0	109.4	T358 V362 V426 W427 H447 V448 L450	T358-V438 HydrophobicContact CG2-CG1 4.45Å; V362-V438 HydrophobicContact CG2-CB 3.72Å; V362-V438 HydrophobicContact CG2-CG1 3.65Å; V362-V438 HydrophobicContact CG2-CG2 3.92Å; V426-V438 CarbonylContact O-C 3.58Å; V426-V438 VanDerWaalsContact O-CA 3.28Å; V426-V438 WeakPolarHBondContact O-CA 3.36Å; W427-V438 HydrophobicContact CD2-CB 4.48Å; W427-V438 HydrophobicContact CD2-CG1 3.88Å; W427-V438 HydrophobicContact CD2-CG2 3.83Å; W427-V438 HydrophobicContact CE3-CB 4.44Å; W427-V438 HydrophobicContact CE3-CG1 4.27Å; W427-V438 HydrophobicContact CE3-CG2 3.36Å; W427-V438 HydrophobicContact CG-CG1 4.29Å; W427-V438 HydrophobicContact CH2-CG1 4.37Å; W427-V438 HydrophobicContact CH2-CG2 4.06Å; W427-V438 HydrophobicContact CZ2-CG1 3.99Å; W427-V438 HydrophobicContact CZ2-CG2 4.45Å; W427-V438 HydrophobicContact CZ3-CG2 3.5Å; V438-H447 CarbonylContact O-C 3.57Å; V438-H447 WeakPolarHBondContact O-CA 3.33Å; V438-H447 WeakPolarHBondContact O-CB 3.43Å; V438-V448 PolarHBondContact N-O 3.32Å; V438-V448 PolarHBondContact O-N 3Å; V438-L450 HydrophobicContact CG2-CD1 4.29Å
439	Q	98.2	Very high	92.3	Very high	20 Å²	20	43.8 Å²	43.8	9%	0.093	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	148.3	-179.1	-49.5	-178.9	-1.7	0	0	111.5	Y425 V426 E428 R437 S441 H445 L446 H447	Y425-Q439 WeakPolarHBondContact CA-O 3.34Å; V426-Q439 HydrophobicContact CB-CB 4.11Å; V426-Q439 HydrophobicContact CB-CG 4.49Å; V426-Q439 PolarHBondContact N-O 3.12Å; V426-Q439 VanDerWaalsContact N-O 3.12Å; V426-Q439 PolarHBondContact O-N 3.33Å; E428-Q439 PolarHBondContact OE1-NE2 2.95Å; E428-Q439 PolarHBondContact OE2-NE2 2.57Å; R437-Q439 HydrophobicContact CG-CG 4.09Å; Q439-S441 VanDerWaalsContact C-N 3.28Å; Q439-S441 PolarHBondContact O-N 2.85Å; Q439-H445 PolarHBondContact OE1-CD2 2.95Å; Q439-L446 CarbonylContact C-O 3.52Å; Q439-L446 WeakPolarHBondContact CA-O 3.4Å; Q439-H447 HydrophobicContact CG-CB 4.34Å
440	Y	98.6	Very high	92.6	Very high	8 Å²	8	39.7 Å²	39.7	3%	0.031	21%	0.206	C	C	.	.	S	Bend	trans	-59.2	-39.5	-179.5	-175.6	-133.4	0	0	0	111.9	K324 A354 E357 T358 Y425 N444 L446	K324-Y440 HydrophobicContact CB-CD1 4.43Å; K324-Y440 HydrophobicContact CB-CE1 3.77Å; K324-Y440 HydrophobicContact CD-CE2 4.29Å; K324-Y440 WeakPolarHBondContact CE-O 3.36Å; K324-Y440 HydrophobicContact CG-CD1 4.32Å; K324-Y440 HydrophobicContact CG-CE1 4.03Å; K324-Y440 HydrophobicContact CG-CE2 4.41Å; A354-Y440 HydrophobicContact CB-CD1 3.66Å; A354-Y440 HydrophobicContact CB-CD2 4.3Å; A354-Y440 HydrophobicContact CB-CE1 3.64Å; A354-Y440 HydrophobicContact CB-CE2 4.31Å; A354-Y440 HydrophobicContact CB-CG 4Å; E357-Y440 HydrophobicContact CB-CE2 4.35Å; E357-Y440 VanDerWaalsContact CD-OH 3.31Å; E357-Y440 HydrophobicContact CG-CE2 4.22Å; E357-Y440 WeakPolarHBondContact OE1-CE2 3.21Å; E357-Y440 PolarHBondContact OE1-OH 3Å; E357-Y440 VanDerWaalsContact OE1-OH 3.13Å; E357-Y440 PolarHBondContact OE2-OH 3.19Å; T358-Y440 VanDerWaalsContact OG1-CD2 3.29Å; T358-Y440 WeakPolarHBondContact OG1-CD2 3.31Å; Y425-Y440 AromaticContact CE1-CD2 3.85Å; Y425-Y440 HydrophobicContact CE1-CD2 3.85Å; Y425-Y440 HydrophobicContact CE1-CE2 4.39Å; Y440-N444 WeakPolarHBondContact CB-O 3.38Å; Y440-N444 HydrophobicContact CD1-CB 3.89Å; Y440-N444 PolarHBondContact N-O 3.39Å; Y440-L446 PolarHBondContact N-O 3.08Å
441	S	98.5	Very high	93.2	Very high	8 Å²	8	40.3 Å²	40.3	6%	0.056	21%	0.206	C	C	.	.			trans	-164.6	173.8	167.9	69.5	0	0	0	0	112.3	K324 G424 Q439 A443 N444	K324-S441 VanDerWaalsContact O-CB 3.3Å; K324-S441 WeakPolarHBondContact O-CB 3.35Å; K324-S441 PolarHBondContact O-OG 3.43Å; G424-S441 VanDerWaalsContact O-CA 3.3Å; G424-S441 WeakPolarHBondContact O-CA 3.48Å; Q439-S441 VanDerWaalsContact C-N 3.28Å; Q439-S441 PolarHBondContact O-N 2.85Å; S441-A443 PolarHBondContact O-N 2.68Å; S441-A443 PolarHBondContact OG-N 3.42Å; S441-N444 PolarHBondContact N-O 3.17Å; S441-N444 CarbonylContact O-C 3.59Å; S441-N444 PolarHBondContact O-N 3.15Å; S441-N444 VanDerWaalsContact O-O 3.09Å; S441-N444 WeakPolarHBondContact OG-CB 3.18Å; S441-N444 PolarHBondContact OG-N 3.34Å
442	E	97.1	Very high	94.2	Very high	140 Å²	140	34 Å²	34	65%	0.654	17%	0.168	S	C	*	.	S	Bend	trans	-55.7	-33.3	172.2	-65.2	-178.8	95.2	0	0	112.8	V420 V426 H445	V420-E442 HydrophobicContact CG1-CG 4.38Å; V420-E442 HydrophobicContact CG2-CG 3.87Å; V426-E442 HydrophobicContact CG2-CB 4.33Å; V426-E442 HydrophobicContact CG2-CG 3.69Å; E442-H445 PolarHBondContact O-NE2 3.05Å
443	A	97.6	Very high	95.5	Very high	41 Å²	41	25.1 Å²	25.1	34%	0.339	13%	0.126	S	C	.	.	S	Bend	trans	-84.8	-29.8	177.1	0	0	0	0	0	112.5	P327 S441	P327-A443 VanDerWaalsContact CA-O 3.23Å; P327-A443 WeakPolarHBondContact CA-O 3.43Å; S441-A443 PolarHBondContact O-N 2.68Å; S441-A443 PolarHBondContact OG-N 3.42Å
444	N	98.5	Very high	96.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.133	C	C	.	.			trans	-120.7	100.7	-169.7	-163.8	-43.5	0	0	0	112	T323 T326 R328 Y440 S441 L446	T323-N444 PolarHBondContact O-ND2 3.2Å; T326-N444 VanDerWaalsContact O-CB 3.28Å; T326-N444 WeakPolarHBondContact O-CB 3.49Å; T326-N444 PolarHBondContact O-ND2 3.26Å; R328-N444 WeakPolarHBondContact CB-OD1 3.5Å; Y440-N444 WeakPolarHBondContact CB-O 3.38Å; Y440-N444 HydrophobicContact CD1-CB 3.89Å; Y440-N444 PolarHBondContact N-O 3.39Å; S441-N444 PolarHBondContact N-O 3.17Å; S441-N444 CarbonylContact O-C 3.59Å; S441-N444 PolarHBondContact O-N 3.15Å; S441-N444 VanDerWaalsContact O-O 3.09Å; S441-N444 WeakPolarHBondContact OG-CB 3.18Å; S441-N444 PolarHBondContact OG-N 3.34Å; N444-L446 PolarHBondContact O-N 3.22Å; N444-L446 VanDerWaalsContact O-N 3.15Å; N444-L446 WeakPolarHBondContact OD1-CD1 3.26Å; N444-L446 VanDerWaalsContact OD1-CG 3.3Å; N444-L446 WeakPolarHBondContact OD1-CG 3.45Å; N444-L446 PolarHBondContact OD1-N 3.19Å
445	H	97.6	Very high	97.4	Very high	87 Å²	87	26.3 Å²	26.3	40%	0.403	13%	0.13	S	C	.	.			trans	-86.7	28.4	-174.1	-50	158.2	0	0	0	114.2	R328 Q439 E442 H447	R328-H445 PolarHBondContact NH1-O 2.92Å; Q439-H445 PolarHBondContact OE1-CD2 2.95Å; E442-H445 PolarHBondContact O-NE2 3.05Å; H445-H447 PolarHBondContact O-ND1 3.38Å
446	L	98.6	Very high	97.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.15	C	C	.	.			trans	-68.9	136.7	161.2	-70.7	165.6	0	0	0	108.1	R328 F330 C351 A354 L355 Q439 Y440 N444	R328-L446 HydrophobicContact CB-CD1 4.16Å; R328-L446 HydrophobicContact CB-CD2 4.24Å; R328-L446 HydrophobicContact CB-CG 3.76Å; F330-L446 HydrophobicContact CE1-CD2 3.87Å; F330-L446 HydrophobicContact CZ-CD2 3.7Å; C351-L446 VanDerWaalsContact CA-CD1 3.46Å; C351-L446 HydrophobicContact CB-CD1 3.65Å; C351-L446 HydrophobicContact CB-CD2 3.88Å; C351-L446 HydrophobicContact CB-CG 4.43Å; A354-L446 HydrophobicContact CB-CD1 3.67Å; L355-L446 HydrophobicContact CD1-CD2 4.4Å; L355-L446 HydrophobicContact CD2-CB 3.93Å; L355-L446 HydrophobicContact CD2-CD2 4.25Å; L355-L446 HydrophobicContact CG-CB 4.37Å; L355-L446 HydrophobicContact CG-CD2 4.21Å; Q439-L446 CarbonylContact C-O 3.52Å; Q439-L446 WeakPolarHBondContact CA-O 3.4Å; Y440-L446 PolarHBondContact N-O 3.08Å; N444-L446 PolarHBondContact O-N 3.22Å; N444-L446 VanDerWaalsContact O-N 3.15Å; N444-L446 WeakPolarHBondContact OD1-CD1 3.26Å; N444-L446 VanDerWaalsContact OD1-CG 3.3Å; N444-L446 WeakPolarHBondContact OD1-CG 3.45Å; N444-L446 PolarHBondContact OD1-N 3.19Å
447	H	98.2	Very high	97.6	Very high	10 Å²	10	38.6 Å²	38.6	5%	0.046	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	162.3	-165.6	55.8	-91.4	0	0	0	114.5	L355 D395 V396 R437 V438 Q439 H445 D449	L355-H447 WeakPolarHBondContact CD2-O 3.41Å; D395-H447 IonicContact OD2-NE2 3.61Å; V396-H447 PolarHBondContact N-O 3.39Å; R437-H447 HydrophobicContact CG-CB 3.73Å; R437-H447 PolarHBondContact NE-CD2 3.47Å; R437-H447 VanDerWaalsContact NE-CD2 3.35Å; V438-H447 CarbonylContact O-C 3.57Å; V438-H447 WeakPolarHBondContact O-CA 3.33Å; V438-H447 WeakPolarHBondContact O-CB 3.43Å; Q439-H447 HydrophobicContact CG-CB 4.34Å; H445-H447 PolarHBondContact O-ND1 3.38Å; H447-D449 IonicContact CD2-OD1 2.8Å; H447-D449 PolarHBondContact CD2-OD1 3.41Å; H447-D449 VanDerWaalsContact CD2-OD1 3.23Å; H447-D449 IonicContact CD2-OD2 2.69Å; H447-D449 IonicContact NE2-OD1 2.81Å; H447-D449 IonicContact NE2-OD2 3.59Å
