A0A3Q0KQN6_SCHMA Loading...

Putative cytochrome P450 AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KQN6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 481 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	66.6	Low	76.4	Confident	181 Å²	181	109.8 Å²	109.8	89%	0.892	57%	0.566	S	S	*	*				0	-57.1	0	-154.5	170	80	0	0	111.5	T3 I4 L5	M1-T3 PolarHBondContact O-N 2.83Å; M1-I4 PolarHBondContact O-N 2.9Å; M1-L5 PolarHBondContact O-N 2.76Å
2	W	71.7	Confident	77.4	Confident	191 Å²	191	107.8 Å²	107.8	72%	0.723	56%	0.563	S	S	*	*	H	α-helix	trans	-58	-38.9	179.2	-70	104	0	0	0	115.6	I4 L5 L6	W2-I4 VanDerWaalsContact C-N 3.34Å; W2-I4 PolarHBondContact O-N 2.65Å; W2-L5 PolarHBondContact O-N 3.1Å; W2-L6 PolarHBondContact O-N 2.99Å
3	T	74.6	Confident	78.5	Confident	111 Å²	111	107.8 Å²	107.8	68%	0.681	56%	0.563	S	S	*	*	H	α-helix	trans	-63.5	-36.6	177.5	43.6	0	0	0	0	113.4	M1 S7	M1-T3 PolarHBondContact O-N 2.83Å; T3-S7 WeakPolarHBondContact O-CB 3.34Å; T3-S7 PolarHBondContact O-N 2.72Å; T3-S7 VanDerWaalsContact O-N 3.09Å; T3-S7 PolarHBondContact O-OG 3.28Å
4	I	74	Confident	79.3	Confident	113 Å²	113	104.1 Å²	104.1	58%	0.579	56%	0.555	S	S	*	*	H	α-helix	trans	-72.3	-38.3	176.8	-59.4	172	0	0	0	110.1	M1 W2 S7 T8	M1-I4 PolarHBondContact O-N 2.9Å; W2-I4 VanDerWaalsContact C-N 3.34Å; W2-I4 PolarHBondContact O-N 2.65Å; I4-S7 PolarHBondContact O-OG 2.78Å; I4-T8 VanDerWaalsContact O-CG2 3.31Å; I4-T8 WeakPolarHBondContact O-CG2 3.47Å; I4-T8 PolarHBondContact O-N 3.41Å; I4-T8 VanDerWaalsContact O-N 3.08Å; I4-T8 PolarHBondContact O-OG1 2.9Å; I4-T8 VanDerWaalsContact O-OG1 3.11Å
5	L	68.1	Low	80	Confident	94 Å²	94	101.7 Å²	101.7	49%	0.492	55%	0.546	S	S	.	.	H	α-helix	trans	-67.4	-41.5	177.4	-154.1	94.1	0	0	0	112	M1 W2 T8 I9	M1-L5 PolarHBondContact O-N 2.76Å; W2-L5 PolarHBondContact O-N 3.1Å; L5-T8 PolarHBondContact O-OG1 3.23Å; L5-I9 HydrophobicContact CD2-CD1 4.21Å; L5-I9 HydrophobicContact CG-CD1 4.26Å; L5-I9 WeakPolarHBondContact O-CD1 3.4Å; L5-I9 VanDerWaalsContact O-CG1 3.23Å; L5-I9 WeakPolarHBondContact O-CG1 3.26Å; L5-I9 PolarHBondContact O-N 3.01Å; L5-I9 VanDerWaalsContact O-N 3.11Å
6	L	71.7	Confident	80.8	Confident	100 Å²	100	98.7 Å²	98.7	52%	0.524	54%	0.54	S	S	.	.	H	α-helix	trans	-66	-40.4	176.2	-84.3	151.7	0	0	0	111.9	W2 N10	W2-L6 PolarHBondContact O-N 2.99Å; L6-N10 WeakPolarHBondContact O-CB 3.17Å; L6-N10 VanDerWaalsContact O-CG 3.24Å; L6-N10 PolarHBondContact O-N 3.06Å; L6-N10 PolarHBondContact O-ND2 2.95Å
7	S	78.2	Confident	81.5	Confident	54 Å²	54	99.1 Å²	99.1	38%	0.378	54%	0.541	S	S	.	.	H	α-helix	trans	-67.3	-40	178.6	68.8	0	0	0	0	112	T3 I4 N10 I11	T3-S7 WeakPolarHBondContact O-CB 3.34Å; T3-S7 PolarHBondContact O-N 2.72Å; T3-S7 VanDerWaalsContact O-N 3.09Å; T3-S7 PolarHBondContact O-OG 3.28Å; I4-S7 PolarHBondContact O-OG 2.78Å; S7-N10 PolarHBondContact O-N 3.21Å; S7-I11 WeakPolarHBondContact O-CD1 3.34Å; S7-I11 WeakPolarHBondContact O-CG1 3.48Å; S7-I11 PolarHBondContact O-N 3.18Å
8	T	79.2	Confident	82.1	Confident	67 Å²	67	99.8 Å²	99.8	41%	0.411	54%	0.541	S	S	.	.	H	α-helix	trans	-67.6	-41.7	177.7	54.5	0	0	0	0	112.4	I4 L5 N10 I11 T12	I4-T8 VanDerWaalsContact O-CG2 3.31Å; I4-T8 WeakPolarHBondContact O-CG2 3.47Å; I4-T8 PolarHBondContact O-N 3.41Å; I4-T8 VanDerWaalsContact O-N 3.08Å; I4-T8 PolarHBondContact O-OG1 2.9Å; I4-T8 VanDerWaalsContact O-OG1 3.11Å; L5-T8 PolarHBondContact O-OG1 3.23Å; T8-N10 VanDerWaalsContact C-N 3.35Å; T8-N10 PolarHBondContact O-N 2.89Å; T8-I11 PolarHBondContact O-N 3.03Å; T8-T12 WeakPolarHBondContact O-CG2 3.22Å; T8-T12 PolarHBondContact O-N 3.42Å; T8-T12 PolarHBondContact O-OG1 2.97Å
9	I	82.1	Confident	82.6	Confident	91 Å²	91	99.6 Å²	99.6	47%	0.467	54%	0.539	S	S	.	.	H	α-helix	trans	-62.5	-41.3	175.7	-67.6	166.3	0	0	0	111.3	L5 T12 L13	L5-I9 HydrophobicContact CD2-CD1 4.21Å; L5-I9 HydrophobicContact CG-CD1 4.26Å; L5-I9 WeakPolarHBondContact O-CD1 3.4Å; L5-I9 VanDerWaalsContact O-CG1 3.23Å; L5-I9 WeakPolarHBondContact O-CG1 3.26Å; L5-I9 PolarHBondContact O-N 3.01Å; L5-I9 VanDerWaalsContact O-N 3.11Å; I9-T12 WeakPolarHBondContact CA-OG1 3.48Å; I9-T12 PolarHBondContact O-N 3.35Å; I9-T12 PolarHBondContact O-OG1 3.37Å; I9-L13 WeakPolarHBondContact O-CB 3.43Å; I9-L13 PolarHBondContact O-N 2.68Å
10	N	86.9	Confident	83	Confident	100 Å²	100	97.1 Å²	97.1	54%	0.535	53%	0.529	S	S	.	.	H	α-helix	trans	-65.9	-39	177.8	-74.7	-23.3	0	0	0	112	L6 S7 T8 A14	L6-N10 WeakPolarHBondContact O-CB 3.17Å; L6-N10 VanDerWaalsContact O-CG 3.24Å; L6-N10 PolarHBondContact O-N 3.06Å; L6-N10 PolarHBondContact O-ND2 2.95Å; S7-N10 PolarHBondContact O-N 3.21Å; T8-N10 VanDerWaalsContact C-N 3.35Å; T8-N10 PolarHBondContact O-N 2.89Å; N10-A14 VanDerWaalsContact O-CB 3.26Å; N10-A14 WeakPolarHBondContact O-CB 3.45Å; N10-A14 PolarHBondContact O-N 3.35Å
11	I	87.4	Confident	83.3	Confident	106 Å²	106	99.5 Å²	99.5	54%	0.544	54%	0.535	S	S	.	.	H	α-helix	trans	-66.8	-44.3	177.1	-67.5	164.2	0	0	0	110.7	S7 T8 A14 T15	S7-I11 WeakPolarHBondContact O-CD1 3.34Å; S7-I11 WeakPolarHBondContact O-CG1 3.48Å; S7-I11 PolarHBondContact O-N 3.18Å; T8-I11 PolarHBondContact O-N 3.03Å; I11-A14 PolarHBondContact O-N 3.16Å; I11-T15 HydrophobicContact CG2-CG2 4.45Å; I11-T15 WeakPolarHBondContact O-CG2 3.36Å; I11-T15 PolarHBondContact O-N 3.2Å; I11-T15 PolarHBondContact O-OG1 2.92Å
12	T	88.4	Confident	84.3	Confident	86 Å²	86	94.4 Å²	94.4	53%	0.528	51%	0.511	S	S	.	.	H	α-helix	trans	-67.2	-37.6	179.1	51.6	0	0	0	0	112.7	T8 I9 T15 A16	T8-T12 WeakPolarHBondContact O-CG2 3.22Å; T8-T12 PolarHBondContact O-N 3.42Å; T8-T12 PolarHBondContact O-OG1 2.97Å; I9-T12 WeakPolarHBondContact CA-OG1 3.48Å; I9-T12 PolarHBondContact O-N 3.35Å; I9-T12 PolarHBondContact O-OG1 3.37Å; T12-T15 WeakPolarHBondContact CA-OG1 3.32Å; T12-T15 PolarHBondContact O-OG1 3.3Å; T12-A16 WeakPolarHBondContact O-CB 3.19Å; T12-A16 PolarHBondContact O-N 3.18Å
13	L	91.1	Very high	85	Confident	107 Å²	107	89.9 Å²	89.9	56%	0.56	50%	0.5	S	S	*	.	H	α-helix	trans	-66.6	-43.4	175.1	-166.5	75.9	0	0	0	111.3	I9 A16 L17	I9-L13 WeakPolarHBondContact O-CB 3.43Å; I9-L13 PolarHBondContact O-N 2.68Å; L13-A16 PolarHBondContact O-N 2.85Å; L13-L17 HydrophobicContact CG-CD1 4.3Å; L13-L17 WeakPolarHBondContact O-CB 3.35Å; L13-L17 WeakPolarHBondContact O-CG 3.43Å; L13-L17 PolarHBondContact O-N 3.22Å
14	A	89.7	Confident	85.4	Confident	56 Å²	56	89.8 Å²	89.8	46%	0.463	49%	0.494	S	S	.	.	H	α-helix	trans	-63.5	-41.5	177.8	0	0	0	0	0	112.2	N10 I11 L17 M18	N10-A14 VanDerWaalsContact O-CB 3.26Å; N10-A14 WeakPolarHBondContact O-CB 3.45Å; N10-A14 PolarHBondContact O-N 3.35Å; I11-A14 PolarHBondContact O-N 3.16Å; A14-L17 PolarHBondContact O-N 2.76Å; A14-M18 WeakPolarHBondContact O-CB 3.39Å; A14-M18 PolarHBondContact O-N 3.35Å
15	T	90.7	Very high	85.6	Confident	68 Å²	68	90.7 Å²	90.7	42%	0.417	49%	0.491	S	S	.	.	H	α-helix	trans	-67.6	-39.4	176.5	55.4	0	0	0	0	111.9	I11 T12 M18 L19	I11-T15 HydrophobicContact CG2-CG2 4.45Å; I11-T15 WeakPolarHBondContact O-CG2 3.36Å; I11-T15 PolarHBondContact O-N 3.2Å; I11-T15 PolarHBondContact O-OG1 2.92Å; T12-T15 WeakPolarHBondContact CA-OG1 3.32Å; T12-T15 PolarHBondContact O-OG1 3.3Å; T15-M18 PolarHBondContact O-N 3.02Å; T15-L19 WeakPolarHBondContact O-CB 3.25Å; T15-L19 WeakPolarHBondContact O-CG 3.32Å; T15-L19 PolarHBondContact O-N 3Å
16	A	92	Very high	85.9	Confident	54 Å²	54	90.8 Å²	90.8	45%	0.446	49%	0.491	S	S	.	.	H	α-helix	trans	-64.2	-42	175.3	0	0	0	0	0	112.5	T12 L13 L19 S20	T12-A16 WeakPolarHBondContact O-CB 3.19Å; T12-A16 PolarHBondContact O-N 3.18Å; L13-A16 PolarHBondContact O-N 2.85Å; A16-L19 PolarHBondContact O-N 3.37Å; A16-S20 WeakPolarHBondContact O-CB 3.27Å; A16-S20 PolarHBondContact O-N 3.23Å; A16-S20 PolarHBondContact O-OG 3.4Å
17	L	92.6	Very high	85.9	Confident	106 Å²	106	90.3 Å²	90.3	56%	0.555	49%	0.489	S	S	*	.	H	α-helix	trans	-66.6	-38.6	175.2	-73.8	171.3	0	0	0	112.3	L13 A14 S20 F21	L13-L17 HydrophobicContact CG-CD1 4.3Å; L13-L17 WeakPolarHBondContact O-CB 3.35Å; L13-L17 WeakPolarHBondContact O-CG 3.43Å; L13-L17 PolarHBondContact O-N 3.22Å; A14-L17 PolarHBondContact O-N 2.76Å; L17-S20 WeakPolarHBondContact CA-OG 3.39Å; L17-S20 PolarHBondContact O-N 2.66Å; L17-S20 PolarHBondContact O-OG 3.46Å; L17-F21 VanDerWaalsContact O-CB 3.3Å; L17-F21 WeakPolarHBondContact O-CB 3.35Å; L17-F21 PolarHBondContact O-N 3.17Å
18	M	92	Very high	85.6	Confident	112 Å²	112	95 Å²	95	55%	0.552	50%	0.499	S	S	*	.	H	α-helix	trans	-65.4	-44.3	175.3	-168	-170.3	76.4	0	0	110.9	A14 T15 F21 I22	A14-M18 WeakPolarHBondContact O-CB 3.39Å; A14-M18 PolarHBondContact O-N 3.35Å; T15-M18 PolarHBondContact O-N 3.02Å; M18-F21 PolarHBondContact O-N 3.42Å; M18-I22 HydrophobicContact CE-CD1 4.11Å; M18-I22 HydrophobicContact CG-CD1 4.06Å; M18-I22 WeakPolarHBondContact O-CB 3.49Å; M18-I22 WeakPolarHBondContact O-CD1 3.39Å; M18-I22 WeakPolarHBondContact O-CG1 3.29Å; M18-I22 PolarHBondContact O-N 2.9Å
19	L	92.6	Very high	84.7	Confident	96 Å²	96	95.1 Å²	95.1	50%	0.503	50%	0.497	S	S	.	.	H	α-helix	trans	-63	-43	175.6	-76.7	166.4	0	0	0	111.8	T15 A16 I22 I23	T15-L19 WeakPolarHBondContact O-CB 3.25Å; T15-L19 WeakPolarHBondContact O-CG 3.32Å; T15-L19 PolarHBondContact O-N 3Å; A16-L19 PolarHBondContact O-N 3.37Å; L19-I22 PolarHBondContact O-N 2.94Å; L19-I23 WeakPolarHBondContact O-CB 3.47Å; L19-I23 WeakPolarHBondContact O-CD1 3.45Å; L19-I23 WeakPolarHBondContact O-CG1 3.48Å; L19-I23 PolarHBondContact O-N 3.13Å
20	S	90.3	Very high	83.7	Confident	48 Å²	48	96.8 Å²	96.8	34%	0.336	50%	0.502	S	S	.	.	H	α-helix	trans	-65.9	-40.5	177.4	71.5	0	0	0	0	111.7	A16 L17 I23 I24	A16-S20 WeakPolarHBondContact O-CB 3.27Å; A16-S20 PolarHBondContact O-N 3.23Å; A16-S20 PolarHBondContact O-OG 3.4Å; L17-S20 WeakPolarHBondContact CA-OG 3.39Å; L17-S20 PolarHBondContact O-N 2.66Å; L17-S20 PolarHBondContact O-OG 3.46Å; S20-I23 PolarHBondContact O-N 3Å; S20-I24 WeakPolarHBondContact O-CB 3.39Å; S20-I24 VanDerWaalsContact O-CG1 3.22Å; S20-I24 WeakPolarHBondContact O-CG1 3.04Å; S20-I24 PolarHBondContact O-N 3.27Å
21	F	89.7	Confident	82.4	Confident	149 Å²	149	98.6 Å²	98.6	65%	0.654	51%	0.512	S	S	*	.	H	α-helix	trans	-64	-41.3	174.9	-166.3	-93.5	0	0	0	111.7	L17 M18 I24 Y25	L17-F21 VanDerWaalsContact O-CB 3.3Å; L17-F21 WeakPolarHBondContact O-CB 3.35Å; L17-F21 PolarHBondContact O-N 3.17Å; M18-F21 PolarHBondContact O-N 3.42Å; F21-I24 PolarHBondContact O-N 3.34Å; F21-Y25 WeakPolarHBondContact O-CB 3.47Å; F21-Y25 PolarHBondContact O-N 2.85Å
22	I	87.2	Confident	81.2	Confident	74 Å²	74	97.2 Å²	97.2	38%	0.379	51%	0.512	S	S	.	.	H	α-helix	trans	-61.3	-46.6	173.3	-69.9	164	0	0	0	110.2	M18 L19 Y25 L26	M18-I22 HydrophobicContact CE-CD1 4.11Å; M18-I22 HydrophobicContact CG-CD1 4.06Å; M18-I22 WeakPolarHBondContact O-CB 3.49Å; M18-I22 WeakPolarHBondContact O-CD1 3.39Å; M18-I22 WeakPolarHBondContact O-CG1 3.29Å; M18-I22 PolarHBondContact O-N 2.9Å; L19-I22 PolarHBondContact O-N 2.94Å; I22-Y25 PolarHBondContact O-N 3.25Å; I22-L26 HydrophobicContact CG2-CD1 3.77Å; I22-L26 HydrophobicContact CG2-CG 4.27Å; I22-L26 WeakPolarHBondContact O-CB 3.31Å; I22-L26 WeakPolarHBondContact O-CG 3.34Å; I22-L26 PolarHBondContact O-N 3.22Å
23	I	85.6	Confident	80.1	Confident	96 Å²	96	95 Å²	95	49%	0.492	50%	0.498	S	S	.	.	H	α-helix	trans	-62.4	-48	178.3	-69.1	163.6	0	0	0	110.9	L19 S20 Y25 L26 L27	L19-I23 WeakPolarHBondContact O-CB 3.47Å; L19-I23 WeakPolarHBondContact O-CD1 3.45Å; L19-I23 WeakPolarHBondContact O-CG1 3.48Å; L19-I23 PolarHBondContact O-N 3.13Å; S20-I23 PolarHBondContact O-N 3Å; I23-Y25 VanDerWaalsContact C-N 3.33Å; I23-Y25 PolarHBondContact O-N 3.11Å; I23-L26 PolarHBondContact O-N 3.31Å; I23-L27 HydrophobicContact CG2-CD1 3.87Å; I23-L27 HydrophobicContact CG2-CG 4.33Å; I23-L27 WeakPolarHBondContact O-CB 3.35Å; I23-L27 VanDerWaalsContact O-CG 3.25Å; I23-L27 WeakPolarHBondContact O-CG 3.49Å; I23-L27 PolarHBondContact O-N 2.88Å
24	I	83.5	Confident	79.9	Confident	108 Å²	108	97.4 Å²	97.4	55%	0.554	50%	0.504	S	S	*	.	H	α-helix	trans	-61.8	-42.9	178.5	-69.4	165.8	0	0	0	110.6	S20 F21 L27 Y28	S20-I24 WeakPolarHBondContact O-CB 3.39Å; S20-I24 VanDerWaalsContact O-CG1 3.22Å; S20-I24 WeakPolarHBondContact O-CG1 3.04Å; S20-I24 PolarHBondContact O-N 3.27Å; F21-I24 PolarHBondContact O-N 3.34Å; I24-L27 PolarHBondContact O-N 2.93Å; I24-Y28 VanDerWaalsContact O-CB 3.24Å; I24-Y28 WeakPolarHBondContact O-CB 3.35Å; I24-Y28 PolarHBondContact O-N 2.88Å
25	Y	77.8	Confident	79.9	Confident	133 Å²	133	97.1 Å²	97.1	52%	0.522	50%	0.495	S	S	.	.	H	α-helix	trans	-64.9	-41.9	177.4	179.5	-111.8	0	0	0	111.9	F21 I22 I23 Y28 I29	F21-Y25 WeakPolarHBondContact O-CB 3.47Å; F21-Y25 PolarHBondContact O-N 2.85Å; I22-Y25 PolarHBondContact O-N 3.25Å; I23-Y25 VanDerWaalsContact C-N 3.33Å; I23-Y25 PolarHBondContact O-N 3.11Å; Y25-Y28 PolarHBondContact O-N 3.23Å; Y25-I29 HydrophobicContact CD1-CD1 3.66Å; Y25-I29 HydrophobicContact CD2-CD1 4.26Å; Y25-I29 HydrophobicContact CD2-CG1 4.47Å; Y25-I29 HydrophobicContact CE1-CD1 3.19Å; Y25-I29 HydrophobicContact CE1-CG1 4.31Å; Y25-I29 HydrophobicContact CE2-CD1 3.84Å; Y25-I29 HydrophobicContact CE2-CG1 4.13Å; Y25-I29 HydrophobicContact CG-CD1 4.18Å; Y25-I29 WeakPolarHBondContact O-CG1 3.47Å; Y25-I29 PolarHBondContact O-N 3.16Å
26	L	74.5	Confident	80.1	Confident	96 Å²	96	94.1 Å²	94.1	50%	0.503	48%	0.476	S	S	.	.	H	α-helix	trans	-62.5	-44.4	174.1	-71.2	171.9	0	0	0	111.4	I22 I23 I29 Q30	I22-L26 HydrophobicContact CG2-CD1 3.77Å; I22-L26 HydrophobicContact CG2-CG 4.27Å; I22-L26 WeakPolarHBondContact O-CB 3.31Å; I22-L26 WeakPolarHBondContact O-CG 3.34Å; I22-L26 PolarHBondContact O-N 3.22Å; I23-L26 PolarHBondContact O-N 3.31Å; L26-I29 PolarHBondContact O-N 2.98Å; L26-Q30 VanDerWaalsContact O-CB 3.28Å; L26-Q30 WeakPolarHBondContact O-CB 3.3Å; L26-Q30 PolarHBondContact O-N 2.89Å
27	L	73.5	Confident	80.2	Confident	90 Å²	90	93.6 Å²	93.6	47%	0.471	47%	0.468	S	S	.	.	H	α-helix	trans	-64.5	-39.2	174.9	-70	173	0	0	0	112	I23 I24 Q30 N31	I23-L27 HydrophobicContact CG2-CD1 3.87Å; I23-L27 HydrophobicContact CG2-CG 4.33Å; I23-L27 WeakPolarHBondContact O-CB 3.35Å; I23-L27 VanDerWaalsContact O-CG 3.25Å; I23-L27 WeakPolarHBondContact O-CG 3.49Å; I23-L27 PolarHBondContact O-N 2.88Å; I24-L27 PolarHBondContact O-N 2.93Å; L27-Q30 PolarHBondContact O-N 3.44Å; L27-N31 WeakPolarHBondContact O-CB 3.41Å; L27-N31 PolarHBondContact O-N 3.12Å
28	Y	70.5	Confident	80.3	Confident	152 Å²	152	89.6 Å²	89.6	60%	0.596	45%	0.453	S	S	*	.	H	α-helix	trans	-65.8	-45.6	176.9	174.1	-98.2	0	0	0	111.5	I24 Y25 Q30 N31 S32	I24-Y28 VanDerWaalsContact O-CB 3.24Å; I24-Y28 WeakPolarHBondContact O-CB 3.35Å; I24-Y28 PolarHBondContact O-N 2.88Å; Y25-Y28 PolarHBondContact O-N 3.23Å; Y28-Q30 VanDerWaalsContact C-N 3.29Å; Y28-Q30 PolarHBondContact O-N 3.07Å; Y28-N31 PolarHBondContact O-N 3.47Å; Y28-S32 WeakPolarHBondContact O-CB 3.42Å; Y28-S32 PolarHBondContact O-N 2.87Å
29	I	59.9	Low	80.3	Confident	69 Å²	69	84.8 Å²	84.8	35%	0.354	43%	0.43	S	S	.	.	H	α-helix	trans	-61.3	-42.7	174.7	-69.4	164.4	0	0	0	110.5	Y25 L26 N31 S32 T33	Y25-I29 HydrophobicContact CD1-CD1 3.66Å; Y25-I29 HydrophobicContact CD2-CD1 4.26Å; Y25-I29 HydrophobicContact CD2-CG1 4.47Å; Y25-I29 HydrophobicContact CE1-CD1 3.19Å; Y25-I29 HydrophobicContact CE1-CG1 4.31Å; Y25-I29 HydrophobicContact CE2-CD1 3.84Å; Y25-I29 HydrophobicContact CE2-CG1 4.13Å; Y25-I29 HydrophobicContact CG-CD1 4.18Å; Y25-I29 WeakPolarHBondContact O-CG1 3.47Å; Y25-I29 PolarHBondContact O-N 3.16Å; L26-I29 PolarHBondContact O-N 2.98Å; I29-N31 VanDerWaalsContact C-N 3.29Å; I29-N31 PolarHBondContact O-N 3.35Å; I29-S32 PolarHBondContact O-N 2.65Å; I29-T33 PolarHBondContact O-N 3.26Å; I29-T33 PolarHBondContact O-OG1 3.03Å
30	Q	61.3	Low	80	Confident	126 Å²	126	86.4 Å²	86.4	59%	0.589	44%	0.444	S	S	*	.	H	α-helix	trans	-62.3	-36.5	178.8	-168.3	175.6	-2	0	0	111.8	L26 L27 Y28	L26-Q30 VanDerWaalsContact O-CB 3.28Å; L26-Q30 WeakPolarHBondContact O-CB 3.3Å; L26-Q30 PolarHBondContact O-N 2.89Å; L27-Q30 PolarHBondContact O-N 3.44Å; Y28-Q30 VanDerWaalsContact C-N 3.29Å; Y28-Q30 PolarHBondContact O-N 3.07Å
31	N	60.9	Low	79.7	Confident	139 Å²	139	85.8 Å²	85.8	74%	0.743	44%	0.44	S	S	*	.	H	α-helix	trans	-85.7	-29	177.1	-79.6	-18.7	0	0	0	114.4	L27 Y28 I29 T33	L27-N31 WeakPolarHBondContact O-CB 3.41Å; L27-N31 PolarHBondContact O-N 3.12Å; Y28-N31 PolarHBondContact O-N 3.47Å; I29-N31 VanDerWaalsContact C-N 3.29Å; I29-N31 PolarHBondContact O-N 3.35Å; N31-T33 VanDerWaalsContact C-N 3.27Å; N31-T33 PolarHBondContact O-N 3.46Å
32	S	61.1	Low	79.3	Confident	77 Å²	77	88.1 Å²	88.1	54%	0.538	44%	0.444	S	S	.	.	H	α-helix	trans	-70.3	-26.4	-177.1	177.3	0	0	0	0	112	Y28 I29	Y28-S32 WeakPolarHBondContact O-CB 3.42Å; Y28-S32 PolarHBondContact O-N 2.87Å; I29-S32 PolarHBondContact O-N 2.65Å
33	T	66.6	Low	78.9	Confident	39 Å²	39	89.7 Å²	89.7	24%	0.239	46%	0.459	C	S	.	.	S	Bend	trans	-106.2	125.4	175.6	57.2	0	0	0	0	110.6	I29 N31 L35 Y365	I29-T33 PolarHBondContact O-N 3.26Å; I29-T33 PolarHBondContact O-OG1 3.03Å; N31-T33 VanDerWaalsContact C-N 3.27Å; N31-T33 PolarHBondContact O-N 3.46Å; T33-L35 PolarHBondContact O-N 3.07Å; T33-Y365 HydrophobicContact CG2-CD1 3.85Å; T33-Y365 HydrophobicContact CG2-CE1 3.91Å
34	K	85.5	Confident	78.4	Confident	158 Å²	158	92.8 Å²	92.8	69%	0.687	48%	0.476	S	S	*	.			trans	-73.8	67	170.5	-70.4	-171.1	179.5	-175.4	0	110.2	Y364 Y365	K34-Y364 CarbonylContact O-C 3.49Å; K34-Y364 VanDerWaalsContact O-CA 3.31Å; K34-Y364 WeakPolarHBondContact O-CA 3.24Å; K34-Y365 PolarHBondContact O-N 2.91Å
35	L	90.9	Very high	78.5	Confident	50 Å²	50	92.1 Å²	92.1	26%	0.262	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-61.1	152	172	-71.6	174.8	0	0	0	110.3	T33 Y364 P367	T33-L35 PolarHBondContact O-N 3.07Å; L35-Y364 WeakPolarHBondContact O-CD1 3.5Å; L35-P367 HydrophobicContact CD2-CG 3.8Å
36	P	94.2	Very high	79.1	Confident	4 Å²	4	85.9 Å²	85.9	3%	0.026	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-56	151.6	168.4	-21.2	31.8	0	0	0	112	I69 S71 I80 Y364 I366	P36-I69 HydrophobicContact CB-CB 4.4Å; P36-I69 HydrophobicContact CB-CD1 4.01Å; P36-I69 HydrophobicContact CB-CG1 3.69Å; P36-I69 HydrophobicContact CB-CG2 4.18Å; P36-I69 HydrophobicContact CG-CD1 3.57Å; P36-I69 HydrophobicContact CG-CG1 3.75Å; P36-S71 PolarHBondContact O-OG 2.89Å; P36-I80 HydrophobicContact CG-CG2 4.37Å; P36-Y364 VanDerWaalsContact CA-CD1 3.5Å; P36-Y364 HydrophobicContact CB-CD1 4.37Å; P36-Y364 HydrophobicContact CB-CG 4.23Å; P36-Y364 HydrophobicContact CG-CD1 4.49Å; P36-Y364 HydrophobicContact CG-CG 4.07Å; P36-I366 HydrophobicContact CG-CD1 3.97Å
37	P	94.3	Very high	80	Confident	43 Å²	43	83.3 Å²	83.3	28%	0.279	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-61.7	160.5	176.8	30	-37	0	0	0	111.1	Y66 V70 S71	P37-Y66 HydrophobicContact CB-CD1 4.27Å; P37-Y66 WeakPolarHBondContact CG-O 3.47Å; P37-V70 CarbonylContact O-C 3.51Å; P37-V70 VanDerWaalsContact O-CA 3.23Å; P37-V70 WeakPolarHBondContact O-CA 3.36Å; P37-S71 PolarHBondContact O-N 2.96Å
38	G	94.1	Very high	80.8	Confident	23 Å²	23	82 Å²	82	24%	0.237	43%	0.428	C	S	.	.			trans	169.8	-178.8	173.3	0	0	0	0	0	113	Y66 S71	G38-Y66 VanDerWaalsContact C-CZ 3.48Å; G38-Y66 WeakPolarHBondContact O-CE1 3.46Å; G38-S71 VanDerWaalsContact CA-O 3.32Å; G38-S71 WeakPolarHBondContact CA-O 3.47Å
39	P	93.4	Very high	81.8	Confident	11 Å²	11	77.7 Å²	77.7	7%	0.071	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-65.5	140.3	-173.1	27.1	-34.5	0	0	0	112.2	S41 Y47 L62 Y66 F72	P39-S41 PolarHBondContact O-N 2.8Å; P39-S41 VanDerWaalsContact O-N 3.08Å; P39-S41 PolarHBondContact O-OG 3.43Å; P39-Y47 HydrophobicContact CB-CD1 4.5Å; P39-Y47 HydrophobicContact CB-CD2 3.73Å; P39-Y47 HydrophobicContact CB-CE2 3.85Å; P39-Y47 HydrophobicContact CB-CG 4.07Å; P39-Y47 HydrophobicContact CG-CD1 3.71Å; P39-Y47 HydrophobicContact CG-CD2 3.83Å; P39-Y47 HydrophobicContact CG-CE1 3.96Å; P39-Y47 HydrophobicContact CG-CE2 4.07Å; P39-Y47 HydrophobicContact CG-CG 3.65Å; P39-L62 HydrophobicContact CB-CD2 4.4Å; P39-L62 HydrophobicContact CG-CD1 4.49Å; P39-L62 HydrophobicContact CG-CD2 3.9Å; P39-Y66 VanDerWaalsContact CA-OH 3.3Å; P39-Y66 WeakPolarHBondContact CA-OH 3.47Å; P39-Y66 HydrophobicContact CB-CE2 4.16Å; P39-Y66 HydrophobicContact CG-CE2 4.45Å; P39-F72 HydrophobicContact CG-CB 3.88Å; P39-F72 HydrophobicContact CG-CD1 4.37Å; P39-F72 HydrophobicContact CG-CG 4.33Å
40	T	84.8	Confident	83.3	Confident	129 Å²	129	74.4 Å²	74.4	79%	0.791	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-56.5	117.9	173	-52	0	0	0	0	109.3
41	S	83.9	Confident	84.8	Confident	36 Å²	36	69.8 Å²	69.8	25%	0.252	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-91.8	134.4	-176.9	-70	0	0	0	0	109.4	P39 Q73	P39-S41 PolarHBondContact O-N 2.8Å; P39-S41 VanDerWaalsContact O-N 3.08Å; P39-S41 PolarHBondContact O-OG 3.43Å; S41-Q73 PolarHBondContact OG-N 2.97Å
42	W	82.8	Confident	86.2	Confident	197 Å²	197	64.3 Å²	64.3	75%	0.746	36%	0.36	S	S	*	.	B	Isolated β-bridge	trans	-63.5	145.5	173.3	-73.6	62	0	0	0	109.9	L44 G46	W42-L44 PolarHBondContact O-N 2.84Å; W42-G46 PolarHBondContact N-O 3.41Å; W42-G46 VanDerWaalsContact O-CA 3.3Å; W42-G46 WeakPolarHBondContact O-CA 3.29Å; W42-G46 PolarHBondContact O-N 3.33Å
43	P	77.7	Confident	87.2	Confident	107 Å²	107	67.5 Å²	67.5	70%	0.695	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	136.8	173.6	-24.6	33.7	0	0	0	111.2	I45	P43-I45 PolarHBondContact O-N 3.39Å
44	L	75.4	Confident	88.2	Confident	162 Å²	162	68.4 Å²	68.4	85%	0.848	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	-47.8	178.3	-51.6	171	0	0	0	116.5	W42	W42-L44 PolarHBondContact O-N 2.84Å
45	I	85	Confident	88.4	Confident	93 Å²	93	61 Å²	61	48%	0.477	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-33.1	-173.6	-47.3	179.7	0	0	0	111.4	P43 T48 V74 L75	P43-I45 PolarHBondContact O-N 3.39Å; I45-T48 HydrophobicContact CG2-CG2 3.4Å; I45-V74 WeakPolarHBondContact O-CA 3.5Å; I45-L75 HydrophobicContact CG2-CD2 4.07Å; I45-L75 PolarHBondContact O-N 2.91Å
46	G	90.9	Very high	88.4	Confident	2 Å²	2	59.8 Å²	59.8	2%	0.021	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	81.1	-158.5	177.6	0	0	0	0	0	115	W42 T48 Q73	W42-G46 PolarHBondContact N-O 3.41Å; W42-G46 VanDerWaalsContact O-CA 3.3Å; W42-G46 WeakPolarHBondContact O-CA 3.29Å; W42-G46 PolarHBondContact O-N 3.33Å; G46-T48 PolarHBondContact O-N 3.04Å; G46-Q73 CarbonylContact C-O 3.57Å; G46-Q73 WeakPolarHBondContact CA-O 3.29Å
47	Y	92.6	Very high	88.2	Confident	43 Å²	43	64.1 Å²	64.1	17%	0.169	36%	0.356	C	S	.	.			trans	-81.8	85.1	177.4	-178.8	-113	0	0	0	110.8	P39 S49 C50 L62 F72 Q73	P39-Y47 HydrophobicContact CB-CD1 4.5Å; P39-Y47 HydrophobicContact CB-CD2 3.73Å; P39-Y47 HydrophobicContact CB-CE2 3.85Å; P39-Y47 HydrophobicContact CB-CG 4.07Å; P39-Y47 HydrophobicContact CG-CD1 3.71Å; P39-Y47 HydrophobicContact CG-CD2 3.83Å; P39-Y47 HydrophobicContact CG-CE1 3.96Å; P39-Y47 HydrophobicContact CG-CE2 4.07Å; P39-Y47 HydrophobicContact CG-CG 3.65Å; Y47-S49 VanDerWaalsContact C-N 3.32Å; Y47-C50 HydrophobicContact CD1-CB 3.79Å; Y47-C50 HydrophobicContact CE1-CB 3.73Å; Y47-C50 PolarHBondContact O-SG 3.46Å; Y47-L62 HydrophobicContact CE1-CD1 4.09Å; Y47-L62 HydrophobicContact CE1-CD2 4.27Å; Y47-F72 HydrophobicContact CD1-CD2 4.02Å; Y47-F72 HydrophobicContact CD1-CE2 4.33Å; Y47-F72 HydrophobicContact CD1-CG 4.16Å; Y47-Q73 PolarHBondContact N-O 3.26Å
48	T	92.1	Very high	88.1	Confident	61 Å²	61	65.1 Å²	65.1	37%	0.374	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-79.2	-12.3	-179.2	52.2	0	0	0	0	114.1	I45 G46 C50 L51	I45-T48 HydrophobicContact CG2-CG2 3.4Å; G46-T48 PolarHBondContact O-N 3.04Å; T48-C50 PolarHBondContact O-N 2.82Å; T48-C50 VanDerWaalsContact O-N 3.13Å; T48-L51 HydrophobicContact CG2-CD1 4.27Å; T48-L51 WeakPolarHBondContact O-CB 3.39Å; T48-L51 WeakPolarHBondContact O-CG 3.42Å; T48-L51 PolarHBondContact O-N 3.4Å
49	S	91.2	Very high	88.1	Confident	63 Å²	63	64 Å²	64	44%	0.441	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-60.4	-24.3	176.9	-55	0	0	0	0	112	Y47 L51 K58	Y47-S49 VanDerWaalsContact C-N 3.32Å; S49-L51 PolarHBondContact O-N 3.49Å; S49-K58 WeakPolarHBondContact O-CD 3.27Å; S49-K58 WeakPolarHBondContact O-CE 3.39Å; S49-K58 PolarHBondContact O-NZ 3.25Å
50	C	91.1	Very high	88.1	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-68.4	-7.7	173.7	73.3	0	0	0	0	114.4	Y47 T48 A55 I59 F72 F225	Y47-C50 HydrophobicContact CD1-CB 3.79Å; Y47-C50 HydrophobicContact CE1-CB 3.73Å; Y47-C50 PolarHBondContact O-SG 3.46Å; T48-C50 PolarHBondContact O-N 2.82Å; T48-C50 VanDerWaalsContact O-N 3.13Å; C50-A55 WeakPolarHBondContact O-CB 3.35Å; C50-I59 HydrophobicContact CB-CD1 3.96Å; C50-F72 HydrophobicContact CB-CE2 4.1Å; C50-F72 HydrophobicContact CB-CZ 4.22Å; C50-F225 HydrophobicContact CB-CD1 4.27Å; C50-F225 HydrophobicContact CB-CE1 4.46Å; C50-F225 WeakPolarHBondContact O-CB 3.2Å
51	L	93	Very high	88.6	Confident	28 Å²	28	61.1 Å²	61.1	15%	0.147	32%	0.323	C	S	.	.			trans	-91.3	153.2	-176.7	-55.6	177.2	0	0	0	112	T48 S49 V74 F225 I227 L230	T48-L51 HydrophobicContact CG2-CD1 4.27Å; T48-L51 WeakPolarHBondContact O-CB 3.39Å; T48-L51 WeakPolarHBondContact O-CG 3.42Å; T48-L51 PolarHBondContact O-N 3.4Å; S49-L51 PolarHBondContact O-N 3.49Å; L51-V74 HydrophobicContact CD1-CG2 4.01Å; L51-V74 HydrophobicContact CD2-CG2 4.16Å; L51-V74 HydrophobicContact CG-CG2 4.25Å; L51-F225 VanDerWaalsContact CA-O 3.25Å; L51-F225 WeakPolarHBondContact CA-O 3.16Å; L51-F225 WeakPolarHBondContact CD2-O 3.44Å; L51-I227 HydrophobicContact CD1-CB 4.47Å; L51-L230 HydrophobicContact CD2-CD1 3.57Å
52	G	89.6	Confident	89.1	Confident	25 Å²	25	59.6 Å²	59.6	26%	0.258	31%	0.312	S	S	.	.	S	Bend	trans	105.4	-169.5	174.1	0	0	0	0	0	114.1	D54 A55 F225 Q226	G52-D54 PolarHBondContact O-N 2.81Å; G52-A55 WeakPolarHBondContact O-CB 3.34Å; G52-A55 PolarHBondContact O-N 2.89Å; G52-F225 PolarHBondContact N-O 2.81Å; G52-F225 VanDerWaalsContact N-O 3.12Å; G52-Q226 PolarHBondContact O-NE2 3.47Å
53	T	82.7	Confident	89.7	Confident	143 Å²	143	52.4 Å²	52.4	88%	0.877	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-34.7	-174.8	49	0	0	0	0	113.2	A55	T53-A55 PolarHBondContact O-N 3.49Å
54	D	86.6	Confident	90.5	Very high	59 Å²	59	54.9 Å²	54.9	32%	0.316	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	13	178.1	-166.1	41	0	0	0	113.3	G52 F56 R57 K58	G52-D54 PolarHBondContact O-N 2.81Å; D54-F56 VanDerWaalsContact C-N 3.28Å; D54-F56 PolarHBondContact O-N 2.97Å; D54-R57 PolarHBondContact O-N 2.98Å; D54-R57 WeakPolarHBondContact OD1-CB 3.49Å; D54-R57 VanDerWaalsContact OD1-CD 3.31Å; D54-R57 WeakPolarHBondContact OD1-CD 3.3Å; D54-R57 IonicContact OD1-CZ 3.61Å; D54-R57 IonicContact OD1-NE 2.9Å; D54-R57 PolarHBondContact OD1-NE 3.37Å; D54-K58 WeakPolarHBondContact O-CG 3.48Å; D54-K58 PolarHBondContact O-N 2.87Å
55	A	90.8	Very high	91.4	Very high	2 Å²	2	52.7 Å²	52.7	2%	0.017	28%	0.276	C	S	.	.	H	α-helix	trans	-54.5	-44.2	-177.3	0	0	0	0	0	112.3	C50 G52 T53 R57 K58 I59 F225	C50-A55 WeakPolarHBondContact O-CB 3.35Å; G52-A55 WeakPolarHBondContact O-CB 3.34Å; G52-A55 PolarHBondContact O-N 2.89Å; T53-A55 PolarHBondContact O-N 3.49Å; A55-R57 VanDerWaalsContact C-N 3.34Å; A55-R57 PolarHBondContact O-N 3.04Å; A55-K58 PolarHBondContact O-N 3.49Å; A55-I59 VanDerWaalsContact O-CG1 3.3Å; A55-I59 WeakPolarHBondContact O-CG1 3.22Å; A55-I59 PolarHBondContact O-N 3.08Å; A55-F225 HydrophobicContact CB-CB 3.52Å; A55-F225 HydrophobicContact CB-CD2 4.44Å; A55-F225 HydrophobicContact CB-CG 4.16Å
56	F	89.7	Confident	91.9	Very high	24 Å²	24	51.9 Å²	51.9	11%	0.105	27%	0.268	C	S	.	.	H	α-helix	trans	-57.7	-45.5	-177.1	179.3	-109.6	0	0	0	112.5	D54 I59 Q60 P348 L349 Y377 F465 I468	D54-F56 VanDerWaalsContact C-N 3.28Å; D54-F56 PolarHBondContact O-N 2.97Å; F56-I59 PolarHBondContact O-N 3.33Å; F56-Q60 HydrophobicContact CE1-CG 4.25Å; F56-Q60 HydrophobicContact CZ-CG 4.21Å; F56-Q60 WeakPolarHBondContact O-CG 3.37Å; F56-Q60 PolarHBondContact O-N 3.45Å; F56-Q60 VanDerWaalsContact O-N 3.08Å; F56-Q60 PolarHBondContact O-NE2 2.9Å; F56-Q60 VanDerWaalsContact O-NE2 3.16Å; F56-P348 HydrophobicContact CD2-CG 4.44Å; F56-P348 HydrophobicContact CE2-CB 3.67Å; F56-P348 HydrophobicContact CE2-CG 3.94Å; F56-P348 HydrophobicContact CZ-CB 3.86Å; F56-P348 HydrophobicContact CZ-CG 4.29Å; F56-L349 HydrophobicContact CD2-CD1 4.1Å; F56-L349 HydrophobicContact CD2-CD2 4.47Å; F56-L349 HydrophobicContact CD2-CG 4.04Å; F56-L349 HydrophobicContact CE2-CD2 4.24Å; F56-L349 HydrophobicContact CE2-CG 4.11Å; F56-Y377 HydrophobicContact CE1-CD1 4.42Å; F56-Y377 HydrophobicContact CE1-CE1 4.49Å; F56-Y377 HydrophobicContact CE2-CD1 4.47Å; F56-Y377 AromaticContact CZ-CD1 3.64Å; F56-Y377 HydrophobicContact CZ-CD1 3.64Å; F56-Y377 HydrophobicContact CZ-CD2 4.34Å; F56-Y377 HydrophobicContact CZ-CE1 4.14Å; F56-Y377 AromaticContact CZ-CG 3.74Å; F56-Y377 HydrophobicContact CZ-CG 3.74Å; F56-F465 AromaticContact CD1-CE2 3.93Å; F56-F465 HydrophobicContact CD1-CE2 3.93Å; F56-F465 HydrophobicContact CD1-CZ 4.37Å; F56-F465 HydrophobicContact CE1-CD2 4.08Å; F56-F465 AromaticContact CE1-CE2 3.57Å; F56-F465 HydrophobicContact CE1-CE2 3.57Å; F56-F465 HydrophobicContact CE1-CZ 4.43Å; F56-I468 HydrophobicContact CD1-CG2 4.37Å; F56-I468 HydrophobicContact CE1-CG2 3.67Å; F56-I468 HydrophobicContact CZ-CG2 3.99Å
57	R	90.1	Very high	92.1	Very high	95 Å²	95	53.2 Å²	53.2	36%	0.358	28%	0.281	S	S	.	.	H	α-helix	trans	-62.8	-49.1	177.9	-177.1	179.8	-63.4	-170.3	-4	112.1	D54 A55 I59 Q60 D61 F465	D54-R57 PolarHBondContact O-N 2.98Å; D54-R57 WeakPolarHBondContact OD1-CB 3.49Å; D54-R57 VanDerWaalsContact OD1-CD 3.31Å; D54-R57 WeakPolarHBondContact OD1-CD 3.3Å; D54-R57 IonicContact OD1-CZ 3.61Å; D54-R57 IonicContact OD1-NE 2.9Å; D54-R57 PolarHBondContact OD1-NE 3.37Å; A55-R57 VanDerWaalsContact C-N 3.34Å; A55-R57 PolarHBondContact O-N 3.04Å; R57-I59 VanDerWaalsContact C-N 3.26Å; R57-I59 PolarHBondContact O-N 2.9Å; R57-Q60 WeakPolarHBondContact O-CA 3.26Å; R57-Q60 WeakPolarHBondContact O-CB 3.5Å; R57-Q60 PolarHBondContact O-N 3.43Å; R57-D61 PolarHBondContact O-N 2.66Å; R57-F465 HydrophobicContact CB-CE1 4.33Å; R57-F465 HydrophobicContact CB-CZ 3.76Å; R57-F465 HydrophobicContact CG-CE1 4Å; R57-F465 HydrophobicContact CG-CZ 3.75Å
58	K	92.3	Very high	92.3	Very high	65 Å²	65	54.9 Å²	54.9	28%	0.283	29%	0.293	S	S	.	.	H	α-helix	trans	-60.4	-38.1	177.9	-63.3	177.9	-171.4	174.4	0	111.9	S49 D54 A55 Q60 D61 L62	S49-K58 WeakPolarHBondContact O-CD 3.27Å; S49-K58 WeakPolarHBondContact O-CE 3.39Å; S49-K58 PolarHBondContact O-NZ 3.25Å; D54-K58 WeakPolarHBondContact O-CG 3.48Å; D54-K58 PolarHBondContact O-N 2.87Å; A55-K58 PolarHBondContact O-N 3.49Å; K58-Q60 VanDerWaalsContact C-N 3.31Å; K58-Q60 PolarHBondContact O-N 3.44Å; K58-D61 PolarHBondContact O-N 3.23Å; K58-L62 WeakPolarHBondContact O-CG 3.28Å; K58-L62 PolarHBondContact O-N 2.84Å
59	I	93.9	Very high	92.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.3	-37.7	172.2	-69.4	-44	0	0	0	111.6	C50 A55 F56 R57 D61 L62 F72 I81 Y83 F225	C50-I59 HydrophobicContact CB-CD1 3.96Å; A55-I59 VanDerWaalsContact O-CG1 3.3Å; A55-I59 WeakPolarHBondContact O-CG1 3.22Å; A55-I59 PolarHBondContact O-N 3.08Å; F56-I59 PolarHBondContact O-N 3.33Å; R57-I59 VanDerWaalsContact C-N 3.26Å; R57-I59 PolarHBondContact O-N 2.9Å; I59-D61 VanDerWaalsContact C-N 3.34Å; I59-L62 HydrophobicContact CD1-CD1 3.98Å; I59-L62 PolarHBondContact O-N 3.27Å; I59-F72 HydrophobicContact CD1-CE1 4.2Å; I59-F72 HydrophobicContact CD1-CZ 3.87Å; I59-I81 HydrophobicContact CB-CD1 4.42Å; I59-I81 HydrophobicContact CD1-CD1 3.52Å; I59-I81 HydrophobicContact CG1-CD1 4.07Å; I59-I81 HydrophobicContact CG2-CD1 3.58Å; I59-I81 HydrophobicContact CG2-CG2 4.32Å; I59-Y83 HydrophobicContact CG2-CE1 4.33Å; I59-Y83 WeakPolarHBondContact O-CE1 3.36Å; I59-Y83 PolarHBondContact O-OH 2.96Å; I59-F225 HydrophobicContact CD1-CE1 4.06Å; I59-F225 HydrophobicContact CD1-CE2 4.32Å; I59-F225 HydrophobicContact CD1-CZ 3.86Å; I59-F225 HydrophobicContact CG1-CD2 4.34Å; I59-F225 HydrophobicContact CG1-CE1 4.43Å; I59-F225 HydrophobicContact CG1-CE2 3.86Å; I59-F225 HydrophobicContact CG1-CZ 3.91Å
60	Q	93.9	Very high	92.8	Very high	18 Å²	18	49.4 Å²	49.4	8%	0.084	26%	0.256	C	S	.	.	H	α-helix	trans	-67.8	-35.7	175.4	-57.6	-34.5	-68.2	0	0	112.1	F56 R57 K58 L62 N63 N375 Y377 F465	F56-Q60 HydrophobicContact CE1-CG 4.25Å; F56-Q60 HydrophobicContact CZ-CG 4.21Å; F56-Q60 WeakPolarHBondContact O-CG 3.37Å; F56-Q60 PolarHBondContact O-N 3.45Å; F56-Q60 VanDerWaalsContact O-N 3.08Å; F56-Q60 PolarHBondContact O-NE2 2.9Å; F56-Q60 VanDerWaalsContact O-NE2 3.16Å; R57-Q60 WeakPolarHBondContact O-CA 3.26Å; R57-Q60 WeakPolarHBondContact O-CB 3.5Å; R57-Q60 PolarHBondContact O-N 3.43Å; K58-Q60 VanDerWaalsContact C-N 3.31Å; K58-Q60 PolarHBondContact O-N 3.44Å; Q60-L62 VanDerWaalsContact C-N 3.31Å; Q60-L62 PolarHBondContact O-N 2.74Å; Q60-N63 WeakPolarHBondContact O-CB 3.18Å; Q60-N63 PolarHBondContact O-N 3.32Å; Q60-N375 PolarHBondContact NE2-ND2 2.96Å; Q60-N375 VanDerWaalsContact NE2-ND2 3.17Å; Q60-N375 PolarHBondContact OE1-ND2 3.49Å; Q60-Y377 HydrophobicContact CG-CD1 4.31Å; Q60-Y377 HydrophobicContact CG-CE1 4.23Å; Q60-F465 HydrophobicContact CB-CE2 4.48Å; Q60-F465 HydrophobicContact CG-CE2 3.81Å
61	D	94.6	Very high	93	Very high	61 Å²	61	50 Å²	50	33%	0.326	26%	0.261	S	S	.	.	H	α-helix	trans	-68.1	-30.6	179.4	-68.9	-31.5	0	0	0	113	R57 K58 I59 N63 K64 I65	R57-D61 PolarHBondContact O-N 2.66Å; K58-D61 PolarHBondContact O-N 3.23Å; I59-D61 VanDerWaalsContact C-N 3.34Å; D61-N63 VanDerWaalsContact C-N 3.26Å; D61-N63 PolarHBondContact O-N 3.16Å; D61-K64 WeakPolarHBondContact O-CB 3.26Å; D61-K64 PolarHBondContact O-N 2.88Å; D61-K64 VanDerWaalsContact O-N 3.16Å; D61-K64 IonicContact OD1-NZ 2.74Å; D61-K64 PolarHBondContact OD1-NZ 3.48Å; D61-I65 PolarHBondContact O-N 2.84Å
62	L	96.1	Very high	93.1	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-59.8	-34.8	174.4	-66.9	-179.9	0	0	0	112.9	P39 Y47 K58 I59 Q60 K64 I65 Y66 V70 F72	P39-L62 HydrophobicContact CB-CD2 4.4Å; P39-L62 HydrophobicContact CG-CD1 4.49Å; P39-L62 HydrophobicContact CG-CD2 3.9Å; Y47-L62 HydrophobicContact CE1-CD1 4.09Å; Y47-L62 HydrophobicContact CE1-CD2 4.27Å; K58-L62 WeakPolarHBondContact O-CG 3.28Å; K58-L62 PolarHBondContact O-N 2.84Å; I59-L62 HydrophobicContact CD1-CD1 3.98Å; I59-L62 PolarHBondContact O-N 3.27Å; Q60-L62 VanDerWaalsContact C-N 3.31Å; Q60-L62 PolarHBondContact O-N 2.74Å; L62-K64 VanDerWaalsContact C-N 3.31Å; L62-K64 PolarHBondContact O-N 3.49Å; L62-I65 PolarHBondContact O-N 3.39Å; L62-Y66 HydrophobicContact CB-CD2 4.38Å; L62-Y66 HydrophobicContact CD2-CD2 4Å; L62-Y66 HydrophobicContact CD2-CE2 3.77Å; L62-Y66 WeakPolarHBondContact O-CD2 3.38Å; L62-Y66 PolarHBondContact O-N 2.87Å; L62-V70 HydrophobicContact CB-CG1 4.24Å; L62-V70 HydrophobicContact CB-CG2 4.45Å; L62-V70 HydrophobicContact CD1-CG1 4.23Å; L62-F72 HydrophobicContact CD1-CD1 4.03Å; L62-F72 HydrophobicContact CD1-CE1 3.71Å
63	N	95.1	Very high	93.3	Very high	46 Å²	46	52.1 Å²	52.1	25%	0.246	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-39.7	176.7	176.4	-122.8	0	0	0	112.3	Q60 D61 I65 G67 Y83	Q60-N63 WeakPolarHBondContact O-CB 3.18Å; Q60-N63 PolarHBondContact O-N 3.32Å; D61-N63 VanDerWaalsContact C-N 3.26Å; D61-N63 PolarHBondContact O-N 3.16Å; N63-I65 PolarHBondContact O-N 3.45Å; N63-G67 PolarHBondContact ND2-O 3.22Å; N63-G67 VanDerWaalsContact O-CA 3.29Å; N63-G67 WeakPolarHBondContact O-CA 3.34Å; N63-G67 PolarHBondContact O-N 3.24Å; N63-Y83 HydrophobicContact CB-CD1 3.46Å; N63-Y83 VanDerWaalsContact CB-CD1 3.46Å; N63-Y83 HydrophobicContact CB-CD2 4.27Å; N63-Y83 HydrophobicContact CB-CE1 3.46Å; N63-Y83 VanDerWaalsContact CB-CE1 3.46Å; N63-Y83 HydrophobicContact CB-CE2 4.28Å; N63-Y83 HydrophobicContact CB-CG 3.87Å; N63-Y83 WeakPolarHBondContact ND2-CB 2.94Å
64	K	93.3	Very high	93.8	Very high	158 Å²	158	45.3 Å²	45.3	69%	0.687	22%	0.221	S	C	*	.	H	α-helix	trans	-65.3	-31.4	179.8	-57.8	173.2	-173.1	158.3	0	112	D61 L62	D61-K64 WeakPolarHBondContact O-CB 3.26Å; D61-K64 PolarHBondContact O-N 2.88Å; D61-K64 VanDerWaalsContact O-N 3.16Å; D61-K64 IonicContact OD1-NZ 2.74Å; D61-K64 PolarHBondContact OD1-NZ 3.48Å; L62-K64 VanDerWaalsContact C-N 3.31Å; L62-K64 PolarHBondContact O-N 3.49Å
65	I	95.3	Very high	94.1	Very high	116 Å²	116	45 Å²	45	60%	0.595	22%	0.219	S	C	*	.	H	α-helix	trans	-90.4	-43.3	-174.7	-59.5	168.4	0	0	0	111.6	D61 L62 N63	D61-I65 PolarHBondContact O-N 2.84Å; L62-I65 PolarHBondContact O-N 3.39Å; N63-I65 PolarHBondContact O-N 3.45Å
66	Y	95.3	Very high	94	Very high	77 Å²	77	48 Å²	48	30%	0.302	25%	0.251	S	S	.	.	H	α-helix	trans	-111.8	-10	-168.3	-61.6	-73.7	0	0	0	114	P37 G38 P39 L62 V70	P37-Y66 HydrophobicContact CB-CD1 4.27Å; P37-Y66 WeakPolarHBondContact CG-O 3.47Å; G38-Y66 VanDerWaalsContact C-CZ 3.48Å; G38-Y66 WeakPolarHBondContact O-CE1 3.46Å; P39-Y66 VanDerWaalsContact CA-OH 3.3Å; P39-Y66 WeakPolarHBondContact CA-OH 3.47Å; P39-Y66 HydrophobicContact CB-CE2 4.16Å; P39-Y66 HydrophobicContact CG-CE2 4.45Å; L62-Y66 HydrophobicContact CB-CD2 4.38Å; L62-Y66 HydrophobicContact CD2-CD2 4Å; L62-Y66 HydrophobicContact CD2-CE2 3.77Å; L62-Y66 WeakPolarHBondContact O-CD2 3.38Å; L62-Y66 PolarHBondContact O-N 2.87Å; Y66-V70 HydrophobicContact CD2-CG1 4.34Å
67	G	95.2	Very high	94.2	Very high	29 Å²	29	49.1 Å²	49.1	30%	0.299	26%	0.256	S	S	.	.			trans	92.9	-154.8	178.5	0	0	0	0	0	114.3	N63 I69	N63-G67 PolarHBondContact ND2-O 3.22Å; N63-G67 VanDerWaalsContact O-CA 3.29Å; N63-G67 WeakPolarHBondContact O-CA 3.34Å; N63-G67 PolarHBondContact O-N 3.24Å; G67-I69 VanDerWaalsContact C-N 3.34Å; G67-I69 PolarHBondContact O-N 3.25Å
68	D	95.9	Very high	94.4	Very high	78 Å²	78	45.8 Å²	45.8	42%	0.417	25%	0.246	S	C	.	.	S	Bend	trans	-79.5	-12.4	-164.5	-68.2	-18.6	0	0	0	115.5	Y83 N84 L87	D68-Y83 PolarHBondContact O-N 3.48Å; D68-N84 HydrophobicContact CB-CB 4.43Å; D68-N84 WeakPolarHBondContact CB-ND2 3.18Å; D68-N84 PolarHBondContact OD2-ND2 3.27Å; D68-L87 HydrophobicContact CB-CD1 3.81Å; D68-L87 VanDerWaalsContact O-CD1 3.22Å; D68-L87 WeakPolarHBondContact O-CD1 3.24Å
69	I	97.4	Very high	94.6	Very high	9 Å²	9	42.7 Å²	42.7	5%	0.046	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	120.9	176.8	-172.9	173.8	0	0	0	109.1	P36 G67 I80 I81 L82 L87 L361 Y364 I366	P36-I69 HydrophobicContact CB-CB 4.4Å; P36-I69 HydrophobicContact CB-CD1 4.01Å; P36-I69 HydrophobicContact CB-CG1 3.69Å; P36-I69 HydrophobicContact CB-CG2 4.18Å; P36-I69 HydrophobicContact CG-CD1 3.57Å; P36-I69 HydrophobicContact CG-CG1 3.75Å; G67-I69 VanDerWaalsContact C-N 3.34Å; G67-I69 PolarHBondContact O-N 3.25Å; I69-I80 HydrophobicContact CD1-CG2 4.32Å; I69-I80 HydrophobicContact CG1-CG2 4.1Å; I69-I81 WeakPolarHBondContact CA-O 3.13Å; I69-L82 HydrophobicContact CB-CD2 4.47Å; I69-L82 HydrophobicContact CD1-CD2 3.81Å; I69-L82 HydrophobicContact CG1-CD2 3.71Å; I69-L87 HydrophobicContact CB-CD1 3.89Å; I69-L87 HydrophobicContact CD1-CD2 4.46Å; I69-L361 HydrophobicContact CD1-CD2 3.87Å; I69-Y364 HydrophobicContact CD1-CD2 4.24Å; I69-Y364 HydrophobicContact CG2-CD2 3.63Å; I69-Y364 HydrophobicContact CG2-CE2 3.46Å; I69-Y364 VanDerWaalsContact CG2-CE2 3.46Å; I69-I366 HydrophobicContact CD1-CD1 4.1Å
70	V	97.1	Very high	94.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	136.8	-175.9	-176.8	0	0	0	0	110.1	P37 L62 Y66 F72 I80 I81 Y83	P37-V70 CarbonylContact O-C 3.51Å; P37-V70 VanDerWaalsContact O-CA 3.23Å; P37-V70 WeakPolarHBondContact O-CA 3.36Å; L62-V70 HydrophobicContact CB-CG1 4.24Å; L62-V70 HydrophobicContact CB-CG2 4.45Å; L62-V70 HydrophobicContact CD1-CG1 4.23Å; Y66-V70 HydrophobicContact CD2-CG1 4.34Å; V70-F72 HydrophobicContact CG1-CD1 4.24Å; V70-I80 CarbonylContact O-C 3.51Å; V70-I80 VanDerWaalsContact O-CA 3.28Å; V70-I80 WeakPolarHBondContact O-CA 3.45Å; V70-I81 PolarHBondContact N-O 2.71Å; V70-I81 PolarHBondContact O-N 3.36Å; V70-Y83 HydrophobicContact CB-CE2 4.01Å; V70-Y83 HydrophobicContact CG2-CD2 4.34Å; V70-Y83 HydrophobicContact CG2-CE2 3.63Å
71	S	95.6	Very high	95	Very high	13 Å²	13	41.8 Å²	41.8	9%	0.091	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	142	171.7	84.8	0	0	0	0	112.8	P36 P37 G38 I79	P36-S71 PolarHBondContact O-OG 2.89Å; P37-S71 PolarHBondContact O-N 2.96Å; G38-S71 VanDerWaalsContact CA-O 3.32Å; G38-S71 WeakPolarHBondContact CA-O 3.47Å; S71-I79 VanDerWaalsContact CA-O 3.3Å; S71-I79 WeakPolarHBondContact CA-O 3.32Å
72	F	94.9	Very high	95.2	Very high	5 Å²	5	38.9 Å²	38.9	2%	0.022	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	158	171.8	53.4	-90	0	0	0	110.4	P39 Y47 C50 I59 L62 V70 V74 I79 I81 F225	P39-F72 HydrophobicContact CG-CB 3.88Å; P39-F72 HydrophobicContact CG-CD1 4.37Å; P39-F72 HydrophobicContact CG-CG 4.33Å; Y47-F72 HydrophobicContact CD1-CD2 4.02Å; Y47-F72 HydrophobicContact CD1-CE2 4.33Å; Y47-F72 HydrophobicContact CD1-CG 4.16Å; C50-F72 HydrophobicContact CB-CE2 4.1Å; C50-F72 HydrophobicContact CB-CZ 4.22Å; I59-F72 HydrophobicContact CD1-CE1 4.2Å; I59-F72 HydrophobicContact CD1-CZ 3.87Å; L62-F72 HydrophobicContact CD1-CD1 4.03Å; L62-F72 HydrophobicContact CD1-CE1 3.71Å; V70-F72 HydrophobicContact CG1-CD1 4.24Å; F72-V74 HydrophobicContact CD2-CG1 4.49Å; F72-V74 HydrophobicContact CE2-CG1 4.3Å; F72-I79 HydrophobicContact CD2-CB 4.29Å; F72-I79 HydrophobicContact CE1-CG2 4.34Å; F72-I79 HydrophobicContact CE2-CB 3.87Å; F72-I79 HydrophobicContact CE2-CD1 4.05Å; F72-I79 HydrophobicContact CE2-CG1 4.36Å; F72-I79 HydrophobicContact CE2-CG2 4.17Å; F72-I79 HydrophobicContact CZ-CB 4.03Å; F72-I79 HydrophobicContact CZ-CG2 3.83Å; F72-I79 PolarHBondContact N-O 3.08Å; F72-I79 PolarHBondContact O-N 3.45Å; F72-I81 HydrophobicContact CE1-CD1 3.73Å; F72-I81 HydrophobicContact CE1-CG1 4.21Å; F72-I81 HydrophobicContact CZ-CD1 3.97Å; F72-F225 HydrophobicContact CE2-CE1 4.29Å; F72-F225 AromaticContact CZ-CE1 3.96Å; F72-F225 HydrophobicContact CZ-CE1 3.96Å; F72-F225 HydrophobicContact CZ-CZ 4.44Å
73	Q	92.9	Very high	95.3	Very high	92 Å²	92	39 Å²	39	43%	0.43	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	145.4	172.6	-67.7	-171.3	-7.5	0	0	110	S41 G46 Y47 K77	S41-Q73 PolarHBondContact OG-N 2.97Å; G46-Q73 CarbonylContact C-O 3.57Å; G46-Q73 WeakPolarHBondContact CA-O 3.29Å; Y47-Q73 PolarHBondContact N-O 3.26Å; Q73-K77 CarbonylContact C-O 3.56Å; Q73-K77 VanDerWaalsContact CA-O 3.27Å; Q73-K77 WeakPolarHBondContact CA-O 3.36Å
74	V	94.2	Very high	95.3	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	125.9	169.6	57.2	0	0	0	0	109.1	I45 L51 F72 G76 K77 I79 L230	I45-V74 WeakPolarHBondContact O-CA 3.5Å; L51-V74 HydrophobicContact CD1-CG2 4.01Å; L51-V74 HydrophobicContact CD2-CG2 4.16Å; L51-V74 HydrophobicContact CG-CG2 4.25Å; F72-V74 HydrophobicContact CD2-CG1 4.49Å; F72-V74 HydrophobicContact CE2-CG1 4.3Å; V74-G76 VanDerWaalsContact C-N 3.26Å; V74-G76 PolarHBondContact O-N 3.32Å; V74-K77 PolarHBondContact N-O 2.75Å; V74-K77 WeakPolarHBondContact O-CB 3.27Å; V74-K77 PolarHBondContact O-N 3.45Å; V74-I79 HydrophobicContact CG1-CD1 3.33Å; V74-I79 HydrophobicContact CG1-CG1 3.89Å; V74-L230 HydrophobicContact CG1-CD1 3.88Å; V74-L230 HydrophobicContact CG2-CD1 4.2Å
75	L	91.8	Very high	95.5	Very high	52 Å²	52	31.6 Å²	31.6	27%	0.272	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	45	179.9	-56	173	0	0	0	113	I45 K77 I227 L230	I45-L75 HydrophobicContact CG2-CD2 4.07Å; I45-L75 PolarHBondContact O-N 2.91Å; L75-K77 PolarHBondContact O-N 3.25Å; L75-I227 HydrophobicContact CD1-CD1 4.48Å; L75-I227 HydrophobicContact CD1-CG1 3.9Å; L75-L230 HydrophobicContact CD1-CB 3.99Å
76	G	89.5	Confident	95.6	Very high	67 Å²	67	30.5 Å²	30.5	69%	0.691	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.9	7.3	-178.5	0	0	0	0	0	115.5	V74	V74-G76 VanDerWaalsContact C-N 3.26Å; V74-G76 PolarHBondContact O-N 3.32Å
77	K	93.5	Very high	95.7	Very high	46 Å²	46	26.9 Å²	26.9	20%	0.2	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	131.6	178	-63.2	169.3	-175.5	-67.9	0	110	Q73 V74 L75 Y102 L230 I371	Q73-K77 CarbonylContact C-O 3.56Å; Q73-K77 VanDerWaalsContact CA-O 3.27Å; Q73-K77 WeakPolarHBondContact CA-O 3.36Å; V74-K77 PolarHBondContact N-O 2.75Å; V74-K77 WeakPolarHBondContact O-CB 3.27Å; V74-K77 PolarHBondContact O-N 3.45Å; L75-K77 PolarHBondContact O-N 3.25Å; K77-Y102 WeakPolarHBondContact CE-OH 3.22Å; K77-Y102 PolarHBondContact NZ-OH 2.9Å; K77-L230 HydrophobicContact CD-CB 4.17Å; K77-L230 HydrophobicContact CD-CD2 3.86Å; K77-L230 WeakPolarHBondContact CE-O 3.36Å; K77-I371 HydrophobicContact CB-CD1 4.18Å; K77-I371 HydrophobicContact CD-CD1 3.92Å; K77-I371 HydrophobicContact CG-CD1 4.43Å
78	T	94.7	Very high	95.8	Very high	25 Å²	25	25.5 Å²	25.5	15%	0.153	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	120.5	170.3	-59.2	0	0	0	0	108.3	I80 P367 S370 I371	T78-I80 HydrophobicContact CG2-CD1 4.48Å; T78-I80 HydrophobicContact CG2-CG1 4.25Å; T78-P367 HydrophobicContact CG2-CG 4.48Å; T78-S370 CarbonylContact O-C 3.39Å; T78-S370 WeakPolarHBondContact O-CA 3.34Å; T78-I371 PolarHBondContact O-N 3.19Å
79	I	97.2	Very high	95.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	134	175.3	-59.7	-171.7	0	0	0	108.3	S71 F72 V74 I81 F225 L230 I371 I373	S71-I79 VanDerWaalsContact CA-O 3.3Å; S71-I79 WeakPolarHBondContact CA-O 3.32Å; F72-I79 HydrophobicContact CD2-CB 4.29Å; F72-I79 HydrophobicContact CE1-CG2 4.34Å; F72-I79 HydrophobicContact CE2-CB 3.87Å; F72-I79 HydrophobicContact CE2-CD1 4.05Å; F72-I79 HydrophobicContact CE2-CG1 4.36Å; F72-I79 HydrophobicContact CE2-CG2 4.17Å; F72-I79 HydrophobicContact CZ-CB 4.03Å; F72-I79 HydrophobicContact CZ-CG2 3.83Å; F72-I79 PolarHBondContact N-O 3.08Å; F72-I79 PolarHBondContact O-N 3.45Å; V74-I79 HydrophobicContact CG1-CD1 3.33Å; V74-I79 HydrophobicContact CG1-CG1 3.89Å; I79-I81 HydrophobicContact CG2-CD1 4.48Å; I79-I81 HydrophobicContact CG2-CG1 4.04Å; I79-F225 HydrophobicContact CD1-CD1 4.49Å; I79-F225 HydrophobicContact CD1-CE1 3.82Å; I79-F225 HydrophobicContact CG2-CE1 4.4Å; I79-F225 HydrophobicContact CG2-CZ 4.39Å; I79-L230 HydrophobicContact CD1-CD2 4.38Å; I79-I371 CarbonylContact C-O 3.58Å; I79-I371 WeakPolarHBondContact CA-O 3.48Å; I79-I371 HydrophobicContact CG1-CB 4.3Å; I79-I373 HydrophobicContact CG2-CG1 4.26Å
80	I	97.9	Very high	95.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	127.7	177	-58.6	174.2	0	0	0	108	P36 I69 V70 T78 L82 I366 I371 L372 I373	P36-I80 HydrophobicContact CG-CG2 4.37Å; I69-I80 HydrophobicContact CD1-CG2 4.32Å; I69-I80 HydrophobicContact CG1-CG2 4.1Å; V70-I80 CarbonylContact O-C 3.51Å; V70-I80 VanDerWaalsContact O-CA 3.28Å; V70-I80 WeakPolarHBondContact O-CA 3.45Å; T78-I80 HydrophobicContact CG2-CD1 4.48Å; T78-I80 HydrophobicContact CG2-CG1 4.25Å; I80-L82 HydrophobicContact CG2-CD2 4.02Å; I80-I366 HydrophobicContact CD1-CB 4.46Å; I80-I366 HydrophobicContact CD1-CD1 3.78Å; I80-I366 HydrophobicContact CD1-CG2 3.78Å; I80-I366 HydrophobicContact CG2-CD1 4.32Å; I80-I371 PolarHBondContact N-O 3.29Å; I80-L372 HydrophobicContact CB-CD1 3.82Å; I80-L372 HydrophobicContact CG2-CD1 3.69Å; I80-L372 WeakPolarHBondContact O-CA 3.42Å; I80-I373 PolarHBondContact O-N 2.79Å
81	I	98.4	Very high	95.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.1	-178.4	-49.6	-174.7	0	0	0	108.7	I59 I69 V70 F72 I79 Y83 F225 I373 N375	I59-I81 HydrophobicContact CB-CD1 4.42Å; I59-I81 HydrophobicContact CD1-CD1 3.52Å; I59-I81 HydrophobicContact CG1-CD1 4.07Å; I59-I81 HydrophobicContact CG2-CD1 3.58Å; I59-I81 HydrophobicContact CG2-CG2 4.32Å; I69-I81 WeakPolarHBondContact CA-O 3.13Å; V70-I81 PolarHBondContact N-O 2.71Å; V70-I81 PolarHBondContact O-N 3.36Å; F72-I81 HydrophobicContact CE1-CD1 3.73Å; F72-I81 HydrophobicContact CE1-CG1 4.21Å; F72-I81 HydrophobicContact CZ-CD1 3.97Å; I79-I81 HydrophobicContact CG2-CD1 4.48Å; I79-I81 HydrophobicContact CG2-CG1 4.04Å; I81-Y83 HydrophobicContact CB-CD2 4.43Å; I81-Y83 HydrophobicContact CB-CE2 3.65Å; I81-Y83 HydrophobicContact CG2-CD2 4.03Å; I81-Y83 HydrophobicContact CG2-CE1 4.04Å; I81-Y83 HydrophobicContact CG2-CE2 3.44Å; I81-Y83 VanDerWaalsContact CG2-CE2 3.44Å; I81-Y83 VanDerWaalsContact CG2-CZ 3.47Å; I81-F225 HydrophobicContact CD1-CZ 4.09Å; I81-I373 WeakPolarHBondContact CA-O 3.29Å; I81-I373 HydrophobicContact CG1-CB 4.29Å; I81-I373 HydrophobicContact CG2-CB 4.48Å; I81-N375 HydrophobicContact CG2-CB 4.1Å
82	L	98.6	Very high	95.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	124.7	178	-49.3	-173.9	0	0	0	108.8	I69 I80 L87 I88 A91 L361 L372 I373 Y374 N375	I69-L82 HydrophobicContact CB-CD2 4.47Å; I69-L82 HydrophobicContact CD1-CD2 3.81Å; I69-L82 HydrophobicContact CG1-CD2 3.71Å; I80-L82 HydrophobicContact CG2-CD2 4.02Å; L82-L87 HydrophobicContact CB-CB 4.17Å; L82-L87 HydrophobicContact CD1-CB 4.27Å; L82-L87 WeakPolarHBondContact CD1-O 3.46Å; L82-L87 HydrophobicContact CD2-CB 4.39Å; L82-I88 HydrophobicContact CB-CD1 4.5Å; L82-I88 HydrophobicContact CB-CG1 3.68Å; L82-I88 HydrophobicContact CD1-CG1 4.25Å; L82-A91 HydrophobicContact CD1-CB 3.62Å; L82-L361 HydrophobicContact CD1-CD2 3.89Å; L82-L361 HydrophobicContact CD2-CD2 3.57Å; L82-L361 HydrophobicContact CG-CD2 4.41Å; L82-L372 HydrophobicContact CD1-CD1 3.89Å; L82-L372 HydrophobicContact CD1-CD2 4.21Å; L82-L372 HydrophobicContact CD1-CG 4.25Å; L82-L372 HydrophobicContact CD2-CD1 3.92Å; L82-L372 HydrophobicContact CG-CD1 3.73Å; L82-L372 HydrophobicContact CG-CG 4.42Å; L82-I373 PolarHBondContact N-O 2.85Å; L82-Y374 HydrophobicContact CD1-CD1 3.88Å; L82-Y374 HydrophobicContact CD1-CE1 3.84Å; L82-Y374 HydrophobicContact CG-CD1 4.36Å; L82-N375 WeakPolarHBondContact O-CB 3.46Å; L82-N375 PolarHBondContact O-N 3.39Å
83	Y	97.9	Very high	96	Very high	5 Å²	5	30.1 Å²	30.1	2%	0.02	17%	0.166	C	C	.	.			trans	-106.9	-10.7	-172.3	-66.9	-95.6	0	0	0	114.7	I59 N63 D68 V70 I81 N375 A378	I59-Y83 HydrophobicContact CG2-CE1 4.33Å; I59-Y83 WeakPolarHBondContact O-CE1 3.36Å; I59-Y83 PolarHBondContact O-OH 2.96Å; N63-Y83 HydrophobicContact CB-CD1 3.46Å; N63-Y83 VanDerWaalsContact CB-CD1 3.46Å; N63-Y83 HydrophobicContact CB-CD2 4.27Å; N63-Y83 HydrophobicContact CB-CE1 3.46Å; N63-Y83 VanDerWaalsContact CB-CE1 3.46Å; N63-Y83 HydrophobicContact CB-CE2 4.28Å; N63-Y83 HydrophobicContact CB-CG 3.87Å; N63-Y83 WeakPolarHBondContact ND2-CB 2.94Å; D68-Y83 PolarHBondContact O-N 3.48Å; V70-Y83 HydrophobicContact CB-CE2 4.01Å; V70-Y83 HydrophobicContact CG2-CD2 4.34Å; V70-Y83 HydrophobicContact CG2-CE2 3.63Å; I81-Y83 HydrophobicContact CB-CD2 4.43Å; I81-Y83 HydrophobicContact CB-CE2 3.65Å; I81-Y83 HydrophobicContact CG2-CD2 4.03Å; I81-Y83 HydrophobicContact CG2-CE1 4.04Å; I81-Y83 HydrophobicContact CG2-CE2 3.44Å; I81-Y83 VanDerWaalsContact CG2-CE2 3.44Å; I81-Y83 VanDerWaalsContact CG2-CZ 3.47Å; Y83-N375 HydrophobicContact CD1-CB 3.92Å; Y83-N375 WeakPolarHBondContact CD1-ND2 3.37Å; Y83-N375 HydrophobicContact CE1-CB 4.31Å; Y83-N375 WeakPolarHBondContact CE1-ND2 3.42Å; Y83-N375 HydrophobicContact CG-CB 4.4Å; Y83-A378 HydrophobicContact CD1-CB 3.81Å; Y83-A378 HydrophobicContact CG-CB 4.41Å; Y83-A378 WeakPolarHBondContact O-CB 3.02Å
84	N	95.5	Very high	96.1	Very high	26 Å²	26	28.7 Å²	28.7	14%	0.139	18%	0.176	C	C	.	.	S	Bend	trans	-122.3	160.2	-179.5	79.8	22.1	0	0	0	112.5	D68 D86 L87 I88	D68-N84 HydrophobicContact CB-CB 4.43Å; D68-N84 WeakPolarHBondContact CB-ND2 3.18Å; D68-N84 PolarHBondContact OD2-ND2 3.27Å; N84-D86 PolarHBondContact OD1-N 2.86Å; N84-L87 VanDerWaalsContact OD1-CB 3.24Å; N84-L87 WeakPolarHBondContact OD1-CB 3.39Å; N84-L87 WeakPolarHBondContact OD1-CD1 3.38Å; N84-L87 WeakPolarHBondContact OD1-CG 3.24Å; N84-L87 PolarHBondContact OD1-N 3.48Å; N84-I88 WeakPolarHBondContact O-CD1 3.27Å; N84-I88 WeakPolarHBondContact O-CG1 3.38Å; N84-I88 PolarHBondContact O-N 3.3Å
85	Y	97.2	Very high	96.1	Very high	24 Å²	24	29.6 Å²	29.6	9%	0.094	18%	0.18	C	C	.	.	H	α-helix	trans	-59.6	-49.6	-175.1	178	-85	0	0	0	111.7	L87 I88 H89 V379 E399 S400 I404 L408	Y85-L87 VanDerWaalsContact C-N 3.34Å; Y85-L87 PolarHBondContact O-N 3.4Å; Y85-I88 CarbonylContact O-C 3.5Å; Y85-I88 PolarHBondContact O-N 2.91Å; Y85-I88 VanDerWaalsContact O-N 3.09Å; Y85-H89 HydrophobicContact CD1-CB 4.23Å; Y85-H89 HydrophobicContact CE1-CB 3.85Å; Y85-H89 WeakPolarHBondContact O-CB 3.36Å; Y85-H89 PolarHBondContact O-N 3.23Å; Y85-V379 HydrophobicContact CD2-CG1 4.41Å; Y85-E399 WeakPolarHBondContact OH-CG 3.37Å; Y85-E399 PolarHBondContact OH-O 3.43Å; Y85-S400 VanDerWaalsContact CD1-CB 3.49Å; Y85-I404 HydrophobicContact CD2-CD1 4.47Å; Y85-I404 HydrophobicContact CD2-CG2 4.19Å; Y85-I404 HydrophobicContact CE2-CG2 3.8Å; Y85-L408 HydrophobicContact CE2-CD1 4.12Å
86	D	96.2	Very high	96.2	Very high	92 Å²	92	33.4 Å²	33.4	49%	0.492	19%	0.191	S	C	.	.	H	α-helix	trans	-60.8	-42.3	-173.4	-58.9	-29.7	0	0	0	112.5	N84 H89 E90	N84-D86 PolarHBondContact OD1-N 2.86Å; D86-H89 PolarHBondContact O-N 3.42Å; D86-E90 VanDerWaalsContact O-CB 3.32Å; D86-E90 WeakPolarHBondContact O-CB 3.44Å; D86-E90 PolarHBondContact O-N 2.93Å
87	L	97.4	Very high	96.5	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-63.2	-44.4	175.9	-74.8	168.9	0	0	0	111.3	D68 I69 L82 N84 Y85 A91 L361 K362	D68-L87 HydrophobicContact CB-CD1 3.81Å; D68-L87 VanDerWaalsContact O-CD1 3.22Å; D68-L87 WeakPolarHBondContact O-CD1 3.24Å; I69-L87 HydrophobicContact CB-CD1 3.89Å; I69-L87 HydrophobicContact CD1-CD2 4.46Å; L82-L87 HydrophobicContact CB-CB 4.17Å; L82-L87 HydrophobicContact CD1-CB 4.27Å; L82-L87 WeakPolarHBondContact CD1-O 3.46Å; L82-L87 HydrophobicContact CD2-CB 4.39Å; N84-L87 VanDerWaalsContact OD1-CB 3.24Å; N84-L87 WeakPolarHBondContact OD1-CB 3.39Å; N84-L87 WeakPolarHBondContact OD1-CD1 3.38Å; N84-L87 WeakPolarHBondContact OD1-CG 3.24Å; N84-L87 PolarHBondContact OD1-N 3.48Å; Y85-L87 VanDerWaalsContact C-N 3.34Å; Y85-L87 PolarHBondContact O-N 3.4Å; L87-A91 VanDerWaalsContact O-CB 3.25Å; L87-A91 WeakPolarHBondContact O-CB 3.38Å; L87-A91 PolarHBondContact O-N 3.45Å; L87-L361 HydrophobicContact CD2-CD2 3.98Å; L87-L361 HydrophobicContact CD2-CG 3.85Å; L87-K362 HydrophobicContact CD2-CD 3.68Å; L87-K362 HydrophobicContact CD2-CG 3.77Å; L87-K362 HydrophobicContact CG-CD 4.4Å
88	I	98.2	Very high	96.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.3	-44.5	178	-68	164.5	0	0	0	109.8	L82 N84 Y85 A91 A92 Y374 V379 I404 L408	L82-I88 HydrophobicContact CB-CD1 4.5Å; L82-I88 HydrophobicContact CB-CG1 3.68Å; L82-I88 HydrophobicContact CD1-CG1 4.25Å; N84-I88 WeakPolarHBondContact O-CD1 3.27Å; N84-I88 WeakPolarHBondContact O-CG1 3.38Å; N84-I88 PolarHBondContact O-N 3.3Å; Y85-I88 CarbonylContact O-C 3.5Å; Y85-I88 PolarHBondContact O-N 2.91Å; Y85-I88 VanDerWaalsContact O-N 3.09Å; I88-A91 PolarHBondContact O-N 3Å; I88-A92 WeakPolarHBondContact O-CB 3.17Å; I88-A92 PolarHBondContact O-N 3.1Å; I88-Y374 HydrophobicContact CB-CD1 4.4Å; I88-Y374 HydrophobicContact CB-CG 4.41Å; I88-Y374 HydrophobicContact CG1-CD1 3.93Å; I88-Y374 HydrophobicContact CG1-CG 4.01Å; I88-Y374 HydrophobicContact CG2-CD1 4.03Å; I88-Y374 HydrophobicContact CG2-CD2 3.79Å; I88-Y374 HydrophobicContact CG2-CE1 4.44Å; I88-Y374 HydrophobicContact CG2-CE2 4.24Å; I88-Y374 HydrophobicContact CG2-CG 3.68Å; I88-V379 HydrophobicContact CD1-CG2 3.57Å; I88-I404 HydrophobicContact CD1-CD1 4.32Å; I88-I404 HydrophobicContact CG2-CD1 4.24Å; I88-L408 HydrophobicContact CG2-CB 4.48Å; I88-L408 HydrophobicContact CG2-CD1 4.22Å
89	H	97.4	Very high	96.8	Very high	76 Å²	76	33.9 Å²	33.9	35%	0.352	18%	0.184	S	C	.	.	H	α-helix	trans	-61.8	-49	178.6	-177.8	-86.4	0	0	0	111.5	Y85 D86 A91 A92 N93 L408	Y85-H89 HydrophobicContact CD1-CB 4.23Å; Y85-H89 HydrophobicContact CE1-CB 3.85Å; Y85-H89 WeakPolarHBondContact O-CB 3.36Å; Y85-H89 PolarHBondContact O-N 3.23Å; D86-H89 PolarHBondContact O-N 3.42Å; H89-A91 PolarHBondContact O-N 3.27Å; H89-A92 PolarHBondContact O-N 2.89Å; H89-N93 PolarHBondContact CD2-ND2 3.17Å; H89-N93 PolarHBondContact NE2-ND2 3.47Å; H89-N93 WeakPolarHBondContact O-CB 3.35Å; H89-N93 PolarHBondContact O-N 3.41Å; H89-L408 HydrophobicContact CB-CD1 4.11Å
90	E	96.9	Very high	96.7	Very high	66 Å²	66	33.9 Å²	33.9	31%	0.308	18%	0.184	S	C	.	.	I	π-helix	trans	-61.1	-43.2	176.7	-173.8	-172.9	153.9	0	0	111.6	D86 G94 N95 L361 K362	D86-E90 VanDerWaalsContact O-CB 3.32Å; D86-E90 WeakPolarHBondContact O-CB 3.44Å; D86-E90 PolarHBondContact O-N 2.93Å; E90-G94 CarbonylContact O-C 3.55Å; E90-G94 WeakPolarHBondContact O-CA 3.22Å; E90-G94 PolarHBondContact O-N 3.32Å; E90-N95 PolarHBondContact O-N 3.39Å; E90-N95 VanDerWaalsContact O-N 3.12Å; E90-N95 PolarHBondContact O-ND2 3.09Å; E90-N95 VanDerWaalsContact O-ND2 3.07Å; E90-L361 HydrophobicContact CB-CD1 3.8Å; E90-L361 HydrophobicContact CG-CD1 3.67Å; E90-K362 PolarHBondContact OE1-N 3.28Å
91	A	97.4	Very high	96.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.186	C	C	.	.	I	π-helix	trans	-69.1	-40.8	177.9	0	0	0	0	0	112.9	L82 L87 I88 H89 N95 L361 L372 Y374	L82-A91 HydrophobicContact CD1-CB 3.62Å; L87-A91 VanDerWaalsContact O-CB 3.25Å; L87-A91 WeakPolarHBondContact O-CB 3.38Å; L87-A91 PolarHBondContact O-N 3.45Å; I88-A91 PolarHBondContact O-N 3Å; H89-A91 PolarHBondContact O-N 3.27Å; A91-N95 WeakPolarHBondContact O-CB 3.16Å; A91-L361 HydrophobicContact CB-CD1 3.98Å; A91-L361 HydrophobicContact CB-CD2 4.27Å; A91-L372 HydrophobicContact CB-CD2 3.82Å; A91-Y374 HydrophobicContact CB-CE1 4.18Å
92	A	97.1	Very high	96.6	Very high	2 Å²	2	35.2 Å²	35.2	2%	0.017	19%	0.189	C	C	.	.	I	π-helix	trans	-81.4	-38.1	-173.1	0	0	0	0	0	112.9	I88 H89 R96 Y374 L408 G409	I88-A92 WeakPolarHBondContact O-CB 3.17Å; I88-A92 PolarHBondContact O-N 3.1Å; H89-A92 PolarHBondContact O-N 2.89Å; A92-R96 WeakPolarHBondContact O-CA 3.32Å; A92-Y374 WeakPolarHBondContact CA-OH 3.45Å; A92-Y374 HydrophobicContact CB-CE2 4.01Å; A92-L408 HydrophobicContact CB-CB 3.72Å; A92-G409 WeakPolarHBondContact O-CA 3.36Å
93	N	95.9	Very high	96.6	Very high	59 Å²	59	35.4 Å²	35.4	32%	0.316	19%	0.19	S	C	.	.	I	π-helix	trans	-104.5	-49.6	-175.9	-64.7	-28.1	0	0	0	111.7	H89 N95 R96 G409	H89-N93 PolarHBondContact CD2-ND2 3.17Å; H89-N93 PolarHBondContact NE2-ND2 3.47Å; H89-N93 WeakPolarHBondContact O-CB 3.35Å; H89-N93 PolarHBondContact O-N 3.41Å; N93-N95 PolarHBondContact O-N 3.33Å; N93-R96 WeakPolarHBondContact O-CB 3.31Å; N93-R96 PolarHBondContact O-N 3.07Å; N93-G409 WeakPolarHBondContact OD1-CA 3.38Å; N93-G409 PolarHBondContact OD1-N 3.39Å
94	G	94.9	Very high	96.5	Very high	61 Å²	61	35.7 Å²	35.7	63%	0.629	19%	0.192	S	C	*	.	I	π-helix	trans	-63.6	-30	178.1	0	0	0	0	0	113.3	E90	E90-G94 CarbonylContact O-C 3.55Å; E90-G94 WeakPolarHBondContact O-CA 3.22Å; E90-G94 PolarHBondContact O-N 3.32Å
95	N	95.2	Very high	96.6	Very high	19 Å²	19	34.4 Å²	34.4	10%	0.102	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	28.2	179.9	-64.8	-81.1	0	0	0	113	E90 A91 N93 S97 K98 V99 F359	E90-N95 PolarHBondContact O-N 3.39Å; E90-N95 VanDerWaalsContact O-N 3.12Å; E90-N95 PolarHBondContact O-ND2 3.09Å; E90-N95 VanDerWaalsContact O-ND2 3.07Å; A91-N95 WeakPolarHBondContact O-CB 3.16Å; N93-N95 PolarHBondContact O-N 3.33Å; N95-S97 VanDerWaalsContact C-N 3.3Å; N95-S97 PolarHBondContact O-N 3.44Å; N95-S97 VanDerWaalsContact O-N 3.09Å; N95-K98 HydrophobicContact CB-CB 4.37Å; N95-K98 WeakPolarHBondContact O-CA 3.49Å; N95-K98 WeakPolarHBondContact O-CB 3.32Å; N95-K98 PolarHBondContact O-N 3.1Å; N95-V99 HydrophobicContact CB-CG2 4.38Å; N95-V99 PolarHBondContact O-N 2.85Å; N95-F359 HydrophobicContact CB-CD1 4.21Å; N95-F359 HydrophobicContact CB-CD2 4.2Å; N95-F359 HydrophobicContact CB-CE1 4.22Å; N95-F359 HydrophobicContact CB-CE2 4.22Å; N95-F359 HydrophobicContact CB-CG 4.21Å; N95-F359 HydrophobicContact CB-CZ 4.24Å; N95-F359 VanDerWaalsContact CG-CD2 3.49Å; N95-F359 VanDerWaalsContact OD1-CB 3.29Å; N95-F359 WeakPolarHBondContact OD1-CB 3.48Å; N95-F359 WeakPolarHBondContact OD1-CG 3.27Å
96	R	93.9	Very high	96.6	Very high	132 Å²	132	33.3 Å²	33.3	50%	0.498	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-38.4	-170.7	-173.7	-178.1	-179.7	95	-2.7	115.6	A92 N93	A92-R96 WeakPolarHBondContact O-CA 3.32Å; N93-R96 WeakPolarHBondContact O-CB 3.31Å; N93-R96 PolarHBondContact O-N 3.07Å
97	S	95.1	Very high	96.5	Very high	91 Å²	91	30.1 Å²	30.1	64%	0.636	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-23.9	179.1	55.8	0	0	0	0	112.9	N95 R356	N95-S97 VanDerWaalsContact C-N 3.3Å; N95-S97 PolarHBondContact O-N 3.44Å; N95-S97 VanDerWaalsContact O-N 3.09Å; S97-R356 WeakPolarHBondContact O-CD 3.38Å; S97-R356 PolarHBondContact O-NH1 2.8Å
98	K	96.8	Very high	96.5	Very high	53 Å²	53	31.2 Å²	31.2	23%	0.23	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-9.1	-175.5	-52.4	-170.9	-177.7	-152.8	0	113.1	N95 R356 E357 F359	N95-K98 HydrophobicContact CB-CB 4.37Å; N95-K98 WeakPolarHBondContact O-CA 3.49Å; N95-K98 WeakPolarHBondContact O-CB 3.32Å; N95-K98 PolarHBondContact O-N 3.1Å; K98-R356 WeakPolarHBondContact O-CB 3.32Å; K98-R356 PolarHBondContact O-N 3.04Å; K98-E357 HydrophobicContact CB-CB 4.3Å; K98-E357 HydrophobicContact CD-CB 4.29Å; K98-E357 WeakPolarHBondContact CE-OE1 3.18Å; K98-E357 HydrophobicContact CG-CB 4.21Å; K98-E357 IonicContact NZ-OE1 2.82Å; K98-E357 PolarHBondContact NZ-OE1 3Å; K98-E357 IonicContact NZ-OE2 3.37Å; K98-F359 HydrophobicContact CB-CD1 4.05Å; K98-F359 HydrophobicContact CB-CE1 4.46Å; K98-F359 HydrophobicContact CD-CB 3.97Å; K98-F359 HydrophobicContact CD-CD1 4.24Å; K98-F359 HydrophobicContact CD-CG 4.48Å
99	V	96.8	Very high	96.5	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.024	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	126.3	180	-176.7	0	0	0	0	110.3	N95 H353 F359	N95-V99 HydrophobicContact CB-CG2 4.38Å; N95-V99 PolarHBondContact O-N 2.85Å; V99-H353 HydrophobicContact CG1-CB 3.57Å; V99-F359 HydrophobicContact CG2-CE1 3.93Å; V99-F359 HydrophobicContact CG2-CZ 4.12Å
100	G	96.7	Very high	96.4	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	-164.6	178.3	0	0	0	0	0	112.6	D120 H353 I354	G100-D120 WeakPolarHBondContact CA-OD1 3.38Å; G100-H353 CarbonylContact O-C 3.55Å; G100-H353 WeakPolarHBondContact O-CA 3.25Å; G100-H353 VanDerWaalsContact O-CB 3.31Å; G100-H353 WeakPolarHBondContact O-CB 3.46Å; G100-H353 PolarHBondContact O-CD2 3.08Å; G100-I354 PolarHBondContact N-O 3.09Å; G100-I354 PolarHBondContact O-N 3.41Å
101	R	97.1	Very high	96.4	Very high	12 Å²	12	25.8 Å²	25.8	5%	0.045	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	128.3	174.2	-177.6	62.5	75.3	-141.3	0.2	112.3	S117 D120 L351 P352 H353 I354 R411	R101-S117 WeakPolarHBondContact CD-O 3.36Å; R101-S117 WeakPolarHBondContact CG-O 3.1Å; R101-S117 PolarHBondContact NE-O 3.14Å; R101-D120 HydrophobicContact CB-CB 4.43Å; R101-D120 PolarHBondContact N-OD1 2.86Å; R101-D120 WeakPolarHBondContact O-CB 3.36Å; R101-L351 PolarHBondContact NH1-O 3.23Å; R101-P352 WeakPolarHBondContact CD-O 3.34Å; R101-P352 PolarHBondContact NH1-O 3.1Å; R101-H353 PolarHBondContact NH1-CD2 2.65Å; R101-H353 PolarHBondContact NH1-CE1 2.95Å; R101-H353 PolarHBondContact NH1-NE2 3.3Å; R101-I354 WeakPolarHBondContact O-CG2 3.43Å; R101-R411 PolarHBondContact NH2-O 3.05Å
102	Y	97.4	Very high	96.3	Very high	17 Å²	17	30.9 Å²	30.9	7%	0.067	17%	0.169	C	C	.	.			trans	-74.2	135.4	171.8	177.7	-104.7	0	0	0	110.5	K77 M104 L224 P352 I354 I371	K77-Y102 WeakPolarHBondContact CE-OH 3.22Å; K77-Y102 PolarHBondContact NZ-OH 2.9Å; Y102-M104 HydrophobicContact CD1-CG 3.97Å; Y102-M104 HydrophobicContact CE1-CG 4.05Å; Y102-L224 HydrophobicContact CD1-CD1 4.06Å; Y102-L224 HydrophobicContact CE1-CD1 3.95Å; Y102-P352 HydrophobicContact CD1-CB 4.05Å; Y102-P352 HydrophobicContact CD1-CG 3.93Å; Y102-P352 HydrophobicContact CG-CB 4.37Å; Y102-P352 PolarHBondContact N-O 2.96Å; Y102-I354 HydrophobicContact CD2-CD1 4.17Å; Y102-I371 HydrophobicContact CD1-CD1 4.08Å; Y102-I371 HydrophobicContact CD2-CD1 3.81Å; Y102-I371 HydrophobicContact CD2-CG1 3.76Å; Y102-I371 HydrophobicContact CE1-CD1 3.85Å; Y102-I371 HydrophobicContact CE2-CD1 3.56Å; Y102-I371 HydrophobicContact CE2-CG1 3.95Å; Y102-I371 HydrophobicContact CG-CD1 4.06Å; Y102-I371 HydrophobicContact CG-CG1 4.08Å; Y102-I371 HydrophobicContact CG-CG2 4.48Å
103	T	97.1	Very high	96.2	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.018	19%	0.193	C	C	.	.			trans	-92.3	112.1	176.3	-55.8	0	0	0	0	109.8	D108 N118 Y119 R233	T103-D108 HydrophobicContact CG2-CB 3.83Å; T103-N118 VanDerWaalsContact CA-O 3.23Å; T103-N118 WeakPolarHBondContact CA-O 3.43Å; T103-N118 WeakPolarHBondContact CB-O 3.43Å; T103-N118 PolarHBondContact OG1-O 2.76Å; T103-Y119 HydrophobicContact CG2-CD1 3.9Å; T103-Y119 HydrophobicContact CG2-CE1 3.58Å; T103-R233 PolarHBondContact OG1-NH2 3.03Å
104	M	96.6	Very high	96.2	Very high	11 Å²	11	32.6 Å²	32.6	5%	0.054	18%	0.178	C	C	.	.			trans	-76.8	136.2	174.7	-73.6	163.4	44.7	0	0	110.6	Y102 N107 D108 N118 N222 L224 Q229 P352	Y102-M104 HydrophobicContact CD1-CG 3.97Å; Y102-M104 HydrophobicContact CE1-CG 4.05Å; M104-N107 HydrophobicContact CB-CB 4.03Å; M104-N107 WeakPolarHBondContact CE-OD1 3.44Å; M104-N107 PolarHBondContact O-N 3.38Å; M104-D108 WeakPolarHBondContact O-CB 3.17Å; M104-D108 PolarHBondContact O-N 3.49Å; M104-N118 PolarHBondContact N-OD1 3.35Å; M104-N118 PolarHBondContact O-ND2 3.27Å; M104-N222 WeakPolarHBondContact CE-O 3.39Å; M104-L224 HydrophobicContact CG-CD1 4.29Å; M104-Q229 HydrophobicContact CE-CG 4.06Å; M104-P352 HydrophobicContact CG-CG 3.98Å; M104-P352 HydrophobicContact SD-CG 3.62Å
105	T	97	Very high	96.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65.5	-44.7	-167.1	-61.2	0	0	0	0	113.9	N107 D108 L109 Q229 L231 C235 V236 F239	T105-N107 VanDerWaalsContact C-N 3.34Å; T105-D108 WeakPolarHBondContact O-CB 2.89Å; T105-D108 PolarHBondContact O-N 3.27Å; T105-L109 PolarHBondContact O-N 3.07Å; T105-L109 VanDerWaalsContact O-N 3.11Å; T105-Q229 VanDerWaalsContact N-OE1 3.16Å; T105-L231 HydrophobicContact CG2-CB 4.38Å; T105-L231 PolarHBondContact OG1-O 3.21Å; T105-C235 HydrophobicContact CG2-CB 4.32Å; T105-V236 HydrophobicContact CG2-CG2 3.89Å; T105-V236 WeakPolarHBondContact O-CG2 3.42Å; T105-F239 HydrophobicContact CG2-CE2 4.24Å
106	V	96.7	Very high	96.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-70.8	-36.2	176.5	180	0	0	0	0	110.2	D108 L109 L110 N222 R228 I251 I254	V106-D108 PolarHBondContact O-N 3.27Å; V106-L109 WeakPolarHBondContact O-CB 3.28Å; V106-L109 PolarHBondContact O-N 2.81Å; V106-L109 VanDerWaalsContact O-N 3.17Å; V106-L110 HydrophobicContact CG1-CD1 4.29Å; V106-L110 HydrophobicContact CG1-CG 4.4Å; V106-L110 VanDerWaalsContact O-CG 3.31Å; V106-L110 WeakPolarHBondContact O-CG 3.46Å; V106-L110 PolarHBondContact O-N 2.9Å; V106-N222 WeakPolarHBondContact CG1-OD1 3.43Å; V106-R228 HydrophobicContact CG2-CB 3.81Å; V106-R228 HydrophobicContact CG2-CG 3.94Å; V106-I251 HydrophobicContact CG1-CG2 3.89Å; V106-I251 HydrophobicContact CG2-CD1 3.96Å; V106-I251 HydrophobicContact CG2-CG1 4.2Å; V106-I254 HydrophobicContact CG1-CG2 4.14Å