448	V	98.7	Very high	97.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126	164.7	179.2	0	0	0	0	107.1	T358 V362 V396 L398 V438 L450	T358-V448 HydrophobicContact CG2-CB 4.46Å; T358-V448 HydrophobicContact CG2-CG2 3.67Å; V362-V448 HydrophobicContact CG1-CG1 4.22Å; V362-V448 HydrophobicContact CG2-CB 4.31Å; V362-V448 HydrophobicContact CG2-CG2 4.33Å; V396-V448 HydrophobicContact CB-CG1 4.42Å; V396-V448 HydrophobicContact CB-CG2 4.12Å; V396-V448 HydrophobicContact CG1-CG1 4.15Å; V396-V448 HydrophobicContact CG1-CG2 4.38Å; V396-V448 CarbonylContact O-C 3.56Å; V396-V448 VanDerWaalsContact O-CA 3.25Å; V396-V448 WeakPolarHBondContact O-CA 3.28Å; L398-V448 HydrophobicContact CD1-CG1 3.91Å; L398-V448 HydrophobicContact CG-CG1 3.98Å; V438-V448 PolarHBondContact N-O 3.32Å; V438-V448 PolarHBondContact O-N 3Å; V448-L450 HydrophobicContact CG1-CD2 4.1Å
449	D	97.8	Very high	97.6	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	135.3	174.3	-74	-14.3	0	0	0	110.4	V396 L398 F435 Y436 R437 H447 W451	V396-D449 PolarHBondContact O-N 2.77Å; L398-D449 PolarHBondContact N-O 3.36Å; F435-D449 HydrophobicContact CD2-CB 4.13Å; F435-D449 HydrophobicContact CE2-CB 4.28Å; Y436-D449 CarbonylContact O-C 3.54Å; Y436-D449 WeakPolarHBondContact O-CA 3.3Å; R437-D449 WeakPolarHBondContact CB-OD1 3.49Å; R437-D449 VanDerWaalsContact CG-OD1 3.31Å; R437-D449 WeakPolarHBondContact CG-OD1 3.3Å; R437-D449 IonicContact CZ-OD1 3.48Å; R437-D449 IonicContact CZ-OD2 3.57Å; R437-D449 IonicContact NE-OD1 3.34Å; R437-D449 PolarHBondContact NE-OD1 3Å; R437-D449 IonicContact NE-OD2 2.76Å; R437-D449 IonicContact NH2-OD1 2.75Å; R437-D449 IonicContact NH2-OD2 3.52Å; R437-D449 PolarHBondContact NH2-OD2 3.13Å; H447-D449 IonicContact CD2-OD1 2.8Å; H447-D449 PolarHBondContact CD2-OD1 3.41Å; H447-D449 VanDerWaalsContact CD2-OD1 3.23Å; H447-D449 IonicContact CD2-OD2 2.69Å; H447-D449 IonicContact NE2-OD1 2.81Å; H447-D449 IonicContact NE2-OD2 3.59Å; D449-W451 HydrophobicContact CB-CZ2 4.37Å
450	L	97.9	Very high	97.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	112.1	179.2	-49.5	179	0	0	0	109.2	V362 L366 L398 I400 L411 W427 F435 Y436 V438 V448 P452	V362-L450 HydrophobicContact CG1-CD1 4.43Å; V362-L450 HydrophobicContact CG1-CD2 3.88Å; L366-L450 HydrophobicContact CD1-CD2 4.08Å; L366-L450 HydrophobicContact CD2-CD1 4.28Å; L398-L450 HydrophobicContact CB-CD2 3.76Å; L398-L450 HydrophobicContact CD1-CD2 3.74Å; L398-L450 HydrophobicContact CG-CD2 4.13Å; L398-L450 CarbonylContact O-C 3.45Å; L398-L450 WeakPolarHBondContact O-CA 3.44Å; I400-L450 HydrophobicContact CD1-CB 4.17Å; I400-L450 HydrophobicContact CG2-CB 4.47Å; L411-L450 HydrophobicContact CD1-CD1 4.3Å; L411-L450 HydrophobicContact CD2-CD1 3.96Å; W427-L450 HydrophobicContact CZ3-CD1 4.39Å; F435-L450 WeakPolarHBondContact CB-O 3.49Å; Y436-L450 PolarHBondContact N-O 3.35Å; Y436-L450 PolarHBondContact O-N 2.63Å; V438-L450 HydrophobicContact CG2-CD1 4.29Å; V448-L450 HydrophobicContact CG1-CD2 4.1Å; L450-P452 VanDerWaalsContact O-CD 3.26Å; L450-P452 WeakPolarHBondContact O-CD 3.39Å
451	W	96.8	Very high	97.5	Very high	28 Å²	28	39 Å²	39	11%	0.106	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	105.4	-175.6	-61	97.3	0	0	0	110.2	D397 L398 G399 I400 F435 D449 F453 T466	D397-W451 PolarHBondContact OD1-NE1 3.4Å; L398-W451 PolarHBondContact O-N 2.88Å; G399-W451 CarbonylContact C-O 3.45Å; G399-W451 WeakPolarHBondContact CA-O 3.14Å; I400-W451 PolarHBondContact N-O 3.11Å; F435-W451 HydrophobicContact CB-CD2 4.13Å; F435-W451 HydrophobicContact CB-CE3 3.63Å; F435-W451 HydrophobicContact CB-CH2 4.49Å; F435-W451 HydrophobicContact CB-CZ3 3.84Å; F435-W451 HydrophobicContact CD1-CE3 4.11Å; F435-W451 AromaticContact CD1-CH2 3.61Å; F435-W451 HydrophobicContact CD1-CH2 3.61Å; F435-W451 HydrophobicContact CD1-CZ2 4.47Å; F435-W451 AromaticContact CD1-CZ3 3.39Å; F435-W451 HydrophobicContact CD1-CZ3 3.39Å; F435-W451 HydrophobicContact CD2-CH2 4.43Å; F435-W451 AromaticContact CE1-CH2 3.83Å; F435-W451 HydrophobicContact CE1-CH2 3.83Å; F435-W451 HydrophobicContact CE1-CZ3 4.05Å; F435-W451 HydrophobicContact CG-CD2 4.49Å; F435-W451 HydrophobicContact CG-CE3 4Å; F435-W451 AromaticContact CG-CH2 3.95Å; F435-W451 HydrophobicContact CG-CH2 3.95Å; F435-W451 HydrophobicContact CG-CZ2 4.43Å; F435-W451 AromaticContact CG-CZ3 3.71Å; F435-W451 HydrophobicContact CG-CZ3 3.71Å; F435-W451 HydrophobicContact CZ-CH2 4.33Å; D449-W451 HydrophobicContact CB-CZ2 4.37Å; W451-F453 HydrophobicContact CB-CD2 4.4Å; W451-F453 HydrophobicContact CB-CE2 3.67Å; W451-F453 HydrophobicContact CB-CZ 4.41Å; W451-F453 WeakPolarHBondContact O-CD2 3.29Å; W451-F453 WeakPolarHBondContact O-CE2 3.44Å; W451-T466 HydrophobicContact CH2-CG2 3.88Å; W451-T466 HydrophobicContact CZ3-CG2 4.21Å
452	P	96.2	Very high	97.3	Very high	13 Å²	13	39.1 Å²	39.1	8%	0.084	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	129.4	179.1	29.8	-32.8	0	0	0	111.7	I400 L402 D434 Y436 L450	I400-P452 HydrophobicContact CD1-CB 4.38Å; I400-P452 HydrophobicContact CG1-CB 4.07Å; I400-P452 WeakPolarHBondContact O-CA 3.34Å; L402-P452 HydrophobicContact CB-CB 4.09Å; L402-P452 HydrophobicContact CD1-CB 3.89Å; D434-P452 WeakPolarHBondContact O-CD 3.4Å; D434-P452 WeakPolarHBondContact O-CG 3.46Å; Y436-P452 HydrophobicContact CE2-CG 4.49Å; L450-P452 VanDerWaalsContact O-CD 3.26Å; L450-P452 WeakPolarHBondContact O-CD 3.39Å
453	F	97.8	Very high	96.9	Very high	2 Å²	2	38 Å²	38	1%	0.009	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	152.4	173	-65.5	-98	0	0	0	111.2	W374 I400 L402 W451 M460 T461 K462 W465 F474	W374-F453 HydrophobicContact CH2-CB 4.15Å; W374-F453 AromaticContact CH2-CD2 3.9Å; W374-F453 HydrophobicContact CH2-CD2 3.9Å; W374-F453 HydrophobicContact CH2-CG 4.36Å; W374-F453 HydrophobicContact CZ2-CB 4.41Å; W374-F453 AromaticContact CZ2-CD2 3.51Å; W374-F453 HydrophobicContact CZ2-CD2 3.51Å; W374-F453 HydrophobicContact CZ2-CE2 4.03Å; W374-F453 HydrophobicContact CZ2-CG 4.15Å; I400-F453 PolarHBondContact O-N 3.03Å; L402-F453 WeakPolarHBondContact CB-O 3.47Å; L402-F453 PolarHBondContact N-O 3.43Å; W451-F453 HydrophobicContact CB-CD2 4.4Å; W451-F453 HydrophobicContact CB-CE2 3.67Å; W451-F453 HydrophobicContact CB-CZ 4.41Å; W451-F453 WeakPolarHBondContact O-CD2 3.29Å; W451-F453 WeakPolarHBondContact O-CE2 3.44Å; F453-M460 HydrophobicContact CB-CB 4.33Å; F453-M460 HydrophobicContact CB-CE 3.6Å; F453-M460 HydrophobicContact CD1-CB 4.37Å; F453-T461 WeakPolarHBondContact CA-O 3.3Å; F453-K462 HydrophobicContact CD1-CB 4.41Å; F453-K462 HydrophobicContact CD1-CG 4.42Å; F453-K462 HydrophobicContact CE1-CD 4.23Å; F453-K462 HydrophobicContact CE1-CG 4.18Å; F453-K462 HydrophobicContact CZ-CD 4.39Å; F453-W465 HydrophobicContact CE1-CH2 4.35Å; F453-W465 HydrophobicContact CE1-CZ3 4.39Å; F453-F474 HydrophobicContact CD1-CE1 4.01Å; F453-F474 AromaticContact CE1-CE1 3.85Å; F453-F474 HydrophobicContact CE1-CE1 3.85Å; F453-F474 HydrophobicContact CE2-CE1 4.48Å; F453-F474 HydrophobicContact CG-CE1 4.42Å; F453-F474 HydrophobicContact CZ-CE1 4.1Å
454	Y	97.6	Very high	96.4	Very high	59 Å²	59	38 Å²	38	23%	0.231	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	151	169.7	62.4	-91.4	0	0	0	110.7	L402 R456 T461 D463	L402-Y454 HydrophobicContact CD2-CD1 3.91Å; Y454-R456 HydrophobicContact CE2-CB 4.37Å; Y454-T461 HydrophobicContact CD2-CG2 3.86Å; Y454-T461 HydrophobicContact CE1-CG2 4.26Å; Y454-T461 HydrophobicContact CE2-CG2 3.41Å; Y454-T461 VanDerWaalsContact CE2-CG2 3.41Å; Y454-T461 HydrophobicContact CG-CG2 4.45Å; Y454-T461 PolarHBondContact N-O 3.31Å; Y454-T461 PolarHBondContact O-N 3.09Å; Y454-D463 WeakPolarHBondContact CE1-OD1 3.32Å; Y454-D463 PolarHBondContact OH-OD1 2.9Å
455	S	97.3	Very high	95.9	Very high	44 Å²	44	42.9 Å²	42.9	31%	0.308	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	128.8	177.1	-177.3	0	0	0	0	111	G458 E476	S455-G458 PolarHBondContact OG-N 2.82Å; S455-E476 VanDerWaalsContact CB-OE2 3.26Å; S455-E476 WeakPolarHBondContact CB-OE2 2.98Å; S455-E476 PolarHBondContact OG-OE2 2.98Å
456	R	97.2	Very high	95.3	Very high	122 Å²	122	41 Å²	41	46%	0.46	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	101.7	170.5	-177.1	174.3	62.3	-169.1	-3	108.3	Y454 G458 I459 T461 E473	Y454-R456 HydrophobicContact CE2-CB 4.37Å; R456-G458 VanDerWaalsContact C-N 3.33Å; R456-G458 PolarHBondContact O-N 2.57Å; R456-I459 PolarHBondContact N-O 2.69Å; R456-I459 PolarHBondContact O-N 2.89Å; R456-T461 HydrophobicContact CB-CG2 3.87Å; R456-E473 IonicContact CZ-OE1 3.62Å; R456-E473 IonicContact NH2-OE1 3.55Å; R456-E473 PolarHBondContact NH2-OE1 2.83Å
457	N	96.1	Very high	94.5	Very high	164 Å²	164	50.7 Å²	50.7	88%	0.877	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	40.4	-177.4	-55.8	-39.7	0	0	0	113.7	I459	N457-I459 VanDerWaalsContact C-N 3.31Å; N457-I459 PolarHBondContact O-N 2.79Å
458	G	96.1	Very high	93.8	Very high	34 Å²	34	53.5 Å²	53.5	35%	0.351	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	10.7	178.9	0	0	0	0	0	114.6	S455 R456 E476	S455-G458 PolarHBondContact OG-N 2.82Å; R456-G458 VanDerWaalsContact C-N 3.33Å; R456-G458 PolarHBondContact O-N 2.57Å; G458-E476 WeakPolarHBondContact O-CB 3.44Å; G458-E476 PolarHBondContact O-N 2.83Å
459	I	97.8	Very high	93.1	Very high	61 Å²	61	60.5 Å²	60.5	31%	0.313	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	125.6	170.9	-57.4	-59.9	0	0	0	108.2	R456 N457 E473 P475	R456-I459 PolarHBondContact N-O 2.69Å; R456-I459 PolarHBondContact O-N 2.89Å; N457-I459 VanDerWaalsContact C-N 3.31Å; N457-I459 PolarHBondContact O-N 2.79Å; I459-E473 HydrophobicContact CG2-CB 3.82Å; I459-E473 HydrophobicContact CG2-CG 4.37Å; I459-P475 HydrophobicContact CD1-CB 4.38Å; I459-P475 HydrophobicContact CD1-CG 4.33Å
460	M	98.3	Very high	92.5	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	125.1	172.3	-60	-59.6	-67.9	0	0	109.3	W374 Y401 F453 E473 F474 E476 L479	W374-M460 HydrophobicContact CH2-CE 4.14Å; Y401-M460 HydrophobicContact CD1-CE 4.04Å; Y401-M460 HydrophobicContact CE1-CE 3.7Å; Y401-M460 HydrophobicContact CE1-SD 4.2Å; F453-M460 HydrophobicContact CB-CB 4.33Å; F453-M460 HydrophobicContact CB-CE 3.6Å; F453-M460 HydrophobicContact CD1-CB 4.37Å; M460-E473 WeakPolarHBondContact O-CA 3.2Å; M460-F474 HydrophobicContact CB-CD1 4.23Å; M460-F474 HydrophobicContact CB-CD2 3.96Å; M460-F474 HydrophobicContact CB-CE1 3.86Å; M460-F474 HydrophobicContact CB-CE2 3.57Å; M460-F474 HydrophobicContact CB-CG 4.29Å; M460-F474 HydrophobicContact CB-CZ 3.52Å; M460-F474 HydrophobicContact CG-CD2 4.02Å; M460-F474 HydrophobicContact CG-CE2 3.45Å; M460-F474 VanDerWaalsContact CG-CE2 3.45Å; M460-F474 HydrophobicContact CG-CZ 3.78Å; M460-F474 PolarHBondContact N-O 2.94Å; M460-F474 PolarHBondContact O-N 2.7Å; M460-E476 HydrophobicContact CG-CB 3.99Å; M460-E476 HydrophobicContact CG-CG 4.3Å; M460-E476 HydrophobicContact SD-CB 3.93Å; M460-E476 HydrophobicContact SD-CG 3.7Å; M460-L479 HydrophobicContact CE-CD1 3.78Å; M460-L479 HydrophobicContact CG-CD1 3.86Å; M460-L479 HydrophobicContact SD-CD1 4.05Å
461	T	96.8	Very high	92.1	Very high	2 Å²	2	64 Å²	64	1%	0.012	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	166	-178.4	-177.8	0	0	0	0	110.8	F453 Y454 R456 E473	F453-T461 WeakPolarHBondContact CA-O 3.3Å; Y454-T461 HydrophobicContact CD2-CG2 3.86Å; Y454-T461 HydrophobicContact CE1-CG2 4.26Å; Y454-T461 HydrophobicContact CE2-CG2 3.41Å; Y454-T461 VanDerWaalsContact CE2-CG2 3.41Å; Y454-T461 HydrophobicContact CG-CG2 4.45Å; Y454-T461 PolarHBondContact N-O 3.31Å; Y454-T461 PolarHBondContact O-N 3.09Å; R456-T461 HydrophobicContact CB-CG2 3.87Å; T461-E473 WeakPolarHBondContact CB-OE1 3.33Å; T461-E473 PolarHBondContact OG1-OE1 3.22Å
462	K	93.4	Very high	92	Very high	11 Å²	11	65.3 Å²	65.3	5%	0.048	33%	0.327	C	S	.	.			trans	-137.5	171	168.2	56.4	173.9	-179.8	161.3	0	109.8	F453 T464 W465 D471	F453-K462 HydrophobicContact CD1-CB 4.41Å; F453-K462 HydrophobicContact CD1-CG 4.42Å; F453-K462 HydrophobicContact CE1-CD 4.23Å; F453-K462 HydrophobicContact CE1-CG 4.18Å; F453-K462 HydrophobicContact CZ-CD 4.39Å; K462-T464 WeakPolarHBondContact CD-O 3.4Å; K462-T464 WeakPolarHBondContact CE-O 3.4Å; K462-T464 VanDerWaalsContact CG-O 3.26Å; K462-T464 WeakPolarHBondContact CG-O 3.38Å; K462-T464 PolarHBondContact NZ-O 2.59Å; K462-W465 HydrophobicContact CD-CE3 4.35Å; K462-W465 HydrophobicContact CD-CZ3 4.35Å; K462-W465 HydrophobicContact CG-CD2 4.09Å; K462-W465 HydrophobicContact CG-CE3 4.1Å; K462-W465 HydrophobicContact CG-CH2 3.78Å; K462-W465 HydrophobicContact CG-CZ2 3.77Å; K462-W465 HydrophobicContact CG-CZ3 3.93Å; K462-W465 PolarHBondContact O-NE1 3.01Å; K462-D471 WeakPolarHBondContact CE-OD1 3.42Å; K462-D471 WeakPolarHBondContact CE-OD2 3.48Å; K462-D471 IonicContact NZ-OD1 3.96Å; K462-D471 PolarHBondContact NZ-OD1 3.37Å; K462-D471 IonicContact NZ-OD2 2.78Å; K462-D471 PolarHBondContact NZ-OD2 2.89Å
463	D	88	Confident	92	Very high	115 Å²	115	68.5 Å²	68.5	62%	0.615	34%	0.341	S	S	*	.	S	Bend	trans	-88.4	-18.4	-174.5	-62.7	-29.6	0	0	0	113.3	Y454	Y454-D463 WeakPolarHBondContact CE1-OD1 3.32Å; Y454-D463 PolarHBondContact OH-OD1 2.9Å
464	T	88.3	Confident	92	Very high	41 Å²	41	68.5 Å²	68.5	25%	0.252	34%	0.341	S	S	.	.			trans	-130	142.3	-176.2	53.5	0	0	0	0	110.6	G433 D434 K462	G433-T464 VanDerWaalsContact C-OG1 3.28Å; G433-T464 PolarHBondContact O-OG1 2.94Å; D434-T464 HydrophobicContact CB-CG2 4.28Å; D434-T464 WeakPolarHBondContact OD2-CG2 3.47Å; K462-T464 WeakPolarHBondContact CD-O 3.4Å; K462-T464 WeakPolarHBondContact CE-O 3.4Å; K462-T464 VanDerWaalsContact CG-O 3.26Å; K462-T464 WeakPolarHBondContact CG-O 3.38Å; K462-T464 PolarHBondContact NZ-O 2.59Å
465	W	88.1	Confident	92.1	Very high	103 Å²	103	67.3 Å²	67.3	39%	0.39	34%	0.34	S	S	.	.			trans	-133.3	145	-175.9	-58	90.6	0	0	0	110.1	F453 K462 E473	F453-W465 HydrophobicContact CE1-CH2 4.35Å; F453-W465 HydrophobicContact CE1-CZ3 4.39Å; K462-W465 HydrophobicContact CD-CE3 4.35Å; K462-W465 HydrophobicContact CD-CZ3 4.35Å; K462-W465 HydrophobicContact CG-CD2 4.09Å; K462-W465 HydrophobicContact CG-CE3 4.1Å; K462-W465 HydrophobicContact CG-CH2 3.78Å; K462-W465 HydrophobicContact CG-CZ2 3.77Å; K462-W465 HydrophobicContact CG-CZ3 3.93Å; K462-W465 PolarHBondContact O-NE1 3.01Å; W465-E473 HydrophobicContact CH2-CB 4.22Å; W465-E473 HydrophobicContact CH2-CG 3.56Å; W465-E473 VanDerWaalsContact CH2-N 3.28Å; W465-E473 HydrophobicContact CZ2-CG 3.52Å
466	T	83.9	Confident	92.1	Very high	48 Å²	48	66.7 Å²	66.7	29%	0.294	33%	0.333	S	S	.	.			trans	-86	169.7	173.8	64	0	0	0	0	110.6	W451 H468 D471	W451-T466 HydrophobicContact CH2-CG2 3.88Å; W451-T466 HydrophobicContact CZ3-CG2 4.21Å; T466-H468 PolarHBondContact O-N 2.98Å; T466-H468 PolarHBondContact OG1-CD2 3.5Å; T466-H468 PolarHBondContact OG1-N 2.93Å; T466-D471 WeakPolarHBondContact CB-OD2 3.48Å; T466-D471 PolarHBondContact N-OD2 3.5Å; T466-D471 WeakPolarHBondContact OG1-CB 3.41Å; T466-D471 PolarHBondContact OG1-OD2 3.15Å
467	E	82.6	Confident	92.1	Very high	204 Å²	204	65.7 Å²	65.7	95%	0.953	33%	0.333	S	S	*	.	S	Bend	trans	-76.8	-0.7	175.2	-60.5	-170.1	168.7	0	0	113.1
468	H	82.5	Confident	92.2	Very high	69 Å²	69	58.7 Å²	58.7	32%	0.319	29%	0.294	S	S	.	.			trans	-73	132.9	-179.5	-65.5	-62.8	0	0	0	112.1	D336 T466 Q470 D471	D336-H468 VanDerWaalsContact CG-CE1 3.41Å; D336-H468 IonicContact OD1-CE1 3.32Å; D336-H468 IonicContact OD1-NE2 2.86Å; D336-H468 IonicContact OD2-CE1 3.98Å; D336-H468 PolarHBondContact OD2-CE1 3.23Å; D336-H468 IonicContact OD2-ND1 3.23Å; T466-H468 PolarHBondContact O-N 2.98Å; T466-H468 PolarHBondContact OG1-CD2 3.5Å; T466-H468 PolarHBondContact OG1-N 2.93Å; H468-Q470 HydrophobicContact CB-CG 4.44Å; H468-Q470 PolarHBondContact O-N 3.34Å; H468-Q470 VanDerWaalsContact O-N 3.1Å; H468-D471 HydrophobicContact CB-CB 4.38Å; H468-D471 WeakPolarHBondContact O-CB 3.5Å; H468-D471 PolarHBondContact O-N 2.86Å