107	N	95.6	Very high	96.5	Very high	26 Å²	26	24.4 Å²	24.4	14%	0.139	13%	0.132	C	C	.	.	H	α-helix	trans	-64.4	-34.1	175.1	-67.7	35.1	0	0	0	111.3	M104 T105 L110 A111 N118 N222 Q229	M104-N107 HydrophobicContact CB-CB 4.03Å; M104-N107 WeakPolarHBondContact CE-OD1 3.44Å; M104-N107 PolarHBondContact O-N 3.38Å; T105-N107 VanDerWaalsContact C-N 3.34Å; N107-L110 PolarHBondContact O-N 3.45Å; N107-A111 WeakPolarHBondContact O-CB 3.24Å; N107-A111 PolarHBondContact O-N 3.27Å; N107-N118 HydrophobicContact CB-CB 4.35Å; N107-N118 WeakPolarHBondContact CB-ND2 3.43Å; N107-N222 PolarHBondContact OD1-ND2 3.3Å; N107-Q229 PolarHBondContact OD1-NE2 2.86Å
108	D	97.1	Very high	96.5	Very high	24 Å²	24	20.3 Å²	20.3	13%	0.128	10%	0.103	C	C	.	.	H	α-helix	trans	-65.4	-40.9	174.7	-165.9	27.6	0	0	0	112.1	T103 M104 T105 V106 L110 E112 Y119 V236	T103-D108 HydrophobicContact CG2-CB 3.83Å; M104-D108 WeakPolarHBondContact O-CB 3.17Å; M104-D108 PolarHBondContact O-N 3.49Å; T105-D108 WeakPolarHBondContact O-CB 2.89Å; T105-D108 PolarHBondContact O-N 3.27Å; V106-D108 PolarHBondContact O-N 3.27Å; D108-L110 PolarHBondContact O-N 3.5Å; D108-E112 PolarHBondContact O-N 2.82Å; D108-Y119 VanDerWaalsContact CA-OH 3.31Å; D108-Y119 WeakPolarHBondContact CA-OH 3.34Å; D108-Y119 VanDerWaalsContact OD1-CE1 3.23Å; D108-Y119 WeakPolarHBondContact OD1-CE1 3.45Å; D108-Y119 VanDerWaalsContact OD1-CZ 3.29Å; D108-Y119 PolarHBondContact OD1-OH 3.46Å; D108-V236 HydrophobicContact CB-CG2 4.08Å
109	L	97.2	Very high	96.6	Very high	14 Å²	14	17.9 Å²	17.9	7%	0.073	9%	0.092	C	C	.	.	H	α-helix	trans	-59.3	-44	172.7	176.1	66.5	0	0	0	112.4	T105 V106 V236 F239 K240 I251 I255	T105-L109 PolarHBondContact O-N 3.07Å; T105-L109 VanDerWaalsContact O-N 3.11Å; V106-L109 WeakPolarHBondContact O-CB 3.28Å; V106-L109 PolarHBondContact O-N 2.81Å; V106-L109 VanDerWaalsContact O-N 3.17Å; L109-V236 HydrophobicContact CB-CG1 4.2Å; L109-V236 HydrophobicContact CD1-CG1 4.14Å; L109-F239 HydrophobicContact CD1-CB 4.29Å; L109-F239 HydrophobicContact CD2-CB 3.65Å; L109-F239 HydrophobicContact CD2-CD2 4.42Å; L109-F239 HydrophobicContact CD2-CG 4.41Å; L109-K240 HydrophobicContact CD1-CB 4.49Å; L109-K240 HydrophobicContact CD1-CD 4.37Å; L109-K240 HydrophobicContact CD1-CG 3.41Å; L109-K240 VanDerWaalsContact CD1-CG 3.41Å; L109-I251 HydrophobicContact CD2-CG2 3.97Å; L109-I255 HydrophobicContact CD2-CD1 3.86Å; L109-I255 HydrophobicContact CD2-CG1 4.43Å
110	L	96.8	Very high	96.5	Very high	14 Å²	14	19.5 Å²	19.5	7%	0.073	10%	0.101	C	C	.	.	H	α-helix	trans	-77	-37.7	-177.2	-61.6	174.4	0	0	0	113.4	V106 N107 D108 I254 I255 Y258	V106-L110 HydrophobicContact CG1-CD1 4.29Å; V106-L110 HydrophobicContact CG1-CG 4.4Å; V106-L110 VanDerWaalsContact O-CG 3.31Å; V106-L110 WeakPolarHBondContact O-CG 3.46Å; V106-L110 PolarHBondContact O-N 2.9Å; N107-L110 PolarHBondContact O-N 3.45Å; D108-L110 PolarHBondContact O-N 3.5Å; L110-I254 HydrophobicContact CD1-CG2 3.87Å; L110-I255 HydrophobicContact CD2-CB 4.27Å; L110-I255 HydrophobicContact CD2-CG1 3.62Å; L110-Y258 HydrophobicContact CB-CD1 3.97Å; L110-Y258 HydrophobicContact CB-CE1 3.82Å; L110-Y258 HydrophobicContact CB-CE2 4.44Å; L110-Y258 HydrophobicContact CB-CG 4.29Å; L110-Y258 HydrophobicContact CD1-CD2 4.42Å; L110-Y258 HydrophobicContact CD1-CG 4.17Å; L110-Y258 HydrophobicContact CD2-CD1 3.69Å; L110-Y258 HydrophobicContact CD2-CE1 4.34Å; L110-Y258 HydrophobicContact CD2-CG 3.97Å; L110-Y258 HydrophobicContact CG-CD1 4.26Å; L110-Y258 HydrophobicContact CG-CG 4.36Å; L110-Y258 WeakPolarHBondContact O-CE1 3.45Å; L110-Y258 PolarHBondContact O-OH 3.2Å
111	A	96.3	Very high	96.4	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-89.5	-17.9	-171.7	0	0	0	0	0	113.3	N107 N113 S114 Y119 N293 R297	N107-A111 WeakPolarHBondContact O-CB 3.24Å; N107-A111 PolarHBondContact O-N 3.27Å; A111-N113 PolarHBondContact O-N 3.3Å; A111-S114 WeakPolarHBondContact CB-O 3.31Å; A111-S114 WeakPolarHBondContact O-CB 3.23Å; A111-S114 PolarHBondContact O-N 2.88Å; A111-S114 VanDerWaalsContact O-N 3.13Å; A111-Y119 HydrophobicContact CB-CE2 3.86Å; A111-N293 PolarHBondContact O-ND2 2.91Å; A111-R297 HydrophobicContact CB-CG 4.48Å
112	E	95.2	Very high	96.4	Very high	107 Å²	107	27 Å²	27	50%	0.5	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	51.9	175.3	-59.8	-178.8	-175.8	0	0	112.5	D108 S114 N293	D108-E112 PolarHBondContact O-N 2.82Å; E112-S114 VanDerWaalsContact C-N 3.29Å; E112-S114 PolarHBondContact O-N 3.37Å; E112-N293 PolarHBondContact O-ND2 3.26Å
113	N	94.3	Very high	96.3	Very high	96 Å²	96	29.5 Å²	29.5	51%	0.513	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	26.9	179.9	-162.6	31.3	0	0	0	114.8	A111 Y119	A111-N113 PolarHBondContact O-N 3.3Å; N113-Y119 VanDerWaalsContact CA-OH 3.3Å; N113-Y119 WeakPolarHBondContact CA-OH 3.31Å; N113-Y119 PolarHBondContact N-OH 3.26Å
114	S	97.4	Very high	96.3	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.007	15%	0.151	C	C	.	.			trans	-128	161.4	179	-167.3	0	0	0	0	114.5	A111 E112 Y119 D294	A111-S114 WeakPolarHBondContact CB-O 3.31Å; A111-S114 WeakPolarHBondContact O-CB 3.23Å; A111-S114 PolarHBondContact O-N 2.88Å; A111-S114 VanDerWaalsContact O-N 3.13Å; E112-S114 VanDerWaalsContact C-N 3.29Å; E112-S114 PolarHBondContact O-N 3.37Å; S114-Y119 WeakPolarHBondContact O-CD2 3.32Å; S114-Y119 WeakPolarHBondContact O-CE2 3.38Å; S114-D294 VanDerWaalsContact CB-OD1 3.26Å; S114-D294 WeakPolarHBondContact CB-OD1 3.39Å; S114-D294 WeakPolarHBondContact OG-CA 2.94Å; S114-D294 PolarHBondContact OG-OD1 3.2Å
115	G	97.5	Very high	96.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.157	C	C	.	.			trans	101.5	172.6	-179.7	0	0	0	0	0	113.8	A124	G115-A124 WeakPolarHBondContact O-CB 3.4Å
116	I	97.6	Very high	96.4	Very high	6 Å²	6	34.1 Å²	34.1	3%	0.031	17%	0.174	C	C	.	.	S	Bend	trans	-111.3	-10.5	-171.6	61	164.4	0	0	0	112.8	M127 R128 F131 L298 E301 F302 R411 P414	I116-M127 HydrophobicContact CG2-CB 3.6Å; I116-M127 HydrophobicContact CG2-CE 4.5Å; I116-R128 HydrophobicContact CB-CB 4.03Å; I116-R128 HydrophobicContact CG2-CB 4.01Å; I116-R128 PolarHBondContact O-NH1 3.17Å; I116-F131 HydrophobicContact CD1-CD1 4.12Å; I116-L298 HydrophobicContact CG1-CD2 4.45Å; I116-L298 HydrophobicContact CG2-CD2 3.91Å; I116-E301 WeakPolarHBondContact CG1-OE2 3.49Å; I116-E301 PolarHBondContact N-OE2 2.95Å; I116-F302 HydrophobicContact CD1-CE1 3.84Å; I116-R411 PolarHBondContact O-NH2 3.42Å; I116-P414 HydrophobicContact CD1-CG 4.07Å
117	S	95	Very high	96.4	Very high	33 Å²	33	34.3 Å²	34.3	23%	0.231	18%	0.175	C	C	.	.	S	Bend	trans	-90.2	-39.3	-171.5	72.1	0	0	0	0	114.2	R101 E301	R101-S117 WeakPolarHBondContact CD-O 3.36Å; R101-S117 WeakPolarHBondContact CG-O 3.1Å; R101-S117 PolarHBondContact NE-O 3.14Å; S117-E301 PolarHBondContact N-OE2 3.01Å; S117-E301 VanDerWaalsContact OG-CD 3.27Å; S117-E301 PolarHBondContact OG-OE1 2.9Å
118	N	95.4	Very high	96.5	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.027	17%	0.171	C	C	.	.	S	Bend	trans	-109.2	-1.2	-167.2	-171.2	56.6	0	0	0	114.7	T103 M104 N107	T103-N118 VanDerWaalsContact CA-O 3.23Å; T103-N118 WeakPolarHBondContact CA-O 3.43Å; T103-N118 WeakPolarHBondContact CB-O 3.43Å; T103-N118 PolarHBondContact OG1-O 2.76Å; M104-N118 PolarHBondContact N-OD1 3.35Å; M104-N118 PolarHBondContact O-ND2 3.27Å; N107-N118 HydrophobicContact CB-CB 4.35Å; N107-N118 WeakPolarHBondContact CB-ND2 3.43Å
119	Y	97	Very high	96.5	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.008	19%	0.19	C	C	.	.			trans	-125	150.3	-172.4	-65.4	-75.9	0	0	0	113.3	T103 D108 A111 N113 S114 R411	T103-Y119 HydrophobicContact CG2-CD1 3.9Å; T103-Y119 HydrophobicContact CG2-CE1 3.58Å; D108-Y119 VanDerWaalsContact CA-OH 3.31Å; D108-Y119 WeakPolarHBondContact CA-OH 3.34Å; D108-Y119 VanDerWaalsContact OD1-CE1 3.23Å; D108-Y119 WeakPolarHBondContact OD1-CE1 3.45Å; D108-Y119 VanDerWaalsContact OD1-CZ 3.29Å; D108-Y119 PolarHBondContact OD1-OH 3.46Å; A111-Y119 HydrophobicContact CB-CE2 3.86Å; N113-Y119 VanDerWaalsContact CA-OH 3.3Å; N113-Y119 WeakPolarHBondContact CA-OH 3.31Å; N113-Y119 PolarHBondContact N-OH 3.26Å; S114-Y119 WeakPolarHBondContact O-CD2 3.32Å; S114-Y119 WeakPolarHBondContact O-CE2 3.38Å; Y119-R411 PolarHBondContact O-NH2 2.81Å; Y119-R411 VanDerWaalsContact O-NH2 3.16Å
120	D	95.2	Very high	96.6	Very high	39 Å²	39	37.9 Å²	37.9	21%	0.209	19%	0.187	C	C	.	.			trans	-113.9	14.7	175.7	-153.3	48.6	0	0	0	112.7	G100 R101 R356	G100-D120 WeakPolarHBondContact CA-OD1 3.38Å; R101-D120 HydrophobicContact CB-CB 4.43Å; R101-D120 PolarHBondContact N-OD1 2.86Å; R101-D120 WeakPolarHBondContact O-CB 3.36Å; D120-R356 IonicContact OD1-CZ 2.71Å; D120-R356 IonicContact OD1-NE 2.67Å; D120-R356 IonicContact OD1-NH2 3.17Å; D120-R356 PolarHBondContact OD1-NH2 2.9Å; D120-R356 IonicContact OD2-CZ 3.38Å; D120-R356 VanDerWaalsContact OD2-CZ 3.29Å; D120-R356 IonicContact OD2-NE 3.58Å; D120-R356 PolarHBondContact OD2-NE 2.92Å; D120-R356 IonicContact OD2-NH2 3.53Å; D120-R356 PolarHBondContact OD2-NH2 3Å
121	T	95.5	Very high	96.6	Very high	52 Å²	52	37.6 Å²	37.6	32%	0.319	19%	0.185	S	C	.	.	S	Bend	trans	-71.5	157.9	178.7	60.7	0	0	0	0	110.8	K123 A124 L125	T121-K123 VanDerWaalsContact C-N 3.29Å; T121-K123 PolarHBondContact O-N 2.97Å; T121-A124 PolarHBondContact O-N 3.35Å; T121-A124 WeakPolarHBondContact OG1-CB 3.43Å; T121-A124 PolarHBondContact OG1-N 3.21Å; T121-L125 WeakPolarHBondContact O-CG 3.49Å; T121-L125 PolarHBondContact O-N 3.03Å
122	Q	95.8	Very high	96.5	Very high	118 Å²	118	39.5 Å²	39.5	55%	0.551	20%	0.197	S	C	*	.	H	α-helix	trans	-54.5	-46.8	175.9	-177.5	63.8	14.3	0	0	111.6	A124 L125 E126	Q122-A124 PolarHBondContact O-N 3.47Å; Q122-L125 WeakPolarHBondContact O-CB 3.28Å; Q122-L125 PolarHBondContact O-N 2.93Å; Q122-L125 VanDerWaalsContact O-N 3.13Å; Q122-E126 PolarHBondContact NE2-OE1 2.85Å; Q122-E126 WeakPolarHBondContact O-CG 3.43Å; Q122-E126 PolarHBondContact O-N 3.23Å
123	K	96.5	Very high	96.5	Very high	68 Å²	68	40.3 Å²	40.3	30%	0.296	20%	0.196	S	C	.	.	H	α-helix	trans	-56.5	-47.2	176.5	-169.5	-174.6	-175	-174.4	0	112.4	T121 L125 E126 M127 D294	T121-K123 VanDerWaalsContact C-N 3.29Å; T121-K123 PolarHBondContact O-N 2.97Å; K123-L125 VanDerWaalsContact C-N 3.31Å; K123-L125 PolarHBondContact O-N 3.27Å; K123-E126 PolarHBondContact O-N 3.36Å; K123-M127 HydrophobicContact CG-CE 4.17Å; K123-M127 WeakPolarHBondContact O-CG 3.22Å; K123-M127 PolarHBondContact O-N 2.76Å; K123-D294 WeakPolarHBondContact CE-OD1 3.37Å; K123-D294 IonicContact NZ-OD1 3.76Å; K123-D294 PolarHBondContact NZ-OD1 2.87Å; K123-D294 IonicContact NZ-OD2 3.79Å; K123-D294 PolarHBondContact NZ-OD2 3.25Å
124	A	97.5	Very high	96.4	Very high	1 Å²	1	37 Å²	37	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-64	-36.2	178.3	0	0	0	0	0	112.4	G115 T121 Q122 R128	G115-A124 WeakPolarHBondContact O-CB 3.4Å; T121-A124 PolarHBondContact O-N 3.35Å; T121-A124 WeakPolarHBondContact OG1-CB 3.43Å; T121-A124 PolarHBondContact OG1-N 3.21Å; Q122-A124 PolarHBondContact O-N 3.47Å; A124-R128 VanDerWaalsContact O-CB 3.22Å; A124-R128 WeakPolarHBondContact O-CB 3.24Å; A124-R128 PolarHBondContact O-N 2.97Å
125	L	96.8	Very high	96.2	Very high	34 Å²	34	37 Å²	37	18%	0.178	18%	0.177	C	C	.	.	H	α-helix	trans	-68.1	-39.9	175.2	-72	166	0	0	0	112.1	T121 Q122 K123 K129 R411	T121-L125 WeakPolarHBondContact O-CG 3.49Å; T121-L125 PolarHBondContact O-N 3.03Å; Q122-L125 WeakPolarHBondContact O-CB 3.28Å; Q122-L125 PolarHBondContact O-N 2.93Å; Q122-L125 VanDerWaalsContact O-N 3.13Å; K123-L125 VanDerWaalsContact C-N 3.31Å; K123-L125 PolarHBondContact O-N 3.27Å; L125-K129 WeakPolarHBondContact O-CB 3.45Å; L125-K129 WeakPolarHBondContact O-CG 3.46Å; L125-K129 PolarHBondContact O-N 2.83Å; L125-R411 VanDerWaalsContact CD2-NH1 3.28Å
126	E	97.5	Very high	95.8	Very high	76 Å²	76	41 Å²	41	36%	0.355	20%	0.196	S	C	.	.	H	α-helix	trans	-67.8	-49.4	177.8	-73.6	167.4	167.9	0	0	111.9	Q122 K123 R128 K129 A130 L288	Q122-E126 PolarHBondContact NE2-OE1 2.85Å; Q122-E126 WeakPolarHBondContact O-CG 3.43Å; Q122-E126 PolarHBondContact O-N 3.23Å; K123-E126 PolarHBondContact O-N 3.36Å; E126-R128 VanDerWaalsContact C-N 3.29Å; E126-R128 PolarHBondContact O-N 3.49Å; E126-K129 PolarHBondContact O-N 2.67Å; E126-A130 WeakPolarHBondContact O-CB 3.5Å; E126-A130 PolarHBondContact O-N 2.88Å; E126-L288 HydrophobicContact CB-CD2 4.14Å
127	M	97.9	Very high	95.3	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.02	22%	0.224	C	C	.	.	H	α-helix	trans	-56.7	-44.1	174.1	-70.5	-171.6	-62.2	0	0	111.4	I116 K123 A130 F131 L288 L290 D294 L298	I116-M127 HydrophobicContact CG2-CB 3.6Å; I116-M127 HydrophobicContact CG2-CE 4.5Å; K123-M127 HydrophobicContact CG-CE 4.17Å; K123-M127 WeakPolarHBondContact O-CG 3.22Å; K123-M127 PolarHBondContact O-N 2.76Å; M127-A130 PolarHBondContact O-N 2.8Å; M127-F131 WeakPolarHBondContact O-CB 3.38Å; M127-F131 PolarHBondContact O-N 3.26Å; M127-L288 HydrophobicContact CG-CD2 4.24Å; M127-L290 HydrophobicContact CG-CD2 3.87Å; M127-L290 HydrophobicContact SD-CD2 3.5Å; M127-L290 WeakPolarHBondContact SD-CD2 3.39Å; M127-D294 HydrophobicContact SD-CB 4.46Å; M127-L298 HydrophobicContact SD-CD1 4.18Å
128	R	97.9	Very high	94.5	Very high	18 Å²	18	45.7 Å²	45.7	7%	0.068	22%	0.219	C	C	.	.	H	α-helix	trans	-62.1	-48.3	177	-176.1	-177.4	-169.9	80.7	-0.4	111.8	I116 A124 E126 A130 F131 V132 R411 S412	I116-R128 HydrophobicContact CB-CB 4.03Å; I116-R128 HydrophobicContact CG2-CB 4.01Å; I116-R128 PolarHBondContact O-NH1 3.17Å; A124-R128 VanDerWaalsContact O-CB 3.22Å; A124-R128 WeakPolarHBondContact O-CB 3.24Å; A124-R128 PolarHBondContact O-N 2.97Å; E126-R128 VanDerWaalsContact C-N 3.29Å; E126-R128 PolarHBondContact O-N 3.49Å; R128-A130 VanDerWaalsContact C-N 3.3Å; R128-A130 PolarHBondContact O-N 2.86Å; R128-F131 PolarHBondContact O-N 3.45Å; R128-V132 HydrophobicContact CG-CG2 4.35Å; R128-V132 WeakPolarHBondContact O-CB 3.48Å; R128-V132 WeakPolarHBondContact O-CG2 3.43Å; R128-V132 PolarHBondContact O-N 2.99Å; R128-R411 PolarHBondContact NH2-O 3.27Å; R128-S412 PolarHBondContact NH2-O 3.39Å
129	K	97.2	Very high	93.5	Very high	120 Å²	120	45.8 Å²	45.8	52%	0.522	22%	0.219	S	C	.	.	H	α-helix	trans	-61.2	-41.4	179.6	-76.5	171.9	-179	178.5	0	110.8	L125 E126 R133	L125-K129 WeakPolarHBondContact O-CB 3.45Å; L125-K129 WeakPolarHBondContact O-CG 3.46Å; L125-K129 PolarHBondContact O-N 2.83Å; E126-K129 PolarHBondContact O-N 2.67Å; K129-R133 WeakPolarHBondContact O-CG 3.43Å; K129-R133 PolarHBondContact O-N 3.38Å; K129-R133 PolarHBondContact O-NH1 3.44Å
130	A	97.3	Very high	91.8	Very high	2 Å²	2	48.7 Å²	48.7	2%	0.017	23%	0.232	C	C	.	.	H	α-helix	trans	-60.7	-51.4	175.5	0	0	0	0	0	111.4	E126 M127 R128 V132 R133 L134 L282 L288	E126-A130 WeakPolarHBondContact O-CB 3.5Å; E126-A130 PolarHBondContact O-N 2.88Å; M127-A130 PolarHBondContact O-N 2.8Å; R128-A130 VanDerWaalsContact C-N 3.3Å; R128-A130 PolarHBondContact O-N 2.86Å; A130-V132 PolarHBondContact O-N 3.44Å; A130-R133 WeakPolarHBondContact O-CB 3.46Å; A130-R133 PolarHBondContact O-N 3.48Å; A130-L134 WeakPolarHBondContact O-CG 3.37Å; A130-L134 PolarHBondContact O-N 2.92Å; A130-L282 HydrophobicContact CB-CD2 3.7Å; A130-L288 HydrophobicContact CB-CD1 3.79Å; A130-L288 HydrophobicContact CB-CD2 4.13Å; A130-L288 HydrophobicContact CB-CG 4.42Å
131	F	96.8	Very high	89.7	Confident	7 Å²	7	49.4 Å²	49.4	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-58.2	-46.9	177.4	175.8	-105.2	0	0	0	112.4	I116 M127 R128 R133 L134 V135 L278 L282 F302 P414 I418	I116-F131 HydrophobicContact CD1-CD1 4.12Å; M127-F131 WeakPolarHBondContact O-CB 3.38Å; M127-F131 PolarHBondContact O-N 3.26Å; R128-F131 PolarHBondContact O-N 3.45Å; F131-R133 VanDerWaalsContact C-N 3.34Å; F131-R133 PolarHBondContact O-N 2.96Å; F131-L134 WeakPolarHBondContact O-CB 3.45Å; F131-L134 PolarHBondContact O-N 2.77Å; F131-L134 VanDerWaalsContact O-N 3.16Å; F131-V135 HydrophobicContact CD1-CG2 4.25Å; F131-V135 HydrophobicContact CD2-CG2 4.23Å; F131-V135 HydrophobicContact CE1-CG2 3.79Å; F131-V135 HydrophobicContact CE2-CG2 3.78Å; F131-V135 HydrophobicContact CG-CG2 4.46Å; F131-V135 HydrophobicContact CZ-CG2 3.55Å; F131-V135 WeakPolarHBondContact O-CG2 3.47Å; F131-V135 PolarHBondContact O-N 3.24Å; F131-L278 HydrophobicContact CE2-CD1 4.27Å; F131-L282 HydrophobicContact CB-CD1 4.32Å; F131-L282 HydrophobicContact CB-CD2 4.37Å; F131-L282 HydrophobicContact CD2-CD1 4.18Å; F131-F302 HydrophobicContact CB-CZ 4.38Å; F131-F302 HydrophobicContact CD1-CE1 4.08Å; F131-F302 AromaticContact CD2-CE1 3.65Å; F131-F302 HydrophobicContact CD2-CE1 3.65Å; F131-F302 HydrophobicContact CD2-CE2 4.11Å; F131-F302 AromaticContact CD2-CZ 3.41Å; F131-F302 HydrophobicContact CD2-CZ 3.41Å; F131-F302 VanDerWaalsContact CD2-CZ 3.41Å; F131-F302 HydrophobicContact CE1-CE1 4.07Å; F131-F302 HydrophobicContact CE2-CD1 4.05Å; F131-F302 AromaticContact CE2-CE1 3.62Å; F131-F302 HydrophobicContact CE2-CE1 3.62Å; F131-F302 HydrophobicContact CE2-CE2 4.21Å; F131-F302 AromaticContact CE2-CZ 3.71Å; F131-F302 HydrophobicContact CE2-CZ 3.71Å; F131-F302 AromaticContact CG-CE1 3.88Å; F131-F302 HydrophobicContact CG-CE1 3.88Å; F131-F302 AromaticContact CG-CZ 3.84Å; F131-F302 HydrophobicContact CG-CZ 3.84Å; F131-F302 HydrophobicContact CZ-CD1 4.07Å; F131-F302 AromaticContact CZ-CE1 3.83Å; F131-F302 HydrophobicContact CZ-CE1 3.83Å; F131-F302 HydrophobicContact CZ-CZ 4.39Å; F131-P414 HydrophobicContact CD1-CB 3.85Å; F131-P414 HydrophobicContact CD1-CG 4.29Å; F131-P414 HydrophobicContact CE1-CB 3.86Å; F131-P414 HydrophobicContact CE1-CG 4.07Å; F131-I418 HydrophobicContact CZ-CD1 4.42Å
132	V	96.1	Very high	87.4	Confident	41 Å²	41	52 Å²	52	25%	0.248	25%	0.253	C	S	.	.	H	α-helix	trans	-60.1	-43.2	177.3	170.8	0	0	0	0	111.2	R128 A130 L134 V135 H136 P414	R128-V132 HydrophobicContact CG-CG2 4.35Å; R128-V132 WeakPolarHBondContact O-CB 3.48Å; R128-V132 WeakPolarHBondContact O-CG2 3.43Å; R128-V132 PolarHBondContact O-N 2.99Å; A130-V132 PolarHBondContact O-N 3.44Å; V132-L134 VanDerWaalsContact C-N 3.34Å; V132-L134 PolarHBondContact O-N 2.94Å; V132-V135 PolarHBondContact O-N 3.46Å; V132-H136 WeakPolarHBondContact O-CB 3.29Å; V132-H136 PolarHBondContact O-CD2 2.84Å; V132-H136 PolarHBondContact O-N 2.84Å; V132-P414 HydrophobicContact CG2-CB 3.6Å
133	R	94.6	Very high	85	Confident	124 Å²	124	54.9 Å²	54.9	47%	0.468	27%	0.267	S	S	.	.	H	α-helix	trans	-59.5	-44.5	174.9	-74.7	-171.2	-53.6	-91.6	4.1	111.9	K129 A130 F131 H136 N137	K129-R133 WeakPolarHBondContact O-CG 3.43Å; K129-R133 PolarHBondContact O-N 3.38Å; K129-R133 PolarHBondContact O-NH1 3.44Å; A130-R133 WeakPolarHBondContact O-CB 3.46Å; A130-R133 PolarHBondContact O-N 3.48Å; F131-R133 VanDerWaalsContact C-N 3.34Å; F131-R133 PolarHBondContact O-N 2.96Å; R133-H136 PolarHBondContact O-N 2.79Å; R133-N137 WeakPolarHBondContact O-CB 3.42Å; R133-N137 PolarHBondContact O-N 2.95Å; R133-N137 PolarHBondContact O-OD1 2.98Å
134	L	92.8	Very high	82.5	Confident	26 Å²	26	56.4 Å²	56.4	14%	0.136	28%	0.275	C	S	.	.	H	α-helix	trans	-61.8	-45.5	178	-67.9	177.2	0	0	0	111.4	A130 F131 V132 H136 N137 N138 L278 Q281 L282	A130-L134 WeakPolarHBondContact O-CG 3.37Å; A130-L134 PolarHBondContact O-N 2.92Å; F131-L134 WeakPolarHBondContact O-CB 3.45Å; F131-L134 PolarHBondContact O-N 2.77Å; F131-L134 VanDerWaalsContact O-N 3.16Å; V132-L134 VanDerWaalsContact C-N 3.34Å; V132-L134 PolarHBondContact O-N 2.94Å; L134-H136 VanDerWaalsContact C-N 3.35Å; L134-H136 PolarHBondContact O-N 2.8Å; L134-N137 PolarHBondContact O-N 3.22Å; L134-N138 VanDerWaalsContact O-CB 3.24Å; L134-N138 WeakPolarHBondContact O-CB 3.46Å; L134-N138 PolarHBondContact O-N 3.46Å; L134-N138 VanDerWaalsContact O-N 3.08Å; L134-N138 PolarHBondContact O-ND2 3.31Å; L134-L278 HydrophobicContact CB-CD2 4.21Å; L134-Q281 HydrophobicContact CD1-CB 3.83Å; L134-Q281 HydrophobicContact CD2-CB 4.01Å; L134-L282 HydrophobicContact CD1-CD2 3.58Å; L134-L282 HydrophobicContact CD1-CG 3.63Å
135	V	92	Very high	79.7	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.006	31%	0.309	C	S	.	.	H	α-helix	trans	-60.1	-45	175.7	171.1	0	0	0	0	111	F131 V132 I139 R417 I418	F131-V135 HydrophobicContact CD1-CG2 4.25Å; F131-V135 HydrophobicContact CD2-CG2 4.23Å; F131-V135 HydrophobicContact CE1-CG2 3.79Å; F131-V135 HydrophobicContact CE2-CG2 3.78Å; F131-V135 HydrophobicContact CG-CG2 4.46Å; F131-V135 HydrophobicContact CZ-CG2 3.55Å; F131-V135 WeakPolarHBondContact O-CG2 3.47Å; F131-V135 PolarHBondContact O-N 3.24Å; V132-V135 PolarHBondContact O-N 3.46Å; V135-I139 HydrophobicContact CG1-CD1 3.72Å; V135-I139 HydrophobicContact CG1-CG1 4.49Å; V135-I139 VanDerWaalsContact O-CB 3.31Å; V135-I139 WeakPolarHBondContact O-CB 3Å; V135-I139 VanDerWaalsContact O-CG1 3.23Å; V135-I139 WeakPolarHBondContact O-CG1 3.27Å; V135-I139 PolarHBondContact O-N 2.87Å; V135-I139 VanDerWaalsContact O-N 3.1Å; V135-R417 HydrophobicContact CG1-CB 4.01Å; V135-I418 HydrophobicContact CG1-CD1 4.37Å; V135-I418 HydrophobicContact CG1-CG1 4.21Å; V135-I418 HydrophobicContact CG2-CD1 3.95Å
136	H	89.3	Confident	77	Confident	84 Å²	84	71.6 Å²	71.6	39%	0.389	34%	0.344	S	S	.	.	H	α-helix	trans	-64.9	-42.8	179.2	-86.6	-107.3	0	0	0	113.1	V132 R133 L134 N138 R417	V132-H136 WeakPolarHBondContact O-CB 3.29Å; V132-H136 PolarHBondContact O-CD2 2.84Å; V132-H136 PolarHBondContact O-N 2.84Å; R133-H136 PolarHBondContact O-N 2.79Å; L134-H136 VanDerWaalsContact C-N 3.35Å; L134-H136 PolarHBondContact O-N 2.8Å; H136-N138 VanDerWaalsContact C-N 3.32Å; H136-N138 PolarHBondContact O-N 3.47Å; H136-R417 VanDerWaalsContact CE1-CZ 3.46Å; H136-R417 PolarHBondContact CE1-NE 3.4Å; H136-R417 VanDerWaalsContact CE1-NE 3.33Å; H136-R417 PolarHBondContact CE1-NH2 2.92Å; H136-R417 PolarHBondContact ND1-NE 3.27Å; H136-R417 PolarHBondContact ND1-NH1 2.85Å; H136-R417 PolarHBondContact ND1-NH2 2.85Å; H136-R417 VanDerWaalsContact ND1-NH2 3.15Å; H136-R417 PolarHBondContact O-NH1 2.97Å
137	N	86.4	Confident	74.3	Confident	115 Å²	115	70.9 Å²	70.9	62%	0.615	36%	0.358	S	S	*	.	H	α-helix	trans	-72.6	-27.3	-177.3	-69.3	-7.3	0	0	0	112.9	R133 L134	R133-N137 WeakPolarHBondContact O-CB 3.42Å; R133-N137 PolarHBondContact O-N 2.95Å; R133-N137 PolarHBondContact O-OD1 2.98Å; L134-N137 PolarHBondContact O-N 3.22Å
138	N	79	Confident	71.4	Confident	23 Å²	23	77.4 Å²	77.4	12%	0.123	39%	0.393	C	S	.	.	H	α-helix	trans	-102.9	-8.8	-172.6	-70.5	-58.6	0	0	0	114.2	L134 H136 P152 F153	L134-N138 VanDerWaalsContact O-CB 3.24Å; L134-N138 WeakPolarHBondContact O-CB 3.46Å; L134-N138 PolarHBondContact O-N 3.46Å; L134-N138 VanDerWaalsContact O-N 3.08Å; L134-N138 PolarHBondContact O-ND2 3.31Å; H136-N138 VanDerWaalsContact C-N 3.32Å; H136-N138 PolarHBondContact O-N 3.47Å; N138-P152 VanDerWaalsContact O-CB 3.29Å; N138-P152 WeakPolarHBondContact O-CB 3.42Å; N138-F153 HydrophobicContact CB-CB 3.84Å; N138-F153 WeakPolarHBondContact OD1-CB 3.45Å
139	I	73.8	Confident	68.5	Low	6 Å²	6	86.7 Å²	86.7	3%	0.031	43%	0.434	C	S	.	.			trans	-121.8	98.3	178.7	-50.4	-178.3	0	0	0	108.1	V135 I154 R417 I418 L421	V135-I139 HydrophobicContact CG1-CD1 3.72Å; V135-I139 HydrophobicContact CG1-CG1 4.49Å; V135-I139 VanDerWaalsContact O-CB 3.31Å; V135-I139 WeakPolarHBondContact O-CB 3Å; V135-I139 VanDerWaalsContact O-CG1 3.23Å; V135-I139 WeakPolarHBondContact O-CG1 3.27Å; V135-I139 PolarHBondContact O-N 2.87Å; V135-I139 VanDerWaalsContact O-N 3.1Å; I139-I154 HydrophobicContact CD1-CD1 3.47Å; I139-I154 VanDerWaalsContact CD1-CD1 3.47Å; I139-I154 HydrophobicContact CD1-CG1 4.37Å; I139-I154 HydrophobicContact CG1-CD1 3.43Å; I139-I154 VanDerWaalsContact CG1-CD1 3.43Å; I139-I154 HydrophobicContact CG1-CG1 3.85Å; I139-R417 HydrophobicContact CB-CB 4.46Å; I139-R417 HydrophobicContact CD1-CB 4.24Å; I139-R417 HydrophobicContact CG2-CB 4.25Å; I139-R417 PolarHBondContact O-NH1 2.73Å; I139-I418 HydrophobicContact CD1-CB 4.14Å; I139-I418 HydrophobicContact CD1-CD1 4.2Å; I139-I418 HydrophobicContact CD1-CG1 3.14Å; I139-L421 HydrophobicContact CG2-CD1 4.1Å
140	K	62	Low	65.7	Low	64 Å²	64	87 Å²	87	28%	0.278	44%	0.441	S	S	.	.			trans	-79.2	125.7	166.9	-70.3	179.1	173.4	171.4	0	108.5	N148 L150	K140-N148 PolarHBondContact NZ-O 3.39Å; K140-L150 PolarHBondContact NZ-O 3.19Å
141	T	51.1	Low	63.1	Low	54 Å²	54	95.7 Å²	95.7	33%	0.331	48%	0.481	S	S	.	.			trans	-73.6	153.5	164.2	47.9	0	0	0	0	108.5	E143 E144	T141-E143 PolarHBondContact O-N 3.12Å; T141-E144 PolarHBondContact O-N 2.95Å; T141-E144 VanDerWaalsContact O-N 3.07Å
142	T	47.6	Very low	60.8	Low	106 Å²	106	98.5 Å²	98.5	65%	0.65	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-18.4	177.9	36	0	0	0	0	114.1	H145	T142-H145 PolarHBondContact O-CD2 2.94Å
143	E	43.8	Very low	58.6	Low	179 Å²	179	99.2 Å²	99.2	84%	0.836	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-18.9	178.3	-64.3	-179.6	168.8	0	0	114.2	T141 H145	T141-E143 PolarHBondContact O-N 3.12Å; E143-H145 PolarHBondContact O-N 3.32Å
144	E	45.2	Very low	57	Low	100 Å²	100	94.2 Å²	94.2	47%	0.467	48%	0.482	S	S	.	.			trans	-91.4	36.5	-178.1	-66.7	179.9	-177.8	0	0	112.6	T141 E146	T141-E144 PolarHBondContact O-N 2.95Å; T141-E144 VanDerWaalsContact O-N 3.07Å; E144-E146 PolarHBondContact O-N 2.96Å; E144-E146 VanDerWaalsContact O-N 3.16Å
145	H	39.3	Very low	55.8	Low	156 Å²	156	95 Å²	95	72%	0.722	49%	0.489	S	S	*	.			trans	-77.3	17.2	-177.9	-89.3	-44.7	0	0	0	115.2	T142 E143	T142-H145 PolarHBondContact O-CD2 2.94Å; E143-H145 PolarHBondContact O-N 3.32Å
146	E	40.3	Very low	55.4	Low	197 Å²	197	98.2 Å²	98.2	92%	0.921	51%	0.505	S	S	*	.	S	Bend	trans	-140.3	90	175.5	-80.5	-176.4	-173.9	0	0	112.1	E144	E144-E146 PolarHBondContact O-N 2.96Å; E144-E146 VanDerWaalsContact O-N 3.16Å
147	G	39.4	Very low	55.3	Low	62 Å²	62	100.1 Å²	100.1	64%	0.639	52%	0.518	S	S	*	.	S	Bend	trans	129.1	116.6	165.2	0	0	0	0	0	114.2
148	N	36.5	Very low	55.4	Low	141 Å²	141	96.9 Å²	96.9	75%	0.754	50%	0.5	S	S	*	.			trans	77.4	100	175	-60.2	-22.9	0	0	0	116.9	K140 L150	K140-N148 PolarHBondContact NZ-O 3.39Å; N148-L150 PolarHBondContact O-N 2.64Å
149	K	37.2	Very low	56.1	Low	212 Å²	212	96 Å²	96	92%	0.922	50%	0.495	S	S	*	.			trans	-69.1	53.1	170.2	-65.7	-179.4	177	177.9	0	113.6	Q151	K149-Q151 PolarHBondContact O-N 3.35Å
150	L	39.3	Very low	57.1	Low	128 Å²	128	98.9 Å²	98.9	67%	0.67	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-66.9	116.8	155.2	-72.1	168.8	0	0	0	106.6	K140 N148 P152	K140-L150 PolarHBondContact NZ-O 3.19Å; N148-L150 PolarHBondContact O-N 2.64Å; L150-P152 WeakPolarHBondContact O-CD 3.42Å
151	Q	42.8	Very low	58.6	Low	183 Å²	183	98.1 Å²	98.1	86%	0.855	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-59.8	121.2	171.5	-68.1	-175.9	20.5	0	0	107.2	K149 F153	K149-Q151 PolarHBondContact O-N 3.35Å; Q151-F153 PolarHBondContact O-N 3.31Å
152	P	48	Very low	60.8	Low	67 Å²	67	97.2 Å²	97.2	44%	0.435	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-60.3	133.1	175.8	-9.7	20.3	0	0	0	109.3	N138 L150 I154	N138-P152 VanDerWaalsContact O-CB 3.29Å; N138-P152 WeakPolarHBondContact O-CB 3.42Å; L150-P152 WeakPolarHBondContact O-CD 3.42Å; P152-I154 PolarHBondContact O-N 2.9Å
153	F	50.3	Low	63.1	Low	55 Å²	55	92.7 Å²	92.7	24%	0.241	48%	0.48	C	S	.	.	S	Bend	trans	-64.9	-22	177.7	-179.9	-98.1	0	0	0	112.6	N138 Q151 S155 D276 L278	N138-F153 HydrophobicContact CB-CB 3.84Å; N138-F153 WeakPolarHBondContact OD1-CB 3.45Å; Q151-F153 PolarHBondContact O-N 3.31Å; F153-S155 PolarHBondContact O-N 2.97Å; F153-D276 HydrophobicContact CD2-CB 4.16Å; F153-D276 VanDerWaalsContact CD2-O 3.28Å; F153-D276 WeakPolarHBondContact CD2-O 2.91Å; F153-D276 VanDerWaalsContact CE1-O 3.28Å; F153-D276 WeakPolarHBondContact CE1-O 3.41Å; F153-D276 HydrophobicContact CE2-CB 3.44Å; F153-D276 VanDerWaalsContact CE2-CB 3.44Å; F153-D276 WeakPolarHBondContact CE2-O 3.28Å; F153-D276 HydrophobicContact CZ-CB 4.2Å; F153-D276 WeakPolarHBondContact CZ-O 3.38Å; F153-L278 HydrophobicContact CD1-CD2 4.44Å
154	I	60	Low	65.6	Low	20 Å²	20	89.2 Å²	89.2	10%	0.103	47%	0.467	C	S	.	.	S	Bend	trans	-64.2	106.1	168.6	-59	-152.5	0	0	0	108	I139 P152 Q156 I159 L195	I139-I154 HydrophobicContact CD1-CD1 3.47Å; I139-I154 VanDerWaalsContact CD1-CD1 3.47Å; I139-I154 HydrophobicContact CD1-CG1 4.37Å; I139-I154 HydrophobicContact CG1-CD1 3.43Å; I139-I154 VanDerWaalsContact CG1-CD1 3.43Å; I139-I154 HydrophobicContact CG1-CG1 3.85Å; P152-I154 PolarHBondContact O-N 2.9Å; I154-Q156 VanDerWaalsContact C-N 3.29Å; I154-Q156 PolarHBondContact O-N 3.16Å; I154-I159 HydrophobicContact CG2-CD1 3.27Å; I154-I159 HydrophobicContact CG2-CG1 4.1Å; I154-L195 HydrophobicContact CD1-CD1 3.93Å; I154-L195 HydrophobicContact CD1-CD2 4.08Å; I154-L195 HydrophobicContact CG1-CD1 3.66Å
155	S	68.8	Low	68.1	Low	41 Å²	41	87.7 Å²	87.7	29%	0.287	46%	0.46	S	S	.	.			trans	-64.5	94.1	171.9	-174.2	0	0	0	0	108.4	F153 N157 I158 I159	F153-S155 PolarHBondContact O-N 2.97Å; S155-N157 PolarHBondContact O-N 3.08Å; S155-I158 WeakPolarHBondContact O-CB 3.33Å; S155-I158 PolarHBondContact O-N 3.17Å; S155-I159 PolarHBondContact O-N 3.48Å
156	Q	84.2	Confident	70.8	Confident	70 Å²	70	80.4 Å²	80.4	33%	0.327	43%	0.426	S	S	.	.	H	α-helix	trans	-51.8	-30.2	172.5	-172.5	60.1	48.9	0	0	110.4	I154 I158 I159 N160 Q425	I154-Q156 VanDerWaalsContact C-N 3.29Å; I154-Q156 PolarHBondContact O-N 3.16Å; Q156-I158 VanDerWaalsContact C-N 3.27Å; Q156-I158 PolarHBondContact O-N 2.85Å; Q156-I159 PolarHBondContact O-N 3.39Å; Q156-N160 PolarHBondContact NE2-OD1 2.9Å; Q156-N160 VanDerWaalsContact O-CB 3.25Å; Q156-N160 WeakPolarHBondContact O-CB 3.5Å; Q156-N160 PolarHBondContact O-N 3.05Å; Q156-N160 PolarHBondContact O-ND2 3.47Å; Q156-N160 PolarHBondContact O-OD1 2.8Å; Q156-Q425 VanDerWaalsContact OE1-NE2 3.16Å
157	N	87	Confident	73.4	Confident	124 Å²	124	71.5 Å²	71.5	66%	0.663	39%	0.385	S	S	*	.	H	α-helix	trans	-56.7	-39.8	173.3	-61.8	-16.7	0	0	0	112.4	S155 A161	S155-N157 PolarHBondContact O-N 3.08Å; N157-A161 VanDerWaalsContact O-CB 3.27Å; N157-A161 WeakPolarHBondContact O-CB 3.16Å; N157-A161 PolarHBondContact O-N 3.42Å
158	I	88.3	Confident	76.1	Confident	47 Å²	47	74 Å²	74	24%	0.241	38%	0.375	C	S	.	.	H	α-helix	trans	-78.4	-41	-177.2	-65.3	172.3	0	0	0	110.4	S155 Q156 N160 A161 Q162 N194	S155-I158 WeakPolarHBondContact O-CB 3.33Å; S155-I158 PolarHBondContact O-N 3.17Å; Q156-I158 VanDerWaalsContact C-N 3.27Å; Q156-I158 PolarHBondContact O-N 2.85Å; I158-N160 VanDerWaalsContact C-N 3.34Å; I158-N160 PolarHBondContact O-N 3.07Å; I158-A161 PolarHBondContact O-N 3.37Å; I158-Q162 WeakPolarHBondContact O-CG 3.38Å; I158-Q162 PolarHBondContact O-N 2.91Å; I158-N194 WeakPolarHBondContact CD1-ND2 3.49Å; I158-N194 WeakPolarHBondContact CD1-OD1 3.36Å; I158-N194 HydrophobicContact CG2-CB 3.81Å
159	I	92.8	Very high	78.8	Confident	4 Å²	4	69.5 Å²	69.5	2%	0.021	35%	0.349	C	S	.	.	H	α-helix	trans	-57.7	-50.8	171.5	-63.2	-179.6	0	0	0	109.9	I154 S155 Q156 A161 Q162 I163 I191 L421 L422	I154-I159 HydrophobicContact CG2-CD1 3.27Å; I154-I159 HydrophobicContact CG2-CG1 4.1Å; S155-I159 PolarHBondContact O-N 3.48Å; Q156-I159 PolarHBondContact O-N 3.39Å; I159-A161 VanDerWaalsContact C-N 3.33Å; I159-A161 PolarHBondContact O-N 3.15Å; I159-Q162 PolarHBondContact O-N 3.3Å; I159-I163 HydrophobicContact CG2-CD1 3.62Å; I159-I163 HydrophobicContact CG2-CG1 4.24Å; I159-I163 WeakPolarHBondContact O-CB 3.32Å; I159-I163 WeakPolarHBondContact O-CG1 3.19Å; I159-I163 PolarHBondContact O-N 2.9Å; I159-I191 HydrophobicContact CD1-CG2 4.45Å; I159-I191 HydrophobicContact CG1-CG2 3.83Å; I159-I191 HydrophobicContact CG2-CD1 4.33Å; I159-L421 HydrophobicContact CD1-CD2 3.53Å; I159-L422 HydrophobicContact CD1-CD2 3.76Å; I159-L422 HydrophobicContact CG1-CD2 4.17Å; I159-L422 HydrophobicContact CG2-CD2 4.3Å
160	N	94.4	Very high	81.4	Confident	67 Å²	67	59.6 Å²	59.6	36%	0.358	31%	0.306	S	S	.	.	H	α-helix	trans	-59.4	-41.8	178.1	-70.5	-8.7	0	0	0	112.1	Q156 I158 Q162 I163 N164	Q156-N160 PolarHBondContact NE2-OD1 2.9Å; Q156-N160 VanDerWaalsContact O-CB 3.25Å; Q156-N160 WeakPolarHBondContact O-CB 3.5Å; Q156-N160 PolarHBondContact O-N 3.05Å; Q156-N160 PolarHBondContact O-ND2 3.47Å; Q156-N160 PolarHBondContact O-OD1 2.8Å; I158-N160 VanDerWaalsContact C-N 3.34Å; I158-N160 PolarHBondContact O-N 3.07Å; N160-Q162 PolarHBondContact O-N 3.47Å; N160-I163 PolarHBondContact O-N 3.03Å; N160-N164 VanDerWaalsContact O-CB 3.29Å; N160-N164 WeakPolarHBondContact O-CB 3.38Å; N160-N164 PolarHBondContact O-N 3.08Å; N160-N164 PolarHBondContact O-ND2 2.94Å
161	A	94.9	Very high	84	Confident	48 Å²	48	59.7 Å²	59.7	40%	0.397	30%	0.298	S	S	.	.	H	α-helix	trans	-61.6	-44	177.5	0	0	0	0	0	112	N157 I158 I159 N164 E165	N157-A161 VanDerWaalsContact O-CB 3.27Å; N157-A161 WeakPolarHBondContact O-CB 3.16Å; N157-A161 PolarHBondContact O-N 3.42Å; I158-A161 PolarHBondContact O-N 3.37Å; I159-A161 VanDerWaalsContact C-N 3.33Å; I159-A161 PolarHBondContact O-N 3.15Å; A161-N164 PolarHBondContact O-N 3.33Å; A161-E165 PolarHBondContact O-N 3.48Å
162	Q	96.3	Very high	86.3	Confident	35 Å²	35	55.8 Å²	55.8	16%	0.164	28%	0.282	C	S	.	.	H	α-helix	trans	-70.8	-37.1	178.2	-61.8	-49.2	-58.1	0	0	112.4	I158 I159 N160 E165 L166 T187 R190 I191	I158-Q162 WeakPolarHBondContact O-CG 3.38Å; I158-Q162 PolarHBondContact O-N 2.91Å; I159-Q162 PolarHBondContact O-N 3.3Å; N160-Q162 PolarHBondContact O-N 3.47Å; Q162-E165 PolarHBondContact O-N 3.24Å; Q162-L166 PolarHBondContact O-N 3.25Å; Q162-T187 HydrophobicContact CB-CG2 4.2Å; Q162-R190 HydrophobicContact CG-CB 4.06Å; Q162-R190 VanDerWaalsContact OE1-CB 3.3Å; Q162-I191 HydrophobicContact CB-CD1 3.95Å; Q162-I191 HydrophobicContact CB-CG1 3.62Å; Q162-I191 HydrophobicContact CG-CG1 3.7Å