469	K	84.6	Confident	92.3	Very high	147 Å²	147	57.4 Å²	57.4	64%	0.639	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-34.1	-179.4	-176.9	-173.3	172.6	-161.1	0	113.6	D471 V472 F506	K469-D471 VanDerWaalsContact C-N 3.34Å; K469-V472 WeakPolarHBondContact O-CG1 3.45Å; K469-F506 PolarHBondContact NZ-O 2.75Å
470	Q	86.2	Confident	92.3	Very high	55 Å²	55	60.2 Å²	60.2	26%	0.257	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-11.7	-176.5	65.1	-86.8	16.7	0	0	114.5	H468 V472 K505 F506	H468-Q470 HydrophobicContact CB-CG 4.44Å; H468-Q470 PolarHBondContact O-N 3.34Å; H468-Q470 VanDerWaalsContact O-N 3.1Å; Q470-V472 VanDerWaalsContact C-N 3.35Å; Q470-V472 PolarHBondContact O-N 2.78Å; Q470-V472 VanDerWaalsContact O-N 3.09Å; Q470-K505 WeakPolarHBondContact CA-O 3.37Å; Q470-K505 HydrophobicContact CB-CB 4.09Å; Q470-K505 PolarHBondContact O-NZ 2.92Å; Q470-K505 VanDerWaalsContact O-NZ 3.16Å; Q470-F506 HydrophobicContact CB-CD1 3.9Å; Q470-F506 HydrophobicContact CB-CE1 3.56Å; Q470-F506 HydrophobicContact CB-CE2 4.2Å; Q470-F506 HydrophobicContact CB-CG 4.37Å; Q470-F506 HydrophobicContact CB-CZ 3.72Å; Q470-F506 HydrophobicContact CG-CD1 4.44Å; Q470-F506 HydrophobicContact CG-CE1 3.65Å; Q470-F506 HydrophobicContact CG-CZ 3.79Å
471	D	89.6	Confident	92.3	Very high	23 Å²	23	64.5 Å²	64.5	12%	0.123	32%	0.319	C	S	.	.			trans	-85.6	79.4	-179.6	-167.5	19.9	0	0	0	109.9	K462 T466 H468 K469	K462-D471 WeakPolarHBondContact CE-OD1 3.42Å; K462-D471 WeakPolarHBondContact CE-OD2 3.48Å; K462-D471 IonicContact NZ-OD1 3.96Å; K462-D471 PolarHBondContact NZ-OD1 3.37Å; K462-D471 IonicContact NZ-OD2 2.78Å; K462-D471 PolarHBondContact NZ-OD2 2.89Å; T466-D471 WeakPolarHBondContact CB-OD2 3.48Å; T466-D471 PolarHBondContact N-OD2 3.5Å; T466-D471 WeakPolarHBondContact OG1-CB 3.41Å; T466-D471 PolarHBondContact OG1-OD2 3.15Å; H468-D471 HydrophobicContact CB-CB 4.38Å; H468-D471 WeakPolarHBondContact O-CB 3.5Å; H468-D471 PolarHBondContact O-N 2.86Å; K469-D471 VanDerWaalsContact C-N 3.34Å
472	V	93.6	Very high	92.3	Very high	54 Å²	54	66.3 Å²	66.3	33%	0.327	33%	0.329	S	S	.	.			trans	-133.1	156.9	-175	-62.4	0	0	0	0	111.6	K469 Q470 K505	K469-V472 WeakPolarHBondContact O-CG1 3.45Å; Q470-V472 VanDerWaalsContact C-N 3.35Å; Q470-V472 PolarHBondContact O-N 2.78Å; Q470-V472 VanDerWaalsContact O-N 3.09Å; V472-K505 HydrophobicContact CG2-CG 4.04Å
473	E	96.7	Very high	92.6	Very high	80 Å²	80	67.7 Å²	67.7	37%	0.374	34%	0.338	S	S	.	.			trans	-57.9	152.1	167.4	-67	-175.7	151	0	0	110.9	R456 I459 M460 T461 W465	R456-E473 IonicContact CZ-OE1 3.62Å; R456-E473 IonicContact NH2-OE1 3.55Å; R456-E473 PolarHBondContact NH2-OE1 2.83Å; I459-E473 HydrophobicContact CG2-CB 3.82Å; I459-E473 HydrophobicContact CG2-CG 4.37Å; M460-E473 WeakPolarHBondContact O-CA 3.2Å; T461-E473 WeakPolarHBondContact CB-OE1 3.33Å; T461-E473 PolarHBondContact OG1-OE1 3.22Å; W465-E473 HydrophobicContact CH2-CB 4.22Å; W465-E473 HydrophobicContact CH2-CG 3.56Å; W465-E473 VanDerWaalsContact CH2-N 3.28Å; W465-E473 HydrophobicContact CZ2-CG 3.52Å
474	F	98.1	Very high	93	Very high	2 Å²	2	66.4 Å²	66.4	1%	0.009	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	154.3	177.3	61.4	-91.4	0	0	0	112.4	W374 F453 M460 E476 L479 F501 L504	W374-F474 HydrophobicContact CZ2-CE1 4.42Å; W374-F474 AromaticContact CZ2-CZ 3.69Å; W374-F474 HydrophobicContact CZ2-CZ 3.69Å; F453-F474 HydrophobicContact CD1-CE1 4.01Å; F453-F474 AromaticContact CE1-CE1 3.85Å; F453-F474 HydrophobicContact CE1-CE1 3.85Å; F453-F474 HydrophobicContact CE2-CE1 4.48Å; F453-F474 HydrophobicContact CG-CE1 4.42Å; F453-F474 HydrophobicContact CZ-CE1 4.1Å; M460-F474 HydrophobicContact CB-CD1 4.23Å; M460-F474 HydrophobicContact CB-CD2 3.96Å; M460-F474 HydrophobicContact CB-CE1 3.86Å; M460-F474 HydrophobicContact CB-CE2 3.57Å; M460-F474 HydrophobicContact CB-CG 4.29Å; M460-F474 HydrophobicContact CB-CZ 3.52Å; M460-F474 HydrophobicContact CG-CD2 4.02Å; M460-F474 HydrophobicContact CG-CE2 3.45Å; M460-F474 VanDerWaalsContact CG-CE2 3.45Å; M460-F474 HydrophobicContact CG-CZ 3.78Å; M460-F474 PolarHBondContact N-O 2.94Å; M460-F474 PolarHBondContact O-N 2.7Å; F474-E476 PolarHBondContact O-N 3.4Å; F474-L479 HydrophobicContact CE2-CD1 3.9Å; F474-L479 HydrophobicContact CE2-CD2 4.06Å; F474-L479 HydrophobicContact CE2-CG 3.94Å; F474-L479 HydrophobicContact CZ-CD1 4.2Å; F474-F501 HydrophobicContact CB-CE2 4.28Å; F474-F501 HydrophobicContact CD1-CE2 4.25Å; F474-F501 HydrophobicContact CD1-CZ 4.29Å; F474-F501 HydrophobicContact CD2-CD2 4.41Å; F474-F501 AromaticContact CD2-CE2 3.49Å; F474-F501 HydrophobicContact CD2-CE2 3.49Å; F474-F501 VanDerWaalsContact CD2-CE2 3.49Å; F474-F501 HydrophobicContact CD2-CZ 4.24Å; F474-F501 HydrophobicContact CE1-CE2 4.47Å; F474-F501 HydrophobicContact CE1-CZ 4.31Å; F474-F501 AromaticContact CE2-CE2 3.74Å; F474-F501 HydrophobicContact CE2-CE2 3.74Å; F474-F501 HydrophobicContact CE2-CZ 4.25Å; F474-F501 AromaticContact CG-CE2 3.75Å; F474-F501 HydrophobicContact CG-CE2 3.75Å; F474-F501 HydrophobicContact CG-CZ 4.24Å; F474-F501 HydrophobicContact CZ-CE2 4.23Å; F474-F501 HydrophobicContact CZ-CZ 4.28Å; F474-L504 HydrophobicContact CB-CD2 4.02Å
475	P	98.2	Very high	93.5	Very high	34 Å²	34	65 Å²	65	22%	0.221	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	133	177.2	-24.7	34.7	0	0	0	114.1	I459 H477 F478	I459-P475 HydrophobicContact CD1-CB 4.38Å; I459-P475 HydrophobicContact CD1-CG 4.33Å; P475-H477 WeakPolarHBondContact CB-CE1 3.44Å; P475-H477 WeakPolarHBondContact CB-ND1 3.26Å; P475-H477 PolarHBondContact O-N 3.15Å; P475-H477 VanDerWaalsContact O-N 3.17Å; P475-F478 HydrophobicContact CB-CD2 4.13Å; P475-F478 HydrophobicContact CB-CE2 4.35Å; P475-F478 HydrophobicContact CG-CD2 4.35Å; P475-F478 HydrophobicContact CG-CE2 4.14Å; P475-F478 WeakPolarHBondContact O-CD2 3.18Å; P475-F478 PolarHBondContact O-N 3.3Å
476	E	97.9	Very high	93.9	Very high	32 Å²	32	62.9 Å²	62.9	15%	0.15	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-62.8	-24.7	-178.7	-176.8	178.2	-167.9	0	0	113.4	S455 G458 M460 F474 F478 L479 Q480	S455-E476 VanDerWaalsContact CB-OE2 3.26Å; S455-E476 WeakPolarHBondContact CB-OE2 2.98Å; S455-E476 PolarHBondContact OG-OE2 2.98Å; G458-E476 WeakPolarHBondContact O-CB 3.44Å; G458-E476 PolarHBondContact O-N 2.83Å; M460-E476 HydrophobicContact CG-CB 3.99Å; M460-E476 HydrophobicContact CG-CG 4.3Å; M460-E476 HydrophobicContact SD-CB 3.93Å; M460-E476 HydrophobicContact SD-CG 3.7Å; F474-E476 PolarHBondContact O-N 3.4Å; E476-F478 PolarHBondContact O-N 3.01Å; E476-L479 WeakPolarHBondContact O-CB 3.49Å; E476-L479 PolarHBondContact O-N 2.7Å; E476-Q480 VanDerWaalsContact CD-NE2 3.27Å; E476-Q480 PolarHBondContact OE1-NE2 2.93Å
477	H	97.8	Very high	94.6	Very high	101 Å²	101	60.6 Å²	60.6	47%	0.468	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-58.4	-23.6	179.1	70.6	-106.1	0	0	0	113	P475 L479 Q480 N496	P475-H477 WeakPolarHBondContact CB-CE1 3.44Å; P475-H477 WeakPolarHBondContact CB-ND1 3.26Å; P475-H477 PolarHBondContact O-N 3.15Å; P475-H477 VanDerWaalsContact O-N 3.17Å; H477-L479 PolarHBondContact O-N 3.43Å; H477-Q480 PolarHBondContact O-N 3.37Å; H477-Q480 VanDerWaalsContact O-N 3.17Å; H477-N496 PolarHBondContact O-ND2 2.78Å