163	I	96.7	Very high	88.1	Confident	10 Å²	10	56.4 Å²	56.4	5%	0.051	28%	0.276	C	S	.	.	H	α-helix	trans	-62.5	-47.6	172.3	-71.4	175.3	0	0	0	110.3	I159 N160 E165 L166 I167 Q425 I426 A429	I159-I163 HydrophobicContact CG2-CD1 3.62Å; I159-I163 HydrophobicContact CG2-CG1 4.24Å; I159-I163 WeakPolarHBondContact O-CB 3.32Å; I159-I163 WeakPolarHBondContact O-CG1 3.19Å; I159-I163 PolarHBondContact O-N 2.9Å; N160-I163 PolarHBondContact O-N 3.03Å; I163-E165 VanDerWaalsContact C-N 3.28Å; I163-E165 PolarHBondContact O-N 3.47Å; I163-L166 WeakPolarHBondContact O-CA 3.49Å; I163-L166 WeakPolarHBondContact O-CB 3.24Å; I163-L166 PolarHBondContact O-N 3.1Å; I163-L166 VanDerWaalsContact O-N 3.08Å; I163-I167 HydrophobicContact CG2-CG1 4.27Å; I163-I167 WeakPolarHBondContact O-CG1 3.41Å; I163-I167 PolarHBondContact O-N 2.94Å; I163-Q425 HydrophobicContact CD1-CB 3.87Å; I163-I426 HydrophobicContact CD1-CG1 4.03Å; I163-I426 HydrophobicContact CG1-CG1 3.88Å; I163-A429 HydrophobicContact CG2-CB 3.33Å
164	N	96.9	Very high	89.7	Confident	107 Å²	107	61.8 Å²	61.8	57%	0.572	30%	0.301	S	S	*	.	H	α-helix	trans	-60.6	-38.9	178.9	-73	-20.7	0	0	0	111.9	N160 A161 I167 R168	N160-N164 VanDerWaalsContact O-CB 3.29Å; N160-N164 WeakPolarHBondContact O-CB 3.38Å; N160-N164 PolarHBondContact O-N 3.08Å; N160-N164 PolarHBondContact O-ND2 2.94Å; A161-N164 PolarHBondContact O-N 3.33Å; N164-I167 PolarHBondContact O-N 3.45Å; N164-R168 WeakPolarHBondContact O-CB 3.33Å; N164-R168 PolarHBondContact O-N 2.87Å
165	E	96.1	Very high	90.7	Very high	67 Å²	67	61.6 Å²	61.6	31%	0.313	30%	0.304	S	S	.	.	H	α-helix	trans	-64.4	-43.4	173.5	178	55.1	-159.2	0	0	111.7	A161 Q162 I163 I167 R168 Q169	A161-E165 PolarHBondContact O-N 3.48Å; Q162-E165 PolarHBondContact O-N 3.24Å; I163-E165 VanDerWaalsContact C-N 3.28Å; I163-E165 PolarHBondContact O-N 3.47Å; E165-I167 PolarHBondContact O-N 3.03Å; E165-R168 VanDerWaalsContact CD-NH2 3.33Å; E165-R168 WeakPolarHBondContact O-CB 3.46Å; E165-R168 PolarHBondContact O-N 3.42Å; E165-R168 IonicContact OE1-CZ 3.77Å; E165-R168 IonicContact OE1-NE 3.86Å; E165-R168 IonicContact OE1-NH2 2.68Å; E165-R168 PolarHBondContact OE1-NH2 2.92Å; E165-R168 IonicContact OE2-CZ 3.15Å; E165-R168 IonicContact OE2-NE 2.65Å; E165-R168 PolarHBondContact OE2-NE 3.2Å; E165-R168 IonicContact OE2-NH2 3.61Å; E165-R168 PolarHBondContact OE2-NH2 3.16Å; E165-Q169 HydrophobicContact CG-CG 4.45Å; E165-Q169 WeakPolarHBondContact O-CB 3.44Å; E165-Q169 WeakPolarHBondContact O-CG 3.4Å; E165-Q169 PolarHBondContact O-N 3.44Å; E165-Q169 WeakPolarHBondContact OE1-CG 3.34Å; E165-Q169 PolarHBondContact OE1-NE2 3.04Å
166	L	96.6	Very high	91.4	Very high	4 Å²	4	66.4 Å²	66.4	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-57.9	-48	173.3	172.2	63.4	0	0	0	111.9	Q162 I163 R168 Q169 L170 L183 M184 T187 I426 I430	Q162-L166 PolarHBondContact O-N 3.25Å; I163-L166 WeakPolarHBondContact O-CA 3.49Å; I163-L166 WeakPolarHBondContact O-CB 3.24Å; I163-L166 PolarHBondContact O-N 3.1Å; I163-L166 VanDerWaalsContact O-N 3.08Å; L166-R168 VanDerWaalsContact C-N 3.34Å; L166-R168 PolarHBondContact O-N 3.22Å; L166-Q169 WeakPolarHBondContact O-CB 3.16Å; L166-Q169 PolarHBondContact O-N 3.46Å; L166-L170 HydrophobicContact CD1-CD1 4.2Å; L166-L170 HydrophobicContact CD1-CG 4.33Å; L166-L170 HydrophobicContact CG-CD1 4.28Å; L166-L170 WeakPolarHBondContact O-CG 3.39Å; L166-L170 PolarHBondContact O-N 3.31Å; L166-L183 HydrophobicContact CD1-CB 3.92Å; L166-M184 HydrophobicContact CD1-CE 4.22Å; L166-M184 HydrophobicContact CD2-CE 4.05Å; L166-M184 HydrophobicContact CD2-SD 4.13Å; L166-T187 HydrophobicContact CB-CG2 4.18Å; L166-T187 HydrophobicContact CD2-CG2 4.13Å; L166-I426 HydrophobicContact CD2-CG2 3.81Å; L166-I430 HydrophobicContact CD2-CD1 4.22Å; L166-I430 HydrophobicContact CD2-CG1 4.41Å
167	I	95.5	Very high	91.4	Very high	9 Å²	9	66.6 Å²	66.6	5%	0.046	33%	0.327	C	S	.	.	H	α-helix	trans	-60.8	-43.9	177.2	-61.5	-58.5	0	0	0	110.5	I163 N164 E165 Q169 L170 R171 A429 I430 E433 F434	I163-I167 HydrophobicContact CG2-CG1 4.27Å; I163-I167 WeakPolarHBondContact O-CG1 3.41Å; I163-I167 PolarHBondContact O-N 2.94Å; N164-I167 PolarHBondContact O-N 3.45Å; E165-I167 PolarHBondContact O-N 3.03Å; I167-Q169 VanDerWaalsContact C-N 3.35Å; I167-Q169 PolarHBondContact O-N 3.36Å; I167-L170 PolarHBondContact O-N 2.75Å; I167-R171 HydrophobicContact CG2-CG 4.46Å; I167-R171 WeakPolarHBondContact O-CG 3.43Å; I167-R171 PolarHBondContact O-N 3.5Å; I167-A429 HydrophobicContact CD1-CB 4.07Å; I167-A429 WeakPolarHBondContact CD1-O 3.32Å; I167-A429 HydrophobicContact CG1-CB 4.41Å; I167-I430 HydrophobicContact CD1-CG1 4.45Å; I167-E433 HydrophobicContact CD1-CB 4.41Å; I167-E433 HydrophobicContact CD1-CG 4.39Å; I167-E433 HydrophobicContact CG2-CG 4.26Å; I167-F434 HydrophobicContact CB-CE2 4.47Å; I167-F434 HydrophobicContact CD1-CD2 4.29Å; I167-F434 HydrophobicContact CD1-CE2 3.65Å; I167-F434 HydrophobicContact CG2-CE2 3.99Å; I167-F434 HydrophobicContact CG2-CZ 4.13Å
168	R	95.4	Very high	91.3	Very high	116 Å²	116	60.9 Å²	60.9	44%	0.438	30%	0.297	S	S	.	.	H	α-helix	trans	-59.3	-45.7	176.1	-170.7	-172.1	73.1	85.2	0.5	111.6	N164 E165 L166 L170 R171 I172	N164-R168 WeakPolarHBondContact O-CB 3.33Å; N164-R168 PolarHBondContact O-N 2.87Å; E165-R168 VanDerWaalsContact CD-NH2 3.33Å; E165-R168 WeakPolarHBondContact O-CB 3.46Å; E165-R168 PolarHBondContact O-N 3.42Å; E165-R168 IonicContact OE1-CZ 3.77Å; E165-R168 IonicContact OE1-NE 3.86Å; E165-R168 IonicContact OE1-NH2 2.68Å; E165-R168 PolarHBondContact OE1-NH2 2.92Å; E165-R168 IonicContact OE2-CZ 3.15Å; E165-R168 IonicContact OE2-NE 2.65Å; E165-R168 PolarHBondContact OE2-NE 3.2Å; E165-R168 IonicContact OE2-NH2 3.61Å; E165-R168 PolarHBondContact OE2-NH2 3.16Å; L166-R168 VanDerWaalsContact C-N 3.34Å; L166-R168 PolarHBondContact O-N 3.22Å; R168-L170 VanDerWaalsContact C-N 3.32Å; R168-L170 PolarHBondContact O-N 3.5Å; R168-R171 PolarHBondContact O-N 2.85Å; R168-I172 HydrophobicContact CG-CD1 4.11Å; R168-I172 WeakPolarHBondContact O-CG1 3.34Å; R168-I172 PolarHBondContact O-N 3.45Å; R168-I172 VanDerWaalsContact O-N 3.08Å
169	Q	93.4	Very high	91.2	Very high	45 Å²	45	61.5 Å²	61.5	21%	0.21	30%	0.301	C	S	.	.	H	α-helix	trans	-59.9	-41.1	177.3	-75	-71.2	-18.9	0	0	111.9	E165 L166 I167 R173 L183	E165-Q169 HydrophobicContact CG-CG 4.45Å; E165-Q169 WeakPolarHBondContact O-CB 3.44Å; E165-Q169 WeakPolarHBondContact O-CG 3.4Å; E165-Q169 PolarHBondContact O-N 3.44Å; E165-Q169 WeakPolarHBondContact OE1-CG 3.34Å; E165-Q169 PolarHBondContact OE1-NE2 3.04Å; L166-Q169 WeakPolarHBondContact O-CB 3.16Å; L166-Q169 PolarHBondContact O-N 3.46Å; I167-Q169 VanDerWaalsContact C-N 3.35Å; I167-Q169 PolarHBondContact O-N 3.36Å; Q169-R173 VanDerWaalsContact C-NH1 3.29Å; Q169-R173 WeakPolarHBondContact O-CG 3.45Å; Q169-R173 PolarHBondContact O-NH1 3.12Å; Q169-L183 HydrophobicContact CB-CD2 4.42Å
170	L	92.4	Very high	91.1	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.021	30%	0.3	C	S	.	.	H	α-helix	trans	-68.2	-45.1	175.9	-70.4	173.4	0	0	0	112	L166 I167 R168 I172 R173 V178 L183 I430 F434 I478	L166-L170 HydrophobicContact CD1-CD1 4.2Å; L166-L170 HydrophobicContact CD1-CG 4.33Å; L166-L170 HydrophobicContact CG-CD1 4.28Å; L166-L170 WeakPolarHBondContact O-CG 3.39Å; L166-L170 PolarHBondContact O-N 3.31Å; I167-L170 PolarHBondContact O-N 2.75Å; R168-L170 VanDerWaalsContact C-N 3.32Å; R168-L170 PolarHBondContact O-N 3.5Å; L170-I172 VanDerWaalsContact C-N 3.34Å; L170-I172 PolarHBondContact O-N 3.3Å; L170-R173 PolarHBondContact O-N 3.48Å; L170-R173 VanDerWaalsContact O-N 3.09Å; L170-V178 HydrophobicContact CD2-CG1 4.36Å; L170-V178 HydrophobicContact CD2-CG2 4.07Å; L170-L183 HydrophobicContact CD2-CD1 3.62Å; L170-L183 HydrophobicContact CG-CD1 4.44Å; L170-I430 HydrophobicContact CD1-CG1 4.41Å; L170-F434 HydrophobicContact CB-CE1 3.8Å; L170-F434 HydrophobicContact CB-CE2 3.75Å; L170-F434 HydrophobicContact CB-CZ 3.32Å; L170-F434 HydrophobicContact CD1-CD2 4.13Å; L170-F434 HydrophobicContact CD1-CE2 3.78Å; L170-F434 HydrophobicContact CD1-CZ 4.26Å; L170-F434 HydrophobicContact CG-CE2 4.43Å; L170-F434 HydrophobicContact CG-CZ 4.43Å; L170-I478 HydrophobicContact CD1-CD1 4.35Å; L170-I478 HydrophobicContact CD2-CB 4.47Å; L170-I478 HydrophobicContact CD2-CD1 3.74Å; L170-I478 HydrophobicContact CD2-CG2 4.48Å
171	R	92.2	Very high	90.8	Very high	131 Å²	131	59.2 Å²	59.2	49%	0.494	29%	0.288	S	S	.	.	H	α-helix	trans	-57.7	-43.3	177.7	-74.2	-178.4	-177.4	150.7	-2.9	112.8	I167 R168 R173 Q174 E433 F434	I167-R171 HydrophobicContact CG2-CG 4.46Å; I167-R171 WeakPolarHBondContact O-CG 3.43Å; I167-R171 PolarHBondContact O-N 3.5Å; R168-R171 PolarHBondContact O-N 2.85Å; R171-R173 PolarHBondContact O-N 3.43Å; R171-Q174 PolarHBondContact O-N 3.46Å; R171-Q174 VanDerWaalsContact O-N 3.11Å; R171-E433 IonicContact CZ-OE2 2.97Å; R171-E433 IonicContact NE-OE2 3.83Å; R171-E433 IonicContact NH2-OE1 3.76Å; R171-E433 PolarHBondContact NH2-OE1 3.41Å; R171-E433 VanDerWaalsContact NH2-OE1 3.1Å; R171-E433 IonicContact NH2-OE2 3.39Å; R171-E433 PolarHBondContact NH2-OE2 3.37Å; R171-F434 HydrophobicContact CG-CE1 4Å; R171-F434 HydrophobicContact CG-CZ 3.76Å
172	I	91.5	Very high	90.6	Very high	101 Å²	101	60.5 Å²	60.5	52%	0.518	29%	0.286	S	S	.	.	H	α-helix	trans	-62.4	-27.7	-180	-70.3	167	0	0	0	112.1	R168 L170 Q174	R168-I172 HydrophobicContact CG-CD1 4.11Å; R168-I172 WeakPolarHBondContact O-CG1 3.34Å; R168-I172 PolarHBondContact O-N 3.45Å; R168-I172 VanDerWaalsContact O-N 3.08Å; L170-I172 VanDerWaalsContact C-N 3.34Å; L170-I172 PolarHBondContact O-N 3.3Å; I172-Q174 VanDerWaalsContact C-N 3.26Å; I172-Q174 PolarHBondContact O-N 2.83Å
173	R	86.8	Confident	90.5	Very high	80 Å²	80	59.7 Å²	59.7	30%	0.302	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-11.3	179.8	-68.8	175.3	173.1	77.3	-5.1	113.1	Q169 L170 R171 G175 K176 V178	Q169-R173 VanDerWaalsContact C-NH1 3.29Å; Q169-R173 WeakPolarHBondContact O-CG 3.45Å; Q169-R173 PolarHBondContact O-NH1 3.12Å; L170-R173 PolarHBondContact O-N 3.48Å; L170-R173 VanDerWaalsContact O-N 3.09Å; R171-R173 PolarHBondContact O-N 3.43Å; R173-G175 PolarHBondContact O-N 3.09Å; R173-K176 VanDerWaalsContact O-CB 3.22Å; R173-K176 WeakPolarHBondContact O-CB 3.35Å; R173-K176 VanDerWaalsContact O-CG 3.26Å; R173-K176 WeakPolarHBondContact O-CG 3.13Å; R173-K176 PolarHBondContact O-N 3.02Å; R173-V178 HydrophobicContact CB-CG1 4.14Å; R173-V178 HydrophobicContact CG-CG1 4.37Å
174	Q	84.3	Confident	90.5	Very high	168 Å²	168	59.3 Å²	59.3	79%	0.785	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	49.5	169.5	-64.9	-177.5	-21.2	0	0	114.3	R171 I172 K176	R171-Q174 PolarHBondContact O-N 3.46Å; R171-Q174 VanDerWaalsContact O-N 3.11Å; I172-Q174 VanDerWaalsContact C-N 3.26Å; I172-Q174 PolarHBondContact O-N 2.83Å; Q174-K176 VanDerWaalsContact C-N 3.28Å; Q174-K176 PolarHBondContact O-N 3.43Å
175	G	79.4	Confident	90.4	Very high	15 Å²	15	54.7 Å²	54.7	16%	0.155	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	13.8	179.6	0	0	0	0	0	114.8	R173 T477 I478	R173-G175 PolarHBondContact O-N 3.09Å; G175-T477 WeakPolarHBondContact O-CG2 3.21Å; G175-I478 WeakPolarHBondContact CA-O 3.42Å
176	K	84.4	Confident	90.5	Very high	143 Å²	143	52 Å²	52	62%	0.622	24%	0.243	S	C	*	.			trans	-76	149.4	167.3	-68.2	176.3	-178.3	177.2	0	110.3	R173 Q174 V178	R173-K176 VanDerWaalsContact O-CB 3.22Å; R173-K176 WeakPolarHBondContact O-CB 3.35Å; R173-K176 VanDerWaalsContact O-CG 3.26Å; R173-K176 WeakPolarHBondContact O-CG 3.13Å; R173-K176 PolarHBondContact O-N 3.02Å; Q174-K176 VanDerWaalsContact C-N 3.28Å; Q174-K176 PolarHBondContact O-N 3.43Å; K176-V178 WeakPolarHBondContact O-CG1 3.32Å; K176-V178 PolarHBondContact O-N 3.33Å
177	P	83.6	Confident	90.5	Very high	74 Å²	74	52.2 Å²	52.2	48%	0.481	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	136.5	173.4	-23.2	32.1	0	0	0	111.6	I439 V475	P177-I439 HydrophobicContact CB-CD1 3.94Å; P177-I439 HydrophobicContact CB-CG1 4.42Å; P177-I439 HydrophobicContact CG-CD1 4.34Å; P177-I439 HydrophobicContact CG-CG1 4.49Å; P177-V475 HydrophobicContact CB-CG1 3.54Å
178	V	85.6	Confident	90.6	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.024	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	142.9	-176.8	-43.8	0	0	0	0	110.4	L170 R173 K176 V180 L183 V475 I476 I478	L170-V178 HydrophobicContact CD2-CG1 4.36Å; L170-V178 HydrophobicContact CD2-CG2 4.07Å; R173-V178 HydrophobicContact CB-CG1 4.14Å; R173-V178 HydrophobicContact CG-CG1 4.37Å; K176-V178 WeakPolarHBondContact O-CG1 3.32Å; K176-V178 PolarHBondContact O-N 3.33Å; V178-V180 HydrophobicContact CG2-CG2 3.77Å; V178-V180 PolarHBondContact O-N 2.8Å; V178-V180 VanDerWaalsContact O-N 3.12Å; V178-L183 HydrophobicContact CB-CD1 4.16Å; V178-L183 HydrophobicContact CG2-CD1 4.1Å; V178-V475 WeakPolarHBondContact O-CA 3.48Å; V178-I476 PolarHBondContact N-O 3.23Å; V178-I476 PolarHBondContact O-N 3.34Å; V178-I476 VanDerWaalsContact O-N 3.16Å; V178-I478 HydrophobicContact CG2-CD1 3.79Å; V178-I478 HydrophobicContact CG2-CG1 4.07Å
179	N	86.1	Confident	90.8	Very high	60 Å²	60	46.3 Å²	46.3	32%	0.321	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	94.5	167.3	-176	-21.1	0	0	0	108.6	L181 Q182 L183 S474	N179-L181 VanDerWaalsContact C-N 3.3Å; N179-L181 PolarHBondContact O-N 3.49Å; N179-L181 PolarHBondContact OD1-N 2.95Å; N179-Q182 HydrophobicContact CB-CB 4.2Å; N179-Q182 PolarHBondContact O-N 2.74Å; N179-Q182 PolarHBondContact OD1-N 3.38Å; N179-Q182 VanDerWaalsContact OD1-N 3.09Å; N179-L183 PolarHBondContact O-N 2.87Å; N179-S474 WeakPolarHBondContact CA-O 3.48Å; N179-S474 WeakPolarHBondContact OD1-CB 3.06Å; N179-S474 PolarHBondContact OD1-OG 3.11Å
180	V	90	Very high	90.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.4	-42.7	-176.6	176.8	0	0	0	0	110.4	V178 Q182 L183 M184 T315 C318 S474 I476 I478	V178-V180 HydrophobicContact CG2-CG2 3.77Å; V178-V180 PolarHBondContact O-N 2.8Å; V178-V180 VanDerWaalsContact O-N 3.12Å; V180-Q182 VanDerWaalsContact C-N 3.34Å; V180-Q182 PolarHBondContact O-N 3.2Å; V180-L183 PolarHBondContact O-N 3.43Å; V180-M184 HydrophobicContact CG1-CE 3.9Å; V180-M184 HydrophobicContact CG1-CG 3.96Å; V180-M184 WeakPolarHBondContact O-CG 3.17Å; V180-M184 PolarHBondContact O-N 3.41Å; V180-T315 HydrophobicContact CB-CG2 4.48Å; V180-T315 HydrophobicContact CG1-CG2 4.36Å; V180-C318 HydrophobicContact CG1-CB 3.95Å; V180-S474 PolarHBondContact N-O 2.98Å; V180-I476 HydrophobicContact CG2-CB 3.94Å; V180-I476 HydrophobicContact CG2-CD1 4.23Å; V180-I476 HydrophobicContact CG2-CG1 4.26Å; V180-I478 HydrophobicContact CG2-CD1 4.2Å
181	L	88.9	Confident	91.1	Very high	22 Å²	22	46.5 Å²	46.5	12%	0.115	22%	0.221	C	C	.	.	H	α-helix	trans	-58	-46.3	-178.4	179.3	60	0	0	0	111.7	N179 L183 M184 R185 L312 T315	N179-L181 VanDerWaalsContact C-N 3.3Å; N179-L181 PolarHBondContact O-N 3.49Å; N179-L181 PolarHBondContact OD1-N 2.95Å; L181-L183 PolarHBondContact O-N 2.92Å; L181-M184 PolarHBondContact O-N 2.89Å; L181-R185 HydrophobicContact CD1-CG 4.08Å; L181-R185 HydrophobicContact CG-CG 4.4Å; L181-R185 VanDerWaalsContact O-CB 3.24Å; L181-R185 WeakPolarHBondContact O-CB 3.42Å; L181-R185 VanDerWaalsContact O-CG 3.22Å; L181-R185 WeakPolarHBondContact O-CG 3.28Å; L181-R185 PolarHBondContact O-N 3.3Å; L181-L312 HydrophobicContact CD1-CD2 3.9Å; L181-L312 HydrophobicContact CD1-CG 4.45Å; L181-T315 WeakPolarHBondContact CA-OG1 3.15Å; L181-T315 HydrophobicContact CB-CG2 4.21Å
182	Q	91.3	Very high	91.3	Very high	76 Å²	76	40.5 Å²	40.5	36%	0.355	20%	0.199	S	C	.	.	H	α-helix	trans	-63.1	-42.7	179.2	-172.6	-179.6	2.4	0	0	111.8	N179 V180 R185 C186	N179-Q182 HydrophobicContact CB-CB 4.2Å; N179-Q182 PolarHBondContact O-N 2.74Å; N179-Q182 PolarHBondContact OD1-N 3.38Å; N179-Q182 VanDerWaalsContact OD1-N 3.09Å; V180-Q182 VanDerWaalsContact C-N 3.34Å; V180-Q182 PolarHBondContact O-N 3.2Å; Q182-R185 PolarHBondContact O-N 3.18Å; Q182-C186 PolarHBondContact O-N 2.83Å; Q182-C186 PolarHBondContact O-SG 3.49Å; Q182-C186 VanDerWaalsContact O-SG 3.41Å
183	L	93.9	Very high	91.5	Very high	18 Å²	18	35.8 Å²	35.8	9%	0.094	17%	0.174	C	C	.	.	H	α-helix	trans	-64	-44.7	177.8	-71.6	174.7	0	0	0	112	L166 Q169 L170 V178 N179 V180 L181 C186 T187	L166-L183 HydrophobicContact CD1-CB 3.92Å; Q169-L183 HydrophobicContact CB-CD2 4.42Å; L170-L183 HydrophobicContact CD2-CD1 3.62Å; L170-L183 HydrophobicContact CG-CD1 4.44Å; V178-L183 HydrophobicContact CB-CD1 4.16Å; V178-L183 HydrophobicContact CG2-CD1 4.1Å; N179-L183 PolarHBondContact O-N 2.87Å; V180-L183 PolarHBondContact O-N 3.43Å; L181-L183 PolarHBondContact O-N 2.92Å; L183-C186 PolarHBondContact O-N 3.13Å; L183-T187 WeakPolarHBondContact O-CB 3.45Å; L183-T187 PolarHBondContact O-N 3.33Å; L183-T187 PolarHBondContact O-OG1 3.47Å
184	M	95.6	Very high	91.8	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-64.7	-43.5	177.2	-63.1	-51	142.9	0	0	111.1	L166 V180 L181 C186 T187 V188 S311 L314 I426 I430	L166-M184 HydrophobicContact CD1-CE 4.22Å; L166-M184 HydrophobicContact CD2-CE 4.05Å; L166-M184 HydrophobicContact CD2-SD 4.13Å; V180-M184 HydrophobicContact CG1-CE 3.9Å; V180-M184 HydrophobicContact CG1-CG 3.96Å; V180-M184 WeakPolarHBondContact O-CG 3.17Å; V180-M184 PolarHBondContact O-N 3.41Å; L181-M184 PolarHBondContact O-N 2.89Å; M184-C186 PolarHBondContact O-N 3.48Å; M184-T187 PolarHBondContact O-N 3.49Å; M184-V188 WeakPolarHBondContact O-CB 3.47Å; M184-V188 VanDerWaalsContact O-CG2 3.28Å; M184-V188 WeakPolarHBondContact O-CG2 3.45Å; M184-V188 PolarHBondContact O-N 3.27Å; M184-S311 PolarHBondContact O-OG 3.02Å; M184-L314 HydrophobicContact CB-CB 4.31Å; M184-L314 HydrophobicContact CB-CD1 4.49Å; M184-L314 HydrophobicContact CG-CB 3.78Å; M184-L314 HydrophobicContact CG-CD1 4.45Å; M184-L314 HydrophobicContact SD-CB 3.94Å; M184-L314 HydrophobicContact SD-CD1 4.01Å; M184-L314 HydrophobicContact SD-CG 4.47Å; M184-I426 HydrophobicContact SD-CG2 3.99Å; M184-I430 HydrophobicContact CE-CD1 3.45Å; M184-I430 VanDerWaalsContact CE-CD1 3.45Å; M184-I430 HydrophobicContact SD-CD1 4.24Å
185	R	95.4	Very high	92.2	Very high	11 Å²	11	25.6 Å²	25.6	4%	0.042	13%	0.131	C	C	.	.	H	α-helix	trans	-55.9	-50.6	176	-82.8	-177.5	167.5	177.6	-5.4	112.3	L181 Q182 W189 L212 D213 D308 S311	L181-R185 HydrophobicContact CD1-CG 4.08Å; L181-R185 HydrophobicContact CG-CG 4.4Å; L181-R185 VanDerWaalsContact O-CB 3.24Å; L181-R185 WeakPolarHBondContact O-CB 3.42Å; L181-R185 VanDerWaalsContact O-CG 3.22Å; L181-R185 WeakPolarHBondContact O-CG 3.28Å; L181-R185 PolarHBondContact O-N 3.3Å; Q182-R185 PolarHBondContact O-N 3.18Å; R185-W189 WeakPolarHBondContact O-CB 3.1Å; R185-W189 PolarHBondContact O-N 2.86Å; R185-L212 HydrophobicContact CB-CD1 3.54Å; R185-L212 HydrophobicContact CG-CD1 3.72Å; R185-D213 IonicContact CZ-OD1 3.1Å; R185-D213 IonicContact NH1-OD1 2.81Å; R185-D213 PolarHBondContact NH1-OD1 3.41Å; R185-D308 IonicContact CZ-OD1 2.68Å; R185-D308 IonicContact NE-OD1 3.77Å; R185-D308 IonicContact NH2-OD1 3.04Å; R185-D308 PolarHBondContact NH2-OD1 2.9Å; R185-D308 VanDerWaalsContact NH2-OD1 3.15Å; R185-S311 WeakPolarHBondContact CA-OG 3.42Å; R185-S311 PolarHBondContact N-OG 3.02Å
186	C	97.3	Very high	92.9	Very high	9 Å²	9	25.1 Å²	25.1	6%	0.061	13%	0.125	C	C	.	.	H	α-helix	trans	-62.3	-46.7	177.7	-70	0	0	0	0	112	Q182 L183 M184 R190	Q182-C186 PolarHBondContact O-N 2.83Å; Q182-C186 PolarHBondContact O-SG 3.49Å; Q182-C186 VanDerWaalsContact O-SG 3.41Å; L183-C186 PolarHBondContact O-N 3.13Å; M184-C186 PolarHBondContact O-N 3.48Å; C186-R190 VanDerWaalsContact O-CG 3.31Å; C186-R190 WeakPolarHBondContact O-CG 3.31Å; C186-R190 PolarHBondContact O-N 2.89Å; C186-R190 VanDerWaalsContact O-N 3.14Å
187	T	97.7	Very high	93.3	Very high	10 Å²	10	18.5 Å²	18.5	6%	0.061	10%	0.096	C	C	.	.	H	α-helix	trans	-62.4	-53.1	-177.9	-54.6	0	0	0	0	111.1	Q162 L166 L183 M184 W189 R190 I191 I426	Q162-T187 HydrophobicContact CB-CG2 4.2Å; L166-T187 HydrophobicContact CB-CG2 4.18Å; L166-T187 HydrophobicContact CD2-CG2 4.13Å; L183-T187 WeakPolarHBondContact O-CB 3.45Å; L183-T187 PolarHBondContact O-N 3.33Å; L183-T187 PolarHBondContact O-OG1 3.47Å; M184-T187 PolarHBondContact O-N 3.49Å; T187-W189 PolarHBondContact O-N 3.3Å; T187-R190 PolarHBondContact O-N 3.37Å; T187-I191 HydrophobicContact CG2-CD1 4.17Å; T187-I191 WeakPolarHBondContact O-CG1 3.43Å; T187-I191 PolarHBondContact O-N 3.07Å; T187-I426 HydrophobicContact CG2-CD1 4.43Å
188	V	98	Very high	93.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-65.9	-40.7	-178.6	178.6	0	0	0	0	110.7	M184 R190 I191 I192 T307 T310 L314 L422 I426	M184-V188 WeakPolarHBondContact O-CB 3.47Å; M184-V188 VanDerWaalsContact O-CG2 3.28Å; M184-V188 WeakPolarHBondContact O-CG2 3.45Å; M184-V188 PolarHBondContact O-N 3.27Å; V188-R190 VanDerWaalsContact C-N 3.32Å; V188-R190 PolarHBondContact O-N 3.29Å; V188-I191 PolarHBondContact O-N 3.01Å; V188-I192 HydrophobicContact CG1-CG1 3.89Å; V188-I192 WeakPolarHBondContact O-CG1 3.24Å; V188-I192 PolarHBondContact O-N 3.09Å; V188-T307 HydrophobicContact CB-CG2 4.17Å; V188-T307 HydrophobicContact CG1-CG2 4.11Å; V188-T310 HydrophobicContact CG1-CG2 4.06Å; V188-T310 HydrophobicContact CG2-CG2 4.08Å; V188-L314 HydrophobicContact CG2-CD1 3.79Å; V188-L422 HydrophobicContact CG1-CD1 4.45Å; V188-I426 HydrophobicContact CG2-CD1 3.99Å
189	W	98.1	Very high	93.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-56.1	-47.2	177.2	-178.7	-83.4	0	0	0	111.4	R185 T187 I191 I192 W193 L203 I208 T211 L212 I215 I265 M303 T307	R185-W189 WeakPolarHBondContact O-CB 3.1Å; R185-W189 PolarHBondContact O-N 2.86Å; T187-W189 PolarHBondContact O-N 3.3Å; W189-I191 VanDerWaalsContact C-N 3.33Å; W189-I191 PolarHBondContact O-N 3.15Å; W189-I192 PolarHBondContact O-N 3.4Å; W189-W193 HydrophobicContact CZ2-CE3 4.27Å; W189-W193 HydrophobicContact CZ2-CZ3 4.41Å; W189-W193 AromaticContact NE1-CE3 3.68Å; W189-W193 WeakPolarHBondContact O-CB 3.36Å; W189-W193 PolarHBondContact O-N 3.4Å; W189-L203 HydrophobicContact CZ2-CD1 3.99Å; W189-I208 HydrophobicContact CB-CD1 4.47Å; W189-I208 HydrophobicContact CB-CG2 3.62Å; W189-I208 HydrophobicContact CD2-CG2 3.99Å; W189-I208 HydrophobicContact CE3-CG2 4.46Å; W189-I208 HydrophobicContact CG-CB 4.46Å; W189-I208 HydrophobicContact CG-CD1 4.16Å; W189-I208 HydrophobicContact CG-CG1 4.06Å; W189-I208 HydrophobicContact CG-CG2 3.61Å; W189-T211 HydrophobicContact CH2-CG2 3.73Å; W189-T211 HydrophobicContact CZ2-CG2 4.49Å; W189-T211 HydrophobicContact CZ3-CG2 4.16Å; W189-L212 HydrophobicContact CE3-CD1 4Å; W189-L212 HydrophobicContact CE3-CD2 4.02Å; W189-L212 HydrophobicContact CE3-CG 4Å; W189-L212 HydrophobicContact CZ3-CD2 4.11Å; W189-L212 HydrophobicContact CZ3-CG 4.22Å; W189-I215 HydrophobicContact CZ3-CD1 4.18Å; W189-I265 HydrophobicContact CH2-CD1 4.21Å; W189-I265 HydrophobicContact CH2-CG1 4.25Å; W189-I265 HydrophobicContact CZ2-CG1 4.39Å; W189-M303 HydrophobicContact CD2-CE 3.49Å; W189-M303 VanDerWaalsContact CD2-CE 3.49Å; W189-M303 VanDerWaalsContact CE2-CE 3.45Å; W189-M303 HydrophobicContact CE3-CE 3.79Å; W189-M303 HydrophobicContact CG-CE 3.98Å; W189-M303 HydrophobicContact CH2-CB 4.1Å; W189-M303 HydrophobicContact CH2-CE 4.07Å; W189-M303 HydrophobicContact CZ2-CE 3.77Å; W189-M303 HydrophobicContact CZ3-CB 4.13Å; W189-M303 HydrophobicContact CZ3-CE 4.08Å; W189-T307 HydrophobicContact CB-CG2 3.87Å; W189-T307 HydrophobicContact CE3-CG2 4.12Å
190	R	97.3	Very high	94.1	Very high	48 Å²	48	22.6 Å²	22.6	18%	0.181	11%	0.111	C	C	.	.	H	α-helix	trans	-64.3	-38.4	-179.1	-69.6	178.7	-175.5	-66	-7.1	112.1	Q162 C186 T187 V188 N194 C201 L203 D205 I208	Q162-R190 HydrophobicContact CG-CB 4.06Å; Q162-R190 VanDerWaalsContact OE1-CB 3.3Å; C186-R190 VanDerWaalsContact O-CG 3.31Å; C186-R190 WeakPolarHBondContact O-CG 3.31Å; C186-R190 PolarHBondContact O-N 2.89Å; C186-R190 VanDerWaalsContact O-N 3.14Å; T187-R190 PolarHBondContact O-N 3.37Å; V188-R190 VanDerWaalsContact C-N 3.32Å; V188-R190 PolarHBondContact O-N 3.29Å; R190-N194 PolarHBondContact O-N 3.22Å; R190-N194 VanDerWaalsContact O-N 3.14Å; R190-C201 HydrophobicContact CB-CB 4.49Å; R190-C201 HydrophobicContact CG-CB 4.11Å; R190-C201 PolarHBondContact NH1-O 3.34Å; R190-L203 PolarHBondContact NH1-O 3.49Å; R190-L203 PolarHBondContact NH2-O 3.36Å; R190-D205 IonicContact CZ-OD1 3.61Å; R190-D205 IonicContact NE-OD1 2.75Å; R190-D205 IonicContact NH2-OD1 3.29Å; R190-D205 PolarHBondContact NH2-OD1 3.11Å; R190-I208 HydrophobicContact CG-CD1 4.26Å
191	I	96.2	Very high	94.3	Very high	5 Å²	5	22.9 Å²	22.9	3%	0.026	11%	0.112	C	C	.	.	H	α-helix	trans	-65.7	-52.4	175.5	-64.6	169	0	0	0	110.9	I159 Q162 T187 V188 W189 W193 N194 L195 L422 I426	I159-I191 HydrophobicContact CD1-CG2 4.45Å; I159-I191 HydrophobicContact CG1-CG2 3.83Å; I159-I191 HydrophobicContact CG2-CD1 4.33Å; Q162-I191 HydrophobicContact CB-CD1 3.95Å; Q162-I191 HydrophobicContact CB-CG1 3.62Å; Q162-I191 HydrophobicContact CG-CG1 3.7Å; T187-I191 HydrophobicContact CG2-CD1 4.17Å; T187-I191 WeakPolarHBondContact O-CG1 3.43Å; T187-I191 PolarHBondContact O-N 3.07Å; V188-I191 PolarHBondContact O-N 3.01Å; W189-I191 VanDerWaalsContact C-N 3.33Å; W189-I191 PolarHBondContact O-N 3.15Å; I191-W193 VanDerWaalsContact C-N 3.32Å; I191-W193 PolarHBondContact O-N 3.28Å; I191-N194 PolarHBondContact O-N 3.43Å; I191-L195 WeakPolarHBondContact O-CB 3.22Å; I191-L195 PolarHBondContact O-N 3.35Å; I191-L422 HydrophobicContact CD1-CD2 4.17Å; I191-L422 HydrophobicContact CG2-CD1 4.05Å; I191-L422 HydrophobicContact CG2-CD2 3.63Å; I191-I426 HydrophobicContact CD1-CD1 4.24Å
192	I	96.1	Very high	94.6	Very high	5 Å²	5	28.4 Å²	28.4	3%	0.026	14%	0.138	C	C	.	.	H	α-helix	trans	-63	-41.3	-179.3	-63.3	-63	0	0	0	110.5	V188 W189 N194 L195 I196 M303 I418 L422	V188-I192 HydrophobicContact CG1-CG1 3.89Å; V188-I192 WeakPolarHBondContact O-CG1 3.24Å; V188-I192 PolarHBondContact O-N 3.09Å; W189-I192 PolarHBondContact O-N 3.4Å; I192-N194 VanDerWaalsContact C-N 3.32Å; I192-N194 PolarHBondContact O-N 2.96Å; I192-L195 PolarHBondContact O-N 2.67Å; I192-I196 HydrophobicContact CG2-CG1 3.92Å; I192-I196 WeakPolarHBondContact O-CB 3.41Å; I192-I196 VanDerWaalsContact O-CG1 3.24Å; I192-I196 WeakPolarHBondContact O-CG1 3.34Å; I192-I196 PolarHBondContact O-N 2.89Å; I192-M303 HydrophobicContact CB-CE 4.43Å; I192-M303 HydrophobicContact CB-SD 4.49Å; I192-M303 HydrophobicContact CG2-CE 4.24Å; I192-M303 HydrophobicContact CG2-SD 3.78Å; I192-I418 HydrophobicContact CD1-CG2 3.77Å; I192-L422 HydrophobicContact CD1-CD1 3.75Å; I192-L422 HydrophobicContact CG1-CD1 4.39Å
193	W	95.9	Very high	94.9	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.008	12%	0.122	C	C	.	.	H	α-helix	trans	-53	-51.6	174.5	178.3	-79.2	0	0	0	111.3	W189 I191 L195 I196 F197 E200 C201 L203 N268 V269 M303	W189-W193 HydrophobicContact CZ2-CE3 4.27Å; W189-W193 HydrophobicContact CZ2-CZ3 4.41Å; W189-W193 AromaticContact NE1-CE3 3.68Å; W189-W193 WeakPolarHBondContact O-CB 3.36Å; W189-W193 PolarHBondContact O-N 3.4Å; I191-W193 VanDerWaalsContact C-N 3.32Å; I191-W193 PolarHBondContact O-N 3.28Å; W193-L195 PolarHBondContact O-N 2.89Å; W193-I196 PolarHBondContact O-N 3.08Å; W193-F197 AromaticContact CD2-CD2 3.62Å; W193-F197 HydrophobicContact CD2-CD2 3.62Å; W193-F197 AromaticContact CD2-CE2 3.86Å; W193-F197 HydrophobicContact CD2-CE2 3.86Å; W193-F197 AromaticContact CE2-CD2 3.75Å; W193-F197 AromaticContact CE3-CD2 3.97Å; W193-F197 HydrophobicContact CE3-CD2 3.97Å; W193-F197 AromaticContact CE3-CE2 3.7Å; W193-F197 HydrophobicContact CE3-CE2 3.7Å; W193-F197 AromaticContact CG-CD2 3.88Å; W193-F197 HydrophobicContact CG-CD2 3.88Å; W193-F197 HydrophobicContact CG-CE2 4.39Å; W193-F197 HydrophobicContact CH2-CD2 4.41Å; W193-F197 HydrophobicContact CH2-CE2 4.27Å; W193-F197 HydrophobicContact CZ2-CD2 4.17Å; W193-F197 HydrophobicContact CZ2-CE2 4.49Å; W193-F197 HydrophobicContact CZ3-CD2 4.35Å; W193-F197 AromaticContact CZ3-CE2 3.92Å; W193-F197 HydrophobicContact CZ3-CE2 3.92Å; W193-F197 WeakPolarHBondContact O-CB 3.19Å; W193-F197 WeakPolarHBondContact O-CD2 3.42Å; W193-F197 PolarHBondContact O-N 2.95Å; W193-E200 PolarHBondContact NE1-O 3.47Å; W193-C201 HydrophobicContact CB-CB 4Å; W193-C201 VanDerWaalsContact CD1-CA 3.49Å; W193-C201 HydrophobicContact CD2-CB 3.99Å; W193-C201 HydrophobicContact CG-CB 3.56Å; W193-L203 HydrophobicContact CZ3-CD1 4.27Å; W193-N268 HydrophobicContact CH2-CB 3.39Å; W193-N268 HydrophobicContact CZ2-CB 3.94Å; W193-N268 HydrophobicContact CZ3-CB 4.37Å; W193-V269 HydrophobicContact CH2-CG2 3.83Å; W193-V269 HydrophobicContact CZ2-CG2 4.16Å; W193-V269 HydrophobicContact CZ3-CG2 4.49Å; W193-M303 HydrophobicContact CB-CE 3.88Å; W193-M303 HydrophobicContact CB-SD 4.3Å; W193-M303 HydrophobicContact CE3-CE 4.07Å; W193-M303 HydrophobicContact CE3-SD 4.44Å
194	N	93.1	Very high	95	Very high	25 Å²	25	27.7 Å²	27.7	13%	0.134	14%	0.14	C	C	.	.	H	α-helix	trans	-66.5	-41.1	-178.9	-172.4	-85.4	0	0	0	112.2	I158 R190 I191 I192 I196 G198 K199	I158-N194 WeakPolarHBondContact CD1-ND2 3.49Å; I158-N194 WeakPolarHBondContact CD1-OD1 3.36Å; I158-N194 HydrophobicContact CG2-CB 3.81Å; R190-N194 PolarHBondContact O-N 3.22Å; R190-N194 VanDerWaalsContact O-N 3.14Å; I191-N194 PolarHBondContact O-N 3.43Å; I192-N194 VanDerWaalsContact C-N 3.32Å; I192-N194 PolarHBondContact O-N 2.96Å; N194-I196 VanDerWaalsContact C-N 3.33Å; N194-I196 PolarHBondContact O-N 3.46Å; N194-G198 WeakPolarHBondContact O-CA 3.32Å; N194-G198 PolarHBondContact O-N 3.35Å; N194-K199 WeakPolarHBondContact CA-O 3.27Å; N194-K199 PolarHBondContact ND2-O 2.84Å
195	L	91.9	Very high	95	Very high	10 Å²	10	31 Å²	31	5%	0.052	16%	0.157	C	C	.	.	H	α-helix	trans	-60.4	-43.4	177.2	178.6	60.8	0	0	0	112.2	I154 I191 I192 W193 L278 I418	I154-L195 HydrophobicContact CD1-CD1 3.93Å; I154-L195 HydrophobicContact CD1-CD2 4.08Å; I154-L195 HydrophobicContact CG1-CD1 3.66Å; I191-L195 WeakPolarHBondContact O-CB 3.22Å; I191-L195 PolarHBondContact O-N 3.35Å; I192-L195 PolarHBondContact O-N 2.67Å; W193-L195 PolarHBondContact O-N 2.89Å; L195-L278 HydrophobicContact CD1-CD1 3.79Å; L195-L278 HydrophobicContact CD1-CG 3.96Å; L195-L278 HydrophobicContact CD2-CD1 3.97Å; L195-L278 HydrophobicContact CG-CD1 3.59Å; L195-L278 HydrophobicContact CG-CG 4.13Å; L195-L278 PolarHBondContact O-N 3.04Å; L195-I418 HydrophobicContact CD2-CD1 3.72Å; L195-I418 HydrophobicContact CD2-CG1 4.02Å; L195-I418 HydrophobicContact CD2-CG2 3.89Å
196	I	93.9	Very high	95	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-75.1	-43.8	-177.4	-63.9	-55.4	0	0	0	111.7	I192 W193 N194 S277 L278 L279 F302 M303	I192-I196 HydrophobicContact CG2-CG1 3.92Å; I192-I196 WeakPolarHBondContact O-CB 3.41Å; I192-I196 VanDerWaalsContact O-CG1 3.24Å; I192-I196 WeakPolarHBondContact O-CG1 3.34Å; I192-I196 PolarHBondContact O-N 2.89Å; W193-I196 PolarHBondContact O-N 3.08Å; N194-I196 VanDerWaalsContact C-N 3.33Å; N194-I196 PolarHBondContact O-N 3.46Å; I196-S277 WeakPolarHBondContact O-CB 3.33Å; I196-S277 PolarHBondContact O-OG 3.25Å; I196-L278 HydrophobicContact CD1-CB 4.3Å; I196-L278 HydrophobicContact CD1-CD1 4.14Å; I196-L279 HydrophobicContact CG2-CB 4Å; I196-L279 HydrophobicContact CG2-CD2 4.45Å; I196-L279 WeakPolarHBondContact O-CB 3.42Å; I196-L279 PolarHBondContact O-N 3.25Å; I196-F302 HydrophobicContact CD1-CB 3.65Å; I196-F302 HydrophobicContact CD1-CD2 3.78Å; I196-F302 HydrophobicContact CD1-CG 3.87Å; I196-F302 HydrophobicContact CG1-CB 3.84Å; I196-F302 HydrophobicContact CG1-CD2 4.48Å; I196-F302 HydrophobicContact CG2-CB 4.41Å; I196-F302 HydrophobicContact CG2-CD2 4.09Å; I196-M303 HydrophobicContact CG1-SD 4.5Å
197	F	93.9	Very high	95	Very high	4 Å²	4	40 Å²	40	2%	0.018	20%	0.197	C	C	.	.	H	α-helix	trans	-105.7	-9.9	-170.3	-54	-59.9	0	0	0	114.8	W193 K199 I265 V269 L279 M303	W193-F197 AromaticContact CD2-CD2 3.62Å; W193-F197 HydrophobicContact CD2-CD2 3.62Å; W193-F197 AromaticContact CD2-CE2 3.86Å; W193-F197 HydrophobicContact CD2-CE2 3.86Å; W193-F197 AromaticContact CE2-CD2 3.75Å; W193-F197 AromaticContact CE3-CD2 3.97Å; W193-F197 HydrophobicContact CE3-CD2 3.97Å; W193-F197 AromaticContact CE3-CE2 3.7Å; W193-F197 HydrophobicContact CE3-CE2 3.7Å; W193-F197 AromaticContact CG-CD2 3.88Å; W193-F197 HydrophobicContact CG-CD2 3.88Å; W193-F197 HydrophobicContact CG-CE2 4.39Å; W193-F197 HydrophobicContact CH2-CD2 4.41Å; W193-F197 HydrophobicContact CH2-CE2 4.27Å; W193-F197 HydrophobicContact CZ2-CD2 4.17Å; W193-F197 HydrophobicContact CZ2-CE2 4.49Å; W193-F197 HydrophobicContact CZ3-CD2 4.35Å; W193-F197 AromaticContact CZ3-CE2 3.92Å; W193-F197 HydrophobicContact CZ3-CE2 3.92Å; W193-F197 WeakPolarHBondContact O-CB 3.19Å; W193-F197 WeakPolarHBondContact O-CD2 3.42Å; W193-F197 PolarHBondContact O-N 2.95Å; F197-K199 VanDerWaalsContact C-N 3.3Å; F197-K199 HydrophobicContact CB-CG 4.01Å; F197-K199 PolarHBondContact O-N 2.84Å; F197-I265 HydrophobicContact CE2-CG2 4.43Å; F197-I265 HydrophobicContact CZ-CG2 3.83Å; F197-V269 HydrophobicContact CD1-CB 4.33Å; F197-V269 HydrophobicContact CD1-CG1 3.7Å; F197-V269 HydrophobicContact CD1-CG2 3.55Å; F197-V269 HydrophobicContact CD2-CG2 3.85Å; F197-V269 HydrophobicContact CE1-CB 4.33Å; F197-V269 HydrophobicContact CE1-CG1 3.98Å; F197-V269 HydrophobicContact CE1-CG2 3.33Å; F197-V269 HydrophobicContact CE2-CG2 3.65Å; F197-V269 HydrophobicContact CG-CG1 4.34Å; F197-V269 HydrophobicContact CG-CG2 3.81Å; F197-V269 HydrophobicContact CZ-CG2 3.4Å; F197-V269 VanDerWaalsContact CZ-CG2 3.4Å; F197-L279 HydrophobicContact CD1-CD2 3.81Å; F197-L279 HydrophobicContact CE1-CD2 3.63Å; F197-M303 HydrophobicContact CD2-SD 4.49Å; F197-M303 HydrophobicContact CE2-CG 3.92Å; F197-M303 HydrophobicContact CE2-SD 3.65Å; F197-M303 HydrophobicContact CZ-CG 4.02Å; F197-M303 HydrophobicContact CZ-SD 4.26Å
198	G	90.9	Very high	95.1	Very high	18 Å²	18	39.6 Å²	39.6	19%	0.186	19%	0.194	C	C	.	.	S	Bend	trans	65.5	29.5	-179.2	0	0	0	0	0	113.9	N194 N274 S277	N194-G198 WeakPolarHBondContact O-CA 3.32Å; N194-G198 PolarHBondContact O-N 3.35Å; G198-N274 PolarHBondContact O-ND2 3.09Å; G198-N274 VanDerWaalsContact O-ND2 3.11Å; G198-S277 VanDerWaalsContact N-CB 3.33Å
199	K	90.1	Very high	94.8	Very high	73 Å²	73	40.4 Å²	40.4	32%	0.317	20%	0.2	S	C	.	.	S	Bend	trans	-150.5	161.2	-178.1	69.3	-177.7	-164.6	166.5	0	112.6	N194 F197 N268 V269	N194-K199 WeakPolarHBondContact CA-O 3.27Å; N194-K199 PolarHBondContact ND2-O 2.84Å; F197-K199 VanDerWaalsContact C-N 3.3Å; F197-K199 HydrophobicContact CB-CG 4.01Å; F197-K199 PolarHBondContact O-N 2.84Å; K199-N268 WeakPolarHBondContact CE-O 3.28Å; K199-N268 PolarHBondContact NZ-O 3.43Å; K199-V269 PolarHBondContact NZ-O 3.17Å
200	E	91.3	Very high	94.7	Very high	133 Å²	133	43.7 Å²	43.7	62%	0.621	22%	0.217	S	C	*	.			trans	-68.7	145.3	179.5	-169.8	174.2	-171.8	0	0	112.3	W193	W193-E200 PolarHBondContact NE1-O 3.47Å
201	C	94.3	Very high	94.7	Very high	6 Å²	6	41.8 Å²	41.8	4%	0.041	21%	0.211	C	C	.	.			trans	-82.5	117.4	176.5	-176.2	0	0	0	0	110.7	R190 W193	R190-C201 HydrophobicContact CB-CB 4.49Å; R190-C201 HydrophobicContact CG-CB 4.11Å; R190-C201 PolarHBondContact NH1-O 3.34Å; W193-C201 HydrophobicContact CB-CB 4Å; W193-C201 VanDerWaalsContact CD1-CA 3.49Å; W193-C201 HydrophobicContact CD2-CB 3.99Å; W193-C201 HydrophobicContact CG-CB 3.56Å
202	Q	94.8	Very high	94.6	Very high	139 Å²	139	41.6 Å²	41.6	65%	0.65	21%	0.21	S	C	*	.			trans	-91.6	0.8	-179.9	-60.4	-60.2	-36.3	0	0	113.6
203	L	97	Very high	94.4	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	23%	0.228	C	C	.	.			trans	-71.6	141.6	178.3	-63.2	178.2	0	0	0	110.9	W189 R190 W193 Q207 I208 L264 N268	W189-L203 HydrophobicContact CZ2-CD1 3.99Å; R190-L203 PolarHBondContact NH1-O 3.49Å; R190-L203 PolarHBondContact NH2-O 3.36Å; W193-L203 HydrophobicContact CZ3-CD1 4.27Å; L203-Q207 HydrophobicContact CB-CB 4.32Å; L203-Q207 HydrophobicContact CD2-CB 4.38Å; L203-I208 HydrophobicContact CB-CD1 4.26Å; L203-I208 HydrophobicContact CB-CG1 3.82Å; L203-I208 HydrophobicContact CD1-CG1 4.42Å; L203-L264 HydrophobicContact CD1-CD2 4.05Å; L203-L264 HydrophobicContact CD1-CG 4.38Å; L203-L264 HydrophobicContact CD2-CD1 3.95Å; L203-L264 HydrophobicContact CD2-CD2 4.38Å; L203-L264 HydrophobicContact CD2-CG 4.21Å; L203-N268 HydrophobicContact CD2-CB 4.48Å
204	T	97.1	Very high	94.4	Very high	77 Å²	77	46.7 Å²	46.7	47%	0.472	24%	0.237	S	C	.	.			trans	-70.2	156.4	170	62.7	0	0	0	0	110.9	K206 Q207 I208	T204-K206 PolarHBondContact O-N 2.78Å; T204-Q207 PolarHBondContact O-N 3.05Å; T204-Q207 VanDerWaalsContact O-N 3.08Å; T204-Q207 VanDerWaalsContact OG1-CG 3.28Å; T204-Q207 WeakPolarHBondContact OG1-CG 3.45Å; T204-Q207 PolarHBondContact OG1-N 3.08Å; T204-Q207 PolarHBondContact OG1-OE1 3.18Å; T204-I208 WeakPolarHBondContact O-CG1 3.29Å; T204-I208 PolarHBondContact O-N 2.99Å
205	D	95.3	Very high	94.3	Very high	69 Å²	69	45.6 Å²	45.6	37%	0.369	23%	0.232	S	C	.	.	H	α-helix	trans	-58.4	-34.2	177.4	-70.4	3.5	0	0	0	112.4	R190 I208 S209	R190-D205 IonicContact CZ-OD1 3.61Å; R190-D205 IonicContact NE-OD1 2.75Å; R190-D205 IonicContact NH2-OD1 3.29Å; R190-D205 PolarHBondContact NH2-OD1 3.11Å; D205-I208 PolarHBondContact O-N 2.97Å; D205-S209 WeakPolarHBondContact O-CB 3.38Å; D205-S209 PolarHBondContact O-N 3.15Å
206	K	95.5	Very high	94.2	Very high	135 Å²	135	47.2 Å²	47.2	59%	0.587	24%	0.244	S	C	*	.	H	α-helix	trans	-64.2	-48.4	174.3	-171.7	-176.9	-174.8	-58.5	0	111.4	T204 I208 S209 D210	T204-K206 PolarHBondContact O-N 2.78Å; K206-I208 VanDerWaalsContact C-N 3.29Å; K206-I208 PolarHBondContact O-N 3.4Å; K206-S209 PolarHBondContact O-N 3.33Å; K206-D210 IonicContact NZ-OD1 3.08Å; K206-D210 IonicContact NZ-OD2 2.71Å; K206-D210 PolarHBondContact NZ-OD2 2.89Å; K206-D210 WeakPolarHBondContact O-CB 3.14Å; K206-D210 PolarHBondContact O-N 3.45Å
207	Q	97.7	Very high	94	Very high	76 Å²	76	48.6 Å²	48.6	36%	0.355	25%	0.254	S	S	.	.	H	α-helix	trans	-59.9	-41.4	177.5	-74.2	167	-57.3	0	0	111.6	L203 T204 T211	L203-Q207 HydrophobicContact CB-CB 4.32Å; L203-Q207 HydrophobicContact CD2-CB 4.38Å; T204-Q207 PolarHBondContact O-N 3.05Å; T204-Q207 VanDerWaalsContact O-N 3.08Å; T204-Q207 VanDerWaalsContact OG1-CG 3.28Å; T204-Q207 WeakPolarHBondContact OG1-CG 3.45Å; T204-Q207 PolarHBondContact OG1-N 3.08Å; T204-Q207 PolarHBondContact OG1-OE1 3.18Å; Q207-T211 VanDerWaalsContact O-CB 3.24Å; Q207-T211 WeakPolarHBondContact O-CB 3.04Å; Q207-T211 PolarHBondContact O-N 2.9Å; Q207-T211 PolarHBondContact O-OG1 3.28Å
208	I	98	Very high	93.8	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.1	-47.6	176.9	-65.1	169.1	0	0	0	110.7	W189 R190 L203 T204 D205 K206 T211 L212	W189-I208 HydrophobicContact CB-CD1 4.47Å; W189-I208 HydrophobicContact CB-CG2 3.62Å; W189-I208 HydrophobicContact CD2-CG2 3.99Å; W189-I208 HydrophobicContact CE3-CG2 4.46Å; W189-I208 HydrophobicContact CG-CB 4.46Å; W189-I208 HydrophobicContact CG-CD1 4.16Å; W189-I208 HydrophobicContact CG-CG1 4.06Å; W189-I208 HydrophobicContact CG-CG2 3.61Å; R190-I208 HydrophobicContact CG-CD1 4.26Å; L203-I208 HydrophobicContact CB-CD1 4.26Å; L203-I208 HydrophobicContact CB-CG1 3.82Å; L203-I208 HydrophobicContact CD1-CG1 4.42Å; T204-I208 WeakPolarHBondContact O-CG1 3.29Å; T204-I208 PolarHBondContact O-N 2.99Å; D205-I208 PolarHBondContact O-N 2.97Å; K206-I208 VanDerWaalsContact C-N 3.29Å; K206-I208 PolarHBondContact O-N 3.4Å; I208-T211 PolarHBondContact O-N 3.16Å; I208-L212 HydrophobicContact CG2-CD1 3.7Å; I208-L212 WeakPolarHBondContact O-CG 3.49Å; I208-L212 PolarHBondContact O-N 2.74Å
209	S	93.5	Very high	93.6	Very high	17 Å²	17	52.2 Å²	52.2	12%	0.119	27%	0.269	C	S	.	.	H	α-helix	trans	-61.4	-52.3	179.6	-166.5	0	0	0	0	111.8	D205 K206 T211 L212 D213	D205-S209 WeakPolarHBondContact O-CB 3.38Å; D205-S209 PolarHBondContact O-N 3.15Å; K206-S209 PolarHBondContact O-N 3.33Å; S209-T211 PolarHBondContact O-N 2.96Å; S209-L212 PolarHBondContact O-N 3.43Å; S209-L212 VanDerWaalsContact O-N 3.08Å; S209-D213 PolarHBondContact O-N 3.43Å
210	D	94.3	Very high	93.3	Very high	69 Å²	69	54.2 Å²	54.2	37%	0.369	28%	0.283	S	S	.	.	H	α-helix	trans	-57.2	-41.2	179.9	-64.5	-15.3	0	0	0	110.8	K206 D213 D214	K206-D210 IonicContact NZ-OD1 3.08Å; K206-D210 IonicContact NZ-OD2 2.71Å; K206-D210 PolarHBondContact NZ-OD2 2.89Å; K206-D210 WeakPolarHBondContact O-CB 3.14Å; K206-D210 PolarHBondContact O-N 3.45Å; D210-D213 PolarHBondContact O-N 3.4Å; D210-D214 PolarHBondContact O-N 3.4Å
211	T	97.5	Very high	93	Very high	9 Å²	9	50.4 Å²	50.4	6%	0.055	27%	0.265	C	S	.	.	H	α-helix	trans	-64.2	-42.3	177.8	-60	0	0	0	0	112.1	W189 Q207 I208 S209 D214 I215 V261 L264	W189-T211 HydrophobicContact CH2-CG2 3.73Å; W189-T211 HydrophobicContact CZ2-CG2 4.49Å; W189-T211 HydrophobicContact CZ3-CG2 4.16Å; Q207-T211 VanDerWaalsContact O-CB 3.24Å; Q207-T211 WeakPolarHBondContact O-CB 3.04Å; Q207-T211 PolarHBondContact O-N 2.9Å; Q207-T211 PolarHBondContact O-OG1 3.28Å; I208-T211 PolarHBondContact O-N 3.16Å; S209-T211 PolarHBondContact O-N 2.96Å; T211-D214 PolarHBondContact O-N 3.32Å; T211-I215 HydrophobicContact CG2-CD1 4.08Å; T211-I215 VanDerWaalsContact O-CG1 3.28Å; T211-I215 WeakPolarHBondContact O-CG1 3.45Å; T211-I215 PolarHBondContact O-N 3.12Å; T211-V261 HydrophobicContact CG2-CB 4.3Å; T211-V261 HydrophobicContact CG2-CG1 3.76Å; T211-V261 HydrophobicContact CG2-CG2 3.96Å; T211-L264 HydrophobicContact CG2-CD2 4.2Å; T211-L264 WeakPolarHBondContact OG1-CD2 3.35Å
212	L	95.1	Very high	92.6	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-74.5	-27.1	179.1	-75.2	161.7	0	0	0	112.4	R185 W189 I208 S209 I215 S216 T307 D308	R185-L212 HydrophobicContact CB-CD1 3.54Å; R185-L212 HydrophobicContact CG-CD1 3.72Å; W189-L212 HydrophobicContact CE3-CD1 4Å; W189-L212 HydrophobicContact CE3-CD2 4.02Å; W189-L212 HydrophobicContact CE3-CG 4Å; W189-L212 HydrophobicContact CZ3-CD2 4.11Å; W189-L212 HydrophobicContact CZ3-CG 4.22Å; I208-L212 HydrophobicContact CG2-CD1 3.7Å; I208-L212 WeakPolarHBondContact O-CG 3.49Å; I208-L212 PolarHBondContact O-N 2.74Å; S209-L212 PolarHBondContact O-N 3.43Å; S209-L212 VanDerWaalsContact O-N 3.08Å; L212-I215 HydrophobicContact CD2-CD1 4.06Å; L212-I215 PolarHBondContact O-N 2.92Å; L212-S216 WeakPolarHBondContact O-CB 3.39Å; L212-S216 PolarHBondContact O-N 3.37Å; L212-T307 HydrophobicContact CD1-CG2 3.72Å; L212-T307 HydrophobicContact CD2-CG2 3.83Å; L212-T307 HydrophobicContact CG-CG2 4.44Å; L212-D308 HydrophobicContact CD2-CB 4.26Å
213	D	92.3	Very high	92.4	Very high	75 Å²	75	48.3 Å²	48.3	40%	0.401	26%	0.255	S	S	.	.	H	α-helix	trans	-66.6	-43.3	169.6	-70.7	-32.3	0	0	0	111.3	R185 S209 D210 S216 S217	R185-D213 IonicContact CZ-OD1 3.1Å; R185-D213 IonicContact NH1-OD1 2.81Å; R185-D213 PolarHBondContact NH1-OD1 3.41Å; S209-D213 PolarHBondContact O-N 3.43Å; D210-D213 PolarHBondContact O-N 3.4Å; D213-S216 PolarHBondContact O-N 3.14Å; D213-S217 WeakPolarHBondContact O-CB 3.4Å; D213-S217 PolarHBondContact O-N 3.31Å
214	D	94.4	Very high	92.3	Very high	39 Å²	39	48.8 Å²	48.8	21%	0.209	26%	0.258	C	S	.	.	H	α-helix	trans	-61.4	-43.6	172.6	-84	-16.6	0	0	0	112.2	D210 T211 N218 K257 V261	D210-D214 PolarHBondContact O-N 3.4Å; T211-D214 PolarHBondContact O-N 3.32Å; D214-N218 VanDerWaalsContact O-CB 3.28Å; D214-N218 WeakPolarHBondContact O-CB 3.37Å; D214-N218 PolarHBondContact O-N 2.86Å; D214-K257 HydrophobicContact CB-CB 4.25Å; D214-K257 HydrophobicContact CB-CG 4.31Å; D214-K257 WeakPolarHBondContact OD1-CE 3.46Å; D214-V261 HydrophobicContact CB-CG2 3.88Å
215	I	92.6	Very high	92.1	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.015	24%	0.237	C	C	.	.	H	α-helix	trans	-61.9	-50.5	175.9	-71.4	163.2	0	0	0	110.8	W189 T211 L212 N218 N219 V261 A304	W189-I215 HydrophobicContact CZ3-CD1 4.18Å; T211-I215 HydrophobicContact CG2-CD1 4.08Å; T211-I215 VanDerWaalsContact O-CG1 3.28Å; T211-I215 WeakPolarHBondContact O-CG1 3.45Å; T211-I215 PolarHBondContact O-N 3.12Å; L212-I215 HydrophobicContact CD2-CD1 4.06Å; L212-I215 PolarHBondContact O-N 2.92Å; I215-N218 PolarHBondContact O-N 3.5Å; I215-N219 WeakPolarHBondContact O-CB 3.4Å; I215-N219 PolarHBondContact O-N 3.23Å; I215-N219 PolarHBondContact O-ND2 3.49Å; I215-V261 HydrophobicContact CD1-CG1 3.92Å; I215-V261 HydrophobicContact CG1-CG1 3.98Å; I215-V261 HydrophobicContact CG1-CG2 4.09Å; I215-A304 HydrophobicContact CD1-CB 3.93Å; I215-A304 HydrophobicContact CG1-CB 4.3Å; I215-A304 HydrophobicContact CG2-CB 3.86Å
216	S	89.1	Confident	92	Very high	43 Å²	43	43.5 Å²	43.5	30%	0.301	23%	0.225	S	C	.	.	H	α-helix	trans	-60.5	-48.3	-179.6	166.7	0	0	0	0	111.5	L212 D213 N218 N219 L220	L212-S216 WeakPolarHBondContact O-CB 3.39Å; L212-S216 PolarHBondContact O-N 3.37Å; D213-S216 PolarHBondContact O-N 3.14Å; S216-N218 VanDerWaalsContact C-N 3.33Å; S216-N218 PolarHBondContact O-N 3.21Å; S216-N219 WeakPolarHBondContact O-CB 3.47Å; S216-N219 PolarHBondContact O-N 3Å; S216-N219 VanDerWaalsContact O-N 3.13Å; S216-L220 PolarHBondContact O-N 3.36Å
217	S	88.9	Confident	92	Very high	34 Å²	34	41 Å²	41	24%	0.238	22%	0.217	C	C	.	.	H	α-helix	trans	-58.7	-45.8	177.1	180	0	0	0	0	111.1	D213 L220 Q221 K257	D213-S217 WeakPolarHBondContact O-CB 3.4Å; D213-S217 PolarHBondContact O-N 3.31Å; S217-L220 PolarHBondContact O-N 2.56Å; S217-Q221 WeakPolarHBondContact O-CB 3.23Å; S217-Q221 WeakPolarHBondContact O-CG 3.44Å; S217-Q221 PolarHBondContact O-N 2.8Å; S217-K257 PolarHBondContact OG-NZ 2.86Å
218	N	90	Very high	91.8	Very high	13 Å²	13	38 Å²	38	7%	0.07	20%	0.203	C	C	.	.	H	α-helix	trans	-63.2	-42.7	174.4	-87.2	-3.1	0	0	0	112	D214 I215 S216 L220 Q221 N222 I254 K257 Y258	D214-N218 VanDerWaalsContact O-CB 3.28Å; D214-N218 WeakPolarHBondContact O-CB 3.37Å; D214-N218 PolarHBondContact O-N 2.86Å; I215-N218 PolarHBondContact O-N 3.5Å; S216-N218 VanDerWaalsContact C-N 3.33Å; S216-N218 PolarHBondContact O-N 3.21Å; N218-L220 VanDerWaalsContact C-N 3.29Å; N218-L220 PolarHBondContact O-N 3.36Å; N218-Q221 PolarHBondContact O-N 3.34Å; N218-N222 WeakPolarHBondContact O-CA 3.45Å; N218-N222 WeakPolarHBondContact O-CB 3.44Å; N218-N222 PolarHBondContact O-N 3.11Å; N218-I254 PolarHBondContact ND2-O 3.15Å; N218-I254 WeakPolarHBondContact OD1-CA 3.46Å; N218-K257 VanDerWaalsContact ND2-CB 3.29Å; N218-K257 WeakPolarHBondContact ND2-CB 3.36Å; N218-K257 WeakPolarHBondContact OD1-CD 3.22Å; N218-Y258 PolarHBondContact ND2-N 3.32Å
219	N	86.8	Confident	91.8	Very high	85 Å²	85	38 Å²	38	46%	0.455	20%	0.203	S	C	.	.	H	α-helix	trans	-59	-42.3	178.5	-75.3	-21.9	0	0	0	111.5	I215 S216 Q223	I215-N219 WeakPolarHBondContact O-CB 3.4Å; I215-N219 PolarHBondContact O-N 3.23Å; I215-N219 PolarHBondContact O-ND2 3.49Å; S216-N219 WeakPolarHBondContact O-CB 3.47Å; S216-N219 PolarHBondContact O-N 3Å; S216-N219 VanDerWaalsContact O-N 3.13Å; N219-Q223 WeakPolarHBondContact O-CG 3.14Å
220	L	84.4	Confident	91.9	Very high	115 Å²	115	37.2 Å²	37.2	60%	0.602	20%	0.197	S	C	*	.	H	α-helix	trans	-67.1	-47.1	176.5	-178.3	63.1	0	0	0	112.1	S216 S217 N218 N222 Q223	S216-L220 PolarHBondContact O-N 3.36Å; S217-L220 PolarHBondContact O-N 2.56Å; N218-L220 VanDerWaalsContact C-N 3.29Å; N218-L220 PolarHBondContact O-N 3.36Å; L220-N222 VanDerWaalsContact C-N 3.26Å; L220-N222 PolarHBondContact O-N 2.8Å; L220-Q223 WeakPolarHBondContact O-CG 3.22Å
221	Q	84.6	Confident	91.9	Very high	53 Å²	53	34.9 Å²	34.9	25%	0.248	19%	0.185	C	C	.	.	H	α-helix	trans	-70.3	-22.4	178.8	-70.9	-179.2	-13	0	0	112.5	S217 N218 Q226 R228 I254	S217-Q221 WeakPolarHBondContact O-CB 3.23Å; S217-Q221 WeakPolarHBondContact O-CG 3.44Å; S217-Q221 PolarHBondContact O-N 2.8Å; N218-Q221 PolarHBondContact O-N 3.34Å; Q221-Q226 WeakPolarHBondContact O-CG 3.48Å; Q221-R228 PolarHBondContact O-NE 3.14Å; Q221-R228 PolarHBondContact O-NH2 3.01Å; Q221-I254 HydrophobicContact CB-CD1 4.26Å; Q221-I254 HydrophobicContact CB-CG1 4.39Å
222	N	86.3	Confident	91.7	Very high	17 Å²	17	37.2 Å²	37.2	9%	0.091	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	18.3	-169	-153	35.5	0	0	0	112.8	M104 V106 N107 N218 L220 Q229 I254	M104-N222 WeakPolarHBondContact CE-O 3.39Å; V106-N222 WeakPolarHBondContact CG1-OD1 3.43Å; N107-N222 PolarHBondContact OD1-ND2 3.3Å; N218-N222 WeakPolarHBondContact O-CA 3.45Å; N218-N222 WeakPolarHBondContact O-CB 3.44Å; N218-N222 PolarHBondContact O-N 3.11Å; L220-N222 VanDerWaalsContact C-N 3.26Å; L220-N222 PolarHBondContact O-N 2.8Å; N222-Q229 PolarHBondContact O-NE2 3.39Å; N222-Q229 PolarHBondContact OD1-NE2 2.77Å; N222-I254 HydrophobicContact CB-CD1 4.4Å
223	Q	90.2	Very high	91.6	Very high	83 Å²	83	44.1 Å²	44.1	39%	0.388	23%	0.226	S	C	.	.	S	Bend	trans	-64.8	160.8	175.6	-62.2	-179.2	-9.5	0	0	113.1	N219 L220 F225 Q226 Q229	N219-Q223 WeakPolarHBondContact O-CG 3.14Å; L220-Q223 WeakPolarHBondContact O-CG 3.22Å; Q223-F225 PolarHBondContact O-N 3.37Å; Q223-Q226 WeakPolarHBondContact O-CB 3.46Å; Q223-Q226 WeakPolarHBondContact O-CG 3.29Å; Q223-Q226 PolarHBondContact O-N 3.28Å; Q223-Q229 WeakPolarHBondContact O-CG 3.32Å
224	L	93.8	Very high	91.6	Very high	13 Å²	13	47.1 Å²	47.1	7%	0.068	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-44	-176.2	177.2	70.1	0	0	0	114.4	Y102 M104 Q226 L230 P352 I371 I373	Y102-L224 HydrophobicContact CD1-CD1 4.06Å; Y102-L224 HydrophobicContact CE1-CD1 3.95Å; M104-L224 HydrophobicContact CG-CD1 4.29Å; L224-Q226 PolarHBondContact O-N 3.07Å; L224-L230 HydrophobicContact CD1-CD2 3.7Å; L224-L230 HydrophobicContact CG-CD2 4.24Å; L224-P352 HydrophobicContact CD1-CB 4.09Å; L224-P352 HydrophobicContact CD1-CG 4.15Å; L224-P352 HydrophobicContact CD2-CB 4.01Å; L224-I371 HydrophobicContact CD2-CG2 4.2Å; L224-I373 HydrophobicContact CD2-CD1 3.38Å; L224-I373 HydrophobicContact CD2-CG1 4Å
225	F	94	Very high	91.7	Very high	8 Å²	8	45.9 Å²	45.9	4%	0.035	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	21	-173	-67.1	-71.1	0	0	0	113.7	C50 L51 G52 A55 I59 F72 I79 I81 Q223 L349	C50-F225 HydrophobicContact CB-CD1 4.27Å; C50-F225 HydrophobicContact CB-CE1 4.46Å; C50-F225 WeakPolarHBondContact O-CB 3.2Å; L51-F225 VanDerWaalsContact CA-O 3.25Å; L51-F225 WeakPolarHBondContact CA-O 3.16Å; L51-F225 WeakPolarHBondContact CD2-O 3.44Å; G52-F225 PolarHBondContact N-O 2.81Å; G52-F225 VanDerWaalsContact N-O 3.12Å; A55-F225 HydrophobicContact CB-CB 3.52Å; A55-F225 HydrophobicContact CB-CD2 4.44Å; A55-F225 HydrophobicContact CB-CG 4.16Å; I59-F225 HydrophobicContact CD1-CE1 4.06Å; I59-F225 HydrophobicContact CD1-CE2 4.32Å; I59-F225 HydrophobicContact CD1-CZ 3.86Å; I59-F225 HydrophobicContact CG1-CD2 4.34Å; I59-F225 HydrophobicContact CG1-CE1 4.43Å; I59-F225 HydrophobicContact CG1-CE2 3.86Å; I59-F225 HydrophobicContact CG1-CZ 3.91Å; F72-F225 HydrophobicContact CE2-CE1 4.29Å; F72-F225 AromaticContact CZ-CE1 3.96Å; F72-F225 HydrophobicContact CZ-CE1 3.96Å; F72-F225 HydrophobicContact CZ-CZ 4.44Å; I79-F225 HydrophobicContact CD1-CD1 4.49Å; I79-F225 HydrophobicContact CD1-CE1 3.82Å; I79-F225 HydrophobicContact CG2-CE1 4.4Å; I79-F225 HydrophobicContact CG2-CZ 4.39Å; I81-F225 HydrophobicContact CD1-CZ 4.09Å; Q223-F225 PolarHBondContact O-N 3.37Å; F225-L349 HydrophobicContact CD2-CD1 4.39Å; F225-L349 HydrophobicContact CE2-CD1 3.94Å
226	Q	93.5	Very high	92	Very high	27 Å²	27	46.1 Å²	46.1	13%	0.126	23%	0.231	C	C	.	.	S	Bend	trans	-92.6	132.7	167.5	-58.8	-62.9	-24.7	0	0	108.6	G52 Q221 Q223 L224 R228 Q229	G52-Q226 PolarHBondContact O-NE2 3.47Å; Q221-Q226 WeakPolarHBondContact O-CG 3.48Å; Q223-Q226 WeakPolarHBondContact O-CB 3.46Å; Q223-Q226 WeakPolarHBondContact O-CG 3.29Å; Q223-Q226 PolarHBondContact O-N 3.28Å; L224-Q226 PolarHBondContact O-N 3.07Å; Q226-R228 HydrophobicContact CB-CG 3.94Å; Q226-R228 PolarHBondContact O-N 3.46Å; Q226-Q229 HydrophobicContact CB-CG 4.46Å; Q226-Q229 PolarHBondContact O-N 3.4Å
227	I	94.5	Very high	92.3	Very high	82 Å²	82	49 Å²	49	42%	0.421	24%	0.243	S	C	.	.	H	α-helix	trans	-48.9	-42.6	-176	-175.2	162.8	0	0	0	112.2	L51 L75 Q229 L230 L231	L51-I227 HydrophobicContact CD1-CB 4.47Å; L75-I227 HydrophobicContact CD1-CD1 4.48Å; L75-I227 HydrophobicContact CD1-CG1 3.9Å; I227-Q229 PolarHBondContact O-N 2.95Å; I227-Q229 VanDerWaalsContact O-N 3.12Å; I227-L230 PolarHBondContact O-N 2.91Å; I227-L230 VanDerWaalsContact O-N 3.1Å; I227-L231 PolarHBondContact O-N 2.72Å
228	R	95	Very high	92.7	Very high	13 Å²	13	51.1 Å²	51.1	5%	0.049	25%	0.251	C	S	.	.	H	α-helix	trans	-54.6	-27.8	177.7	57.8	179.7	161.5	-115.4	1.6	114.8	V106 Q221 Q226 F249 E250 I251	V106-R228 HydrophobicContact CG2-CB 3.81Å; V106-R228 HydrophobicContact CG2-CG 3.94Å; Q221-R228 PolarHBondContact O-NE 3.14Å; Q221-R228 PolarHBondContact O-NH2 3.01Å; Q226-R228 HydrophobicContact CB-CG 3.94Å; Q226-R228 PolarHBondContact O-N 3.46Å; R228-F249 HydrophobicContact CB-CB 4.47Å; R228-F249 PolarHBondContact NH1-O 2.92Å; R228-E250 PolarHBondContact NH1-O 3.37Å; R228-E250 VanDerWaalsContact NH1-O 3.13Å; R228-E250 IonicContact NH1-OE2 2.9Å; R228-I251 HydrophobicContact CB-CD1 4.43Å; R228-I251 HydrophobicContact CB-CG1 4.45Å
229	Q	96.2	Very high	93.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-87.4	-18.8	-179.2	-66	-67.4	27.6	0	0	114.7	M104 T105 N107 N222 Q223 Q226 I227	M104-Q229 HydrophobicContact CE-CG 4.06Å; T105-Q229 VanDerWaalsContact N-OE1 3.16Å; N107-Q229 PolarHBondContact OD1-NE2 2.86Å; N222-Q229 PolarHBondContact O-NE2 3.39Å; N222-Q229 PolarHBondContact OD1-NE2 2.77Å; Q223-Q229 WeakPolarHBondContact O-CG 3.32Å; Q226-Q229 HydrophobicContact CB-CG 4.46Å; Q226-Q229 PolarHBondContact O-N 3.4Å; I227-Q229 PolarHBondContact O-N 2.95Å; I227-Q229 VanDerWaalsContact O-N 3.12Å
230	L	95.5	Very high	93.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-99.7	0.6	-179.9	-62.8	174.2	0	0	0	112.2	L51 V74 L75 K77 I79 L224 I227 I371	L51-L230 HydrophobicContact CD2-CD1 3.57Å; V74-L230 HydrophobicContact CG1-CD1 3.88Å; V74-L230 HydrophobicContact CG2-CD1 4.2Å; L75-L230 HydrophobicContact CD1-CB 3.99Å; K77-L230 HydrophobicContact CD-CB 4.17Å; K77-L230 HydrophobicContact CD-CD2 3.86Å; K77-L230 WeakPolarHBondContact CE-O 3.36Å; I79-L230 HydrophobicContact CD1-CD2 4.38Å; L224-L230 HydrophobicContact CD1-CD2 3.7Å; L224-L230 HydrophobicContact CG-CD2 4.24Å; I227-L230 PolarHBondContact O-N 2.91Å; I227-L230 VanDerWaalsContact O-N 3.1Å; L230-I371 HydrophobicContact CD2-CD1 4.18Å
231	L	95.3	Very high	94	Very high	21 Å²	21	53.2 Å²	53.2	11%	0.11	25%	0.253	C	S	.	.	S	Bend	trans	-65.7	151.7	173.2	-65.5	174.7	0	0	0	111.6	T105 I227 C235 F239 F249	T105-L231 HydrophobicContact CG2-CB 4.38Å; T105-L231 PolarHBondContact OG1-O 3.21Å; I227-L231 PolarHBondContact O-N 2.72Å; L231-C235 HydrophobicContact CB-CB 4.22Å; L231-F239 HydrophobicContact CD1-CE2 4.08Å; L231-F239 HydrophobicContact CD1-CZ 3.58Å; L231-F249 HydrophobicContact CD1-CD1 3.73Å; L231-F249 HydrophobicContact CD1-CE1 3.58Å; L231-F249 HydrophobicContact CD1-CG 4.27Å; L231-F249 HydrophobicContact CD1-CZ 3.99Å; L231-F249 HydrophobicContact CD2-CE1 4.2Å; L231-F249 HydrophobicContact CG-CE1 4.43Å
232	P	93.9	Very high	94.6	Very high	57 Å²	57	52.5 Å²	52.5	37%	0.37	25%	0.254	S	S	.	.			trans	-57.3	151.6	173.6	-26.4	36.1	0	0	0	113.5	F234 C235	P232-F234 HydrophobicContact CB-CD1 3.49Å; P232-F234 VanDerWaalsContact CB-CD1 3.49Å; P232-F234 HydrophobicContact CB-CE1 3.27Å; P232-F234 HydrophobicContact CB-CG 4.41Å; P232-F234 HydrophobicContact CB-CZ 4.05Å; P232-F234 HydrophobicContact CG-CD1 4.4Å; P232-F234 HydrophobicContact CG-CE1 3.69Å; P232-F234 HydrophobicContact CG-CZ 4.17Å; P232-F234 PolarHBondContact O-N 3.49Å; P232-C235 WeakPolarHBondContact O-CB 3.46Å; P232-C235 PolarHBondContact O-N 3.14Å; P232-C235 PolarHBondContact O-SG 3.47Å
233	R	91.7	Very high	95	Very high	145 Å²	145	57.7 Å²	57.7	55%	0.547	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-26.3	-176.8	-70.7	-165.6	-175.3	-176.4	4.8	114.4	T103 C235 V236	T103-R233 PolarHBondContact OG1-NH2 3.03Å; R233-C235 PolarHBondContact O-N 2.93Å; R233-C235 VanDerWaalsContact O-N 3.14Å; R233-V236 WeakPolarHBondContact O-CB 3.46Å; R233-V236 WeakPolarHBondContact O-CG2 3.2Å; R233-V236 PolarHBondContact O-N 2.68Å
234	F	94	Very high	95.4	Very high	139 Å²	139	61 Å²	61	61%	0.61	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.6	175.9	71.8	-103.7	0	0	0	112.1	P232 V236 N237 I238	P232-F234 HydrophobicContact CB-CD1 3.49Å; P232-F234 VanDerWaalsContact CB-CD1 3.49Å; P232-F234 HydrophobicContact CB-CE1 3.27Å; P232-F234 HydrophobicContact CB-CG 4.41Å; P232-F234 HydrophobicContact CB-CZ 4.05Å; P232-F234 HydrophobicContact CG-CD1 4.4Å; P232-F234 HydrophobicContact CG-CE1 3.69Å; P232-F234 HydrophobicContact CG-CZ 4.17Å; P232-F234 PolarHBondContact O-N 3.49Å; F234-V236 PolarHBondContact O-N 3.18Å; F234-N237 PolarHBondContact O-N 3.08Å; F234-N237 VanDerWaalsContact O-N 3.16Å; F234-I238 HydrophobicContact CD2-CD1 3.94Å; F234-I238 HydrophobicContact CE2-CD1 3.91Å
235	C	96.6	Very high	95.5	Very high	13 Å²	13	60.8 Å²	60.8	9%	0.088	29%	0.291	C	S	.	.	H	α-helix	trans	-61.9	-23.8	174.4	-63.2	0	0	0	0	112.8	T105 L231 P232 R233 N237 I238 F239	T105-C235 HydrophobicContact CG2-CB 4.32Å; L231-C235 HydrophobicContact CB-CB 4.22Å; P232-C235 WeakPolarHBondContact O-CB 3.46Å; P232-C235 PolarHBondContact O-N 3.14Å; P232-C235 PolarHBondContact O-SG 3.47Å; R233-C235 PolarHBondContact O-N 2.93Å; R233-C235 VanDerWaalsContact O-N 3.14Å; C235-N237 VanDerWaalsContact C-N 3.28Å; C235-N237 PolarHBondContact O-N 3.23Å; C235-I238 WeakPolarHBondContact O-CB 3.25Å; C235-I238 PolarHBondContact O-N 3.25Å; C235-I238 VanDerWaalsContact O-N 3.1Å; C235-F239 HydrophobicContact CB-CD2 4.33Å; C235-F239 HydrophobicContact CB-CE2 3.81Å; C235-F239 HydrophobicContact CB-CZ 4.14Å; C235-F239 WeakPolarHBondContact O-CD2 3.29Å; C235-F239 VanDerWaalsContact O-CG 3.28Å; C235-F239 WeakPolarHBondContact O-CG 3.34Å; C235-F239 PolarHBondContact O-N 3.15Å
236	V	97	Very high	95.7	Very high	7 Å²	7	62.9 Å²	62.9	4%	0.042	30%	0.299	C	S	.	.	H	α-helix	trans	-56.4	-45.5	173.7	176	0	0	0	0	110.6	T105 D108 L109 R233 F234 I238 F239 K240	T105-V236 HydrophobicContact CG2-CG2 3.89Å; T105-V236 WeakPolarHBondContact O-CG2 3.42Å; D108-V236 HydrophobicContact CB-CG2 4.08Å; L109-V236 HydrophobicContact CB-CG1 4.2Å; L109-V236 HydrophobicContact CD1-CG1 4.14Å; R233-V236 WeakPolarHBondContact O-CB 3.46Å; R233-V236 WeakPolarHBondContact O-CG2 3.2Å; R233-V236 PolarHBondContact O-N 2.68Å; F234-V236 PolarHBondContact O-N 3.18Å; V236-I238 VanDerWaalsContact C-N 3.3Å; V236-I238 PolarHBondContact O-N 2.75Å; V236-F239 PolarHBondContact O-N 2.93Å; V236-K240 HydrophobicContact CG1-CD 4.45Å; V236-K240 WeakPolarHBondContact O-CG 3.42Å; V236-K240 PolarHBondContact O-N 2.99Å
237	N	96.4	Very high	95.8	Very high	104 Å²	104	68.8 Å²	68.8	56%	0.556	32%	0.324	S	S	*	.	H	α-helix	trans	-66.6	-34.3	178.5	-75.6	3.4	0	0	0	112	F234 C235 H241	F234-N237 PolarHBondContact O-N 3.08Å; F234-N237 VanDerWaalsContact O-N 3.16Å; C235-N237 VanDerWaalsContact C-N 3.28Å; C235-N237 PolarHBondContact O-N 3.23Å; N237-H241 PolarHBondContact O-N 2.82Å; N237-H241 PolarHBondContact O-ND1 2.92Å
238	I	97.4	Very high	95.8	Very high	79 Å²	79	70 Å²	70	41%	0.405	33%	0.331	S	S	.	.	H	α-helix	trans	-63.8	-48.2	174	-58.4	177.3	0	0	0	109.9	F234 C235 V236 K240 H241 S242 A245	F234-I238 HydrophobicContact CD2-CD1 3.94Å; F234-I238 HydrophobicContact CE2-CD1 3.91Å; C235-I238 WeakPolarHBondContact O-CB 3.25Å; C235-I238 PolarHBondContact O-N 3.25Å; C235-I238 VanDerWaalsContact O-N 3.1Å; V236-I238 VanDerWaalsContact C-N 3.3Å; V236-I238 PolarHBondContact O-N 2.75Å; I238-K240 VanDerWaalsContact C-N 3.32Å; I238-K240 PolarHBondContact O-N 2.94Å; I238-H241 PolarHBondContact O-N 3.33Å; I238-S242 WeakPolarHBondContact O-CB 3.41Å; I238-S242 PolarHBondContact O-N 3.06Å; I238-A245 HydrophobicContact CG2-CB 3.82Å
239	F	97.4	Very high	95.9	Very high	2 Å²	2	72.2 Å²	72.2	1%	0.009	34%	0.341	C	S	.	.	H	α-helix	trans	-66.4	-30.9	-179.5	-61.6	-38.2	0	0	0	113.6	T105 L109 L231 C235 V236 H241 A245 R246 F249 I251	T105-F239 HydrophobicContact CG2-CE2 4.24Å; L109-F239 HydrophobicContact CD1-CB 4.29Å; L109-F239 HydrophobicContact CD2-CB 3.65Å; L109-F239 HydrophobicContact CD2-CD2 4.42Å; L109-F239 HydrophobicContact CD2-CG 4.41Å; L231-F239 HydrophobicContact CD1-CE2 4.08Å; L231-F239 HydrophobicContact CD1-CZ 3.58Å; C235-F239 HydrophobicContact CB-CD2 4.33Å; C235-F239 HydrophobicContact CB-CE2 3.81Å; C235-F239 HydrophobicContact CB-CZ 4.14Å; C235-F239 WeakPolarHBondContact O-CD2 3.29Å; C235-F239 VanDerWaalsContact O-CG 3.28Å; C235-F239 WeakPolarHBondContact O-CG 3.34Å; C235-F239 PolarHBondContact O-N 3.15Å; V236-F239 PolarHBondContact O-N 2.93Å; F239-H241 VanDerWaalsContact C-N 3.34Å; F239-A245 HydrophobicContact CD1-CB 3.84Å; F239-A245 HydrophobicContact CE1-CB 4.07Å; F239-R246 HydrophobicContact CB-CG 4.25Å; F239-R246 WeakPolarHBondContact O-CD 3.34Å; F239-R246 VanDerWaalsContact O-CG 3.29Å; F239-R246 WeakPolarHBondContact O-CG 3.25Å; F239-R246 PolarHBondContact O-NH1 2.87Å; F239-F249 HydrophobicContact CE1-CB 4.14Å; F239-F249 AromaticContact CE1-CD2 3.52Å; F239-F249 HydrophobicContact CE1-CD2 3.52Å; F239-F249 HydrophobicContact CE1-CE2 4.15Å; F239-F249 AromaticContact CE1-CG 4Å; F239-F249 HydrophobicContact CE1-CG 4Å; F239-F249 HydrophobicContact CZ-CB 4.19Å; F239-F249 AromaticContact CZ-CD2 3.86Å; F239-F249 HydrophobicContact CZ-CD2 3.86Å; F239-F249 HydrophobicContact CZ-CE2 4.38Å; F239-F249 AromaticContact CZ-CG 3.98Å; F239-F249 HydrophobicContact CZ-CG 3.98Å; F239-I251 HydrophobicContact CD1-CD1 3.78Å; F239-I251 HydrophobicContact CD2-CD1 3.64Å; F239-I251 HydrophobicContact CE1-CD1 3.66Å; F239-I251 HydrophobicContact CE2-CD1 3.49Å; F239-I251 VanDerWaalsContact CE2-CD1 3.49Å; F239-I251 HydrophobicContact CG-CD1 3.79Å; F239-I251 HydrophobicContact CZ-CD1 3.5Å
240	K	95.5	Very high	95.8	Very high	95 Å²	95	78.9 Å²	78.9	41%	0.413	37%	0.372	S	S	.	.	H	α-helix	trans	-61	-42.9	173	-75.8	-179.2	177.7	-176.3	0	111.9	L109 V236 I238 R246	L109-K240 HydrophobicContact CD1-CB 4.49Å; L109-K240 HydrophobicContact CD1-CD 4.37Å; L109-K240 HydrophobicContact CD1-CG 3.41Å; L109-K240 VanDerWaalsContact CD1-CG 3.41Å; V236-K240 HydrophobicContact CG1-CD 4.45Å; V236-K240 WeakPolarHBondContact O-CG 3.42Å; V236-K240 PolarHBondContact O-N 2.99Å; I238-K240 VanDerWaalsContact C-N 3.32Å; I238-K240 PolarHBondContact O-N 2.94Å; K240-R246 PolarHBondContact O-NH1 3.25Å
241	H	96	Very high	95.8	Very high	159 Å²	159	78.9 Å²	78.9	74%	0.736	37%	0.372	S	S	*	.	H	α-helix	trans	-102.4	-17.3	-169.5	-59.4	91.4	0	0	0	114.7	N237 I238 F239	N237-H241 PolarHBondContact O-N 2.82Å; N237-H241 PolarHBondContact O-ND1 2.92Å; I238-H241 PolarHBondContact O-N 3.33Å; F239-H241 VanDerWaalsContact C-N 3.34Å
242	S	96.6	Very high	95.8	Very high	39 Å²	39	80.9 Å²	80.9	27%	0.273	38%	0.381	S	S	.	.			trans	-114.7	108.8	-177	179.3	0	0	0	0	111.8	I238 F244 A245 R246	I238-S242 WeakPolarHBondContact O-CB 3.41Å; I238-S242 PolarHBondContact O-N 3.06Å; S242-F244 VanDerWaalsContact C-N 3.3Å; S242-A245 PolarHBondContact O-N 2.91Å; S242-A245 WeakPolarHBondContact OG-CB 3.42Å; S242-A245 PolarHBondContact OG-N 3.29Å; S242-A245 VanDerWaalsContact OG-N 3.09Å; S242-R246 PolarHBondContact O-N 2.94Å
243	Q	95.4	Very high	95.8	Very high	126 Å²	126	82.9 Å²	82.9	59%	0.589	39%	0.385	S	S	*	.	H	α-helix	trans	-61.7	-41.3	171	-169.9	178.8	-0.4	0	0	111.6	A245 R246 K247 E252	Q243-A245 VanDerWaalsContact C-N 3.3Å; Q243-A245 PolarHBondContact O-N 3.46Å; Q243-R246 PolarHBondContact O-N 3.18Å; Q243-R246 VanDerWaalsContact O-N 3.1Å; Q243-K247 PolarHBondContact O-N 3.39Å; Q243-E252 WeakPolarHBondContact CG-OE1 3.33Å; Q243-E252 PolarHBondContact NE2-OE1 3.28Å; Q243-E252 VanDerWaalsContact NE2-OE1 3.08Å
244	F	96.9	Very high	96	Very high	152 Å²	152	76 Å²	76	67%	0.667	36%	0.359	S	S	*	.	H	α-helix	trans	-55.9	-44.8	176.1	175.8	-100.6	0	0	0	111.8	S242 R246 K247 L248	S242-F244 VanDerWaalsContact C-N 3.3Å; F244-R246 PolarHBondContact O-N 2.95Å; F244-K247 PolarHBondContact O-N 3.17Å; F244-L248 HydrophobicContact CE1-CD2 4.17Å; F244-L248 WeakPolarHBondContact O-CB 3.5Å; F244-L248 PolarHBondContact O-N 2.83Å
245	A	96.8	Very high	96.1	Very high	8 Å²	8	70.5 Å²	70.5	7%	0.066	34%	0.336	C	S	.	.	H	α-helix	trans	-63.7	-40.3	177.2	0	0	0	0	0	112.1	I238 F239 S242 Q243 K247 L248 F249	I238-A245 HydrophobicContact CG2-CB 3.82Å; F239-A245 HydrophobicContact CD1-CB 3.84Å; F239-A245 HydrophobicContact CE1-CB 4.07Å; S242-A245 PolarHBondContact O-N 2.91Å; S242-A245 WeakPolarHBondContact OG-CB 3.42Å; S242-A245 PolarHBondContact OG-N 3.29Å; S242-A245 VanDerWaalsContact OG-N 3.09Å; Q243-A245 VanDerWaalsContact C-N 3.3Å; Q243-A245 PolarHBondContact O-N 3.46Å; A245-K247 VanDerWaalsContact C-N 3.32Å; A245-K247 PolarHBondContact O-N 2.86Å; A245-L248 PolarHBondContact O-N 3.43Å; A245-F249 WeakPolarHBondContact O-CD2 3.01Å; A245-F249 PolarHBondContact O-N 2.95Å; A245-F249 VanDerWaalsContact O-N 3.1Å
246	R	97.3	Very high	96.1	Very high	53 Å²	53	77.3 Å²	77.3	20%	0.2	36%	0.361	C	S	.	.	H	α-helix	trans	-63	-39.2	175.8	-66.1	-171.2	-63.3	-95.7	7.7	112.3	F239 K240 S242 Q243 F244 E250 I251 E252 I255	F239-R246 HydrophobicContact CB-CG 4.25Å; F239-R246 WeakPolarHBondContact O-CD 3.34Å; F239-R246 VanDerWaalsContact O-CG 3.29Å; F239-R246 WeakPolarHBondContact O-CG 3.25Å; F239-R246 PolarHBondContact O-NH1 2.87Å; K240-R246 PolarHBondContact O-NH1 3.25Å; S242-R246 PolarHBondContact O-N 2.94Å; Q243-R246 PolarHBondContact O-N 3.18Å; Q243-R246 VanDerWaalsContact O-N 3.1Å; F244-R246 PolarHBondContact O-N 2.95Å; R246-E250 PolarHBondContact O-N 2.68Å; R246-I251 HydrophobicContact CB-CB 4.38Å; R246-I251 PolarHBondContact O-N 3.43Å; R246-E252 HydrophobicContact CB-CG 3.61Å; R246-I255 VanDerWaalsContact CD-CD1 3.44Å; R246-I255 HydrophobicContact CG-CD1 4.33Å
247	K	96	Very high	96.1	Very high	150 Å²	150	78 Å²	78	65%	0.652	36%	0.363	S	S	*	.	H	α-helix	trans	-67.7	-45.7	175.9	-173.9	173.4	-179.8	175.5	0	111.5	Q243 F244 A245 F249 E250	Q243-K247 PolarHBondContact O-N 3.39Å; F244-K247 PolarHBondContact O-N 3.17Å; A245-K247 VanDerWaalsContact C-N 3.32Å; A245-K247 PolarHBondContact O-N 2.86Å; K247-F249 VanDerWaalsContact C-N 3.28Å; K247-F249 PolarHBondContact O-N 3.28Å; K247-E250 PolarHBondContact O-N 3.19Å; K247-E250 VanDerWaalsContact O-N 3.12Å
248	L	95.8	Very high	96.1	Very high	108 Å²	108	73.4 Å²	73.4	57%	0.565	34%	0.338	S	S	*	.	H	α-helix	trans	-59	-37.3	-179.7	-179.8	63.3	0	0	0	113	F244 A245	F244-L248 HydrophobicContact CE1-CD2 4.17Å; F244-L248 WeakPolarHBondContact O-CB 3.5Å; F244-L248 PolarHBondContact O-N 2.83Å; A245-L248 PolarHBondContact O-N 3.43Å
249	F	95.5	Very high	96.1	Very high	59 Å²	59	75.4 Å²	75.4	26%	0.259	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	11.8	179.6	-71.6	-82.7	0	0	0	113.6	R228 L231 F239 A245 K247 I251	R228-F249 HydrophobicContact CB-CB 4.47Å; R228-F249 PolarHBondContact NH1-O 2.92Å; L231-F249 HydrophobicContact CD1-CD1 3.73Å; L231-F249 HydrophobicContact CD1-CE1 3.58Å; L231-F249 HydrophobicContact CD1-CG 4.27Å; L231-F249 HydrophobicContact CD1-CZ 3.99Å; L231-F249 HydrophobicContact CD2-CE1 4.2Å; L231-F249 HydrophobicContact CG-CE1 4.43Å; F239-F249 HydrophobicContact CE1-CB 4.14Å; F239-F249 AromaticContact CE1-CD2 3.52Å; F239-F249 HydrophobicContact CE1-CD2 3.52Å; F239-F249 HydrophobicContact CE1-CE2 4.15Å; F239-F249 AromaticContact CE1-CG 4Å; F239-F249 HydrophobicContact CE1-CG 4Å; F239-F249 HydrophobicContact CZ-CB 4.19Å; F239-F249 AromaticContact CZ-CD2 3.86Å; F239-F249 HydrophobicContact CZ-CD2 3.86Å; F239-F249 HydrophobicContact CZ-CE2 4.38Å; F239-F249 AromaticContact CZ-CG 3.98Å; F239-F249 HydrophobicContact CZ-CG 3.98Å; A245-F249 WeakPolarHBondContact O-CD2 3.01Å; A245-F249 PolarHBondContact O-N 2.95Å; A245-F249 VanDerWaalsContact O-N 3.1Å; K247-F249 VanDerWaalsContact C-N 3.28Å; K247-F249 PolarHBondContact O-N 3.28Å; F249-I251 HydrophobicContact CB-CD1 3.73Å; F249-I251 HydrophobicContact CB-CG1 3.9Å; F249-I251 WeakPolarHBondContact O-CG1 3.28Å; F249-I251 PolarHBondContact O-N 3.16Å