478	F	98.5	Very high	95.3	Very high	16 Å²	16	51.4 Å²	51.4	7%	0.07	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-63.3	-21.7	172.8	-76.6	-65	0	0	0	113.1	P475 E476 P495 N496 N497 A500 F501 L504	P475-F478 HydrophobicContact CB-CD2 4.13Å; P475-F478 HydrophobicContact CB-CE2 4.35Å; P475-F478 HydrophobicContact CG-CD2 4.35Å; P475-F478 HydrophobicContact CG-CE2 4.14Å; P475-F478 WeakPolarHBondContact O-CD2 3.18Å; P475-F478 PolarHBondContact O-N 3.3Å; E476-F478 PolarHBondContact O-N 3.01Å; F478-P495 HydrophobicContact CB-CB 4.13Å; F478-P495 CarbonylContact O-C 3.23Å; F478-P495 WeakPolarHBondContact O-CA 3.18Å; F478-P495 WeakPolarHBondContact O-CB 3.35Å; F478-N496 WeakPolarHBondContact CD1-O 3.44Å; F478-N496 PolarHBondContact O-N 3.11Å; F478-N496 PolarHBondContact O-ND2 3.19Å; F478-N496 VanDerWaalsContact O-ND2 3.12Å; F478-N497 HydrophobicContact CD1-CB 4.28Å; F478-N497 HydrophobicContact CE1-CB 4.01Å; F478-A500 HydrophobicContact CE1-CB 4.09Å; F478-A500 HydrophobicContact CZ-CB 4.25Å; F478-F501 HydrophobicContact CB-CD2 3.72Å; F478-F501 HydrophobicContact CB-CE2 4.13Å; F478-F501 HydrophobicContact CD1-CB 4.07Å; F478-F501 HydrophobicContact CD1-CD2 4.04Å; F478-F501 AromaticContact CD2-CD2 3.82Å; F478-F501 HydrophobicContact CD2-CD2 3.82Å; F478-F501 HydrophobicContact CD2-CE2 4.48Å; F478-F501 HydrophobicContact CE1-CB 4.07Å; F478-F501 HydrophobicContact CE2-CD2 4.4Å; F478-F501 HydrophobicContact CG-CB 4.49Å; F478-F501 AromaticContact CG-CD2 3.62Å; F478-F501 HydrophobicContact CG-CD2 3.62Å; F478-F501 HydrophobicContact CG-CE2 4.4Å; F478-L504 HydrophobicContact CE2-CD2 4.22Å
479	L	98.4	Very high	96	Very high	8 Å²	8	52 Å²	52	4%	0.042	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-97.6	-0.6	178.3	-50.3	-177.6	0	0	0	112.7	W374 Y401 M460 F474 E476 H477 P481 L482 P495	W374-L479 HydrophobicContact CD2-CD1 4.28Å; W374-L479 HydrophobicContact CD2-CD2 3.69Å; W374-L479 HydrophobicContact CE3-CD1 3.96Å; W374-L479 HydrophobicContact CE3-CD2 4Å; W374-L479 HydrophobicContact CG-CD2 3.92Å; W374-L479 HydrophobicContact CH2-CD1 3.77Å; W374-L479 HydrophobicContact CZ2-CD1 4.07Å; W374-L479 HydrophobicContact CZ3-CD1 3.71Å; Y401-L479 HydrophobicContact CE2-CB 4.47Å; Y401-L479 HydrophobicContact CE2-CD1 3.82Å; Y401-L479 WeakPolarHBondContact OH-CB 3.48Å; Y401-L479 WeakPolarHBondContact OH-CD1 3.32Å; M460-L479 HydrophobicContact CE-CD1 3.78Å; M460-L479 HydrophobicContact CG-CD1 3.86Å; M460-L479 HydrophobicContact SD-CD1 4.05Å; F474-L479 HydrophobicContact CE2-CD1 3.9Å; F474-L479 HydrophobicContact CE2-CD2 4.06Å; F474-L479 HydrophobicContact CE2-CG 3.94Å; F474-L479 HydrophobicContact CZ-CD1 4.2Å; E476-L479 WeakPolarHBondContact O-CB 3.49Å; E476-L479 PolarHBondContact O-N 2.7Å; H477-L479 PolarHBondContact O-N 3.43Å; L479-P481 VanDerWaalsContact C-C 3.43Å; L479-P481 CarbonylContact O-C 3.36Å; L479-P481 VanDerWaalsContact O-C 3.23Å; L479-L482 HydrophobicContact CB-CD2 4.24Å; L479-L482 HydrophobicContact CD2-CD2 3.88Å; L479-L482 PolarHBondContact O-N 2.97Å; L479-L482 VanDerWaalsContact O-N 3.08Å; L479-P495 HydrophobicContact CD2-CB 4.28Å; L479-P495 HydrophobicContact CD2-CG 4.24Å
480	Q	96.5	Very high	96.6	Very high	120 Å²	120	46.3 Å²	46.3	56%	0.561	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.2	85.5	-171.7	-62.1	-178.9	-1.1	0	0	111	E476 H477	E476-Q480 VanDerWaalsContact CD-NE2 3.27Å; E476-Q480 PolarHBondContact OE1-NE2 2.93Å; H477-Q480 PolarHBondContact O-N 3.37Å; H477-Q480 VanDerWaalsContact O-N 3.17Å
481	P	97.7	Very high	97.2	Very high	90 Å²	90	48.1 Å²	48.1	58%	0.584	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	cis	-89.6	162.8	2.7	36.7	-35.4	0	0	0	113	L479 N496	L479-P481 VanDerWaalsContact C-C 3.43Å; L479-P481 CarbonylContact O-C 3.36Å; L479-P481 VanDerWaalsContact O-C 3.23Å; P481-N496 WeakPolarHBondContact O-CB 3.34Å; P481-N496 PolarHBondContact O-ND2 2.91Å
482	L	98.3	Very high	97.6	Very high	39 Å²	39	47 Å²	47	20%	0.204	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	149.4	157.4	-68.7	172.7	0	0	0	110	Y373 W374 L479 Y493	Y373-L482 VanDerWaalsContact O-CD1 3.3Å; Y373-L482 WeakPolarHBondContact O-CD1 3.46Å; W374-L482 HydrophobicContact CB-CD2 3.74Å; W374-L482 HydrophobicContact CG-CD2 4.5Å; L479-L482 HydrophobicContact CB-CD2 4.24Å; L479-L482 HydrophobicContact CD2-CD2 3.88Å; L479-L482 PolarHBondContact O-N 2.97Å; L479-L482 VanDerWaalsContact O-N 3.08Å; L482-Y493 HydrophobicContact CB-CD1 4.13Å
483	V	98.1	Very high	97.8	Very high	40 Å²	40	48.9 Å²	48.9	24%	0.242	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137.1	-178.6	-62.4	0	0	0	0	111.3	Y493 G494 P495 N496 Q498	V483-Y493 WeakPolarHBondContact O-CA 3.41Å; V483-G494 WeakPolarHBondContact CG2-O 3.43Å; V483-G494 PolarHBondContact N-O 3.21Å; V483-G494 PolarHBondContact O-N 2.84Å; V483-P495 WeakPolarHBondContact CG2-O 3.41Å; V483-N496 HydrophobicContact CG1-CB 4.02Å; V483-Q498 HydrophobicContact CG2-CG 4.48Å; V483-Q498 VanDerWaalsContact CG2-NE2 3.29Å
484	P	98.1	Very high	97.9	Very high	88 Å²	88	45 Å²	45	57%	0.571	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	139.6	175.4	29.7	-34.2	0	0	0	110.4	T491 A492 Y493	P484-T491 HydrophobicContact CB-CG2 3.77Å; P484-A492 CarbonylContact C-O 3.6Å; P484-A492 WeakPolarHBondContact CA-O 3.25Å; P484-Y493 HydrophobicContact CB-CE1 4.28Å
485	M	97.3	Very high	97.9	Very high	11 Å²	11	45 Å²	45	5%	0.054	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	148.2	177.1	65.1	-170.5	-51.5	0	0	112.3	L375 L380 A383 V384 A492	L375-M485 HydrophobicContact CD1-CG 4.01Å; L375-M485 HydrophobicContact CD1-SD 3.87Å; L380-M485 HydrophobicContact CD1-CE 4.14Å; L380-M485 HydrophobicContact CD1-SD 3.78Å; A383-M485 HydrophobicContact CB-CE 3.55Å; A383-M485 HydrophobicContact CB-SD 4.25Å; V384-M485 HydrophobicContact CG2-CE 3.74Å; M485-A492 PolarHBondContact N-O 3.32Å; M485-A492 PolarHBondContact O-N 3.32Å
486	P	98.3	Very high	97.9	Very high	60 Å²	60	44.1 Å²	44.1	39%	0.39	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	129.7	176	29	-33.7	0	0	0	110.9	Q387 I490	Q387-P486 HydrophobicContact CB-CB 4.2Å; Q387-P486 HydrophobicContact CB-CG 4.13Å; Q387-P486 VanDerWaalsContact CD-CG 3.44Å; Q387-P486 HydrophobicContact CG-CB 4.34Å; Q387-P486 HydrophobicContact CG-CG 3.74Å; P486-I490 WeakPolarHBondContact CA-O 3.4Å
487	F	98.5	Very high	97.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	134.2	174	180	-115.9	0	0	0	110.3	T359 L375 S379 A383 Q387 D388 I389 V396 G489 I490 A492	T359-F487 HydrophobicContact CG2-CD1 4.19Å; T359-F487 HydrophobicContact CG2-CE1 3.91Å; L375-F487 HydrophobicContact CD1-CB 3.71Å; L375-F487 HydrophobicContact CD1-CD1 4.08Å; L375-F487 HydrophobicContact CD1-CD2 4.3Å; L375-F487 HydrophobicContact CD1-CG 3.79Å; L375-F487 HydrophobicContact CD2-CD1 3.52Å; L375-F487 HydrophobicContact CD2-CE1 3.77Å; L375-F487 HydrophobicContact CD2-CG 4.11Å; L375-F487 HydrophobicContact CG-CD1 4.48Å; S379-F487 WeakPolarHBondContact O-CE2 3.41Å; A383-F487 HydrophobicContact CB-CB 4.01Å; A383-F487 HydrophobicContact CB-CD2 3.57Å; A383-F487 HydrophobicContact CB-CE2 4.35Å; A383-F487 HydrophobicContact CB-CG 4.09Å; Q387-F487 WeakPolarHBondContact O-CA 3.49Å; D388-F487 VanDerWaalsContact C-CE2 3.5Å; I389-F487 HydrophobicContact CG1-CE2 4.22Å; I389-F487 HydrophobicContact CG1-CZ 3.82Å; V396-F487 HydrophobicContact CG1-CE1 4.13Å; V396-F487 HydrophobicContact CG1-CZ 4.48Å; V396-F487 HydrophobicContact CG2-CZ 4.43Å; F487-G489 PolarHBondContact O-N 2.96Å; F487-I490 PolarHBondContact N-O 2.95Å; F487-I490 WeakPolarHBondContact O-CG1 3.26Å; F487-I490 PolarHBondContact O-N 3.46Å; F487-I490 VanDerWaalsContact O-O 3.05Å; F487-A492 HydrophobicContact CB-CB 4.25Å
488	A	96.6	Very high	97.8	Very high	11 Å²	11	45.3 Å²	45.3	9%	0.091	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	55	27.7	173	0	0	0	0	0	114.5	R356 Q387	R356-A488 HydrophobicContact CB-CB 4.13Å; R356-A488 HydrophobicContact CG-CB 3.76Å; Q387-A488 PolarHBondContact O-N 3.43Å; Q387-A488 VanDerWaalsContact O-N 3.12Å
489	G	96.5	Very high	97.8	Very high	80 Å²	80	50 Å²	50	83%	0.825	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	11.4	-178.9	0	0	0	0	0	115.4	F487	F487-G489 PolarHBondContact O-N 2.96Å
490	I	97.9	Very high	97.8	Very high	28 Å²	28	51.9 Å²	51.9	14%	0.144	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	169.6	172.5	59.7	166.7	0	0	0	111	K360 I363 P486 F487	K360-I490 HydrophobicContact CB-CD1 4.15Å; K360-I490 HydrophobicContact CB-CG2 4.34Å; K360-I490 HydrophobicContact CD-CG2 3.7Å; K360-I490 HydrophobicContact CG-CD1 4.38Å; K360-I490 HydrophobicContact CG-CG2 3.9Å; I363-I490 HydrophobicContact CB-CD1 4.42Å; I363-I490 HydrophobicContact CD1-CD1 3.92Å; I363-I490 HydrophobicContact CG2-CD1 4.32Å; P486-I490 WeakPolarHBondContact CA-O 3.4Å; F487-I490 PolarHBondContact N-O 2.95Å; F487-I490 WeakPolarHBondContact O-CG1 3.26Å; F487-I490 PolarHBondContact O-N 3.46Å; F487-I490 VanDerWaalsContact O-O 3.05Å
491	T	98.3	Very high	97.8	Very high	94 Å²	94	46.2 Å²	46.2	58%	0.577	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	121.8	164.4	-56	0	0	0	0	108	P484	P484-T491 HydrophobicContact CB-CG2 3.77Å
492	A	98.3	Very high	97.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	174.8	172.7	0	0	0	0	0	109.9	I363 Y373 L375 P484 M485 F487	I363-A492 HydrophobicContact CD1-CB 3.88Å; Y373-A492 HydrophobicContact CE2-CB 4.44Å; Y373-A492 WeakPolarHBondContact OH-CA 3.34Å; L375-A492 HydrophobicContact CD1-CB 4.12Å; L375-A492 HydrophobicContact CD2-CB 4.09Å; L375-A492 HydrophobicContact CG-CB 4.11Å; P484-A492 CarbonylContact C-O 3.6Å; P484-A492 WeakPolarHBondContact CA-O 3.25Å; M485-A492 PolarHBondContact N-O 3.32Å; M485-A492 PolarHBondContact O-N 3.32Å; F487-A492 HydrophobicContact CB-CB 4.25Å
493	Y	98.6	Very high	97.8	Very high	92 Å²	92	42.6 Å²	42.6	36%	0.361	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	141.7	172.5	-70.5	-81.4	0	0	0	111.8	Y373 W374 L375 L482 V483 P484	Y373-Y493 AromaticContact CE1-CD2 3.93Å; Y373-Y493 HydrophobicContact CE1-CD2 3.93Å; Y373-Y493 AromaticContact CZ-CD2 3.85Å; Y373-Y493 PolarHBondContact OH-N 2.95Å; W374-Y493 CarbonylContact C-O 3.49Å; W374-Y493 VanDerWaalsContact CA-O 3.29Å; W374-Y493 WeakPolarHBondContact CA-O 3.47Å; L375-Y493 PolarHBondContact N-O 3.01Å; L482-Y493 HydrophobicContact CB-CD1 4.13Å; V483-Y493 WeakPolarHBondContact O-CA 3.41Å; P484-Y493 HydrophobicContact CB-CE1 4.28Å
494	G	98.2	Very high	97.7	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	170.3	170.9	0	0	0	0	0	111.7	V483	V483-G494 WeakPolarHBondContact CG2-O 3.43Å; V483-G494 PolarHBondContact N-O 3.21Å; V483-G494 PolarHBondContact O-N 2.84Å
495	P	98.5	Very high	97.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	147.8	172.6	-18.9	32.1	0	0	0	111.3	W374 L380 F478 L479 V483 Q498 F501	W374-P495 HydrophobicContact CB-CG 4.49Å; W374-P495 HydrophobicContact CG-CG 4.37Å; L380-P495 HydrophobicContact CD2-CG 4.01Å; F478-P495 HydrophobicContact CB-CB 4.13Å; F478-P495 CarbonylContact O-C 3.23Å; F478-P495 WeakPolarHBondContact O-CA 3.18Å; F478-P495 WeakPolarHBondContact O-CB 3.35Å; L479-P495 HydrophobicContact CD2-CB 4.28Å; L479-P495 HydrophobicContact CD2-CG 4.24Å; V483-P495 WeakPolarHBondContact CG2-O 3.41Å; P495-Q498 WeakPolarHBondContact O-CG 3.11Å; P495-F501 HydrophobicContact CB-CB 4.4Å; P495-F501 HydrophobicContact CB-CD1 4.42Å; P495-F501 HydrophobicContact CB-CD2 3.79Å; P495-F501 HydrophobicContact CB-CE2 4.05Å; P495-F501 HydrophobicContact CB-CG 3.96Å; P495-F501 HydrophobicContact CB-CZ 4.48Å; P495-F501 HydrophobicContact CG-CD1 3.92Å; P495-F501 HydrophobicContact CG-CD2 3.92Å; P495-F501 HydrophobicContact CG-CE1 3.81Å; P495-F501 HydrophobicContact CG-CE2 3.8Å; P495-F501 HydrophobicContact CG-CG 3.96Å; P495-F501 HydrophobicContact CG-CZ 3.74Å
496	N	98.1	Very high	97.5	Very high	17 Å²	17	42.8 Å²	42.8	9%	0.091	24%	0.242	C	C	.	.	S	Bend	trans	-63.6	164.2	165.9	66.1	63.6	0	0	0	110.6	H477 F478 P481 V483 Q498	H477-N496 PolarHBondContact O-ND2 2.78Å; F478-N496 WeakPolarHBondContact CD1-O 3.44Å; F478-N496 PolarHBondContact O-N 3.11Å; F478-N496 PolarHBondContact O-ND2 3.19Å; F478-N496 VanDerWaalsContact O-ND2 3.12Å; P481-N496 WeakPolarHBondContact O-CB 3.34Å; P481-N496 PolarHBondContact O-ND2 2.91Å; V483-N496 HydrophobicContact CG1-CB 4.02Å; N496-Q498 PolarHBondContact O-N 3.21Å; N496-Q498 VanDerWaalsContact O-N 3.16Å
497	N	97.4	Very high	97.3	Very high	109 Å²	109	41.1 Å²	41.1	58%	0.583	24%	0.235	S	C	*	.	S	Bend	trans	48.9	45.6	-179.5	-62.2	-41.1	0	0	0	113.1	F478 R499 A500 F501	F478-N497 HydrophobicContact CD1-CB 4.28Å; F478-N497 HydrophobicContact CE1-CB 4.01Å; N497-R499 PolarHBondContact O-N 2.94Å; N497-A500 HydrophobicContact CB-CB 4.43Å; N497-A500 PolarHBondContact O-N 3.11Å; N497-F501 PolarHBondContact O-N 3.16Å; N497-F501 VanDerWaalsContact O-N 3.11Å
498	Q	96.6	Very high	97.2	Very high	49 Å²	49	49.8 Å²	49.8	23%	0.229	28%	0.276	C	S	.	.	H	α-helix	trans	-48.4	-38.7	-170.5	-60.2	156.3	-9.4	0	0	113.8	V384 V483 P495 N496 F501 L502	V384-Q498 HydrophobicContact CG2-CB 3.84Å; V384-Q498 HydrophobicContact CG2-CG 4.4Å; V483-Q498 HydrophobicContact CG2-CG 4.48Å; V483-Q498 VanDerWaalsContact CG2-NE2 3.29Å; P495-Q498 WeakPolarHBondContact O-CG 3.11Å; N496-Q498 PolarHBondContact O-N 3.21Å; N496-Q498 VanDerWaalsContact O-N 3.16Å; Q498-F501 PolarHBondContact O-N 3.1Å; Q498-L502 WeakPolarHBondContact O-CB 3.39Å; Q498-L502 VanDerWaalsContact O-CG 3.3Å; Q498-L502 WeakPolarHBondContact O-CG 3.45Å; Q498-L502 PolarHBondContact O-N 3.49Å
499	R	97.3	Very high	97.1	Very high	113 Å²	113	49.9 Å²	49.9	43%	0.426	28%	0.278	S	S	.	.	H	α-helix	trans	-58.8	-53.2	175.1	175.1	177	-65.5	-78.8	-0.6	111.7	N497 F501 L502 E503 I511 E512	N497-R499 PolarHBondContact O-N 2.94Å; R499-F501 VanDerWaalsContact C-N 3.29Å; R499-F501 PolarHBondContact O-N 3.17Å; R499-L502 PolarHBondContact O-N 3.45Å; R499-E503 VanDerWaalsContact CG-CD 3.48Å; R499-E503 HydrophobicContact CG-CG 4.21Å; R499-E503 VanDerWaalsContact CG-OE1 3.25Å; R499-E503 WeakPolarHBondContact CG-OE1 3.48Å; R499-E503 IonicContact NH1-OE1 3.21Å; R499-E503 PolarHBondContact NH1-OE1 3.47Å; R499-E503 WeakPolarHBondContact O-CB 3.34Å; R499-E503 VanDerWaalsContact O-CG 3.28Å; R499-E503 WeakPolarHBondContact O-CG 3.23Å; R499-E503 PolarHBondContact O-N 2.94Å; R499-I511 HydrophobicContact CB-CD1 4.06Å; R499-I511 HydrophobicContact CG-CD1 4.12Å; R499-E512 IonicContact CZ-OE1 2.75Å; R499-E512 VanDerWaalsContact CZ-OE1 3.25Å; R499-E512 IonicContact NH1-OE1 3.8Å; R499-E512 PolarHBondContact NH1-OE1 3.43Å; R499-E512 IonicContact NH1-OE2 2.98Å; R499-E512 PolarHBondContact NH1-OE2 3.44Å; R499-E512 IonicContact NH2-OE1 2.95Å; R499-E512 PolarHBondContact NH2-OE1 2.97Å
500	A	97.9	Very high	97.1	Very high	49 Å²	49	47 Å²	47	41%	0.405	25%	0.245	S	C	.	.	H	α-helix	trans	-63.6	-38.1	-179.1	0	0	0	0	0	111.3	F478 N497 L504	F478-A500 HydrophobicContact CE1-CB 4.09Å; F478-A500 HydrophobicContact CZ-CB 4.25Å; N497-A500 HydrophobicContact CB-CB 4.43Å; N497-A500 PolarHBondContact O-N 3.11Å; A500-L504 VanDerWaalsContact O-CB 3.3Å; A500-L504 WeakPolarHBondContact O-CB 3.33Å; A500-L504 PolarHBondContact O-N 2.98Å
501	F	98.2	Very high	96.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-46.6	174.6	-172.6	-87.5	0	0	0	112.3	L380 F474 F478 P495 N497 Q498 R499 L504 K505	L380-F501 HydrophobicContact CD2-CD1 3.41Å; L380-F501 VanDerWaalsContact CD2-CD1 3.41Å; L380-F501 HydrophobicContact CD2-CE1 3.68Å; L380-F501 HydrophobicContact CD2-CG 4.42Å; F474-F501 HydrophobicContact CB-CE2 4.28Å; F474-F501 HydrophobicContact CD1-CE2 4.25Å; F474-F501 HydrophobicContact CD1-CZ 4.29Å; F474-F501 HydrophobicContact CD2-CD2 4.41Å; F474-F501 AromaticContact CD2-CE2 3.49Å; F474-F501 HydrophobicContact CD2-CE2 3.49Å; F474-F501 VanDerWaalsContact CD2-CE2 3.49Å; F474-F501 HydrophobicContact CD2-CZ 4.24Å; F474-F501 HydrophobicContact CE1-CE2 4.47Å; F474-F501 HydrophobicContact CE1-CZ 4.31Å; F474-F501 AromaticContact CE2-CE2 3.74Å; F474-F501 HydrophobicContact CE2-CE2 3.74Å; F474-F501 HydrophobicContact CE2-CZ 4.25Å; F474-F501 AromaticContact CG-CE2 3.75Å; F474-F501 HydrophobicContact CG-CE2 3.75Å; F474-F501 HydrophobicContact CG-CZ 4.24Å; F474-F501 HydrophobicContact CZ-CE2 4.23Å; F474-F501 HydrophobicContact CZ-CZ 4.28Å; F478-F501 HydrophobicContact CB-CD2 3.72Å; F478-F501 HydrophobicContact CB-CE2 4.13Å; F478-F501 HydrophobicContact