250	E	94.1	Very high	96.2	Very high	140 Å²	140	77.7 Å²	77.7	65%	0.654	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	48.7	178.2	-61.3	167.3	-143	0	0	112.9	R228 R246 K247	R228-E250 PolarHBondContact NH1-O 3.37Å; R228-E250 VanDerWaalsContact NH1-O 3.13Å; R228-E250 IonicContact NH1-OE2 2.9Å; R246-E250 PolarHBondContact O-N 2.68Å; K247-E250 PolarHBondContact O-N 3.19Å; K247-E250 VanDerWaalsContact O-N 3.12Å
251	I	95.6	Very high	96.3	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	34%	0.339	C	S	.	.			trans	-103.5	-19.9	-177.5	-54.6	174.5	0	0	0	111.4	V106 L109 R228 F239 R246 F249 E253 I254 I255	V106-I251 HydrophobicContact CG1-CG2 3.89Å; V106-I251 HydrophobicContact CG2-CD1 3.96Å; V106-I251 HydrophobicContact CG2-CG1 4.2Å; L109-I251 HydrophobicContact CD2-CG2 3.97Å; R228-I251 HydrophobicContact CB-CD1 4.43Å; R228-I251 HydrophobicContact CB-CG1 4.45Å; F239-I251 HydrophobicContact CD1-CD1 3.78Å; F239-I251 HydrophobicContact CD2-CD1 3.64Å; F239-I251 HydrophobicContact CE1-CD1 3.66Å; F239-I251 HydrophobicContact CE2-CD1 3.49Å; F239-I251 VanDerWaalsContact CE2-CD1 3.49Å; F239-I251 HydrophobicContact CG-CD1 3.79Å; F239-I251 HydrophobicContact CZ-CD1 3.5Å; R246-I251 HydrophobicContact CB-CB 4.38Å; R246-I251 PolarHBondContact O-N 3.43Å; F249-I251 HydrophobicContact CB-CD1 3.73Å; F249-I251 HydrophobicContact CB-CG1 3.9Å; F249-I251 WeakPolarHBondContact O-CG1 3.28Å; F249-I251 PolarHBondContact O-N 3.16Å; I251-E253 PolarHBondContact O-N 2.95Å; I251-I254 PolarHBondContact O-N 3.36Å; I251-I255 HydrophobicContact CG2-CD1 3.64Å; I251-I255 HydrophobicContact CG2-CG1 3.95Å; I251-I255 WeakPolarHBondContact O-CG1 3.34Å; I251-I255 PolarHBondContact O-N 3.17Å
252	E	95.4	Very high	96.3	Very high	64 Å²	64	67.4 Å²	67.4	30%	0.299	31%	0.31	S	S	.	.	H	α-helix	trans	-58.8	-46.8	-175.6	-70.6	-165.8	136.3	0	0	113	Q243 R246 I254 I255 Y256	Q243-E252 WeakPolarHBondContact CG-OE1 3.33Å; Q243-E252 PolarHBondContact NE2-OE1 3.28Å; Q243-E252 VanDerWaalsContact NE2-OE1 3.08Å; R246-E252 HydrophobicContact CB-CG 3.61Å; E252-I254 PolarHBondContact O-N 3.43Å; E252-I255 PolarHBondContact O-N 2.95Å; E252-Y256 WeakPolarHBondContact O-CB 3.5Å; E252-Y256 PolarHBondContact O-N 3.01Å
253	E	94.3	Very high	96.3	Very high	99 Å²	99	71 Å²	71	46%	0.463	32%	0.323	S	S	.	.	H	α-helix	trans	-63.6	-42.5	179	-168.2	-174.2	172.6	0	0	111.6	I251 I255 Y256 K257	I251-E253 PolarHBondContact O-N 2.95Å; E253-I255 VanDerWaalsContact C-N 3.34Å; E253-I255 PolarHBondContact O-N 2.66Å; E253-Y256 PolarHBondContact O-N 2.96Å; E253-K257 HydrophobicContact CG-CD 4.2Å; E253-K257 WeakPolarHBondContact O-CG 3.2Å; E253-K257 PolarHBondContact O-N 3.26Å; E253-K257 WeakPolarHBondContact OE1-CE 3.28Å; E253-K257 IonicContact OE1-NZ 3.31Å; E253-K257 PolarHBondContact OE1-NZ 3.49Å
254	I	95.3	Very high	96.4	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-59.3	-46.7	177.3	-64	173.7	0	0	0	110.6	V106 L110 N218 Q221 N222 I251 E252 Y258	V106-I254 HydrophobicContact CG1-CG2 4.14Å; L110-I254 HydrophobicContact CD1-CG2 3.87Å; N218-I254 PolarHBondContact ND2-O 3.15Å; N218-I254 WeakPolarHBondContact OD1-CA 3.46Å; Q221-I254 HydrophobicContact CB-CD1 4.26Å; Q221-I254 HydrophobicContact CB-CG1 4.39Å; N222-I254 HydrophobicContact CB-CD1 4.4Å; I251-I254 PolarHBondContact O-N 3.36Å; E252-I254 PolarHBondContact O-N 3.43Å; I254-Y258 WeakPolarHBondContact O-CB 3.24Å; I254-Y258 PolarHBondContact O-N 3.44Å
255	I	96.7	Very high	96.4	Very high	23 Å²	23	59.4 Å²	59.4	12%	0.118	27%	0.272	C	S	.	.	H	α-helix	trans	-62.9	-44	177.2	-71.6	163.3	0	0	0	110.8	L109 L110 R246 I251 E252 E253 Y258 K259	L109-I255 HydrophobicContact CD2-CD1 3.86Å; L109-I255 HydrophobicContact CD2-CG1 4.43Å; L110-I255 HydrophobicContact CD2-CB 4.27Å; L110-I255 HydrophobicContact CD2-CG1 3.62Å; R246-I255 VanDerWaalsContact CD-CD1 3.44Å; R246-I255 HydrophobicContact CG-CD1 4.33Å; I251-I255 HydrophobicContact CG2-CD1 3.64Å; I251-I255 HydrophobicContact CG2-CG1 3.95Å; I251-I255 WeakPolarHBondContact O-CG1 3.34Å; I251-I255 PolarHBondContact O-N 3.17Å; E252-I255 PolarHBondContact O-N 2.95Å; E253-I255 VanDerWaalsContact C-N 3.34Å; E253-I255 PolarHBondContact O-N 2.66Å; I255-Y258 PolarHBondContact O-N 3.14Å; I255-K259 HydrophobicContact CG2-CD 3.91Å; I255-K259 HydrophobicContact CG2-CG 4.31Å; I255-K259 WeakPolarHBondContact O-CB 3.46Å; I255-K259 WeakPolarHBondContact O-CG 3.44Å; I255-K259 PolarHBondContact O-N 2.84Å
256	Y	97	Very high	96.3	Very high	156 Å²	156	61.8 Å²	61.8	61%	0.612	28%	0.283	S	S	*	.	H	α-helix	trans	-59.6	-57.1	-179.8	174.6	-99.2	0	0	0	110.9	E252 E253 Y258 K259 T260	E252-Y256 WeakPolarHBondContact O-CB 3.5Å; E252-Y256 PolarHBondContact O-N 3.01Å; E253-Y256 PolarHBondContact O-N 2.96Å; Y256-Y258 VanDerWaalsContact C-N 3.32Å; Y256-Y258 PolarHBondContact O-N 3.32Å; Y256-K259 PolarHBondContact O-N 3.46Å; Y256-K259 VanDerWaalsContact O-N 3.13Å; Y256-T260 PolarHBondContact O-N 3.24Å; Y256-T260 PolarHBondContact O-OG1 2.78Å; Y256-T260 VanDerWaalsContact O-OG1 3.07Å
257	K	97	Very high	96.2	Very high	22 Å²	22	65.5 Å²	65.5	10%	0.096	31%	0.307	C	S	.	.	H	α-helix	trans	-55.7	-45.9	177.8	-73.8	176.3	166.3	165.7	0	111.9	D214 S217 N218 E253 K259 T260 V261	D214-K257 HydrophobicContact CB-CB 4.25Å; D214-K257 HydrophobicContact CB-CG 4.31Å; D214-K257 WeakPolarHBondContact OD1-CE 3.46Å; S217-K257 PolarHBondContact OG-NZ 2.86Å; N218-K257 VanDerWaalsContact ND2-CB 3.29Å; N218-K257 WeakPolarHBondContact ND2-CB 3.36Å; N218-K257 WeakPolarHBondContact OD1-CD 3.22Å; E253-K257 HydrophobicContact CG-CD 4.2Å; E253-K257 WeakPolarHBondContact O-CG 3.2Å; E253-K257 PolarHBondContact O-N 3.26Å; E253-K257 WeakPolarHBondContact OE1-CE 3.28Å; E253-K257 IonicContact OE1-NZ 3.31Å; E253-K257 PolarHBondContact OE1-NZ 3.49Å; K257-K259 PolarHBondContact O-N 2.91Å; K257-T260 PolarHBondContact O-N 3.19Å; K257-V261 VanDerWaalsContact O-CG2 3.28Å; K257-V261 WeakPolarHBondContact O-CG2 3.41Å; K257-V261 PolarHBondContact O-N 2.67Å
258	Y	97	Very high	96.1	Very high	7 Å²	7	60.8 Å²	60.8	3%	0.027	29%	0.289	C	S	.	.	H	α-helix	trans	-59.5	-46.7	177.3	172.8	-104.1	0	0	0	112.4	L110 N218 I254 I255 Y256 R262 R297 F300	L110-Y258 HydrophobicContact CB-CD1 3.97Å; L110-Y258 HydrophobicContact CB-CE1 3.82Å; L110-Y258 HydrophobicContact CB-CE2 4.44Å; L110-Y258 HydrophobicContact CB-CG 4.29Å; L110-Y258 HydrophobicContact CD1-CD2 4.42Å; L110-Y258 HydrophobicContact CD1-CG 4.17Å; L110-Y258 HydrophobicContact CD2-CD1 3.69Å; L110-Y258 HydrophobicContact CD2-CE1 4.34Å; L110-Y258 HydrophobicContact CD2-CG 3.97Å; L110-Y258 HydrophobicContact CG-CD1 4.26Å; L110-Y258 HydrophobicContact CG-CG 4.36Å; L110-Y258 WeakPolarHBondContact O-CE1 3.45Å; L110-Y258 PolarHBondContact O-OH 3.2Å; N218-Y258 PolarHBondContact ND2-N 3.32Å; I254-Y258 WeakPolarHBondContact O-CB 3.24Å; I254-Y258 PolarHBondContact O-N 3.44Å; I255-Y258 PolarHBondContact O-N 3.14Å; Y256-Y258 VanDerWaalsContact C-N 3.32Å; Y256-Y258 PolarHBondContact O-N 3.32Å; Y258-R262 WeakPolarHBondContact O-CB 3.23Å; Y258-R262 PolarHBondContact O-N 2.95Å; Y258-R297 PolarHBondContact OH-NH1 3.43Å; Y258-R297 VanDerWaalsContact OH-NH1 3.08Å; Y258-F300 HydrophobicContact CD2-CD1 4.45Å; Y258-F300 HydrophobicContact CD2-CD2 4.15Å; Y258-F300 HydrophobicContact CD2-CE1 4.05Å; Y258-F300 AromaticContact CD2-CE2 3.71Å; Y258-F300 HydrophobicContact CD2-CE2 3.71Å; Y258-F300 AromaticContact CD2-CZ 3.66Å; Y258-F300 HydrophobicContact CD2-CZ 3.66Å; Y258-F300 AromaticContact CE2-CD1 3.77Å; Y258-F300 HydrophobicContact CE2-CD1 3.77Å; Y258-F300 AromaticContact CE2-CD2 3.94Å; Y258-F300 HydrophobicContact CE2-CD2 3.94Å; Y258-F300 AromaticContact CE2-CE1 3.75Å; Y258-F300 HydrophobicContact CE2-CE1 3.75Å; Y258-F300 AromaticContact CE2-CE2 3.92Å; Y258-F300 HydrophobicContact CE2-CE2 3.92Å; Y258-F300 AromaticContact CE2-CG 3.88Å; Y258-F300 HydrophobicContact CE2-CG 3.88Å; Y258-F300 AromaticContact CE2-CZ 3.83Å; Y258-F300 HydrophobicContact CE2-CZ 3.83Å
259	K	97.6	Very high	95.8	Very high	121 Å²	121	56 Å²	56	53%	0.526	27%	0.265	S	S	.	.	H	α-helix	trans	-64.3	-42.1	178.8	-77.2	-178.3	175.7	-175.2	0	111.6	I255 Y256 K257 R262 Q263	I255-K259 HydrophobicContact CG2-CD 3.91Å; I255-K259 HydrophobicContact CG2-CG 4.31Å; I255-K259 WeakPolarHBondContact O-CB 3.46Å; I255-K259 WeakPolarHBondContact O-CG 3.44Å; I255-K259 PolarHBondContact O-N 2.84Å; Y256-K259 PolarHBondContact O-N 3.46Å; Y256-K259 VanDerWaalsContact O-N 3.13Å; K257-K259 PolarHBondContact O-N 2.91Å; K259-R262 PolarHBondContact O-N 3.34Å; K259-Q263 VanDerWaalsContact O-CB 3.31Å; K259-Q263 WeakPolarHBondContact O-CB 3.42Å; K259-Q263 VanDerWaalsContact O-CG 3.24Å; K259-Q263 WeakPolarHBondContact O-CG 3.48Å; K259-Q263 PolarHBondContact O-N 3.45Å
260	T	98	Very high	95.1	Very high	50 Å²	50	55.1 Å²	55.1	31%	0.307	27%	0.272	S	S	.	.	H	α-helix	trans	-58.5	-51.7	176.9	-60.3	0	0	0	0	111.2	Y256 K257 R262 Q263 L264	Y256-T260 PolarHBondContact O-N 3.24Å; Y256-T260 PolarHBondContact O-OG1 2.78Å; Y256-T260 VanDerWaalsContact O-OG1 3.07Å; K257-T260 PolarHBondContact O-N 3.19Å; T260-R262 PolarHBondContact O-N 3.39Å; T260-Q263 PolarHBondContact O-N 3.2Å; T260-L264 WeakPolarHBondContact O-CB 3.47Å; T260-L264 PolarHBondContact O-N 2.91Å
261	V	97.8	Very high	94.3	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.012	28%	0.28	C	S	.	.	H	α-helix	trans	-59.6	-47	177.8	173.8	0	0	0	0	110.9	T211 D214 I215 K257 L264 I265 F300	T211-V261 HydrophobicContact CG2-CB 4.3Å; T211-V261 HydrophobicContact CG2-CG1 3.76Å; T211-V261 HydrophobicContact CG2-CG2 3.96Å; D214-V261 HydrophobicContact CB-CG2 3.88Å; I215-V261 HydrophobicContact CD1-CG1 3.92Å; I215-V261 HydrophobicContact CG1-CG1 3.98Å; I215-V261 HydrophobicContact CG1-CG2 4.09Å; K257-V261 VanDerWaalsContact O-CG2 3.28Å; K257-V261 WeakPolarHBondContact O-CG2 3.41Å; K257-V261 PolarHBondContact O-N 2.67Å; V261-L264 PolarHBondContact O-N 3.02Å; V261-I265 HydrophobicContact CG1-CD1 3.98Å; V261-I265 WeakPolarHBondContact O-CG1 3.18Å; V261-I265 PolarHBondContact O-N 2.73Å; V261-F300 HydrophobicContact CB-CD2 4.46Å; V261-F300 HydrophobicContact CB-CE2 4.2Å; V261-F300 HydrophobicContact CG1-CD2 3.75Å; V261-F300 HydrophobicContact CG1-CE2 3.68Å
262	R	96.8	Very high	92.7	Very high	36 Å²	36	65.2 Å²	65.2	14%	0.136	32%	0.322	C	S	.	.	H	α-helix	trans	-62.1	-45.8	-178.9	-172.3	176.2	179.8	-171.3	0.7	111.9	Y258 K259 T260 I265 D266 N293 S296	Y258-R262 WeakPolarHBondContact O-CB 3.23Å; Y258-R262 PolarHBondContact O-N 2.95Å; K259-R262 PolarHBondContact O-N 3.34Å; T260-R262 PolarHBondContact O-N 3.39Å; R262-I265 PolarHBondContact O-N 3.12Å; R262-D266 WeakPolarHBondContact O-CB 3.31Å; R262-D266 VanDerWaalsContact O-CG 3.27Å; R262-D266 PolarHBondContact O-N 3.26Å; R262-N293 PolarHBondContact NH1-OD1 3.4Å; R262-N293 PolarHBondContact NH2-O 3.27Å; R262-N293 PolarHBondContact NH2-OD1 3.31Å; R262-S296 WeakPolarHBondContact CG-OG 3.14Å; R262-S296 PolarHBondContact NE-OG 3.36Å; R262-S296 PolarHBondContact NH2-OG 2.89Å; R262-S296 VanDerWaalsContact NH2-OG 3.1Å
263	Q	96.7	Very high	91.7	Very high	115 Å²	115	64.8 Å²	64.8	54%	0.537	32%	0.32	S	S	.	.	H	α-helix	trans	-63.5	-41.3	176.4	-75.7	175.1	-14.7	0	0	112.2	K259 T260 I265 D266 N267	K259-Q263 VanDerWaalsContact O-CB 3.31Å; K259-Q263 WeakPolarHBondContact O-CB 3.42Å; K259-Q263 VanDerWaalsContact O-CG 3.24Å; K259-Q263 WeakPolarHBondContact O-CG 3.48Å; K259-Q263 PolarHBondContact O-N 3.45Å; T260-Q263 PolarHBondContact O-N 3.2Å; Q263-I265 VanDerWaalsContact C-N 3.34Å; Q263-I265 PolarHBondContact O-N 3.09Å; Q263-D266 PolarHBondContact O-N 2.87Å; Q263-N267 VanDerWaalsContact O-CB 3.25Å; Q263-N267 WeakPolarHBondContact O-CB 3.46Å; Q263-N267 PolarHBondContact O-N 3.37Å; Q263-N267 PolarHBondContact O-ND2 2.94Å
264	L	97.4	Very high	91.1	Very high	33 Å²	33	63.1 Å²	63.1	17%	0.173	31%	0.314	C	S	.	.	H	α-helix	trans	-59.3	-47.3	176.6	-177	74.2	0	0	0	111	L203 T211 T260 V261 N268	L203-L264 HydrophobicContact CD1-CD2 4.05Å; L203-L264 HydrophobicContact CD1-CG 4.38Å; L203-L264 HydrophobicContact CD2-CD1 3.95Å; L203-L264 HydrophobicContact CD2-CD2 4.38Å; L203-L264 HydrophobicContact CD2-CG 4.21Å; T211-L264 HydrophobicContact CG2-CD2 4.2Å; T211-L264 WeakPolarHBondContact OG1-CD2 3.35Å; T260-L264 WeakPolarHBondContact O-CB 3.47Å; T260-L264 PolarHBondContact O-N 2.91Å; V261-L264 PolarHBondContact O-N 3.02Å; L264-N268 WeakPolarHBondContact O-CB 3.42Å; L264-N268 PolarHBondContact O-N 3.07Å; L264-N268 PolarHBondContact O-ND2 3.42Å
265	I	96.6	Very high	90.5	Very high	1 Å²	1	66 Å²	66	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-62	-54.5	177.7	-66.2	168.5	0	0	0	109.8	W189 F197 V261 R262 Q263 N267 N268 V269 M303	W189-I265 HydrophobicContact CH2-CD1 4.21Å; W189-I265 HydrophobicContact CH2-CG1 4.25Å; W189-I265 HydrophobicContact CZ2-CG1 4.39Å; F197-I265 HydrophobicContact CE2-CG2 4.43Å; F197-I265 HydrophobicContact CZ-CG2 3.83Å; V261-I265 HydrophobicContact CG1-CD1 3.98Å; V261-I265 WeakPolarHBondContact O-CG1 3.18Å; V261-I265 PolarHBondContact O-N 2.73Å; R262-I265 PolarHBondContact O-N 3.12Å; Q263-I265 VanDerWaalsContact C-N 3.34Å; Q263-I265 PolarHBondContact O-N 3.09Å; I265-N267 VanDerWaalsContact C-N 3.33Å; I265-N267 PolarHBondContact O-N 3.47Å; I265-N268 PolarHBondContact O-N 2.99Å; I265-N268 VanDerWaalsContact O-N 3.11Å; I265-V269 HydrophobicContact CG2-CG2 3.99Å; I265-V269 WeakPolarHBondContact O-CG2 3.32Å; I265-V269 PolarHBondContact O-N 2.87Å; I265-M303 HydrophobicContact CD1-CB 4.01Å; I265-M303 HydrophobicContact CD1-CG 4.19Å
266	D	95	Very high	89.9	Confident	58 Å²	58	69.4 Å²	69.4	31%	0.31	35%	0.352	S	S	.	.	H	α-helix	trans	-57.6	-44.7	-176.1	-71.1	-20.1	0	0	0	112	R262 Q263 N268 V269 G270 S296	R262-D266 WeakPolarHBondContact O-CB 3.31Å; R262-D266 VanDerWaalsContact O-CG 3.27Å; R262-D266 PolarHBondContact O-N 3.26Å; Q263-D266 PolarHBondContact O-N 2.87Å; D266-N268 VanDerWaalsContact C-N 3.31Å; D266-N268 PolarHBondContact O-N 3.06Å; D266-V269 PolarHBondContact O-N 3.01Å; D266-G270 PolarHBondContact O-N 3.47Å; D266-S296 VanDerWaalsContact CG-OG 3.24Å; D266-S296 WeakPolarHBondContact OD1-CB 3.19Å; D266-S296 PolarHBondContact OD1-OG 3.27Å; D266-S296 WeakPolarHBondContact OD2-CB 3.2Å; D266-S296 PolarHBondContact OD2-OG 2.9Å
267	N	94.8	Very high	89.5	Confident	131 Å²	131	62 Å²	62	70%	0.701	32%	0.323	S	S	*	.	H	α-helix	trans	-64.8	-33.9	179.3	-70.5	-14.1	0	0	0	113	Q263 I265	Q263-N267 VanDerWaalsContact O-CB 3.25Å; Q263-N267 WeakPolarHBondContact O-CB 3.46Å; Q263-N267 PolarHBondContact O-N 3.37Å; Q263-N267 PolarHBondContact O-ND2 2.94Å; I265-N267 VanDerWaalsContact C-N 3.33Å; I265-N267 PolarHBondContact O-N 3.47Å
268	N	94	Very high	89.3	Confident	52 Å²	52	61.1 Å²	61.1	28%	0.278	32%	0.319	S	S	.	.	H	α-helix	trans	-87.9	-17.6	-179.4	-77.3	-90	0	0	0	112.5	W193 K199 L203 L264 I265 D266	W193-N268 HydrophobicContact CH2-CB 3.39Å; W193-N268 HydrophobicContact CZ2-CB 3.94Å; W193-N268 HydrophobicContact CZ3-CB 4.37Å; K199-N268 WeakPolarHBondContact CE-O 3.28Å; K199-N268 PolarHBondContact NZ-O 3.43Å; L203-N268 HydrophobicContact CD2-CB 4.48Å; L264-N268 WeakPolarHBondContact O-CB 3.42Å; L264-N268 PolarHBondContact O-N 3.07Å; L264-N268 PolarHBondContact O-ND2 3.42Å; I265-N268 PolarHBondContact O-N 2.99Å; I265-N268 VanDerWaalsContact O-N 3.11Å; D266-N268 VanDerWaalsContact C-N 3.31Å; D266-N268 PolarHBondContact O-N 3.06Å
269	V	90.1	Very high	89.1	Confident	7 Å²	7	60.8 Å²	60.8	4%	0.042	32%	0.318	C	S	.	.	H	α-helix	trans	-81.4	-39.8	173.1	176.1	0	0	0	0	111.4	W193 F197 K199 I265 D266	W193-V269 HydrophobicContact CH2-CG2 3.83Å; W193-V269 HydrophobicContact CZ2-CG2 4.16Å; W193-V269 HydrophobicContact CZ3-CG2 4.49Å; F197-V269 HydrophobicContact CD1-CB 4.33Å; F197-V269 HydrophobicContact CD1-CG1 3.7Å; F197-V269 HydrophobicContact CD1-CG2 3.55Å; F197-V269 HydrophobicContact CD2-CG2 3.85Å; F197-V269 HydrophobicContact CE1-CB 4.33Å; F197-V269 HydrophobicContact CE1-CG1 3.98Å; F197-V269 HydrophobicContact CE1-CG2 3.33Å; F197-V269 HydrophobicContact CE2-CG2 3.65Å; F197-V269 HydrophobicContact CG-CG1 4.34Å; F197-V269 HydrophobicContact CG-CG2 3.81Å; F197-V269 HydrophobicContact CZ-CG2 3.4Å; F197-V269 VanDerWaalsContact CZ-CG2 3.4Å; K199-V269 PolarHBondContact NZ-O 3.17Å; I265-V269 HydrophobicContact CG2-CG2 3.99Å; I265-V269 WeakPolarHBondContact O-CG2 3.32Å; I265-V269 PolarHBondContact O-N 2.87Å; D266-V269 PolarHBondContact O-N 3.01Å
270	G	80.7	Confident	88.9	Confident	41 Å²	41	55 Å²	55	42%	0.423	29%	0.294	S	S	.	.			trans	70.5	-175.5	-177.2	0	0	0	0	0	113.4	D266	D266-G270 PolarHBondContact O-N 3.47Å
271	E	76.2	Confident	88.7	Confident	173 Å²	173	55.4 Å²	55.4	81%	0.808	29%	0.292	S	S	*	.	S	Bend	trans	-83.9	-22.7	-175.7	-61	-165.4	147.8	0	0	114
272	M	63.3	Low	88.6	Confident	179 Å²	179	55.4 Å²	55.4	88%	0.882	29%	0.292	S	S	*	.			trans	-92.7	108	-174.4	-165	171.3	157.9	0	0	110.3
273	H	73.4	Confident	88.5	Confident	55 Å²	55	55.8 Å²	55.8	26%	0.255	30%	0.296	S	S	.	.			trans	-91.5	131.6	176.7	-59.7	-71.8	0	0	0	110.3	S275 I283	H273-S275 PolarHBondContact O-N 3.47Å; H273-I283 HydrophobicContact CB-CD1 4.12Å; H273-I283 WeakPolarHBondContact CD2-CD1 3.12Å; H273-I283 VanDerWaalsContact CG-CD1 3.48Å
274	N	81.1	Confident	88.3	Confident	64 Å²	64	55 Å²	55	34%	0.342	30%	0.295	S	S	.	.			trans	-63.1	118.7	168.5	-179.9	-17.4	0	0	0	108.2	G198 D276 S277 G280	G198-N274 PolarHBondContact O-ND2 3.09Å; G198-N274 VanDerWaalsContact O-ND2 3.11Å; N274-D276 PolarHBondContact O-N 3.26Å; N274-D276 VanDerWaalsContact O-N 3.08Å; N274-D276 PolarHBondContact OD1-N 2.63Å; N274-S277 WeakPolarHBondContact O-CB 3.46Å; N274-S277 PolarHBondContact O-N 3.38Å; N274-S277 PolarHBondContact O-OG 3.35Å; N274-G280 WeakPolarHBondContact O-CA 3.37Å
275	S	83.6	Confident	88.2	Confident	60 Å²	60	55.5 Å²	55.5	42%	0.42	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-27.4	-177.4	52.7	0	0	0	0	113.4	H273 Q281	H273-S275 PolarHBondContact O-N 3.47Å; S275-Q281 WeakPolarHBondContact O-CG 3.22Å; S275-Q281 PolarHBondContact O-N 2.89Å
276	D	83	Confident	88	Confident	95 Å²	95	63.2 Å²	63.2	51%	0.508	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-19.9	-174.7	-54.6	-19.4	0	0	0	111.1	F153 N274 Q281	F153-D276 HydrophobicContact CD2-CB 4.16Å; F153-D276 VanDerWaalsContact CD2-O 3.28Å; F153-D276 WeakPolarHBondContact CD2-O 2.91Å; F153-D276 VanDerWaalsContact CE1-O 3.28Å; F153-D276 WeakPolarHBondContact CE1-O 3.41Å; F153-D276 HydrophobicContact CE2-CB 3.44Å; F153-D276 VanDerWaalsContact CE2-CB 3.44Å; F153-D276 WeakPolarHBondContact CE2-O 3.28Å; F153-D276 HydrophobicContact CZ-CB 4.2Å; F153-D276 WeakPolarHBondContact CZ-O 3.38Å; N274-D276 PolarHBondContact O-N 3.26Å; N274-D276 VanDerWaalsContact O-N 3.08Å; N274-D276 PolarHBondContact OD1-N 2.63Å; D276-Q281 PolarHBondContact O-NE2 3.36Å
277	S	90.3	Very high	88	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.362	C	S	.	.	S	Bend	trans	-58.6	156.3	177.3	70.7	0	0	0	0	113.6	I196 G198 N274 L279 G280 Q281	I196-S277 WeakPolarHBondContact O-CB 3.33Å; I196-S277 PolarHBondContact O-OG 3.25Å; G198-S277 VanDerWaalsContact N-CB 3.33Å; N274-S277 WeakPolarHBondContact O-CB 3.46Å; N274-S277 PolarHBondContact O-N 3.38Å; N274-S277 PolarHBondContact O-OG 3.35Å; S277-L279 VanDerWaalsContact C-N 3.25Å; S277-L279 PolarHBondContact O-N 3.46Å; S277-G280 PolarHBondContact O-N 2.85Å; S277-G280 VanDerWaalsContact O-N 3.12Å; S277-G280 WeakPolarHBondContact OG-CA 3.29Å; S277-G280 PolarHBondContact OG-N 2.94Å; S277-Q281 WeakPolarHBondContact O-CG 3.45Å; S277-Q281 PolarHBondContact O-N 3.43Å
278	L	91.9	Very high	88.1	Confident	3 Å²	3	63.6 Å²	63.6	2%	0.016	33%	0.332	C	S	.	.	H	α-helix	trans	-57.4	-41.1	177.6	-72.2	-170.9	0	0	0	111.8	F131 L134 F153 L195 I196 L282 I418	F131-L278 HydrophobicContact CE2-CD1 4.27Å; L134-L278 HydrophobicContact CB-CD2 4.21Å; F153-L278 HydrophobicContact CD1-CD2 4.44Å; L195-L278 HydrophobicContact CD1-CD1 3.79Å; L195-L278 HydrophobicContact CD1-CG 3.96Å; L195-L278 HydrophobicContact CD2-CD1 3.97Å; L195-L278 HydrophobicContact CG-CD1 3.59Å; L195-L278 HydrophobicContact CG-CG 4.13Å; L195-L278 PolarHBondContact O-N 3.04Å; I196-L278 HydrophobicContact CD1-CB 4.3Å; I196-L278 HydrophobicContact CD1-CD1 4.14Å; L278-L282 WeakPolarHBondContact O-CG 3.48Å; L278-L282 PolarHBondContact O-N 2.88Å; L278-I418 HydrophobicContact CD1-CD1 4.37Å
279	L	93.8	Very high	88.1	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-72	-40.4	176	-172.4	65.4	0	0	0	111.7	I196 F197 S277 Q281 L282 I283 I295 L298 S299 F302	I196-L279 HydrophobicContact CG2-CB 4Å; I196-L279 HydrophobicContact CG2-CD2 4.45Å; I196-L279 WeakPolarHBondContact O-CB 3.42Å; I196-L279 PolarHBondContact O-N 3.25Å; F197-L279 HydrophobicContact CD1-CD2 3.81Å; F197-L279 HydrophobicContact CE1-CD2 3.63Å; S277-L279 VanDerWaalsContact C-N 3.25Å; S277-L279 PolarHBondContact O-N 3.46Å; L279-Q281 VanDerWaalsContact C-N 3.33Å; L279-Q281 PolarHBondContact O-N 3.41Å; L279-L282 WeakPolarHBondContact O-CB 3.4Å; L279-L282 PolarHBondContact O-N 3.49Å; L279-L282 VanDerWaalsContact O-N 3.14Å; L279-I283 HydrophobicContact CD2-CD1 4.44Å; L279-I283 HydrophobicContact CG-CD1 3.93Å; L279-I283 HydrophobicContact CG-CG1 4.42Å; L279-I283 VanDerWaalsContact O-CG1 3.29Å; L279-I283 WeakPolarHBondContact O-CG1 3.24Å; L279-I283 PolarHBondContact O-N 2.98Å; L279-I295 HydrophobicContact CD2-CG2 4.1Å; L279-L298 HydrophobicContact CD1-CB 4.19Å; L279-S299 VanDerWaalsContact CD2-OG 3.29Å; L279-S299 WeakPolarHBondContact CD2-OG 3.42Å; L279-F302 HydrophobicContact CD1-CE2 4.31Å
280	G	93.5	Very high	88.4	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.01	36%	0.357	C	S	.	.	H	α-helix	trans	-58.6	-42.8	176.5	0	0	0	0	0	112.8	N274 S277 L282 I283 N284	N274-G280 WeakPolarHBondContact O-CA 3.37Å; S277-G280 PolarHBondContact O-N 2.85Å; S277-G280 VanDerWaalsContact O-N 3.12Å; S277-G280 WeakPolarHBondContact OG-CA 3.29Å; S277-G280 PolarHBondContact OG-N 2.94Å; G280-L282 VanDerWaalsContact C-N 3.33Å; G280-L282 PolarHBondContact O-N 3.08Å; G280-I283 PolarHBondContact O-N 2.95Å; G280-N284 WeakPolarHBondContact O-CB 3.38Å; G280-N284 PolarHBondContact O-N 3.44Å; G280-N284 PolarHBondContact O-ND2 3.41Å
281	Q	93	Very high	89.1	Confident	58 Å²	58	69.8 Å²	69.8	27%	0.271	36%	0.357	S	S	.	.	H	α-helix	trans	-64.7	-35.1	175.2	-70.8	-174.6	59.2	0	0	112.5	L134 S275 D276 S277 L279 D285	L134-Q281 HydrophobicContact CD1-CB 3.83Å; L134-Q281 HydrophobicContact CD2-CB 4.01Å; S275-Q281 WeakPolarHBondContact O-CG 3.22Å; S275-Q281 PolarHBondContact O-N 2.89Å; D276-Q281 PolarHBondContact O-NE2 3.36Å; S277-Q281 WeakPolarHBondContact O-CG 3.45Å; S277-Q281 PolarHBondContact O-N 3.43Å; L279-Q281 VanDerWaalsContact C-N 3.33Å; L279-Q281 PolarHBondContact O-N 3.41Å; Q281-D285 PolarHBondContact O-N 2.86Å
282	L	95.2	Very high	90	Very high	2 Å²	2	69.6 Å²	69.6	1%	0.01	35%	0.354	C	S	.	.	H	α-helix	trans	-68.9	-40.9	172.7	-71	173.4	0	0	0	112.2	A130 F131 L134 L278 L279 G280 N284 D285 L288 L290 L298 F302	A130-L282 HydrophobicContact CB-CD2 3.7Å; F131-L282 HydrophobicContact CB-CD1 4.32Å; F131-L282 HydrophobicContact CB-CD2 4.37Å; F131-L282 HydrophobicContact CD2-CD1 4.18Å; L134-L282 HydrophobicContact CD1-CD2 3.58Å; L134-L282 HydrophobicContact CD1-CG 3.63Å; L278-L282 WeakPolarHBondContact O-CG 3.48Å; L278-L282 PolarHBondContact O-N 2.88Å; L279-L282 WeakPolarHBondContact O-CB 3.4Å; L279-L282 PolarHBondContact O-N 3.49Å; L279-L282 VanDerWaalsContact O-N 3.14Å; G280-L282 VanDerWaalsContact C-N 3.33Å; G280-L282 PolarHBondContact O-N 3.08Å; L282-N284 VanDerWaalsContact C-N 3.3Å; L282-N284 PolarHBondContact O-N 3Å; L282-D285 PolarHBondContact O-N 3.27Å; L282-L288 HydrophobicContact CB-CD1 4.39Å; L282-L288 HydrophobicContact CD2-CD1 3.8Å; L282-L290 HydrophobicContact CB-CD1 4.13Å; L282-L298 HydrophobicContact CD1-CD1 4.47Å; L282-F302 HydrophobicContact CD1-CE2 3.81Å; L282-F302 HydrophobicContact CD1-CZ 3.83Å
283	I	94.9	Very high	91.6	Very high	44 Å²	44	62.7 Å²	62.7	23%	0.226	32%	0.321	C	S	.	.	H	α-helix	trans	-63	-40.6	177.2	-69.7	168.7	0	0	0	110.7	H273 L279 G280 D285 L290 I295	H273-I283 HydrophobicContact CB-CD1 4.12Å; H273-I283 WeakPolarHBondContact CD2-CD1 3.12Å; H273-I283 VanDerWaalsContact CG-CD1 3.48Å; L279-I283 HydrophobicContact CD2-CD1 4.44Å; L279-I283 HydrophobicContact CG-CD1 3.93Å; L279-I283 HydrophobicContact CG-CG1 4.42Å; L279-I283 VanDerWaalsContact O-CG1 3.29Å; L279-I283 WeakPolarHBondContact O-CG1 3.24Å; L279-I283 PolarHBondContact O-N 2.98Å; G280-I283 PolarHBondContact O-N 2.95Å; I283-D285 VanDerWaalsContact C-N 3.29Å; I283-D285 PolarHBondContact O-N 3.4Å; I283-L290 HydrophobicContact CG1-CD1 4.46Å; I283-I295 HydrophobicContact CD1-CD1 3.86Å; I283-I295 HydrophobicContact CD1-CG1 4.07Å; I283-I295 HydrophobicContact CD1-CG2 3.89Å; I283-I295 HydrophobicContact CG1-CD1 3.8Å; I283-I295 HydrophobicContact CG1-CG1 3.84Å; I283-I295 HydrophobicContact CG2-CD1 4.45Å
284	N	93.4	Very high	92.7	Very high	98 Å²	98	60.2 Å²	60.2	52%	0.524	31%	0.309	S	S	.	.	H	α-helix	trans	-78	-10.1	-179.3	-67.6	-22.8	0	0	0	113.6	G280 L282 L286	G280-N284 WeakPolarHBondContact O-CB 3.38Å; G280-N284 PolarHBondContact O-N 3.44Å; G280-N284 PolarHBondContact O-ND2 3.41Å; L282-N284 VanDerWaalsContact C-N 3.3Å; L282-N284 PolarHBondContact O-N 3Å; N284-L286 PolarHBondContact O-N 3.06Å
285	D	94.3	Very high	93.4	Very high	44 Å²	44	58.4 Å²	58.4	24%	0.235	30%	0.299	C	S	.	.			trans	-75.6	93.4	171.9	-170.8	-12.3	0	0	0	110.1	Q281 L282 I283 K287 L288	Q281-D285 PolarHBondContact O-N 2.86Å; L282-D285 PolarHBondContact O-N 3.27Å; I283-D285 VanDerWaalsContact C-N 3.29Å; I283-D285 PolarHBondContact O-N 3.4Å; D285-K287 PolarHBondContact O-N 2.89Å; D285-K287 WeakPolarHBondContact OD1-CB 3.44Å; D285-K287 PolarHBondContact OD1-N 2.62Å; D285-K287 VanDerWaalsContact OD1-N 3.12Å; D285-L288 HydrophobicContact CB-CD1 4.02Å; D285-L288 HydrophobicContact CB-CG 4.06Å; D285-L288 WeakPolarHBondContact O-CB 3.22Å; D285-L288 PolarHBondContact O-N 3.03Å
286	L	92.6	Very high	94	Very high	162 Å²	162	56 Å²	56	85%	0.848	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-23.6	-179.7	-63.6	176.7	0	0	0	113.7	N284 L288	N284-L286 PolarHBondContact O-N 3.06Å; L286-L288 VanDerWaalsContact C-N 3.26Å; L286-L288 PolarHBondContact O-N 3.02Å
287	K	94.8	Very high	94.7	Very high	184 Å²	184	52 Å²	52	80%	0.8	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-24.3	177.6	-62.1	178.5	178.8	175.5	0	112.5	D285	D285-K287 PolarHBondContact O-N 2.89Å; D285-K287 WeakPolarHBondContact OD1-CB 3.44Å; D285-K287 PolarHBondContact OD1-N 2.62Å; D285-K287 VanDerWaalsContact OD1-N 3.12Å
288	L	96.3	Very high	95	Very high	13 Å²	13	52 Å²	52	7%	0.068	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-25.5	-177.9	-62.7	-177.3	0	0	0	113.1	E126 M127 A130 L282 D285 L286 L290	E126-L288 HydrophobicContact CB-CD2 4.14Å; M127-L288 HydrophobicContact CG-CD2 4.24Å; A130-L288 HydrophobicContact CB-CD1 3.79Å; A130-L288 HydrophobicContact CB-CD2 4.13Å; A130-L288 HydrophobicContact CB-CG 4.42Å; L282-L288 HydrophobicContact CB-CD1 4.39Å; L282-L288 HydrophobicContact CD2-CD1 3.8Å; D285-L288 HydrophobicContact CB-CD1 4.02Å; D285-L288 HydrophobicContact CB-CG 4.06Å; D285-L288 WeakPolarHBondContact O-CB 3.22Å; D285-L288 PolarHBondContact O-N 3.03Å; L286-L288 VanDerWaalsContact C-N 3.26Å; L286-L288 PolarHBondContact O-N 3.02Å; L288-L290 VanDerWaalsContact C-N 3.32Å; L288-L290 HydrophobicContact CB-CD2 3.79Å; L288-L290 HydrophobicContact CB-CG 3.83Å; L288-L290 HydrophobicContact CD1-CD1 4.43Å; L288-L290 PolarHBondContact O-N 3.13Å
289	N	94.6	Very high	95.3	Very high	135 Å²	135	52 Å²	52	72%	0.722	26%	0.26	S	S	*	.			trans	43.3	56.3	-178.5	-169	21.4	0	0	0	112.4	T291	N289-T291 PolarHBondContact O-N 2.92Å
290	L	96.2	Very high	95.5	Very high	26 Å²	26	53.1 Å²	53.1	14%	0.136	27%	0.265	C	S	.	.			trans	-71.5	127.1	-173.4	-61.3	-175.4	0	0	0	111.1	M127 L282 I283 L288 D294 I295 L298	M127-L290 HydrophobicContact CG-CD2 3.87Å; M127-L290 HydrophobicContact SD-CD2 3.5Å; M127-L290 WeakPolarHBondContact SD-CD2 3.39Å; L282-L290 HydrophobicContact CB-CD1 4.13Å; I283-L290 HydrophobicContact CG1-CD1 4.46Å; L288-L290 VanDerWaalsContact C-N 3.32Å; L288-L290 HydrophobicContact CB-CD2 3.79Å; L288-L290 HydrophobicContact CB-CG 3.83Å; L288-L290 HydrophobicContact CD1-CD1 4.43Å; L288-L290 PolarHBondContact O-N 3.13Å; L290-D294 HydrophobicContact CB-CB 4.2Å; L290-D294 HydrophobicContact CD2-CB 3.96Å; L290-I295 HydrophobicContact CB-CG1 4.12Å; L290-L298 HydrophobicContact CD1-CD1 4.09Å
291	T	95.8	Very high	95.7	Very high	69 Å²	69	53.7 Å²	53.7	42%	0.423	27%	0.268	S	S	.	.			trans	-80	165.5	170.8	69.1	0	0	0	0	110.7	N289 N293 D294 I295	N289-T291 PolarHBondContact O-N 2.92Å; T291-N293 PolarHBondContact O-N 3.42Å; T291-N293 PolarHBondContact OG1-N 3.49Å; T291-D294 WeakPolarHBondContact CA-OD2 3.08Å; T291-D294 VanDerWaalsContact CB-OD2 3.29Å; T291-D294 WeakPolarHBondContact CB-OD2 3.45Å; T291-D294 WeakPolarHBondContact CG2-OD2 3.31Å; T291-D294 PolarHBondContact N-OD2 3Å; T291-D294 WeakPolarHBondContact O-CB 3.44Å; T291-D294 PolarHBondContact O-N 2.99Å; T291-D294 VanDerWaalsContact OG1-CG 3.22Å; T291-D294 PolarHBondContact OG1-N 3.16Å; T291-D294 PolarHBondContact OG1-OD2 3.47Å; T291-I295 WeakPolarHBondContact O-CG1 3.42Å; T291-I295 PolarHBondContact O-N 2.6Å
292	K	94.8	Very high	95.9	Very high	170 Å²	170	51.7 Å²	51.7	74%	0.739	26%	0.258	S	S	*	.	H	α-helix	trans	-53.8	-37.3	171.1	-66.5	-169.4	177.3	-167.1	0	112.5	S296	K292-S296 WeakPolarHBondContact O-CB 3.07Å; K292-S296 PolarHBondContact O-N 3.31Å; K292-S296 VanDerWaalsContact O-N 3.08Å
293	N	96.5	Very high	96	Very high	34 Å²	34	51.6 Å²	51.6	18%	0.182	26%	0.257	C	S	.	.	H	α-helix	trans	-65.1	-40.2	175.9	-176.7	54.2	0	0	0	111.5	A111 E112 R262 T291 R297	A111-N293 PolarHBondContact O-ND2 2.91Å; E112-N293 PolarHBondContact O-ND2 3.26Å; R262-N293 PolarHBondContact NH1-OD1 3.4Å; R262-N293 PolarHBondContact NH2-O 3.27Å; R262-N293 PolarHBondContact NH2-OD1 3.31Å; T291-N293 PolarHBondContact O-N 3.42Å; T291-N293 PolarHBondContact OG1-N 3.49Å; N293-R297 WeakPolarHBondContact O-CB 3.39Å; N293-R297 PolarHBondContact O-N 3.3Å
294	D	97	Very high	96	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.011	25%	0.249	C	C	.	.	H	α-helix	trans	-64.8	-45.6	178	-55	-62.6	0	0	0	112.3	S114 K123 M127 L290 T291 R297 L298	S114-D294 VanDerWaalsContact CB-OD1 3.26Å; S114-D294 WeakPolarHBondContact CB-OD1 3.39Å; S114-D294 WeakPolarHBondContact OG-CA 2.94Å; S114-D294 PolarHBondContact OG-OD1 3.2Å; K123-D294 WeakPolarHBondContact CE-OD1 3.37Å; K123-D294 IonicContact NZ-OD1 3.76Å; K123-D294 PolarHBondContact NZ-OD1 2.87Å; K123-D294 IonicContact NZ-OD2 3.79Å; K123-D294 PolarHBondContact NZ-OD2 3.25Å; M127-D294 HydrophobicContact SD-CB 4.46Å; L290-D294 HydrophobicContact CB-CB 4.2Å; L290-D294 HydrophobicContact CD2-CB 3.96Å; T291-D294 WeakPolarHBondContact CA-OD2 3.08Å; T291-D294 VanDerWaalsContact CB-OD2 3.29Å; T291-D294 WeakPolarHBondContact CB-OD2 3.45Å; T291-D294 WeakPolarHBondContact CG2-OD2 3.31Å; T291-D294 PolarHBondContact N-OD2 3Å; T291-D294 WeakPolarHBondContact O-CB 3.44Å; T291-D294 PolarHBondContact O-N 2.99Å; T291-D294 VanDerWaalsContact OG1-CG 3.22Å; T291-D294 PolarHBondContact OG1-N 3.16Å; T291-D294 PolarHBondContact OG1-OD2 3.47Å; D294-R297 PolarHBondContact O-N 3.25Å; D294-L298 WeakPolarHBondContact O-CB 3.46Å; D294-L298 VanDerWaalsContact O-CG 3.24Å; D294-L298 WeakPolarHBondContact O-CG 3.49Å; D294-L298 PolarHBondContact O-N 3.3Å
295	I	96.2	Very high	96.1	Very high	27 Å²	27	48 Å²	48	14%	0.138	25%	0.248	C	C	.	.	H	α-helix	trans	-58.5	-54.2	178.7	-64.2	171	0	0	0	109.8	L279 I283 L290 T291 R297 L298 S299	L279-I295 HydrophobicContact CD2-CG2 4.1Å; I283-I295 HydrophobicContact CD1-CD1 3.86Å; I283-I295 HydrophobicContact CD1-CG1 4.07Å; I283-I295 HydrophobicContact CD1-CG2 3.89Å; I283-I295 HydrophobicContact CG1-CD1 3.8Å; I283-I295 HydrophobicContact CG1-CG1 3.84Å; I283-I295 HydrophobicContact CG2-CD1 4.45Å; L290-I295 HydrophobicContact CB-CG1 4.12Å; T291-I295 WeakPolarHBondContact O-CG1 3.42Å; T291-I295 PolarHBondContact O-N 2.6Å; I295-R297 VanDerWaalsContact C-N 3.32Å; I295-R297 PolarHBondContact O-N 2.91Å; I295-L298 PolarHBondContact O-N 3.36Å; I295-S299 PolarHBondContact O-N 3.33Å; I295-S299 PolarHBondContact O-OG 3.08Å
296	S	96.4	Very high	96.2	Very high	8 Å²	8	46.9 Å²	46.9	6%	0.056	25%	0.247	C	C	.	.	H	α-helix	trans	-62.3	-37.3	-179.8	169.2	0	0	0	0	112.3	R262 D266 K292 F300	R262-S296 WeakPolarHBondContact CG-OG 3.14Å; R262-S296 PolarHBondContact NE-OG 3.36Å; R262-S296 PolarHBondContact NH2-OG 2.89Å; R262-S296 VanDerWaalsContact NH2-OG 3.1Å; D266-S296 VanDerWaalsContact CG-OG 3.24Å; D266-S296 WeakPolarHBondContact OD1-CB 3.19Å; D266-S296 PolarHBondContact OD1-OG 3.27Å; D266-S296 WeakPolarHBondContact OD2-CB 3.2Å; D266-S296 PolarHBondContact OD2-OG 2.9Å; K292-S296 WeakPolarHBondContact O-CB 3.07Å; K292-S296 PolarHBondContact O-N 3.31Å; K292-S296 VanDerWaalsContact O-N 3.08Å; S296-F300 PolarHBondContact O-N 3.12Å; S296-F300 VanDerWaalsContact O-N 3.08Å