CD1-CB 4.07Å; F478-F501 HydrophobicContact CD1-CD2 4.04Å; F478-F501 AromaticContact CD2-CD2 3.82Å; F478-F501 HydrophobicContact CD2-CD2 3.82Å; F478-F501 HydrophobicContact CD2-CE2 4.48Å; F478-F501 HydrophobicContact CE1-CB 4.07Å; F478-F501 HydrophobicContact CE2-CD2 4.4Å; F478-F501 HydrophobicContact CG-CB 4.49Å; F478-F501 AromaticContact CG-CD2 3.62Å; F478-F501 HydrophobicContact CG-CD2 3.62Å; F478-F501 HydrophobicContact CG-CE2 4.4Å; P495-F501 HydrophobicContact CB-CB 4.4Å; P495-F501 HydrophobicContact CB-CD1 4.42Å; P495-F501 HydrophobicContact CB-CD2 3.79Å; P495-F501 HydrophobicContact CB-CE2 4.05Å; P495-F501 HydrophobicContact CB-CG 3.96Å; P495-F501 HydrophobicContact CB-CZ 4.48Å; P495-F501 HydrophobicContact CG-CD1 3.92Å; P495-F501 HydrophobicContact CG-CD2 3.92Å; P495-F501 HydrophobicContact CG-CE1 3.81Å; P495-F501 HydrophobicContact CG-CE2 3.8Å; P495-F501 HydrophobicContact CG-CG 3.96Å; P495-F501 HydrophobicContact CG-CZ 3.74Å; N497-F501 PolarHBondContact O-N 3.16Å; N497-F501 VanDerWaalsContact O-N 3.11Å; Q498-F501 PolarHBondContact O-N 3.1Å; R499-F501 VanDerWaalsContact C-N 3.29Å; R499-F501 PolarHBondContact O-N 3.17Å; F501-L504 WeakPolarHBondContact O-CB 3.14Å; F501-L504 PolarHBondContact O-N 2.98Å; F501-K505 HydrophobicContact CD1-CD 4.06Å; F501-K505 HydrophobicContact CE1-CD 3.52Å; F501-K505 HydrophobicContact CZ-CD 4.01Å; F501-K505 PolarHBondContact O-N 3.35Å
502	L	98	Very high	96.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-67.6	-41.1	178.1	-75.5	170.9	0	0	0	112.2	L380 L381 V384 Q498 R499 L504 K505 F506 V510 I511	L380-L502 HydrophobicContact CB-CD2 4.21Å; L380-L502 HydrophobicContact CD2-CD2 3.88Å; L380-L502 HydrophobicContact CD2-CG 4.04Å; L380-L502 HydrophobicContact CG-CD1 4.33Å; L380-L502 HydrophobicContact CG-CD2 3.9Å; L380-L502 HydrophobicContact CG-CG 4.14Å; L381-L502 HydrophobicContact CB-CD2 3.95Å; L381-L502 HydrophobicContact CD1-CD1 4.09Å; L381-L502 HydrophobicContact CD1-CD2 4.41Å; V384-L502 HydrophobicContact CB-CD1 4.02Å; V384-L502 HydrophobicContact CG1-CD1 4.37Å; V384-L502 HydrophobicContact CG2-CD1 3.75Å; Q498-L502 WeakPolarHBondContact O-CB 3.39Å; Q498-L502 VanDerWaalsContact O-CG 3.3Å; Q498-L502 WeakPolarHBondContact O-CG 3.45Å; Q498-L502 PolarHBondContact O-N 3.49Å; R499-L502 PolarHBondContact O-N 3.45Å; L502-L504 VanDerWaalsContact C-N 3.32Å; L502-K505 PolarHBondContact O-N 3.26Å; L502-F506 HydrophobicContact CD2-CD2 3.94Å; L502-F506 HydrophobicContact CD2-CE2 3.79Å; L502-F506 WeakPolarHBondContact O-CB 3.38Å; L502-F506 WeakPolarHBondContact O-CD2 3.32Å; L502-F506 PolarHBondContact O-N 3.4Å; L502-V510 HydrophobicContact CB-CG1 4.04Å; L502-I511 HydrophobicContact CD1-CD1 4.05Å; L502-I511 HydrophobicContact CD1-CG1 3.93Å
503	E	97.4	Very high	96.5	Very high	53 Å²	53	51.3 Å²	51.3	25%	0.248	26%	0.261	C	S	.	.	H	α-helix	trans	-69.2	-31.5	178.9	-70.8	174.8	176.1	0	0	111.9	R499 G507	R499-E503 VanDerWaalsContact CG-CD 3.48Å; R499-E503 HydrophobicContact CG-CG 4.21Å; R499-E503 VanDerWaalsContact CG-OE1 3.25Å; R499-E503 WeakPolarHBondContact CG-OE1 3.48Å; R499-E503 IonicContact NH1-OE1 3.21Å; R499-E503 PolarHBondContact NH1-OE1 3.47Å; R499-E503 WeakPolarHBondContact O-CB 3.34Å; R499-E503 VanDerWaalsContact O-CG 3.28Å; R499-E503 WeakPolarHBondContact O-CG 3.23Å; R499-E503 PolarHBondContact O-N 2.94Å; E503-G507 CarbonylContact O-C 3.48Å; E503-G507 WeakPolarHBondContact O-CA 3.08Å; E503-G507 PolarHBondContact O-N 3.32Å
504	L	96.8	Very high	96.1	Very high	92 Å²	92	50.2 Å²	50.2	48%	0.482	27%	0.265	S	S	.	.	H	α-helix	trans	-59.9	-45.8	169.4	174.9	66.5	0	0	0	111.5	F474 F478 A500 F501 L502	F474-L504 HydrophobicContact CB-CD2 4.02Å; F478-L504 HydrophobicContact CE2-CD2 4.22Å; A500-L504 VanDerWaalsContact O-CB 3.3Å; A500-L504 WeakPolarHBondContact O-CB 3.33Å; A500-L504 PolarHBondContact O-N 2.98Å; F501-L504 WeakPolarHBondContact O-CB 3.14Å; F501-L504 PolarHBondContact O-N 2.98Å; L502-L504 VanDerWaalsContact C-N 3.32Å
505	K	95.6	Very high	95.5	Very high	5 Å²	5	56.8 Å²	56.8	2%	0.022	30%	0.296	C	S	.	.	H	α-helix	trans	-80.5	-44.8	-174.8	-75.7	179.5	168.6	-90	0	113.6	E376 Q470 V472 F501 L502	E376-K505 WeakPolarHBondContact OE1-CD 3.39Å; E376-K505 WeakPolarHBondContact OE1-CE 3.35Å; E376-K505 IonicContact OE1-NZ 2.87Å; E376-K505 PolarHBondContact OE1-NZ 3.01Å; E376-K505 IonicContact OE2-NZ 3.75Å; Q470-K505 WeakPolarHBondContact CA-O 3.37Å; Q470-K505 HydrophobicContact CB-CB 4.09Å; Q470-K505 PolarHBondContact O-NZ 2.92Å; Q470-K505 VanDerWaalsContact O-NZ 3.16Å; V472-K505 HydrophobicContact CG2-CG 4.04Å; F501-K505 HydrophobicContact CD1-CD 4.06Å; F501-K505 HydrophobicContact CE1-CD 3.52Å; F501-K505 HydrophobicContact CZ-CD 4.01Å; F501-K505 PolarHBondContact O-N 3.35Å; L502-K505 PolarHBondContact O-N 3.26Å
506	F	94.1	Very high	94.8	Very high	46 Å²	46	59.4 Å²	59.4	20%	0.202	31%	0.306	C	S	.	.	H	α-helix	trans	-103	-26.4	-172.4	-66.3	-81.8	0	0	0	113.4	K469 Q470 L502 V510	K469-F506 PolarHBondContact NZ-O 2.75Å; Q470-F506 HydrophobicContact CB-CD1 3.9Å; Q470-F506 HydrophobicContact CB-CE1 3.56Å; Q470-F506 HydrophobicContact CB-CE2 4.2Å; Q470-F506 HydrophobicContact CB-CG 4.37Å; Q470-F506 HydrophobicContact CB-CZ 3.72Å; Q470-F506 HydrophobicContact CG-CD1 4.44Å; Q470-F506 HydrophobicContact CG-CE1 3.65Å; Q470-F506 HydrophobicContact CG-CZ 3.79Å; L502-F506 HydrophobicContact CD2-CD2 3.94Å; L502-F506 HydrophobicContact CD2-CE2 3.79Å; L502-F506 WeakPolarHBondContact O-CB 3.38Å; L502-F506 WeakPolarHBondContact O-CD2 3.32Å; L502-F506 PolarHBondContact O-N 3.4Å; F506-V510 HydrophobicContact CB-CB 3.75Å; F506-V510 HydrophobicContact CB-CG1 3.95Å; F506-V510 HydrophobicContact CB-CG2 3.46Å; F506-V510 VanDerWaalsContact CB-CG2 3.46Å; F506-V510 HydrophobicContact CD1-CG2 4.44Å; F506-V510 HydrophobicContact CD2-CG2 4.44Å; F506-V510 HydrophobicContact CG-CG2 3.9Å
507	G	95.3	Very high	93.8	Very high	25 Å²	25	61.4 Å²	61.4	26%	0.258	32%	0.32	S	S	.	.			trans	110.2	162.1	-171.8	0	0	0	0	0	112.9	E503 V510	E503-G507 CarbonylContact O-C 3.48Å; E503-G507 WeakPolarHBondContact O-CA 3.08Å; E503-G507 PolarHBondContact O-N 3.32Å; G507-V510 WeakPolarHBondContact O-CB 3.29Å; G507-V510 PolarHBondContact O-N 2.99Å
508	E	96	Very high	92.7	Very high	182 Å²	182	58.2 Å²	58.2	85%	0.85	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	138.1	-177.7	-167	177.9	174.4	0	0	112.5	V510	E508-V510 VanDerWaalsContact C-N 3.29Å; E508-V510 PolarHBondContact O-N 3.23Å
509	G	94.8	Very high	91.4	Very high	13 Å²	13	58.5 Å²	58.5	13%	0.134	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	13.4	176.4	0	0	0	0	0	115.3	I511 E512 N513	G509-I511 PolarHBondContact O-N 3.47Å; G509-E512 PolarHBondContact O-N 2.98Å; G509-N513 WeakPolarHBondContact O-CB 3.43Å; G509-N513 PolarHBondContact O-N 2.97Å; G509-N513 PolarHBondContact O-ND2 3.29Å
510	V	95.2	Very high	89.9	Confident	21 Å²	21	59.5 Å²	59.5	13%	0.127	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-34.2	178.8	65.1	0	0	0	0	112.6	L381 R385 L502 F506 G507 E508 E512	L381-V510 HydrophobicContact CD1-CG1 4.13Å; L381-V510 HydrophobicContact CD1-CG2 3.99Å; L381-V510 HydrophobicContact CD2-CG2 3.74Å; R385-V510 PolarHBondContact NH2-O 2.61Å; L502-V510 HydrophobicContact CB-CG1 4.04Å; F506-V510 HydrophobicContact CB-CB 3.75Å; F506-V510 HydrophobicContact CB-CG1 3.95Å; F506-V510 HydrophobicContact CB-CG2 3.46Å; F506-V510 VanDerWaalsContact CB-CG2 3.46Å; F506-V510 HydrophobicContact CD1-CG2 4.44Å; F506-V510 HydrophobicContact CD2-CG2 4.44Å; F506-V510 HydrophobicContact CG-CG2 3.9Å; G507-V510 WeakPolarHBondContact O-CB 3.29Å; G507-V510 PolarHBondContact O-N 2.99Å; E508-V510 VanDerWaalsContact C-N 3.29Å; E508-V510 PolarHBondContact O-N 3.23Å; V510-E512 PolarHBondContact O-N 3.48Å
511	I	94.3	Very high	88.4	Confident	16 Å²	16	60.2 Å²	60.2	8%	0.082	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-44.6	-177.7	-65.2	163.6	0	0	0	109.7	L381 V384 R385 R499 L502 G509	L381-I511 HydrophobicContact CD1-CG1 4.08Å; V384-I511 HydrophobicContact CG1-CD1 3.72Å; V384-I511 HydrophobicContact CG1-CG1 4.07Å; V384-I511 HydrophobicContact CG1-CG2 4.05Å; R385-I511 PolarHBondContact NE-O 3.34Å; R499-I511 HydrophobicContact CB-CD1 4.06Å; R499-I511 HydrophobicContact CG-CD1 4.12Å; L502-I511 HydrophobicContact CD1-CD1 4.05Å; L502-I511 HydrophobicContact CD1-CG1 3.93Å; G509-I511 PolarHBondContact O-N 3.47Å
512	E	95.9	Very high	86.4	Confident	96 Å²	96	63.3 Å²	63.3	45%	0.449	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-23.9	-175.5	-63.5	71.6	-154.1	0	0	113.2	R499 G509 V510 P514	R499-E512 IonicContact CZ-OE1 2.75Å; R499-E512 VanDerWaalsContact CZ-OE1 3.25Å; R499-E512 IonicContact NH1-OE1 3.8Å; R499-E512 PolarHBondContact NH1-OE1 3.43Å; R499-E512 IonicContact NH1-OE2 2.98Å; R499-E512 PolarHBondContact NH1-OE2 3.44Å; R499-E512 IonicContact NH2-OE1 2.95Å; R499-E512 PolarHBondContact NH2-OE1 2.97Å; G509-E512 PolarHBondContact O-N 2.98Å; V510-E512 PolarHBondContact O-N 3.48Å; E512-P514 WeakPolarHBondContact O-CD 3.35Å
513	N	93.3	Very high	84.2	Confident	100 Å²	100	72.8 Å²	72.8	54%	0.535	36%	0.363	S	S	.	.	S	Bend	trans	-116.3	79.9	-172.9	-60.8	-75.1	0	0	0	112	G509 Q515	G509-N513 WeakPolarHBondContact O-CB 3.43Å; G509-N513 PolarHBondContact O-N 2.97Å; G509-N513 PolarHBondContact O-ND2 3.29Å; N513-Q515 PolarHBondContact O-N 3.29Å
514	P	88.8	Confident	81.6	Confident	68 Å²	68	76.4 Å²	76.4	44%	0.442	38%	0.384	S	S	.	.			trans	-64.6	135.3	-179.8	25.2	-33.2	0	0	0	112.5	W392 E512	W392-P514 HydrophobicContact CH2-CB 3.72Å; W392-P514 HydrophobicContact CZ2-CB 3.84Å; E512-P514 WeakPolarHBondContact O-CD 3.35Å
515	Q	86.6	Confident	79.1	Confident	138 Å²	138	76.4 Å²	76.4	65%	0.645	38%	0.384	S	S	*	.			trans	-126.4	153	174.8	-59.9	-171.1	14.6	0	0	110.7	W392 N513 P519	W392-Q515 PolarHBondContact NE1-O 3.01Å; N513-Q515 PolarHBondContact O-N 3.29Å; Q515-P519 HydrophobicContact CB-CG 4.34Å
516	Y	84.1	Confident	76.8	Confident	55 Å²	55	85.2 Å²	85.2	22%	0.216	42%	0.417	C	S	.	.			trans	-74.8	157.1	167.9	-66.9	-58.1	0	0	0	110.1	K205 L341 W346 W392 N518 P519 K522	K205-Y516 PolarHBondContact NZ-OH 3.49Å; L341-Y516 HydrophobicContact CD2-CD1 4.11Å; L341-Y516 HydrophobicContact CD2-CE1 4.31Å; W346-Y516 AromaticContact NE1-CE1 3.5Å; W346-Y516 AromaticContact NE1-CZ 3.78Å; W346-Y516 PolarHBondContact NE1-OH 3.3Å; W346-Y516 VanDerWaalsContact NE1-OH 3.17Å; W392-Y516 HydrophobicContact CB-CD1 4.24Å; W392-Y516 HydrophobicContact CB-CE1 4.14Å; W392-Y516 AromaticContact CD1-CD1 3.74Å; W392-Y516 AromaticContact CD2-CD1 3.85Å; W392-Y516 HydrophobicContact CD2-CD1 3.85Å; W392-Y516 AromaticContact CD2-CE1 3.67Å; W392-Y516 HydrophobicContact CD2-CE1 3.67Å; W392-Y516 AromaticContact CE2-CD1 3.97Å; W392-Y516 AromaticContact CE3-CE1 4Å; W392-Y516 HydrophobicContact CE3-CE1 4Å; W392-Y516 AromaticContact CG-CD1 3.67Å; W392-Y516 HydrophobicContact CG-CD1 3.67Å; W392-Y516 AromaticContact CG-CE1 3.77Å; W392-Y516 HydrophobicContact CG-CE1 3.77Å; W392-Y516 AromaticContact NE1-CD1 3.87Å; Y516-N518 PolarHBondContact O-N 2.96Å; Y516-N518 VanDerWaalsContact O-N 3.17Å; Y516-P519 VanDerWaalsContact O-CD 3.24Å; Y516-P519 WeakPolarHBondContact O-CD 3.45Å; Y516-P519 WeakPolarHBondContact O-CG 3.3Å; Y516-K522 HydrophobicContact CD2-CD 3.8Å; Y516-K522 HydrophobicContact CE2-CD 3.88Å
517	P	76.6	Confident	74.5	Confident	59 Å²	59	87.1 Å²	87.1	38%	0.383	44%	0.437	S	S	.	.	S	Bend	trans	-51.9	-40.6	180	-29.1	35.5	0	0	0	113.5	D336 L341	D336-P517 WeakPolarHBondContact O-CB 3.32Å; L341-P517 HydrophobicContact CD1-CG 4.48Å
518	N	74.9	Confident	72.1	Confident	43 Å²	43	94.4 Å²	94.4	23%	0.23	46%	0.461	C	S	.	.			trans	-130.3	87.5	174.5	-161.8	-38	0	0	0	112	Y516 M520 K521	Y516-N518 PolarHBondContact O-N 2.96Å; Y516-N518 VanDerWaalsContact O-N 3.17Å; N518-M520 PolarHBondContact O-N 3.37Å; N518-M520 PolarHBondContact OD1-N 3.01Å; N518-K521 HydrophobicContact CB-CB 4.23Å; N518-K521 WeakPolarHBondContact ND2-CD 3.49Å; N518-K521 PolarHBondContact O-N 3.42Å; N518-K521 PolarHBondContact OD1-N 3.48Å
519	P	69.4	Low	69.3	Low	54 Å²	54	95.8 Å²	95.8	35%	0.351	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-26.7	-177.7	-21.8	33.8	0	0	0	113.4	Q515 Y516	Q515-P519 HydrophobicContact CB-CG 4.34Å; Y516-P519 VanDerWaalsContact O-CD 3.24Å; Y516-P519 WeakPolarHBondContact O-CD 3.45Å; Y516-P519 WeakPolarHBondContact O-CG 3.3Å
520	M	66	Low	68	Low	135 Å²	135	99.9 Å²	99.9	67%	0.665	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-38.9	-176.8	-66	-60.3	-65.5	0	0	112.4	N518 R523	N518-M520 PolarHBondContact O-N 3.37Å; N518-M520 PolarHBondContact OD1-N 3.01Å; M520-R523 PolarHBondContact O-N 3.06Å
521	K	64.8	Low	66.6	Low	63 Å²	63	104.1 Å²	104.1	27%	0.274	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-69.4	-30.9	177.9	-78.5	-172.7	-179.1	172.4	0	113.4	D335 N518 R523 L524	D335-K521 IonicContact OD2-NZ 2.78Å; D335-K521 PolarHBondContact OD2-NZ 3.39Å; N518-K521 HydrophobicContact CB-CB 4.23Å; N518-K521 WeakPolarHBondContact ND2-CD 3.49Å; N518-K521 PolarHBondContact O-N 3.42Å; N518-K521 PolarHBondContact OD1-N 3.48Å; K521-R523 PolarHBondContact O-N 3.31Å; K521-L524 PolarHBondContact O-N 2.94Å
522	K	57.2	Low	65	Low	66 Å²	66	108.9 Å²	108.9	29%	0.287	53%	0.533	S	S	.	.	G	3₁₀ helix	trans	-63.8	-21.1	176.4	-162	179.5	-179.4	-171.2	0	113.3	D344 Y516 L524	D344-K522 WeakPolarHBondContact OD1-CE 3.46Å; D344-K522 IonicContact OD1-NZ 3.26Å; D344-K522 PolarHBondContact OD1-NZ 3.01Å; Y516-K522 HydrophobicContact CD2-CD 3.8Å; Y516-K522 HydrophobicContact CE2-CD 3.88Å; K522-L524 PolarHBondContact O-N 2.69Å
523	R	51.2	Low	63.2	Low	198 Å²	198	109.7 Å²	109.7	75%	0.747	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-76	7.1	176.3	-70.1	-176.4	173.6	-179.8	-0.8	114.1	M520 K521 D525	M520-R523 PolarHBondContact O-N 3.06Å; K521-R523 PolarHBondContact O-N 3.31Å; R523-D525 PolarHBondContact O-N 3.33Å
524	L	43.8	Very low	61.3	Low	129 Å²	129	110.3 Å²	110.3	68%	0.675	54%	0.538	S	S	*	.			trans	-59.9	108.9	172.2	-96.9	152.9	0	0	0	109.9	K521 K522 R526	K521-L524 PolarHBondContact O-N 2.94Å; K522-L524 PolarHBondContact O-N 2.69Å; L524-R526 PolarHBondContact O-N 3.37Å
525	D	44.2	Very low	59.5	Low	93 Å²	93	113.1 Å²	113.1	50%	0.497	54%	0.544	S	S	.	.			trans	-61.9	116.8	-168.7	-168.6	-4	0	0	0	111.9	R523 S527 K528	R523-D525 PolarHBondContact O-N 3.33Å; D525-S527 PolarHBondContact O-N 3.16Å; D525-S527 VanDerWaalsContact O-N 3.09Å; D525-S527 WeakPolarHBondContact OD1-CB 3.41Å; D525-S527 PolarHBondContact OD1-N 2.94Å; D525-S527 PolarHBondContact OD1-OG 3.09Å; D525-S527 PolarHBondContact OD2-OG 3Å; D525-K528 PolarHBondContact O-N 3.39Å; D525-K528 VanDerWaalsContact O-N 3.11Å
526	R	47.5	Very low	57.6	Low	189 Å²	189	111.4 Å²	111.4	71%	0.713	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-61.5	-12	173.3	-75.8	-178.2	68.9	177.5	0.6	112.8	L524 K528 L529	L524-R526 PolarHBondContact O-N 3.37Å; R526-K528 PolarHBondContact O-N 3.07Å; R526-L529 PolarHBondContact O-N 3.4Å
527	S	45.4	Very low	55.5	Low	87 Å²	87	115.7 Å²	115.7	61%	0.608	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-64.1	-11.2	171.3	79.2	0	0	0	0	113.9	D525	D525-S527 PolarHBondContact O-N 3.16Å; D525-S527 VanDerWaalsContact O-N 3.09Å; D525-S527 WeakPolarHBondContact OD1-CB 3.41Å; D525-S527 PolarHBondContact OD1-N 2.94Å; D525-S527 PolarHBondContact OD1-OG 3.09Å; D525-S527 PolarHBondContact OD2-OG 3Å
528	K	44.2	Very low	53.8	Low	178 Å²	178	120.4 Å²	120.4	77%	0.774	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-103.5	3	179.5	-62.1	-173.1	179	-178.3	0	114.6	D525 R526	D525-K528 PolarHBondContact O-N 3.39Å; D525-K528 VanDerWaalsContact O-N 3.11Å; R526-K528 PolarHBondContact O-N 3.07Å
529	L	36.9	Very low	51.9	Low	210 Å²	210	127.5 Å²	127.5	100%	1.099	61%	0.608	S	S	*	*			trans	-109.7	0	172	-77	165.1	0	0	0	109.2	R526	R526-L529 PolarHBondContact O-N 3.4Å

Retrieved 529 of 529 residues in 149.2 ms (Link to these results)

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