297	R	97.2	Very high	96.5	Very high	11 Å²	11	39.1 Å²	39.1	4%	0.042	21%	0.206	C	C	.	.	H	α-helix	trans	-67.5	-42.7	175.5	178.7	58.5	-172.5	-180	8.9	112.4	A111 Y258 N293 D294 I295 F300 E301	A111-R297 HydrophobicContact CB-CG 4.48Å; Y258-R297 PolarHBondContact OH-NH1 3.43Å; Y258-R297 VanDerWaalsContact OH-NH1 3.08Å; N293-R297 WeakPolarHBondContact O-CB 3.39Å; N293-R297 PolarHBondContact O-N 3.3Å; D294-R297 PolarHBondContact O-N 3.25Å; I295-R297 VanDerWaalsContact C-N 3.32Å; I295-R297 PolarHBondContact O-N 2.91Å; R297-F300 PolarHBondContact O-N 2.97Å; R297-E301 IonicContact CZ-OE1 2.66Å; R297-E301 IonicContact NE-OE1 2.64Å; R297-E301 PolarHBondContact NE-OE1 2.9Å; R297-E301 VanDerWaalsContact NE-OE1 3.08Å; R297-E301 IonicContact NH2-OE1 2.78Å; R297-E301 PolarHBondContact NH2-OE1 3.27Å; R297-E301 WeakPolarHBondContact O-CG 3.44Å; R297-E301 PolarHBondContact O-N 3.31Å
298	L	97.6	Very high	96.4	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-64.9	-43	176.5	-72	173.3	0	0	0	111.1	I116 M127 L279 L282 L290 D294 I295 F300 E301 F302	I116-L298 HydrophobicContact CG1-CD2 4.45Å; I116-L298 HydrophobicContact CG2-CD2 3.91Å; M127-L298 HydrophobicContact SD-CD1 4.18Å; L279-L298 HydrophobicContact CD1-CB 4.19Å; L282-L298 HydrophobicContact CD1-CD1 4.47Å; L290-L298 HydrophobicContact CD1-CD1 4.09Å; D294-L298 WeakPolarHBondContact O-CB 3.46Å; D294-L298 VanDerWaalsContact O-CG 3.24Å; D294-L298 WeakPolarHBondContact O-CG 3.49Å; D294-L298 PolarHBondContact O-N 3.3Å; I295-L298 PolarHBondContact O-N 3.36Å; L298-F300 VanDerWaalsContact C-N 3.33Å; L298-F300 PolarHBondContact O-N 3.05Å; L298-E301 PolarHBondContact O-N 3.45Å; L298-F302 HydrophobicContact CB-CD2 4.29Å; L298-F302 HydrophobicContact CB-CE2 3.83Å; L298-F302 HydrophobicContact CB-CZ 4.2Å; L298-F302 HydrophobicContact CD2-CE1 4.37Å; L298-F302 HydrophobicContact CD2-CE2 4.4Å; L298-F302 HydrophobicContact CD2-CZ 3.89Å; L298-F302 HydrophobicContact CG-CZ 4.5Å; L298-F302 WeakPolarHBondContact O-CB 3.28Å; L298-F302 WeakPolarHBondContact O-CD2 3.31Å; L298-F302 WeakPolarHBondContact O-CG 3.35Å; L298-F302 PolarHBondContact O-N 3.36Å
299	S	97.1	Very high	96.4	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.007	18%	0.181	C	C	.	.	H	α-helix	trans	-52.7	-50.7	172.7	-60.9	0	0	0	0	111.4	L279 I295 M303	L279-S299 VanDerWaalsContact CD2-OG 3.29Å; L279-S299 WeakPolarHBondContact CD2-OG 3.42Å; I295-S299 PolarHBondContact O-N 3.33Å; I295-S299 PolarHBondContact O-OG 3.08Å; S299-M303 WeakPolarHBondContact O-CB 3.28Å; S299-M303 VanDerWaalsContact O-CG 3.25Å; S299-M303 WeakPolarHBondContact O-CG 3.3Å; S299-M303 PolarHBondContact O-N 2.98Å; S299-M303 VanDerWaalsContact O-N 3.07Å
300	F	97.5	Very high	96.5	Very high	25 Å²	25	26.1 Å²	26.1	11%	0.11	15%	0.147	C	C	.	.	H	α-helix	trans	-59	-50.7	175.3	172	-89.3	0	0	0	112.3	Y258 V261 S296 R297 L298 F302 M303 A304	Y258-F300 HydrophobicContact CD2-CD1 4.45Å; Y258-F300 HydrophobicContact CD2-CD2 4.15Å; Y258-F300 HydrophobicContact CD2-CE1 4.05Å; Y258-F300 AromaticContact CD2-CE2 3.71Å; Y258-F300 HydrophobicContact CD2-CE2 3.71Å; Y258-F300 AromaticContact CD2-CZ 3.66Å; Y258-F300 HydrophobicContact CD2-CZ 3.66Å; Y258-F300 AromaticContact CE2-CD1 3.77Å; Y258-F300 HydrophobicContact CE2-CD1 3.77Å; Y258-F300 AromaticContact CE2-CD2 3.94Å; Y258-F300 HydrophobicContact CE2-CD2 3.94Å; Y258-F300 AromaticContact CE2-CE1 3.75Å; Y258-F300 HydrophobicContact CE2-CE1 3.75Å; Y258-F300 AromaticContact CE2-CE2 3.92Å; Y258-F300 HydrophobicContact CE2-CE2 3.92Å; Y258-F300 AromaticContact CE2-CG 3.88Å; Y258-F300 HydrophobicContact CE2-CG 3.88Å; Y258-F300 AromaticContact CE2-CZ 3.83Å; Y258-F300 HydrophobicContact CE2-CZ 3.83Å; V261-F300 HydrophobicContact CB-CD2 4.46Å; V261-F300 HydrophobicContact CB-CE2 4.2Å; V261-F300 HydrophobicContact CG1-CD2 3.75Å; V261-F300 HydrophobicContact CG1-CE2 3.68Å; S296-F300 PolarHBondContact O-N 3.12Å; S296-F300 VanDerWaalsContact O-N 3.08Å; R297-F300 PolarHBondContact O-N 2.97Å; L298-F300 VanDerWaalsContact C-N 3.33Å; L298-F300 PolarHBondContact O-N 3.05Å; F300-F302 PolarHBondContact O-N 2.66Å; F300-M303 PolarHBondContact O-N 3.05Å; F300-A304 HydrophobicContact CE1-CB 4.43Å; F300-A304 HydrophobicContact CZ-CB 4.33Å; F300-A304 VanDerWaalsContact O-CB 3.22Å; F300-A304 WeakPolarHBondContact O-CB 3.41Å; F300-A304 PolarHBondContact O-N 2.9Å
301	E	97.2	Very high	96.5	Very high	13 Å²	13	24.9 Å²	24.9	6%	0.061	14%	0.141	C	C	.	.	H	α-helix	trans	-61.9	-42.3	-176.7	-74.4	-166.9	165.5	0	0	112.2	I116 S117 R297 L298 A305	I116-E301 WeakPolarHBondContact CG1-OE2 3.49Å; I116-E301 PolarHBondContact N-OE2 2.95Å; S117-E301 PolarHBondContact N-OE2 3.01Å; S117-E301 VanDerWaalsContact OG-CD 3.27Å; S117-E301 PolarHBondContact OG-OE1 2.9Å; R297-E301 IonicContact CZ-OE1 2.66Å; R297-E301 IonicContact NE-OE1 2.64Å; R297-E301 PolarHBondContact NE-OE1 2.9Å; R297-E301 VanDerWaalsContact NE-OE1 3.08Å; R297-E301 IonicContact NH2-OE1 2.78Å; R297-E301 PolarHBondContact NH2-OE1 3.27Å; R297-E301 WeakPolarHBondContact O-CG 3.44Å; R297-E301 PolarHBondContact O-N 3.31Å; L298-E301 PolarHBondContact O-N 3.45Å; E301-A305 WeakPolarHBondContact O-CB 3.26Å; E301-A305 PolarHBondContact O-N 3.5Å
302	F	97.4	Very high	96.4	Very high	15 Å²	15	23.5 Å²	23.5	7%	0.066	13%	0.13	C	C	.	.	H	α-helix	trans	-68.5	-46	-179.9	-62	-30.1	0	0	0	112.1	I116 F131 I196 L279 L282 L298 F300 G306	I116-F302 HydrophobicContact CD1-CE1 3.84Å; F131-F302 HydrophobicContact CB-CZ 4.38Å; F131-F302 HydrophobicContact CD1-CE1 4.08Å; F131-F302 AromaticContact CD2-CE1 3.65Å; F131-F302 HydrophobicContact CD2-CE1 3.65Å; F131-F302 HydrophobicContact CD2-CE2 4.11Å; F131-F302 AromaticContact CD2-CZ 3.41Å; F131-F302 HydrophobicContact CD2-CZ 3.41Å; F131-F302 VanDerWaalsContact CD2-CZ 3.41Å; F131-F302 HydrophobicContact CE1-CE1 4.07Å; F131-F302 HydrophobicContact CE2-CD1 4.05Å; F131-F302 AromaticContact CE2-CE1 3.62Å; F131-F302 HydrophobicContact CE2-CE1 3.62Å; F131-F302 HydrophobicContact CE2-CE2 4.21Å; F131-F302 AromaticContact CE2-CZ 3.71Å; F131-F302 HydrophobicContact CE2-CZ 3.71Å; F131-F302 AromaticContact CG-CE1 3.88Å; F131-F302 HydrophobicContact CG-CE1 3.88Å; F131-F302 AromaticContact CG-CZ 3.84Å; F131-F302 HydrophobicContact CG-CZ 3.84Å; F131-F302 HydrophobicContact CZ-CD1 4.07Å; F131-F302 AromaticContact CZ-CE1 3.83Å; F131-F302 HydrophobicContact CZ-CE1 3.83Å; F131-F302 HydrophobicContact CZ-CZ 4.39Å; I196-F302 HydrophobicContact CD1-CB 3.65Å; I196-F302 HydrophobicContact CD1-CD2 3.78Å; I196-F302 HydrophobicContact CD1-CG 3.87Å; I196-F302 HydrophobicContact CG1-CB 3.84Å; I196-F302 HydrophobicContact CG1-CD2 4.48Å; I196-F302 HydrophobicContact CG2-CB 4.41Å; I196-F302 HydrophobicContact CG2-CD2 4.09Å; L279-F302 HydrophobicContact CD1-CE2 4.31Å; L282-F302 HydrophobicContact CD1-CE2 3.81Å; L282-F302 HydrophobicContact CD1-CZ 3.83Å; L298-F302 HydrophobicContact CB-CD2 4.29Å; L298-F302 HydrophobicContact CB-CE2 3.83Å; L298-F302 HydrophobicContact CB-CZ 4.2Å; L298-F302 HydrophobicContact CD2-CE1 4.37Å; L298-F302 HydrophobicContact CD2-CE2 4.4Å; L298-F302 HydrophobicContact CD2-CZ 3.89Å; L298-F302 HydrophobicContact CG-CZ 4.5Å; L298-F302 WeakPolarHBondContact O-CB 3.28Å; L298-F302 WeakPolarHBondContact O-CD2 3.31Å; L298-F302 WeakPolarHBondContact O-CG 3.35Å; L298-F302 PolarHBondContact O-N 3.36Å; F300-F302 PolarHBondContact O-N 2.66Å; F302-G306 WeakPolarHBondContact O-CA 3.28Å; F302-G306 PolarHBondContact O-N 2.93Å
303	M	97.7	Very high	96.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.4	-47.4	178.4	-69	-52.7	-54.9	0	0	111.8	W189 I192 W193 I196 F197 I265 S299 F300 T307	W189-M303 HydrophobicContact CD2-CE 3.49Å; W189-M303 VanDerWaalsContact CD2-CE 3.49Å; W189-M303 VanDerWaalsContact CE2-CE 3.45Å; W189-M303 HydrophobicContact CE3-CE 3.79Å; W189-M303 HydrophobicContact CG-CE 3.98Å; W189-M303 HydrophobicContact CH2-CB 4.1Å; W189-M303 HydrophobicContact CH2-CE 4.07Å; W189-M303 HydrophobicContact CZ2-CE 3.77Å; W189-M303 HydrophobicContact CZ3-CB 4.13Å; W189-M303 HydrophobicContact CZ3-CE 4.08Å; I192-M303 HydrophobicContact CB-CE 4.43Å; I192-M303 HydrophobicContact CB-SD 4.49Å; I192-M303 HydrophobicContact CG2-CE 4.24Å; I192-M303 HydrophobicContact CG2-SD 3.78Å; W193-M303 HydrophobicContact CB-CE 3.88Å; W193-M303 HydrophobicContact CB-SD 4.3Å; W193-M303 HydrophobicContact CE3-CE 4.07Å; W193-M303 HydrophobicContact CE3-SD 4.44Å; I196-M303 HydrophobicContact CG1-SD 4.5Å; F197-M303 HydrophobicContact CD2-SD 4.49Å; F197-M303 HydrophobicContact CE2-CG 3.92Å; F197-M303 HydrophobicContact CE2-SD 3.65Å; F197-M303 HydrophobicContact CZ-CG 4.02Å; F197-M303 HydrophobicContact CZ-SD 4.26Å; I265-M303 HydrophobicContact CD1-CB 4.01Å; I265-M303 HydrophobicContact CD1-CG 4.19Å; S299-M303 WeakPolarHBondContact O-CB 3.28Å; S299-M303 VanDerWaalsContact O-CG 3.25Å; S299-M303 WeakPolarHBondContact O-CG 3.3Å; S299-M303 PolarHBondContact O-N 2.98Å; S299-M303 VanDerWaalsContact O-N 3.07Å; F300-M303 PolarHBondContact O-N 3.05Å; M303-T307 WeakPolarHBondContact O-CB 3.18Å; M303-T307 PolarHBondContact O-N 2.9Å; M303-T307 PolarHBondContact O-OG1 3.06Å
304	A	96.2	Very high	96.3	Very high	6 Å²	6	14.2 Å²	14.2	5%	0.05	9%	0.09	C	C	.	.	H	α-helix	trans	-67	-54.9	-177.6	0	0	0	0	0	112.1	I215 F300 D308	I215-A304 HydrophobicContact CD1-CB 3.93Å; I215-A304 HydrophobicContact CG1-CB 4.3Å; I215-A304 HydrophobicContact CG2-CB 3.86Å; F300-A304 HydrophobicContact CE1-CB 4.43Å; F300-A304 HydrophobicContact CZ-CB 4.33Å; F300-A304 VanDerWaalsContact O-CB 3.22Å; F300-A304 WeakPolarHBondContact O-CB 3.41Å; F300-A304 PolarHBondContact O-N 2.9Å; A304-D308 WeakPolarHBondContact O-CB 3.42Å; A304-D308 PolarHBondContact O-N 3.31Å; A304-D308 VanDerWaalsContact O-N 3.14Å
305	A	95.8	Very high	96.1	Very high	61 Å²	61	14.3 Å²	14.3	50%	0.504	9%	0.09	S	C	.	.	H	α-helix	trans	-70.2	-39.5	-175.5	0	0	0	0	0	112.2	E301 T307 T309	E301-A305 WeakPolarHBondContact O-CB 3.26Å; E301-A305 PolarHBondContact O-N 3.5Å; A305-T307 VanDerWaalsContact C-N 3.33Å; A305-T307 PolarHBondContact O-N 3.25Å; A305-T309 PolarHBondContact O-OG1 3.11Å
306	G	95.9	Very high	95.8	Very high	20 Å²	20	13.5 Å²	13.5	21%	0.206	9%	0.085	C	C	.	.	H	α-helix	trans	-69.1	-29.3	-179.4	0	0	0	0	0	113.5	F302 T310	F302-G306 WeakPolarHBondContact O-CA 3.28Å; F302-G306 PolarHBondContact O-N 2.93Å; G306-T310 WeakPolarHBondContact O-CB 3.34Å; G306-T310 PolarHBondContact O-OG1 2.76Å
307	T	97.8	Very high	95.5	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-91.6	-55.8	-176.6	-52.2	0	0	0	0	113.2	V188 W189 L212 M303 A305 T309 T310 S311	V188-T307 HydrophobicContact CB-CG2 4.17Å; V188-T307 HydrophobicContact CG1-CG2 4.11Å; W189-T307 HydrophobicContact CB-CG2 3.87Å; W189-T307 HydrophobicContact CE3-CG2 4.12Å; L212-T307 HydrophobicContact CD1-CG2 3.72Å; L212-T307 HydrophobicContact CD2-CG2 3.83Å; L212-T307 HydrophobicContact CG-CG2 4.44Å; M303-T307 WeakPolarHBondContact O-CB 3.18Å; M303-T307 PolarHBondContact O-N 2.9Å; M303-T307 PolarHBondContact O-OG1 3.06Å; A305-T307 VanDerWaalsContact C-N 3.33Å; A305-T307 PolarHBondContact O-N 3.25Å; T307-T309 PolarHBondContact O-N 2.85Å; T307-T310 PolarHBondContact O-N 3.21Å; T307-S311 VanDerWaalsContact O-CB 3.28Å; T307-S311 WeakPolarHBondContact O-CB 2.89Å; T307-S311 PolarHBondContact O-N 3.37Å; T307-S311 PolarHBondContact O-OG 2.95Å
308	D	94.2	Very high	95.1	Very high	10 Å²	10	12.6 Å²	12.6	5%	0.053	8%	0.08	C	C	.	.	H	α-helix	trans	-66.2	-45.2	-167.3	-165.3	46	0	0	0	111	R185 L212 A304 T310 S311 L312	R185-D308 IonicContact CZ-OD1 2.68Å; R185-D308 IonicContact NE-OD1 3.77Å; R185-D308 IonicContact NH2-OD1 3.04Å; R185-D308 PolarHBondContact NH2-OD1 2.9Å; R185-D308 VanDerWaalsContact NH2-OD1 3.15Å; L212-D308 HydrophobicContact CD2-CB 4.26Å; A304-D308 WeakPolarHBondContact O-CB 3.42Å; A304-D308 PolarHBondContact O-N 3.31Å; A304-D308 VanDerWaalsContact O-N 3.14Å; D308-T310 PolarHBondContact O-N 2.75Å; D308-S311 PolarHBondContact O-N 2.68Å; D308-L312 WeakPolarHBondContact O-CB 3.41Å; D308-L312 VanDerWaalsContact O-CG 3.31Å; D308-L312 WeakPolarHBondContact O-CG 3.41Å; D308-L312 PolarHBondContact O-N 2.82Å
309	T	95.1	Very high	94.5	Very high	46 Å²	46	12.6 Å²	12.6	28%	0.282	8%	0.081	S	C	.	.	H	α-helix	trans	-66	-42.9	-178.8	63.5	0	0	0	0	113.1	A305 T307 T313 V346 V347	A305-T309 PolarHBondContact O-OG1 3.11Å; T307-T309 PolarHBondContact O-N 2.85Å; T309-T313 PolarHBondContact O-N 3.38Å; T309-T313 PolarHBondContact O-OG1 2.82Å; T309-V346 HydrophobicContact CG2-CG1 4.32Å; T309-V347 HydrophobicContact CG2-CG2 4.03Å
310	T	97.3	Very high	93.8	Very high	3 Å²	3	15.6 Å²	15.6	2%	0.018	9%	0.092	C	C	.	.	H	α-helix	trans	-65.5	-44.1	177.2	-51.4	0	0	0	0	110.8	V188 G306 T307 D308 L312 T313 L314 L422 I423	V188-T310 HydrophobicContact CG1-CG2 4.06Å; V188-T310 HydrophobicContact CG2-CG2 4.08Å; G306-T310 WeakPolarHBondContact O-CB 3.34Å; G306-T310 PolarHBondContact O-OG1 2.76Å; T307-T310 PolarHBondContact O-N 3.21Å; D308-T310 PolarHBondContact O-N 2.75Å; T310-L312 PolarHBondContact O-N 3.16Å; T310-T313 WeakPolarHBondContact O-CB 3.32Å; T310-T313 PolarHBondContact O-N 2.84Å; T310-L314 HydrophobicContact CG2-CD1 4.26Å; T310-L314 WeakPolarHBondContact O-CG 3.3Å; T310-L314 PolarHBondContact O-N 2.63Å; T310-L422 HydrophobicContact CG2-CB 4.18Å; T310-I423 HydrophobicContact CG2-CG1 4.01Å
311	S	96	Very high	93.1	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-64.5	-41	179.4	-55.5	0	0	0	0	112	M184 R185 T307 D308 L314 T315	M184-S311 PolarHBondContact O-OG 3.02Å; R185-S311 WeakPolarHBondContact CA-OG 3.42Å; R185-S311 PolarHBondContact N-OG 3.02Å; T307-S311 VanDerWaalsContact O-CB 3.28Å; T307-S311 WeakPolarHBondContact O-CB 2.89Å; T307-S311 PolarHBondContact O-N 3.37Å; T307-S311 PolarHBondContact O-OG 2.95Å; D308-S311 PolarHBondContact O-N 2.68Å; S311-L314 PolarHBondContact O-N 3.19Å; S311-T315 WeakPolarHBondContact O-CB 3.2Å; S311-T315 PolarHBondContact O-N 3.04Å; S311-T315 PolarHBondContact O-OG1 2.71Å
312	L	92.9	Very high	92.3	Very high	39 Å²	39	14.4 Å²	14.4	20%	0.204	9%	0.088	C	C	.	.	H	α-helix	trans	-63.8	-42.3	173.4	-74	169.5	0	0	0	111.1	L181 D308 T310 L314 T315 W316 V346	L181-L312 HydrophobicContact CD1-CD2 3.9Å; L181-L312 HydrophobicContact CD1-CG 4.45Å; D308-L312 WeakPolarHBondContact O-CB 3.41Å; D308-L312 VanDerWaalsContact O-CG 3.31Å; D308-L312 WeakPolarHBondContact O-CG 3.41Å; D308-L312 PolarHBondContact O-N 2.82Å; T310-L312 PolarHBondContact O-N 3.16Å; L312-L314 PolarHBondContact O-N 2.95Å; L312-T315 PolarHBondContact O-N 2.94Å; L312-W316 PolarHBondContact O-N 3.41Å; L312-V346 HydrophobicContact CB-CG1 3.84Å; L312-V346 HydrophobicContact CB-CG2 4.03Å; L312-V346 HydrophobicContact CD1-CG1 3.88Å
313	T	95.4	Very high	91.3	Very high	10 Å²	10	15.8 Å²	15.8	6%	0.061	9%	0.092	C	C	.	.	H	α-helix	trans	-60.6	-44.9	177	-54.3	0	0	0	0	111.4	T309 T310 T315 W316 A317 I340 V346 I423	T309-T313 PolarHBondContact O-N 3.38Å; T309-T313 PolarHBondContact O-OG1 2.82Å; T310-T313 WeakPolarHBondContact O-CB 3.32Å; T310-T313 PolarHBondContact O-N 2.84Å; T313-T315 VanDerWaalsContact C-N 3.34Å; T313-T315 PolarHBondContact O-N 3.3Å; T313-W316 PolarHBondContact O-N 2.85Å; T313-A317 WeakPolarHBondContact O-CB 3.06Å; T313-A317 PolarHBondContact O-N 3.08Å; T313-I340 HydrophobicContact CG2-CG2 4.09Å; T313-V346 WeakPolarHBondContact OG1-CG2 3.48Å; T313-I423 HydrophobicContact CG2-CD1 3.68Å; T313-I423 HydrophobicContact CG2-CG1 4.23Å
314	L	95.1	Very high	90	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-64.2	-36.9	175.2	-73.9	165.2	0	0	0	112.7	M184 V188 T310 S311 L312 A317 C318 I423 I426 L427	M184-L314 HydrophobicContact CB-CB 4.31Å; M184-L314 HydrophobicContact CB-CD1 4.49Å; M184-L314 HydrophobicContact CG-CB 3.78Å; M184-L314 HydrophobicContact CG-CD1 4.45Å; M184-L314 HydrophobicContact SD-CB 3.94Å; M184-L314 HydrophobicContact SD-CD1 4.01Å; M184-L314 HydrophobicContact SD-CG 4.47Å; V188-L314 HydrophobicContact CG2-CD1 3.79Å; T310-L314 HydrophobicContact CG2-CD1 4.26Å; T310-L314 WeakPolarHBondContact O-CG 3.3Å; T310-L314 PolarHBondContact O-N 2.63Å; S311-L314 PolarHBondContact O-N 3.19Å; L312-L314 PolarHBondContact O-N 2.95Å; L314-A317 WeakPolarHBondContact O-CB 3.37Å; L314-A317 PolarHBondContact O-N 3.32Å; L314-C318 PolarHBondContact O-N 2.93Å; L314-C318 PolarHBondContact O-SG 2.82Å; L314-I423 HydrophobicContact CG-CG1 4.5Å; L314-I426 HydrophobicContact CD1-CB 4.2Å; L314-I426 HydrophobicContact CD1-CD1 3.73Å; L314-I426 HydrophobicContact CD1-CG2 3.96Å; L314-I426 HydrophobicContact CD2-CB 3.94Å; L314-I426 HydrophobicContact CD2-CG2 3.82Å; L314-L427 HydrophobicContact CD2-CB 4.31Å
315	T	92.1	Very high	88.4	Confident	3 Å²	3	21.1 Å²	21.1	2%	0.018	13%	0.128	C	C	.	.	H	α-helix	trans	-66.1	-45.5	176.3	-56.5	0	0	0	0	110.8	V180 L181 S311 L312 T313 A317 C318 D319	V180-T315 HydrophobicContact CB-CG2 4.48Å; V180-T315 HydrophobicContact CG1-CG2 4.36Å; L181-T315 WeakPolarHBondContact CA-OG1 3.15Å; L181-T315 HydrophobicContact CB-CG2 4.21Å; S311-T315 WeakPolarHBondContact O-CB 3.2Å; S311-T315 PolarHBondContact O-N 3.04Å; S311-T315 PolarHBondContact O-OG1 2.71Å; L312-T315 PolarHBondContact O-N 2.94Å; T313-T315 VanDerWaalsContact C-N 3.34Å; T313-T315 PolarHBondContact O-N 3.3Å; T315-A317 VanDerWaalsContact C-N 3.3Å; T315-A317 PolarHBondContact O-N 2.94Å; T315-C318 PolarHBondContact O-N 3.48Å; T315-D319 PolarHBondContact O-N 2.83Å
316	W	89.8	Confident	86.6	Confident	10 Å²	10	21.2 Å²	21.2	4%	0.038	12%	0.124	C	C	.	.	H	α-helix	trans	-62.8	-35.3	172.6	-82.3	112.7	0	0	0	112.7	L312 T313 D319 Y320 W343 A344 H467 I468 I472	L312-W316 PolarHBondContact O-N 3.41Å; T313-W316 PolarHBondContact O-N 2.85Å; W316-D319 PolarHBondContact O-N 3.4Å; W316-Y320 VanDerWaalsContact O-CB 3.3Å; W316-Y320 WeakPolarHBondContact O-CB 3.44Å; W316-Y320 PolarHBondContact O-N 3.08Å; W316-W343 AromaticContact CE3-CD1 3.49Å; W316-W343 VanDerWaalsContact CE3-CD1 3.49Å; W316-W343 AromaticContact CE3-NE1 3.41Å; W316-W343 AromaticContact CZ3-CD1 3.96Å; W316-W343 AromaticContact CZ3-NE1 3.5Å; W316-A344 HydrophobicContact CB-CB 3.47Å; W316-A344 VanDerWaalsContact CB-CB 3.47Å; W316-A344 HydrophobicContact CD2-CB 4.22Å; W316-A344 HydrophobicContact CG-CB 3.48Å; W316-A344 VanDerWaalsContact CG-CB 3.48Å; W316-H467 HydrophobicContact CH2-CB 3.6Å; W316-H467 HydrophobicContact CZ2-CB 4.23Å; W316-I468 HydrophobicContact CZ2-CG1 4.15Å; W316-I472 HydrophobicContact CD2-CD1 3.6Å; W316-I472 HydrophobicContact CD2-CG1 4.41Å; W316-I472 HydrophobicContact CE3-CD1 4.28Å; W316-I472 HydrophobicContact CG-CD1 3.94Å; W316-I472 HydrophobicContact CH2-CD1 4.26Å; W316-I472 HydrophobicContact CH2-CG1 4.06Å; W316-I472 HydrophobicContact CZ2-CD1 3.54Å; W316-I472 HydrophobicContact CZ2-CG1 3.62Å
317	A	90.4	Very high	84.3	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.6	-45.6	173.2	0	0	0	0	0	111	T313 L314 T315 Y320 L321 I340 L427	T313-A317 WeakPolarHBondContact O-CB 3.06Å; T313-A317 PolarHBondContact O-N 3.08Å; L314-A317 WeakPolarHBondContact O-CB 3.37Å; L314-A317 PolarHBondContact O-N 3.32Å; T315-A317 VanDerWaalsContact C-N 3.3Å; T315-A317 PolarHBondContact O-N 2.94Å; A317-Y320 PolarHBondContact O-N 3.45Å; A317-L321 WeakPolarHBondContact O-CB 3.29Å; A317-L321 VanDerWaalsContact O-CG 3.28Å; A317-L321 WeakPolarHBondContact O-CG 3.49Å; A317-L321 PolarHBondContact O-N 2.95Å; A317-I340 HydrophobicContact CB-CD1 3.71Å; A317-I340 HydrophobicContact CB-CG1 4.16Å; A317-I340 HydrophobicContact CB-CG2 3.82Å; A317-L427 HydrophobicContact CB-CD1 3.77Å; A317-L427 HydrophobicContact CB-CD2 3.83Å; A317-L427 HydrophobicContact CB-CG 4.47Å
318	C	89.1	Confident	82.1	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.7	-42.9	176	-63.3	0	0	0	0	111.8	V180 L314 T315 Y320 L321 A322 I436 I476	V180-C318 HydrophobicContact CG1-CB 3.95Å; L314-C318 PolarHBondContact O-N 2.93Å; L314-C318 PolarHBondContact O-SG 2.82Å; T315-C318 PolarHBondContact O-N 3.48Å; C318-Y320 VanDerWaalsContact C-N 3.34Å; C318-Y320 PolarHBondContact O-N 3.36Å; C318-L321 PolarHBondContact O-N 2.86Å; C318-A322 VanDerWaalsContact O-CB 3.27Å; C318-A322 WeakPolarHBondContact O-CB 2.85Å; C318-A322 PolarHBondContact O-N 3.06Å; C318-I436 HydrophobicContact CB-CD1 4.18Å; C318-I436 HydrophobicContact CB-CG2 4.48Å; C318-I476 HydrophobicContact CB-CD1 3.98Å
319	D	83.7	Confident	80.2	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.016	22%	0.222	C	C	.	.	H	α-helix	trans	-60.5	-42.4	174	171	74	0	0	0	111.9	T315 W316 A322 R323 W343 I476	T315-D319 PolarHBondContact O-N 2.83Å; W316-D319 PolarHBondContact O-N 3.4Å; D319-A322 PolarHBondContact O-N 2.87Å; D319-R323 WeakPolarHBondContact O-CG 3.48Å; D319-R323 PolarHBondContact O-N 2.91Å; D319-R323 IonicContact OD1-CZ 3.92Å; D319-R323 IonicContact OD1-NE 3.33Å; D319-R323 PolarHBondContact OD1-NE 3.07Å; D319-R323 IonicContact OD1-NH2 3.86Å; D319-R323 PolarHBondContact OD1-NH2 3.4Å; D319-R323 IonicContact OD2-CZ 3.51Å; D319-R323 IonicContact OD2-NE 2.62Å; D319-R323 PolarHBondContact OD2-NE 2.98Å; D319-R323 IonicContact OD2-NH2 2.78Å; D319-W343 PolarHBondContact OD2-NE1 2.96Å; D319-I476 HydrophobicContact CB-CD1 4.19Å
320	Y	82.7	Confident	78.5	Confident	64 Å²	64	41.8 Å²	41.8	25%	0.251	22%	0.221	S	C	.	.	H	α-helix	trans	-62	-48.4	177	-178	-92.2	0	0	0	111.5	W316 A317 C318 A322 R323 A324 L336 M339 I340 W343	W316-Y320 VanDerWaalsContact O-CB 3.3Å; W316-Y320 WeakPolarHBondContact O-CB 3.44Å; W316-Y320 PolarHBondContact O-N 3.08Å; A317-Y320 PolarHBondContact O-N 3.45Å; C318-Y320 VanDerWaalsContact C-N 3.34Å; C318-Y320 PolarHBondContact O-N 3.36Å; Y320-A322 VanDerWaalsContact C-N 3.35Å; Y320-A322 PolarHBondContact O-N 3.32Å; Y320-R323 PolarHBondContact O-N 2.96Å; Y320-R323 VanDerWaalsContact O-N 3.17Å; Y320-A324 PolarHBondContact O-N 2.82Å; Y320-L336 HydrophobicContact CD1-CD1 3.9Å; Y320-L336 HydrophobicContact CE1-CD1 3.43Å; Y320-L336 VanDerWaalsContact CE1-CD1 3.43Å; Y320-M339 HydrophobicContact CE1-CG 4.34Å; Y320-M339 HydrophobicContact CE2-CG 3.68Å; Y320-M339 WeakPolarHBondContact OH-CG 3.44Å; Y320-I340 HydrophobicContact CD1-CG1 4.26Å; Y320-I340 HydrophobicContact CG-CG1 4.45Å; Y320-W343 HydrophobicContact CD2-CB 4.37Å; Y320-W343 HydrophobicContact CD2-CD2 4.26Å; Y320-W343 HydrophobicContact CD2-CG 4.01Å
321	L	83	Confident	77	Confident	12 Å²	12	50.9 Å²	50.9	6%	0.063	26%	0.26	C	S	.	.	H	α-helix	trans	-63.9	-37.9	177.4	-68.7	177.2	0	0	0	112.3	A317 C318 R323 A324 L330 L336 L427 I436	A317-L321 WeakPolarHBondContact O-CB 3.29Å; A317-L321 VanDerWaalsContact O-CG 3.28Å; A317-L321 WeakPolarHBondContact O-CG 3.49Å; A317-L321 PolarHBondContact O-N 2.95Å; C318-L321 PolarHBondContact O-N 2.86Å; L321-R323 PolarHBondContact O-N 2.83Å; L321-R323 VanDerWaalsContact O-N 3.16Å; L321-A324 WeakPolarHBondContact O-CB 3.5Å; L321-A324 PolarHBondContact O-N 2.8Å; L321-A324 VanDerWaalsContact O-N 3.07Å; L321-L330 HydrophobicContact CD2-CD1 3.41Å; L321-L330 VanDerWaalsContact CD2-CD1 3.41Å; L321-L336 HydrophobicContact CD2-CD2 4.22Å; L321-L427 HydrophobicContact CD1-CD1 3.71Å; L321-I436 HydrophobicContact CB-CB 4.43Å; L321-I436 HydrophobicContact CB-CD1 4.06Å; L321-I436 HydrophobicContact CD1-CD1 3.8Å
322	A	80.9	Confident	75.8	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-62.2	-20.6	176.2	0	0	0	0	0	113.6	C318 D319 Y320 I436 N438 Q441 I476	C318-A322 VanDerWaalsContact O-CB 3.27Å; C318-A322 WeakPolarHBondContact O-CB 2.85Å; C318-A322 PolarHBondContact O-N 3.06Å; D319-A322 PolarHBondContact O-N 2.87Å; Y320-A322 VanDerWaalsContact C-N 3.35Å; Y320-A322 PolarHBondContact O-N 3.32Å; A322-I436 HydrophobicContact CB-CG2 3.82Å; A322-N438 HydrophobicContact CB-CB 4.4Å; A322-Q441 PolarHBondContact O-OE1 2.93Å; A322-I476 HydrophobicContact CB-CG2 4.02Å
323	R	75.5	Confident	75.2	Confident	43 Å²	43	53.4 Å²	53.4	16%	0.162	28%	0.277	C	S	.	.	H	α-helix	trans	-99.5	-11.4	177.9	-64.7	173.7	-166.9	-127.7	5.2	112.6	D319 Y320 L321 F452	D319-R323 WeakPolarHBondContact O-CG 3.48Å; D319-R323 PolarHBondContact O-N 2.91Å; D319-R323 IonicContact OD1-CZ 3.92Å; D319-R323 IonicContact OD1-NE 3.33Å; D319-R323 PolarHBondContact OD1-NE 3.07Å; D319-R323 IonicContact OD1-NH2 3.86Å; D319-R323 PolarHBondContact OD1-NH2 3.4Å; D319-R323 IonicContact OD2-CZ 3.51Å; D319-R323 IonicContact OD2-NE 2.62Å; D319-R323 PolarHBondContact OD2-NE 2.98Å; D319-R323 IonicContact OD2-NH2 2.78Å; Y320-R323 PolarHBondContact O-N 2.96Å; Y320-R323 VanDerWaalsContact O-N 3.17Å; L321-R323 PolarHBondContact O-N 2.83Å; L321-R323 VanDerWaalsContact O-N 3.16Å; R323-F452 WeakPolarHBondContact O-CE2 3.49Å; R323-F452 WeakPolarHBondContact O-CZ 3.22Å
324	A	70.9	Confident	74.6	Confident	21 Å²	21	56.9 Å²	56.9	17%	0.174	30%	0.302	C	S	.	.	S	Bend	trans	-73.3	153	176.7	0	0	0	0	0	110.6	Y320 L321 L330	Y320-A324 PolarHBondContact O-N 2.82Å; L321-A324 WeakPolarHBondContact O-CB 3.5Å; L321-A324 PolarHBondContact O-N 2.8Å; L321-A324 VanDerWaalsContact O-N 3.07Å; A324-L330 HydrophobicContact CB-CD1 3.99Å
325	P	63.3	Low	74.1	Confident	98 Å²	98	61.2 Å²	61.2	64%	0.636	33%	0.325	S	S	*	.			trans	-55	133.6	176.4	-23.8	32.9	0	0	0	111.5	K327	P325-K327 PolarHBondContact O-N 3.33Å
326	P	57	Low	73.7	Confident	62 Å²	62	61.7 Å²	61.7	40%	0.403	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	10.1	-164.6	23.4	-33.3	0	0	0	116.8
327	K	48.4	Very low	73.7	Confident	198 Å²	198	61.9 Å²	61.9	86%	0.861	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.2	3.6	-164.3	-87.2	-166.2	177.3	-176	0	118.5	P325	P325-K327 PolarHBondContact O-N 3.33Å
328	E	52	Low	73.8	Confident	156 Å²	156	63.7 Å²	63.7	73%	0.729	34%	0.339	S	S	*	.			trans	-114.9	122.3	166.5	-72.3	178.6	-179.1	0	0	107.9	L330	E328-L330 PolarHBondContact O-N 2.96Å
329	S	52.8	Low	73.8	Confident	106 Å²	106	65.8 Å²	65.8	74%	0.741	35%	0.349	S	S	*	.			trans	-54.5	90.8	153.2	44	0	0	0	0	105.9	K331	S329-K331 PolarHBondContact O-N 3Å
330	L	61	Low	74.1	Confident	49 Å²	49	65.7 Å²	65.7	26%	0.257	35%	0.349	S	S	.	.			trans	-58.3	112.4	-173.4	-86.2	154.9	0	0	0	105.8	L321 A324 E328 L332 L336 N431	L321-L330 HydrophobicContact CD2-CD1 3.41Å; L321-L330 VanDerWaalsContact CD2-CD1 3.41Å; A324-L330 HydrophobicContact CB-CD1 3.99Å; E328-L330 PolarHBondContact O-N 2.96Å; L330-L332 PolarHBondContact O-N 2.84Å; L330-L336 HydrophobicContact CB-CD2 3.97Å; L330-L336 HydrophobicContact CD2-CD2 4.49Å; L330-N431 PolarHBondContact O-ND2 2.86Å
331	K	65.2	Low	74.7	Confident	193 Å²	193	63.1 Å²	63.1	84%	0.839	34%	0.339	S	S	*	.			trans	-58.3	117	167.8	-76.6	-175.8	179.4	178.1	0	105.3	S329 S333	S329-K331 PolarHBondContact O-N 3Å; K331-S333 PolarHBondContact O-N 3.37Å
332	L	71.6	Confident	75.1	Confident	43 Å²	43	63.3 Å²	63.3	23%	0.225	34%	0.339	C	S	.	.			trans	-66.3	88.3	174.8	-81.1	155.4	0	0	0	108.2	L330 L336 L427 T428 N431	L330-L332 PolarHBondContact O-N 2.84Å; L332-L336 HydrophobicContact CD2-CD2 3.65Å; L332-L336 HydrophobicContact CD2-CG 4.24Å; L332-L336 HydrophobicContact CG-CD2 4.28Å; L332-L427 HydrophobicContact CD1-CB 4.34Å; L332-L427 HydrophobicContact CD1-CG 4.06Å; L332-L427 HydrophobicContact CD2-CB 4.44Å; L332-L427 HydrophobicContact CD2-CD2 3.39Å; L332-L427 HydrophobicContact CD2-CG 3.65Å; L332-T428 WeakPolarHBondContact CD1-OG1 3.25Å; L332-N431 HydrophobicContact CD1-CB 3.91Å
333	S	80.1	Confident	75.4	Confident	49 Å²	49	64.3 Å²	64.3	34%	0.343	34%	0.343	S	S	.	.			trans	-83	161.8	171.1	61.9	0	0	0	0	109.6	K331 D335 L336 I337	K331-S333 PolarHBondContact O-N 3.37Å; S333-D335 PolarHBondContact O-N 3.37Å; S333-D335 PolarHBondContact OG-N 2.94Å; S333-L336 PolarHBondContact O-N 3.38Å; S333-L336 PolarHBondContact OG-N 2.77Å; S333-I337 PolarHBondContact O-N 3.32Å
334	S	82.4	Confident	76.1	Confident	84 Å²	84	62.3 Å²	62.3	59%	0.587	34%	0.335	S	S	*	.	H	α-helix	trans	-48.9	-40.1	165.4	47.5	0	0	0	0	111.5	L336 I337 D338	S334-L336 VanDerWaalsContact C-N 3.34Å; S334-L336 PolarHBondContact O-N 2.86Å; S334-I337 PolarHBondContact O-N 2.68Å; S334-D338 WeakPolarHBondContact O-CB 3.37Å; S334-D338 PolarHBondContact O-N 3.41Å
335	D	83.2	Confident	77.1	Confident	90 Å²	90	61.5 Å²	61.5	48%	0.481	33%	0.328	S	S	.	.	H	α-helix	trans	-66.5	-35.5	-176	-55	-16.9	0	0	0	112.5	S333 D338 M339	S333-D335 PolarHBondContact O-N 3.37Å; S333-D335 PolarHBondContact OG-N 2.94Å; D335-D338 PolarHBondContact O-N 3.34Å; D335-M339 WeakPolarHBondContact O-CB 3.46Å; D335-M339 PolarHBondContact O-N 3.3Å
336	L	85.2	Confident	78.4	Confident	13 Å²	13	58.6 Å²	58.6	7%	0.068	31%	0.308	C	S	.	.	H	α-helix	trans	-68.5	-43	175.9	177.7	56.1	0	0	0	110.9	Y320 L321 L330 L332 S333 S334 D338 M339 I340	Y320-L336 HydrophobicContact CD1-CD1 3.9Å; Y320-L336 HydrophobicContact CE1-CD1 3.43Å; Y320-L336 VanDerWaalsContact CE1-CD1 3.43Å; L321-L336 HydrophobicContact CD2-CD2 4.22Å; L330-L336 HydrophobicContact CB-CD2 3.97Å; L330-L336 HydrophobicContact CD2-CD2 4.49Å; L332-L336 HydrophobicContact CD2-CD2 3.65Å; L332-L336 HydrophobicContact CD2-CG 4.24Å; L332-L336 HydrophobicContact CG-CD2 4.28Å; S333-L336 PolarHBondContact O-N 3.38Å; S333-L336 PolarHBondContact OG-N 2.77Å; S334-L336 VanDerWaalsContact C-N 3.34Å; S334-L336 PolarHBondContact O-N 2.86Å; L336-D338 VanDerWaalsContact C-N 3.31Å; L336-D338 PolarHBondContact O-N 3.42Å; L336-M339 WeakPolarHBondContact O-CB 3.46Å; L336-M339 PolarHBondContact O-N 3.46Å; L336-I340 HydrophobicContact CD1-CD1 4.3Å; L336-I340 HydrophobicContact CD1-CG1 4.5Å; L336-I340 HydrophobicContact CG-CD1 4.13Å; L336-I340 VanDerWaalsContact O-CG1 3.29Å; L336-I340 WeakPolarHBondContact O-CG1 3.48Å; L336-I340 PolarHBondContact O-N 2.87Å
337	I	89.7	Confident	80.1	Confident	15 Å²	15	58.4 Å²	58.4	8%	0.077	31%	0.306	C	S	.	.	H	α-helix	trans	-64	-41.4	175.8	-65.2	172	0	0	0	110.3	S333 S334 M339 I340 H341 E424	S333-I337 PolarHBondContact O-N 3.32Å; S334-I337 PolarHBondContact O-N 2.68Å; I337-M339 VanDerWaalsContact C-N 3.32Å; I337-M339 PolarHBondContact O-N 3.36Å; I337-I340 WeakPolarHBondContact O-CB 3.35Å; I337-I340 PolarHBondContact O-N 2.83Å; I337-H341 PolarHBondContact O-CD2 3.46Å; I337-H341 PolarHBondContact O-N 3.24Å; I337-E424 HydrophobicContact CD1-CG 3.39Å
338	D	91.5	Very high	82.2	Confident	38 Å²	38	50.3 Å²	50.3	20%	0.203	27%	0.274	C	S	.	.	H	α-helix	trans	-60.7	-43.7	174.7	-85.7	-3.1	0	0	0	111.4	S334 D335 L336 H341 R342 P403	S334-D338 WeakPolarHBondContact O-CB 3.37Å; S334-D338 PolarHBondContact O-N 3.41Å; D335-D338 PolarHBondContact O-N 3.34Å; L336-D338 VanDerWaalsContact C-N 3.31Å; L336-D338 PolarHBondContact O-N 3.42Å; D338-H341 PolarHBondContact O-N 3.13Å; D338-R342 WeakPolarHBondContact O-CG 3.26Å; D338-R342 PolarHBondContact O-N 2.78Å; D338-P403 HydrophobicContact CB-CG 3.82Å; D338-P403 WeakPolarHBondContact OD1-CD 3.42Å; D338-P403 WeakPolarHBondContact OD1-CG 3.2Å
339	M	89.6	Confident	84.3	Confident	43 Å²	43	44.4 Å²	44.4	21%	0.212	25%	0.247	C	C	.	.	H	α-helix	trans	-61.5	-43.3	175	-174.9	57.9	71.1	0	0	111.9	Y320 D335 L336 I337 H341 R342 W343 I384 L387	Y320-M339 HydrophobicContact CE1-CG 4.34Å; Y320-M339 HydrophobicContact CE2-CG 3.68Å; Y320-M339 WeakPolarHBondContact OH-CG 3.44Å; D335-M339 WeakPolarHBondContact O-CB 3.46Å; D335-M339 PolarHBondContact O-N 3.3Å; L336-M339 WeakPolarHBondContact O-CB 3.46Å; L336-M339 PolarHBondContact O-N 3.46Å; I337-M339 VanDerWaalsContact C-N 3.32Å; I337-M339 PolarHBondContact O-N 3.36Å; M339-H341 VanDerWaalsContact C-N 3.33Å; M339-H341 PolarHBondContact O-N 3.4Å; M339-R342 PolarHBondContact O-N 3.41Å; M339-W343 VanDerWaalsContact O-CB 3.31Å; M339-W343 WeakPolarHBondContact O-CB 3.36Å; M339-W343 PolarHBondContact O-N 3.21Å; M339-I384 HydrophobicContact SD-CG1 4.47Å; M339-L387 HydrophobicContact CE-CD1 3.61Å
340	I	90.7	Very high	86.4	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-59.9	-43.9	174.8	-71	160.5	0	0	0	110.5	T313 A317 Y320 L336 I337 R342 W343 A344 L427	T313-I340 HydrophobicContact CG2-CG2 4.09Å; A317-I340 HydrophobicContact CB-CD1 3.71Å; A317-I340 HydrophobicContact CB-CG1 4.16Å; A317-I340 HydrophobicContact CB-CG2 3.82Å; Y320-I340 HydrophobicContact CD1-CG1 4.26Å; Y320-I340 HydrophobicContact CG-CG1 4.45Å; L336-I340 HydrophobicContact CD1-CD1 4.3Å; L336-I340 HydrophobicContact CD1-CG1 4.5Å; L336-I340 HydrophobicContact CG-CD1 4.13Å; L336-I340 VanDerWaalsContact O-CG1 3.29Å; L336-I340 WeakPolarHBondContact O-CG1 3.48Å; L336-I340 PolarHBondContact O-N 2.87Å; I337-I340 WeakPolarHBondContact O-CB 3.35Å; I337-I340 PolarHBondContact O-N 2.83Å; I340-R342 PolarHBondContact O-N 2.64Å; I340-W343 PolarHBondContact O-N 3.03Å; I340-A344 WeakPolarHBondContact O-CB 3.18Å; I340-A344 PolarHBondContact O-N 3.17Å; I340-L427 HydrophobicContact CD1-CD2 3.54Å
341	H	94.4	Very high	88	Confident	10 Å²	10	41.6 Å²	41.6	5%	0.046	22%	0.224	C	C	.	.	H	α-helix	trans	-63.7	-40.1	178.2	-81	-49.7	0	0	0	112.8	I337 D338 M339 S345 P403 P405	I337-H341 PolarHBondContact O-CD2 3.46Å; I337-H341 PolarHBondContact O-N 3.24Å; D338-H341 PolarHBondContact O-N 3.13Å; M339-H341 VanDerWaalsContact C-N 3.33Å; M339-H341 PolarHBondContact O-N 3.4Å; H341-S345 PolarHBondContact O-N 3.3Å; H341-S345 VanDerWaalsContact O-N 3.15Å; H341-P403 HydrophobicContact CB-CB 4.01Å; H341-P403 HydrophobicContact CB-CG 3.97Å; H341-P405 HydrophobicContact CB-CB 4.04Å; H341-P405 HydrophobicContact CB-CG 3.9Å
342	R	92.6	Very high	89.6	Confident	16 Å²	16	32.7 Å²	32.7	6%	0.06	19%	0.186	C	C	.	.	H	α-helix	trans	-61.5	-50.7	171.8	-62.9	172.5	-131.4	-80.3	7.7	110.4	D338 M339 I340 S345 H380 I384 D401 P403 R464	D338-R342 WeakPolarHBondContact O-CG 3.26Å; D338-R342 PolarHBondContact O-N 2.78Å; M339-R342 PolarHBondContact O-N 3.41Å; I340-R342 PolarHBondContact O-N 2.64Å; R342-S345 PolarHBondContact O-OG 2.61Å; R342-H380 HydrophobicContact CB-CB 4.17Å; R342-I384 HydrophobicContact CB-CD1 3.65Å; R342-I384 HydrophobicContact CB-CG1 3.74Å; R342-I384 HydrophobicContact CG-CG1 4.44Å; R342-D401 PolarHBondContact NH1-O 3.42Å; R342-D401 PolarHBondContact NH2-O 3.26Å; R342-P403 HydrophobicContact CG-CB 3.86Å; R342-R464 PolarHBondContact O-NH2 2.77Å
343	W	87.2	Confident	90.8	Very high	23 Å²	23	30.7 Å²	30.7	9%	0.087	18%	0.176	C	C	.	.	H	α-helix	trans	-59.6	-52.2	-177.1	-172.8	-108.7	0	0	0	111.8	W316 D319 Y320 M339 I340 F460 R464	W316-W343 AromaticContact CE3-CD1 3.49Å; W316-W343 VanDerWaalsContact CE3-CD1 3.49Å; W316-W343 AromaticContact CE3-NE1 3.41Å; W316-W343 AromaticContact CZ3-CD1 3.96Å; W316-W343 AromaticContact CZ3-NE1 3.5Å; D319-W343 PolarHBondContact OD2-NE1 2.96Å; Y320-W343 HydrophobicContact CD2-CB 4.37Å; Y320-W343 HydrophobicContact CD2-CD2 4.26Å; Y320-W343 HydrophobicContact CD2-CG 4.01Å; M339-W343 VanDerWaalsContact O-CB 3.31Å; M339-W343 WeakPolarHBondContact O-CB 3.36Å; M339-W343 PolarHBondContact O-N 3.21Å; I340-W343 PolarHBondContact O-N 3.03Å; W343-F460 HydrophobicContact CH2-CB 4.24Å; W343-F460 HydrophobicContact CH2-CD1 4.43Å; W343-R464 HydrophobicContact CH2-CB 4.17Å; W343-R464 HydrophobicContact CZ2-CB 4.39Å; W343-R464 WeakPolarHBondContact O-CD 3.39Å; W343-R464 PolarHBondContact O-NE 2.98Å
344	A	88.6	Confident	91.7	Very high	1 Å²	1	30 Å²	30	1%	0.008	17%	0.168	C	C	.	.	H	α-helix	trans	-67.2	-47.1	-175.2	0	0	0	0	0	112.3	W316 I340 V346	W316-A344 HydrophobicContact CB-CB 3.47Å; W316-A344 VanDerWaalsContact CB-CB 3.47Å; W316-A344 HydrophobicContact CD2-CB 4.22Å; W316-A344 HydrophobicContact CG-CB 3.48Å; W316-A344 VanDerWaalsContact CG-CB 3.48Å; I340-A344 WeakPolarHBondContact O-CB 3.18Å; I340-A344 PolarHBondContact O-N 3.17Å; A344-V346 HydrophobicContact CB-CG2 3.77Å; A344-V346 PolarHBondContact O-N 3.31Å
345	S	92.3	Very high	92.4	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.021	14%	0.14	C	C	.	.			trans	43.7	42.8	-176	-68.4	0	0	0	0	113.6	H341 R342 V347 P348 H380 R464	H341-S345 PolarHBondContact O-N 3.3Å; H341-S345 VanDerWaalsContact O-N 3.15Å; R342-S345 PolarHBondContact O-OG 2.61Å; S345-V347 CarbonylContact O-C 3.47Å; S345-V347 PolarHBondContact O-N 2.88Å; S345-P348 WeakPolarHBondContact O-CA 3.35Å; S345-P348 VanDerWaalsContact O-CD 3.27Å; S345-P348 WeakPolarHBondContact O-CD 3.5Å; S345-P348 VanDerWaalsContact O-N 3.17Å; S345-H380 WeakPolarHBondContact OG-CB 3.5Å; S345-H380 PolarHBondContact OG-ND1 3.12Å; S345-R464 PolarHBondContact OG-NH2 2.53Å
346	V	90.7	Very high	93.1	Very high	37 Å²	37	25.7 Å²	25.7	22%	0.224	13%	0.132	C	C	.	.	S	Bend	trans	-53.1	-35.9	-166.4	175.2	0	0	0	0	114.1	T309 L312 T313 A344 P348	T309-V346 HydrophobicContact CG2-CG1 4.32Å; L312-V346 HydrophobicContact CB-CG1 3.84Å; L312-V346 HydrophobicContact CB-CG2 4.03Å; L312-V346 HydrophobicContact CD1-CG1 3.88Å; T313-V346 WeakPolarHBondContact OG1-CG2 3.48Å; A344-V346 HydrophobicContact CB-CG2 3.77Å; A344-V346 PolarHBondContact O-N 3.31Å; V346-P348 VanDerWaalsContact O-CD 3.28Å; V346-P348 WeakPolarHBondContact O-CD 3.45Å
347	V	92.4	Very high	93.6	Very high	58 Å²	58	29.9 Å²	29.9	35%	0.352	15%	0.151	S	C	.	.	S	Bend	trans	-112.5	80.7	172.3	-176.2	0	0	0	0	107.1	T309 S345 L349	T309-V347 HydrophobicContact CG2-CG2 4.03Å; S345-V347 CarbonylContact O-C 3.47Å; S345-V347 PolarHBondContact O-N 2.88Å; V347-L349 VanDerWaalsContact C-N 3.3Å; V347-L349 WeakPolarHBondContact CG1-O 3.2Å; V347-L349 PolarHBondContact O-N 3.08Å
348	P	94	Very high	93.9	Very high	28 Å²	28	30.7 Å²	30.7	18%	0.182	16%	0.158	C	C	.	.			trans	-70.1	-29.3	-165	27	-35.8	0	0	0	112.7	F56 S345 V346 L376 Y377 I468	F56-P348 HydrophobicContact CD2-CG 4.44Å; F56-P348 HydrophobicContact CE2-CB 3.67Å; F56-P348 HydrophobicContact CE2-CG 3.94Å; F56-P348 HydrophobicContact CZ-CB 3.86Å; F56-P348 HydrophobicContact CZ-CG 4.29Å; S345-P348 WeakPolarHBondContact O-CA 3.35Å; S345-P348 VanDerWaalsContact O-CD 3.27Å; S345-P348 WeakPolarHBondContact O-CD 3.5Å; S345-P348 VanDerWaalsContact O-N 3.17Å; V346-P348 VanDerWaalsContact O-CD 3.28Å; V346-P348 WeakPolarHBondContact O-CD 3.45Å; P348-L376 PolarHBondContact O-N 3.07Å; P348-Y377 HydrophobicContact CB-CG 4.44Å; P348-Y377 PolarHBondContact O-N 3.41Å; P348-I468 HydrophobicContact CB-CG2 4.45Å; P348-I468 HydrophobicContact CG-CG2 4.3Å
349	L	95.1	Very high	94.2	Very high	33 Å²	33	29.4 Å²	29.4	17%	0.173	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-112.1	130.2	168.7	-59.3	-178.1	0	0	0	108.4	F56 F225 V347 I373 N375	F56-L349 HydrophobicContact CD2-CD1 4.1Å; F56-L349 HydrophobicContact CD2-CD2 4.47Å; F56-L349 HydrophobicContact CD2-CG 4.04Å; F56-L349 HydrophobicContact CE2-CD2 4.24Å; F56-L349 HydrophobicContact CE2-CG 4.11Å; F225-L349 HydrophobicContact CD2-CD1 4.39Å; F225-L349 HydrophobicContact CE2-CD1 3.94Å; V347-L349 VanDerWaalsContact C-N 3.3Å; V347-L349 WeakPolarHBondContact CG1-O 3.2Å; V347-L349 PolarHBondContact O-N 3.08Å; L349-I373 HydrophobicContact CB-CG2 4.06Å; L349-I373 HydrophobicContact CD2-CG2 4.26Å; L349-N375 HydrophobicContact CD2-CB 3.94Å
350	S	96	Very high	94.4	Very high	8 Å²	8	35.1 Å²	35.1	6%	0.056	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-57.8	151.5	174.9	69.9	0	0	0	0	110.8	Y374	S350-Y374 PolarHBondContact N-O 3.47Å; S350-Y374 WeakPolarHBondContact OG-CB 3.21Å; S350-Y374 PolarHBondContact OG-N 2.73Å
351	L	96	Very high	94.6	Very high	87 Å²	87	35 Å²	35	46%	0.455	17%	0.174	S	C	.	.	P	Polyproline II helix	trans	-51.3	142.6	164.1	-65.2	-176.8	0	0	0	110.7	R101 H353	R101-L351 PolarHBondContact NH1-O 3.23Å; L351-H353 PolarHBondContact O-CE1 3.33Å; L351-H353 VanDerWaalsContact O-CE1 3.26Å; L351-H353 PolarHBondContact O-N 3.03Å; L351-H353 PolarHBondContact O-ND1 2.75Å; L351-H353 VanDerWaalsContact O-ND1 3.17Å
352	P	97.5	Very high	94.3	Very high	6 Å²	6	39.3 Å²	39.3	4%	0.039	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-67.6	133.9	-168.3	27.9	-36.9	0	0	0	111.9	R101 Y102 M104 L224 I371 I373	R101-P352 WeakPolarHBondContact CD-O 3.34Å; R101-P352 PolarHBondContact NH1-O 3.1Å; Y102-P352 HydrophobicContact CD1-CB 4.05Å; Y102-P352 HydrophobicContact CD1-CG 3.93Å; Y102-P352 HydrophobicContact CG-CB 4.37Å; Y102-P352 PolarHBondContact N-O 2.96Å; M104-P352 HydrophobicContact CG-CG 3.98Å; M104-P352 HydrophobicContact SD-CG 3.62Å; L224-P352 HydrophobicContact CD1-CB 4.09Å; L224-P352 HydrophobicContact CD1-CG 4.15Å; L224-P352 HydrophobicContact CD2-CB 4.01Å; P352-I371 HydrophobicContact CB-CG2 3.83Å; P352-I373 HydrophobicContact CB-CD1 3.66Å
353	H	98.3	Very high	94.2	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.009	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	156.9	174.9	-61.1	87.8	0	0	0	110.6	V99 G100 R101 L351 I371 L372 Y374	V99-H353 HydrophobicContact CG1-CB 3.57Å; G100-H353 CarbonylContact O-C 3.55Å; G100-H353 WeakPolarHBondContact O-CA 3.25Å; G100-H353 VanDerWaalsContact O-CB 3.31Å; G100-H353 WeakPolarHBondContact O-CB 3.46Å; G100-H353 PolarHBondContact O-CD2 3.08Å; R101-H353 PolarHBondContact NH1-CD2 2.65Å; R101-H353 PolarHBondContact NH1-CE1 2.95Å; R101-H353 PolarHBondContact NH1-NE2 3.3Å; L351-H353 PolarHBondContact O-CE1 3.33Å; L351-H353 VanDerWaalsContact O-CE1 3.26Å; L351-H353 PolarHBondContact O-N 3.03Å; L351-H353 PolarHBondContact O-ND1 2.75Å; L351-H353 VanDerWaalsContact O-ND1 3.17Å; H353-I371 CarbonylContact O-C 3.54Å; H353-I371 VanDerWaalsContact O-CA 3.26Å; H353-I371 WeakPolarHBondContact O-CA 3.41Å; H353-L372 HydrophobicContact CB-CB 4.15Å; H353-L372 WeakPolarHBondContact CB-O 3.09Å; H353-L372 PolarHBondContact N-O 2.72Å; H353-L372 PolarHBondContact O-N 2.79Å; H353-Y374 AromaticContact CE1-CD2 3.63Å; H353-Y374 AromaticContact CE1-CE2 3.34Å; H353-Y374 WeakPolarHBondContact CE1-CE2 3.36Å; H353-Y374 AromaticContact ND1-CE2 3.71Å; H353-Y374 AromaticContact ND1-CZ 3.93Å; H353-Y374 AromaticContact NE2-CE2 3.92Å
354	I	97.8	Very high	94.5	Very high	35 Å²	35	47.7 Å²	47.7	18%	0.179	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	133.7	173.2	-171.5	60.3	0	0	0	109.7	G100 R101 Y102 R356 S369 S370	G100-I354 PolarHBondContact N-O 3.09Å; G100-I354 PolarHBondContact O-N 3.41Å; R101-I354 WeakPolarHBondContact O-CG2 3.43Å; Y102-I354 HydrophobicContact CD2-CD1 4.17Å; I354-R356 PolarHBondContact O-N 2.85Å; I354-S369 WeakPolarHBondContact CD1-O 3.09Å; I354-S370 WeakPolarHBondContact CD1-O 3.5Å
355	V	98.2	Very high	94.8	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	111.1	173.3	179	0	0	0	0	108.7	E357 F359 I366 P367 S369 S370 L372	V355-E357 WeakPolarHBondContact CG1-O 3.4Å; V355-F359 HydrophobicContact CB-CE1 4.48Å; V355-F359 HydrophobicContact CG1-CD1 4.01Å; V355-F359 HydrophobicContact CG1-CE1 3.73Å; V355-F359 HydrophobicContact CG2-CE1 4.03Å; V355-F359 HydrophobicContact CG2-CZ 4.44Å; V355-I366 HydrophobicContact CG1-CG2 4.32Å; V355-I366 HydrophobicContact CG2-CG2 3.8Å; V355-P367 WeakPolarHBondContact CG1-O 3.21Å; V355-S369 PolarHBondContact O-N 3.01Å; V355-S370 WeakPolarHBondContact CG2-O 3.24Å; V355-S370 PolarHBondContact N-O 2.82Å; V355-L372 HydrophobicContact CG2-CB 4.44Å
356	R	96.9	Very high	94.9	Very high	81 Å²	81	51.4 Å²	51.4	31%	0.306	25%	0.249	S	C	.	.	S	Bend	trans	-76.5	-37	-179.9	-63.4	174.4	177.9	156.3	-4.9	112.6	S97 K98 D120 I354 K368	S97-R356 WeakPolarHBondContact O-CD 3.38Å; S97-R356 PolarHBondContact O-NH1 2.8Å; K98-R356 WeakPolarHBondContact O-CB 3.32Å; K98-R356 PolarHBondContact O-N 3.04Å; D120-R356 IonicContact OD1-CZ 2.71Å; D120-R356 IonicContact OD1-NE 2.67Å; D120-R356 IonicContact OD1-NH2 3.17Å; D120-R356 PolarHBondContact OD1-NH2 2.9Å; D120-R356 IonicContact OD2-CZ 3.38Å; D120-R356 VanDerWaalsContact OD2-CZ 3.29Å; D120-R356 IonicContact OD2-NE 3.58Å; D120-R356 PolarHBondContact OD2-NE 2.92Å; D120-R356 IonicContact OD2-NH2 3.53Å; D120-R356 PolarHBondContact OD2-NH2 3Å; I354-R356 PolarHBondContact O-N 2.85Å; R356-K368 VanDerWaalsContact O-CD 3.25Å; R356-K368 WeakPolarHBondContact O-CD 3.31Å; R356-K368 WeakPolarHBondContact O-CE 3.22Å; R356-K368 WeakPolarHBondContact O-CG 3.25Å
357	E	96.8	Very high	95.2	Very high	102 Å²	102	50.8 Å²	50.8	48%	0.477	25%	0.246	S	C	.	.	S	Bend	trans	-138.7	137.7	-178.2	-172.3	-162.8	136	0	0	107.8	K98 V355 F359	K98-E357 HydrophobicContact CB-CB 4.3Å; K98-E357 HydrophobicContact CD-CB 4.29Å; K98-E357 WeakPolarHBondContact CE-OE1 3.18Å; K98-E357 HydrophobicContact CG-CB 4.21Å; K98-E357 IonicContact NZ-OE1 2.82Å; K98-E357 PolarHBondContact NZ-OE1 3Å; K98-E357 IonicContact NZ-OE2 3.37Å; V355-E357 WeakPolarHBondContact CG1-O 3.4Å; E357-F359 WeakPolarHBondContact O-CD1 3.37Å
358	S	96	Very high	95.3	Very high	32 Å²	32	54.4 Å²	54.4	22%	0.224	26%	0.257	C	S	.	.			trans	-60.4	145.7	177.5	-53.2	0	0	0	0	111.5	Y365 I366 K368	S358-Y365 VanDerWaalsContact CB-OH 3.22Å; S358-Y365 WeakPolarHBondContact CB-OH 3.44Å; S358-Y365 PolarHBondContact OG-OH 3.44Å; S358-I366 WeakPolarHBondContact CA-O 3.48Å; S358-I366 WeakPolarHBondContact CB-O 3.46Å; S358-K368 PolarHBondContact OG-N 3.13Å
359	F	96.6	Very high	95.4	Very high	10 Å²	10	56.9 Å²	56.9	4%	0.044	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	169.5	175.1	57.9	-94.4	0	0	0	111.2	N95 K98 V99 V355 E357 L361 I366 L372	N95-F359 HydrophobicContact CB-CD1 4.21Å; N95-F359 HydrophobicContact CB-CD2 4.2Å; N95-F359 HydrophobicContact CB-CE1 4.22Å; N95-F359 HydrophobicContact CB-CE2 4.22Å; N95-F359 HydrophobicContact CB-CG 4.21Å; N95-F359 HydrophobicContact CB-CZ 4.24Å; N95-F359 VanDerWaalsContact CG-CD2 3.49Å; N95-F359 VanDerWaalsContact OD1-CB 3.29Å; N95-F359 WeakPolarHBondContact OD1-CB 3.48Å; N95-F359 WeakPolarHBondContact OD1-CG 3.27Å; K98-F359 HydrophobicContact CB-CD1 4.05Å; K98-F359 HydrophobicContact CB-CE1 4.46Å; K98-F359 HydrophobicContact CD-CB 3.97Å; K98-F359 HydrophobicContact CD-CD1 4.24Å; K98-F359 HydrophobicContact CD-CG 4.48Å; V99-F359 HydrophobicContact CG2-CE1 3.93Å; V99-F359 HydrophobicContact CG2-CZ 4.12Å; V355-F359 HydrophobicContact CB-CE1 4.48Å; V355-F359 HydrophobicContact CG1-CD1 4.01Å; V355-F359 HydrophobicContact CG1-CE1 3.73Å; V355-F359 HydrophobicContact CG2-CE1 4.03Å; V355-F359 HydrophobicContact CG2-CZ 4.44Å; E357-F359 WeakPolarHBondContact O-CD1 3.37Å; F359-L361 HydrophobicContact CD2-CB 4.36Å; F359-L361 HydrophobicContact CE2-CB 4.11Å; F359-L361 HydrophobicContact CE2-CD1 4.31Å; F359-I366 HydrophobicContact CD2-CB 4.08Å; F359-I366 HydrophobicContact CD2-CG1 4.1Å; F359-I366 HydrophobicContact CE1-CB 4.49Å; F359-I366 HydrophobicContact CE1-CG2 4.02Å; F359-I366 HydrophobicContact CE2-CB 3.96Å; F359-I366 HydrophobicContact CE2-CG1 3.84Å; F359-I366 HydrophobicContact CE2-CG2 4.03Å; F359-I366 HydrophobicContact CG-CB 4.4Å; F359-I366 HydrophobicContact CZ-CB 4.17Å; F359-I366 HydrophobicContact CZ-CG1 4.41Å; F359-I366 HydrophobicContact CZ-CG2 3.74Å; F359-I366 PolarHBondContact N-O 3.04Å; F359-I366 WeakPolarHBondContact O-CB 3.38Å; F359-I366 PolarHBondContact O-N 3.49Å; F359-L372 HydrophobicContact CZ-CD2 4.43Å
360	K	94.9	Very high	95.5	Very high	163 Å²	163	55.3 Å²	55.3	71%	0.709	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	138.2	169.6	-69.9	-175.5	179.2	178.6	0	109	Y364	K360-Y364 WeakPolarHBondContact CA-O 3.23Å
361	L	94.7	Very high	95.7	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	111.6	172.6	-169.3	70.5	0	0	0	107.2	I69 L82 L87 E90 A91 F359 N363 Y364 I366	I69-L361 HydrophobicContact CD1-CD2 3.87Å; L82-L361 HydrophobicContact CD1-CD2 3.89Å; L82-L361 HydrophobicContact CD2-CD2 3.57Å; L82-L361 HydrophobicContact CG-CD2 4.41Å; L87-L361 HydrophobicContact CD2-CD2 3.98Å; L87-L361 HydrophobicContact CD2-CG 3.85Å; E90-L361 HydrophobicContact CB-CD1 3.8Å; E90-L361 HydrophobicContact CG-CD1 3.67Å; A91-L361 HydrophobicContact CB-CD1 3.98Å; A91-L361 HydrophobicContact CB-CD2 4.27Å; F359-L361 HydrophobicContact CD2-CB 4.36Å; F359-L361 HydrophobicContact CE2-CB 4.11Å; F359-L361 HydrophobicContact CE2-CD1 4.31Å; L361-N363 PolarHBondContact O-N 3.44Å; L361-Y364 PolarHBondContact N-O 2.95Å; L361-Y364 PolarHBondContact O-N 3.36Å; L361-I366 HydrophobicContact CB-CD1 4.01Å; L361-I366 HydrophobicContact CB-CG1 3.56Å; L361-I366 HydrophobicContact CD2-CD1 4.41Å; L361-I366 HydrophobicContact CD2-CG1 4.46Å
362	K	88.7	Confident	95.8	Very high	100 Å²	100	50.9 Å²	50.9	44%	0.435	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	-122.9	-161.2	-61.2	-171.5	177	-177.7	0	111.3	L87 E90	L87-K362 HydrophobicContact CD2-CD 3.68Å; L87-K362 HydrophobicContact CD2-CG 3.77Å; L87-K362 HydrophobicContact CG-CD 4.4Å; E90-K362 PolarHBondContact OE1-N 3.28Å
363	N	88.8	Confident	95.8	Very high	139 Å²	139	50.7 Å²	50.7	74%	0.743	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	-0.9	-179.1	-68.2	-28.6	0	0	0	113.9	L361	L361-N363 PolarHBondContact O-N 3.44Å
364	Y	94.6	Very high	95.8	Very high	76 Å²	76	50.7 Å²	50.7	30%	0.298	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	147.4	-172.9	-60	-70.7	0	0	0	112.1	K34 L35 P36 I69 K360 L361	K34-Y364 CarbonylContact O-C 3.49Å; K34-Y364 VanDerWaalsContact O-CA 3.31Å; K34-Y364 WeakPolarHBondContact O-CA 3.24Å; L35-Y364 WeakPolarHBondContact O-CD1 3.5Å; P36-Y364 VanDerWaalsContact CA-CD1 3.5Å; P36-Y364 HydrophobicContact CB-CD1 4.37Å; P36-Y364 HydrophobicContact CB-CG 4.23Å; P36-Y364 HydrophobicContact CG-CD1 4.49Å; P36-Y364 HydrophobicContact CG-CG 4.07Å; I69-Y364 HydrophobicContact CD1-CD2 4.24Å; I69-Y364 HydrophobicContact CG2-CD2 3.63Å; I69-Y364 HydrophobicContact CG2-CE2 3.46Å; I69-Y364 VanDerWaalsContact CG2-CE2 3.46Å; K360-Y364 WeakPolarHBondContact CA-O 3.23Å; L361-Y364 PolarHBondContact N-O 2.95Å; L361-Y364 PolarHBondContact O-N 3.36Å
365	Y	93.7	Very high	95.8	Very high	81 Å²	81	49 Å²	49	32%	0.318	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	127.1	171.5	177.1	-107	0	0	0	109.7	T33 K34 S358 P367	T33-Y365 HydrophobicContact CG2-CD1 3.85Å; T33-Y365 HydrophobicContact CG2-CE1 3.91Å; K34-Y365 PolarHBondContact O-N 2.91Å; S358-Y365 VanDerWaalsContact CB-OH 3.22Å; S358-Y365 WeakPolarHBondContact CB-OH 3.44Å; S358-Y365 PolarHBondContact OG-OH 3.44Å; Y365-P367 HydrophobicContact CD1-CB 4.39Å; Y365-P367 HydrophobicContact CE1-CB 3.78Å; Y365-P367 HydrophobicContact CE1-CG 4.49Å; Y365-P367 WeakPolarHBondContact O-CD 3.17Å
366	I	96.2	Very high	95.8	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	104.8	178.9	-53.9	-56.1	0	0	0	107.7	P36 I69 I80 V355 S358 F359 L361	P36-I366 HydrophobicContact CG-CD1 3.97Å; I69-I366 HydrophobicContact CD1-CD1 4.1Å; I80-I366 HydrophobicContact CD1-CB 4.46Å; I80-I366 HydrophobicContact CD1-CD1 3.78Å; I80-I366 HydrophobicContact CD1-CG2 3.78Å; I80-I366 HydrophobicContact CG2-CD1 4.32Å; V355-I366 HydrophobicContact CG1-CG2 4.32Å; V355-I366 HydrophobicContact CG2-CG2 3.8Å; S358-I366 WeakPolarHBondContact CA-O 3.48Å; S358-I366 WeakPolarHBondContact CB-O 3.46Å; F359-I366 HydrophobicContact CD2-CB 4.08Å; F359-I366 HydrophobicContact CD2-CG1 4.1Å; F359-I366 HydrophobicContact CE1-CB 4.49Å; F359-I366 HydrophobicContact CE1-CG2 4.02Å; F359-I366 HydrophobicContact CE2-CB 3.96Å; F359-I366 HydrophobicContact CE2-CG1 3.84Å; F359-I366 HydrophobicContact CE2-CG2 4.03Å; F359-I366 HydrophobicContact CG-CB 4.4Å; F359-I366 HydrophobicContact CZ-CB 4.17Å; F359-I366 HydrophobicContact CZ-CG1 4.41Å; F359-I366 HydrophobicContact CZ-CG2 3.74Å; F359-I366 PolarHBondContact N-O 3.04Å; F359-I366 WeakPolarHBondContact O-CB 3.38Å; F359-I366 PolarHBondContact O-N 3.49Å; L361-I366 HydrophobicContact CB-CD1 4.01Å; L361-I366 HydrophobicContact CB-CG1 3.56Å; L361-I366 HydrophobicContact CD2-CD1 4.41Å; L361-I366 HydrophobicContact CD2-CG1 4.46Å
367	P	95.1	Very high	95.8	Very high	25 Å²	25	45.6 Å²	45.6	16%	0.162	22%	0.22	C	C	.	.			trans	-74.7	147.9	-174.8	22.3	-25.5	0	0	0	112.4	L35 T78 V355 Y365 S370	L35-P367 HydrophobicContact CD2-CG 3.8Å; T78-P367 HydrophobicContact CG2-CG 4.48Å; V355-P367 WeakPolarHBondContact CG1-O 3.21Å; Y365-P367 HydrophobicContact CD1-CB 4.39Å; Y365-P367 HydrophobicContact CE1-CB 3.78Å; Y365-P367 HydrophobicContact CE1-CG 4.49Å; Y365-P367 WeakPolarHBondContact O-CD 3.17Å; P367-S370 WeakPolarHBondContact CD-OG 3.19Å; P367-S370 VanDerWaalsContact CG-OG 3.27Å; P367-S370 WeakPolarHBondContact CG-OG 3.27Å; P367-S370 WeakPolarHBondContact O-CB 3.02Å; P367-S370 PolarHBondContact O-N 3.33Å; P367-S370 PolarHBondContact O-OG 2.72Å
368	K	96.1	Very high	95.7	Very high	133 Å²	133	41.3 Å²	41.3	58%	0.578	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.2	144.8	164.2	178.4	172.5	-179.9	177.6	0	111.2	R356 S358 S370	R356-K368 VanDerWaalsContact O-CD 3.25Å; R356-K368 WeakPolarHBondContact O-CD 3.31Å; R356-K368 WeakPolarHBondContact O-CE 3.22Å; R356-K368 WeakPolarHBondContact O-CG 3.25Å; S358-K368 PolarHBondContact OG-N 3.13Å; K368-S370 PolarHBondContact O-N 2.91Å
369	S	96	Very high	95.8	Very high	80 Å²	80	39.9 Å²	39.9	56%	0.559	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.9	2.9	-176.9	-51.1	0	0	0	0	115.3	I354 V355	I354-S369 WeakPolarHBondContact CD1-O 3.09Å; V355-S369 PolarHBondContact O-N 3.01Å
370	S	97.7	Very high	95.7	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.007	19%	0.19	C	C	.	.			trans	-64	142.5	167.8	-63	0	0	0	0	111.6	T78 I354 V355 P367 K368	T78-S370 CarbonylContact O-C 3.39Å; T78-S370 WeakPolarHBondContact O-CA 3.34Å; I354-S370 WeakPolarHBondContact CD1-O 3.5Å; V355-S370 WeakPolarHBondContact CG2-O 3.24Å; V355-S370 PolarHBondContact N-O 2.82Å; P367-S370 WeakPolarHBondContact CD-OG 3.19Å; P367-S370 VanDerWaalsContact CG-OG 3.27Å; P367-S370 WeakPolarHBondContact CG-OG 3.27Å; P367-S370 WeakPolarHBondContact O-CB 3.02Å; P367-S370 PolarHBondContact O-N 3.33Å; P367-S370 PolarHBondContact O-OG 2.72Å; K368-S370 PolarHBondContact O-N 2.91Å
371	I	98.2	Very high	95.6	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	122.5	168.8	-58.2	175.7	0	0	0	108	K77 T78 I79 I80 Y102 L224 L230 P352 H353 I373	K77-I371 HydrophobicContact CB-CD1 4.18Å; K77-I371 HydrophobicContact CD-CD1 3.92Å; K77-I371 HydrophobicContact CG-CD1 4.43Å; T78-I371 PolarHBondContact O-N 3.19Å; I79-I371 CarbonylContact C-O 3.58Å; I79-I371 WeakPolarHBondContact CA-O 3.48Å; I79-I371 HydrophobicContact CG1-CB 4.3Å; I80-I371 PolarHBondContact N-O 3.29Å; Y102-I371 HydrophobicContact CD1-CD1 4.08Å; Y102-I371 HydrophobicContact CD2-CD1 3.81Å; Y102-I371 HydrophobicContact CD2-CG1 3.76Å; Y102-I371 HydrophobicContact CE1-CD1 3.85Å; Y102-I371 HydrophobicContact CE2-CD1 3.56Å; Y102-I371 HydrophobicContact CE2-CG1 3.95Å; Y102-I371 HydrophobicContact CG-CD1 4.06Å; Y102-I371 HydrophobicContact CG-CG1 4.08Å; Y102-I371 HydrophobicContact CG-CG2 4.48Å; L224-I371 HydrophobicContact CD2-CG2 4.2Å; L230-I371 HydrophobicContact CD2-CD1 4.18Å; P352-I371 HydrophobicContact CB-CG2 3.83Å; H353-I371 CarbonylContact O-C 3.54Å; H353-I371 VanDerWaalsContact O-CA 3.26Å; H353-I371 WeakPolarHBondContact O-CA 3.41Å; I371-I373 HydrophobicContact CG2-CD1 3.89Å; I371-I373 HydrophobicContact CG2-CG1 4.45Å
372	L	98.2	Very high	95.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.2	-178.9	-170.9	67.5	0	0	0	110.6	I80 L82 A91 H353 V355 F359 Y374	I80-L372 HydrophobicContact CB-CD1 3.82Å; I80-L372 HydrophobicContact CG2-CD1 3.69Å; I80-L372 WeakPolarHBondContact O-CA 3.42Å; L82-L372 HydrophobicContact CD1-CD1 3.89Å; L82-L372 HydrophobicContact CD1-CD2 4.21Å; L82-L372 HydrophobicContact CD1-CG 4.25Å; L82-L372 HydrophobicContact CD2-CD1 3.92Å; L82-L372 HydrophobicContact CG-CD1 3.73Å; L82-L372 HydrophobicContact CG-CG 4.42Å; A91-L372 HydrophobicContact CB-CD2 3.82Å; H353-L372 HydrophobicContact CB-CB 4.15Å; H353-L372 WeakPolarHBondContact CB-O 3.09Å; H353-L372 PolarHBondContact N-O 2.72Å; H353-L372 PolarHBondContact O-N 2.79Å; V355-L372 HydrophobicContact CG2-CB 4.44Å; F359-L372 HydrophobicContact CZ-CD2 4.43Å; L372-Y374 HydrophobicContact CD2-CE1 3.56Å; L372-Y374 HydrophobicContact CG-CD1 4.31Å; L372-Y374 HydrophobicContact CG-CE1 3.77Å
373	I	98.4	Very high	95.7	Very high	2 Å²	2	32 Å²	32	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	125.5	-179.9	-51.1	-58	0	0	0	109.4	I79 I80 I81 L82 L224 L349 P352 I371	I79-I373 HydrophobicContact CG2-CG1 4.26Å; I80-I373 PolarHBondContact O-N 2.79Å; I81-I373 WeakPolarHBondContact CA-O 3.29Å; I81-I373 HydrophobicContact CG1-CB 4.29Å; I81-I373 HydrophobicContact CG2-CB 4.48Å; L82-I373 PolarHBondContact N-O 2.85Å; L224-I373 HydrophobicContact CD2-CD1 3.38Å; L224-I373 HydrophobicContact CD2-CG1 4Å; L349-I373 HydrophobicContact CB-CG2 4.06Å; L349-I373 HydrophobicContact CD2-CG2 4.26Å; P352-I373 HydrophobicContact CB-CD1 3.66Å; I371-I373 HydrophobicContact CG2-CD1 3.89Å; I371-I373 HydrophobicContact CG2-CG1 4.45Å
374	Y	98.3	Very high	95.7	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.008	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	117.7	170.8	-49.7	-29.9	0	0	0	108.1	L82 I88 A91 A92 S350 H353 L372 L376 S407	L82-Y374 HydrophobicContact CD1-CD1 3.88Å; L82-Y374 HydrophobicContact CD1-CE1 3.84Å; L82-Y374 HydrophobicContact CG-CD1 4.36Å; I88-Y374 HydrophobicContact CB-CD1 4.4Å; I88-Y374 HydrophobicContact CB-CG 4.41Å; I88-Y374 HydrophobicContact CG1-CD1 3.93Å; I88-Y374 HydrophobicContact CG1-CG 4.01Å; I88-Y374 HydrophobicContact CG2-CD1 4.03Å; I88-Y374 HydrophobicContact CG2-CD2 3.79Å; I88-Y374 HydrophobicContact CG2-CE1 4.44Å; I88-Y374 HydrophobicContact CG2-CE2 4.24Å; I88-Y374 HydrophobicContact CG2-CG 3.68Å; A91-Y374 HydrophobicContact CB-CE1 4.18Å; A92-Y374 WeakPolarHBondContact CA-OH 3.45Å; A92-Y374 HydrophobicContact CB-CE2 4.01Å; S350-Y374 PolarHBondContact N-O 3.47Å; S350-Y374 WeakPolarHBondContact OG-CB 3.21Å; S350-Y374 PolarHBondContact OG-N 2.73Å; H353-Y374 AromaticContact CE1-CD2 3.63Å; H353-Y374 AromaticContact CE1-CE2 3.34Å; H353-Y374 WeakPolarHBondContact CE1-CE2 3.36Å; H353-Y374 AromaticContact ND1-CE2 3.71Å; H353-Y374 AromaticContact ND1-CZ 3.93Å; H353-Y374 AromaticContact NE2-CE2 3.92Å; L372-Y374 HydrophobicContact CD2-CE1 3.56Å; L372-Y374 HydrophobicContact CG-CD1 4.31Å; L372-Y374 HydrophobicContact CG-CE1 3.77Å; Y374-L376 PolarHBondContact O-N 3.42Å; Y374-S407 WeakPolarHBondContact CD2-OG 3.27Å
375	N	98.1	Very high	95.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-86	86.4	176	-171.1	-19.4	0	0	0	109.1	Q60 I81 L82 Y83 L349 Y377 A378 V379	Q60-N375 PolarHBondContact NE2-ND2 2.96Å; Q60-N375 VanDerWaalsContact NE2-ND2 3.17Å; Q60-N375 PolarHBondContact OE1-ND2 3.49Å; I81-N375 HydrophobicContact CG2-CB 4.1Å; L82-N375 WeakPolarHBondContact O-CB 3.46Å; L82-N375 PolarHBondContact O-N 3.39Å; Y83-N375 HydrophobicContact CD1-CB 3.92Å; Y83-N375 WeakPolarHBondContact CD1-ND2 3.37Å; Y83-N375 HydrophobicContact CE1-CB 4.31Å; Y83-N375 WeakPolarHBondContact CE1-ND2 3.42Å; Y83-N375 HydrophobicContact CG-CB 4.4Å; L349-N375 HydrophobicContact CD2-CB 3.94Å; N375-Y377 VanDerWaalsContact C-N 3.28Å; N375-Y377 PolarHBondContact O-N 3.24Å; N375-Y377 PolarHBondContact OD1-N 2.83Å; N375-A378 HydrophobicContact CB-CB 4.05Å; N375-A378 PolarHBondContact O-N 3.34Å; N375-A378 PolarHBondContact OD1-N 2.92Å; N375-V379 PolarHBondContact O-N 3.04Å
376	L	97.9	Very high	95	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-65.9	-34.4	-178.3	-50.3	-176.8	0	0	0	110.9	P348 Y374 A378 V379 H380 I404	P348-L376 PolarHBondContact O-N 3.07Å; Y374-L376 PolarHBondContact O-N 3.42Å; L376-A378 PolarHBondContact O-N 3.19Å; L376-V379 WeakPolarHBondContact O-CB 3.36Å; L376-V379 PolarHBondContact O-N 3.31Å; L376-H380 WeakPolarHBondContact O-CB 3.33Å; L376-H380 PolarHBondContact O-N 3.23Å; L376-H380 PolarHBondContact O-ND1 3.08Å; L376-I404 HydrophobicContact CD2-CD1 3.6Å; L376-I404 HydrophobicContact CD2-CG1 3.97Å
377	Y	95.8	Very high	94.4	Very high	8 Å²	8	31.1 Å²	31.1	3%	0.031	17%	0.165	C	C	.	.	H	α-helix	trans	-59.8	-44.3	174	173.2	-102.2	0	0	0	112.5	F56 Q60 P348 N375 V379 H380 N381 F465 I468	F56-Y377 HydrophobicContact CE1-CD1 4.42Å; F56-Y377 HydrophobicContact CE1-CE1 4.49Å; F56-Y377 HydrophobicContact CE2-CD1 4.47Å; F56-Y377 AromaticContact CZ-CD1 3.64Å; F56-Y377 HydrophobicContact CZ-CD1 3.64Å; F56-Y377 HydrophobicContact CZ-CD2 4.34Å; F56-Y377 HydrophobicContact CZ-CE1 4.14Å; F56-Y377 AromaticContact CZ-CG 3.74Å; F56-Y377 HydrophobicContact CZ-CG 3.74Å; Q60-Y377 HydrophobicContact CG-CD1 4.31Å; Q60-Y377 HydrophobicContact CG-CE1 4.23Å; P348-Y377 HydrophobicContact CB-CG 4.44Å; P348-Y377 PolarHBondContact O-N 3.41Å; N375-Y377 VanDerWaalsContact C-N 3.28Å; N375-Y377 PolarHBondContact O-N 3.24Å; N375-Y377 PolarHBondContact OD1-N 2.83Å; Y377-V379 VanDerWaalsContact C-N 3.34Å; Y377-V379 PolarHBondContact O-N 3.22Å; Y377-H380 PolarHBondContact O-N 3.34Å; Y377-N381 WeakPolarHBondContact CE1-ND2 3.3Å; Y377-N381 WeakPolarHBondContact CE2-OD1 3.47Å; Y377-N381 VanDerWaalsContact O-CB 3.27Å; Y377-N381 WeakPolarHBondContact O-CB 3.32Å; Y377-N381 PolarHBondContact O-N 3.22Å; Y377-N381 PolarHBondContact OH-ND2 3.13Å; Y377-F465 HydrophobicContact CE1-CD2 4.02Å; Y377-F465 HydrophobicContact CE1-CE2 4.43Å; Y377-F465 AromaticContact CZ-CD2 3.85Å; Y377-F465 WeakPolarHBondContact OH-CD2 3.47Å; Y377-I468 HydrophobicContact CD2-CD1 3.59Å; Y377-I468 HydrophobicContact CE2-CD1 3.31Å
378	A	96.1	Very high	93.7	Very high	12 Å²	12	34 Å²	34	10%	0.099	18%	0.178	C	C	.	.	H	α-helix	trans	-62.6	-40.8	176.7	0	0	0	0	0	111.9	Y83 N375 L376 N381 S382	Y83-A378 HydrophobicContact CD1-CB 3.81Å; Y83-A378 HydrophobicContact CG-CB 4.41Å; Y83-A378 WeakPolarHBondContact O-CB 3.02Å; N375-A378 HydrophobicContact CB-CB 4.05Å; N375-A378 PolarHBondContact O-N 3.34Å; N375-A378 PolarHBondContact OD1-N 2.92Å; L376-A378 PolarHBondContact O-N 3.19Å; A378-N381 PolarHBondContact O-N 3.29Å; A378-S382 WeakPolarHBondContact O-CB 3.31Å; A378-S382 PolarHBondContact O-N 2.78Å
379	V	97	Very high	92.8	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.018	18%	0.184	C	C	.	.	H	α-helix	trans	-60.5	-53.9	173.4	176.4	0	0	0	0	111.1	Y85 I88 N375 L376 Y377 N381 S382 Q383 I404	Y85-V379 HydrophobicContact CD2-CG1 4.41Å; I88-V379 HydrophobicContact CD1-CG2 3.57Å; N375-V379 PolarHBondContact O-N 3.04Å; L376-V379 WeakPolarHBondContact O-CB 3.36Å; L376-V379 PolarHBondContact O-N 3.31Å; Y377-V379 VanDerWaalsContact C-N 3.34Å; Y377-V379 PolarHBondContact O-N 3.22Å; V379-N381 VanDerWaalsContact C-N 3.29Å; V379-N381 PolarHBondContact O-N 2.65Å; V379-S382 WeakPolarHBondContact O-CB 3.33Å; V379-S382 PolarHBondContact O-N 2.66Å; V379-S382 VanDerWaalsContact O-N 3.13Å; V379-Q383 HydrophobicContact CG1-CG 4.5Å; V379-Q383 WeakPolarHBondContact O-CG 3.23Å; V379-Q383 PolarHBondContact O-N 3.41Å; V379-I404 HydrophobicContact CB-CD1 4.36Å; V379-I404 HydrophobicContact CG1-CD1 4.1Å; V379-I404 HydrophobicContact CG1-CG1 4.13Å; V379-I404 HydrophobicContact CG2-CD1 4.21Å
380	H	95.6	Very high	91.6	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-60.9	-37.8	-179.3	-62.9	160.1	0	0	0	112.4	R342 S345 L376 Y377 Q383 I384 I404	R342-H380 HydrophobicContact CB-CB 4.17Å; S345-H380 WeakPolarHBondContact OG-CB 3.5Å; S345-H380 PolarHBondContact OG-ND1 3.12Å; L376-H380 WeakPolarHBondContact O-CB 3.33Å; L376-H380 PolarHBondContact O-N 3.23Å; L376-H380 PolarHBondContact O-ND1 3.08Å; Y377-H380 PolarHBondContact O-N 3.34Å; H380-Q383 PolarHBondContact O-N 3.2Å; H380-I384 WeakPolarHBondContact O-CG1 3.45Å; H380-I384 PolarHBondContact O-N 3.16Å; H380-I404 PolarHBondContact NE2-N 2.9Å; H380-I404 VanDerWaalsContact NE2-N 3.11Å
381	N	92.3	Very high	89.6	Confident	19 Å²	19	41.4 Å²	41.4	10%	0.102	21%	0.214	C	C	.	.	H	α-helix	trans	-63.6	-44.4	173.7	-86.5	3.4	0	0	0	112.8	Y377 A378 V379 Q383 I384 K385 R464	Y377-N381 WeakPolarHBondContact CE1-ND2 3.3Å; Y377-N381 WeakPolarHBondContact CE2-OD1 3.47Å; Y377-N381 VanDerWaalsContact O-CB 3.27Å; Y377-N381 WeakPolarHBondContact O-CB 3.32Å; Y377-N381 PolarHBondContact O-N 3.22Å; Y377-N381 PolarHBondContact OH-ND2 3.13Å; A378-N381 PolarHBondContact O-N 3.29Å; V379-N381 VanDerWaalsContact C-N 3.29Å; V379-N381 PolarHBondContact O-N 2.65Å; N381-Q383 VanDerWaalsContact C-N 3.3Å; N381-I384 PolarHBondContact O-N 2.94Å; N381-K385 WeakPolarHBondContact O-CB 3.48Å; N381-K385 WeakPolarHBondContact O-CG 3.25Å; N381-K385 PolarHBondContact O-N 3.4Å; N381-R464 VanDerWaalsContact OD1-CZ 3.25Å; N381-R464 PolarHBondContact OD1-NH1 2.98Å; N381-R464 PolarHBondContact OD1-NH2 2.91Å
382	S	92.1	Very high	87.4	Confident	76 Å²	76	50.5 Å²	50.5	53%	0.531	26%	0.257	S	S	.	.	H	α-helix	trans	-61.3	-43.7	177.1	-170.7	0	0	0	0	110.6	A378 V379 K385 K386	A378-S382 WeakPolarHBondContact O-CB 3.31Å; A378-S382 PolarHBondContact O-N 2.78Å; V379-S382 WeakPolarHBondContact O-CB 3.33Å; V379-S382 PolarHBondContact O-N 2.66Å; V379-S382 VanDerWaalsContact O-N 3.13Å; S382-K385 PolarHBondContact O-N 2.55Å; S382-K386 WeakPolarHBondContact O-CB 3.33Å; S382-K386 PolarHBondContact O-N 3.13Å
383	Q	92.3	Very high	85	Confident	10 Å²	10	56.8 Å²	56.8	5%	0.047	29%	0.29	C	S	.	.	H	α-helix	trans	-61.9	-45.8	175.6	-68.5	171	-15.4	0	0	112.3	V379 H380 N381 K385 K386 L387 S400 K402	V379-Q383 HydrophobicContact CG1-CG 4.5Å; V379-Q383 WeakPolarHBondContact O-CG 3.23Å; V379-Q383 PolarHBondContact O-N 3.41Å; H380-Q383 PolarHBondContact O-N 3.2Å; N381-Q383 VanDerWaalsContact C-N 3.3Å; Q383-K385 PolarHBondContact O-N 3.34Å; Q383-K386 WeakPolarHBondContact O-CB 3.3Å; Q383-K386 PolarHBondContact O-N 2.74Å; Q383-L387 WeakPolarHBondContact O-CG 3.31Å; Q383-L387 PolarHBondContact O-N 3.46Å; Q383-S400 PolarHBondContact NE2-O 2.75Å; Q383-K402 PolarHBondContact NE2-O 2.88Å
384	I	88.9	Confident	82.8	Confident	8 Å²	8	62.5 Å²	62.5	4%	0.041	33%	0.331	C	S	.	.	H	α-helix	trans	-60.1	-46.4	175.6	-74	164.2	0	0	0	110.9	M339 R342 H380 N381 K386 L387 I388	M339-I384 HydrophobicContact SD-CG1 4.47Å; R342-I384 HydrophobicContact CB-CD1 3.65Å; R342-I384 HydrophobicContact CB-CG1 3.74Å; R342-I384 HydrophobicContact CG-CG1 4.44Å; H380-I384 WeakPolarHBondContact O-CG1 3.45Å; H380-I384 PolarHBondContact O-N 3.16Å; N381-I384 PolarHBondContact O-N 2.94Å; I384-K386 VanDerWaalsContact C-N 3.31Å; I384-K386 PolarHBondContact O-N 3.36Å; I384-L387 PolarHBondContact O-N 3.26Å; I384-I388 HydrophobicContact CG2-CD1 3.6Å; I384-I388 HydrophobicContact CG2-CG1 4.37Å; I384-I388 VanDerWaalsContact O-CG1 3.26Å; I384-I388 WeakPolarHBondContact O-CG1 3.32Å; I384-I388 PolarHBondContact O-N 2.86Å
385	K	88.3	Confident	81	Confident	99 Å²	99	69 Å²	69	43%	0.43	37%	0.366	S	S	.	.	H	α-helix	trans	-60.4	-41.2	177.3	-73.8	175.3	-179.5	-178.3	0	111.9	N381 S382 Q383 I388 N389 I461	N381-K385 WeakPolarHBondContact O-CB 3.48Å; N381-K385 WeakPolarHBondContact O-CG 3.25Å; N381-K385 PolarHBondContact O-N 3.4Å; S382-K385 PolarHBondContact O-N 2.55Å; Q383-K385 PolarHBondContact O-N 3.34Å; K385-I388 PolarHBondContact O-N 2.88Å; K385-N389 WeakPolarHBondContact O-CB 3.44Å; K385-N389 PolarHBondContact O-N 2.97Å; K385-N389 PolarHBondContact O-ND2 3.38Å; K385-I461 HydrophobicContact CG-CD1 4.28Å
386	K	86.6	Confident	79.5	Confident	91 Å²	91	77.5 Å²	77.5	40%	0.396	41%	0.405	S	S	.	.	H	α-helix	trans	-58.6	-53.2	174.9	-175.9	-179.8	172.6	-173.4	0	110.2	S382 Q383 I384 I388 N389 T390 D401	S382-K386 WeakPolarHBondContact O-CB 3.33Å; S382-K386 PolarHBondContact O-N 3.13Å; Q383-K386 WeakPolarHBondContact O-CB 3.3Å; Q383-K386 PolarHBondContact O-N 2.74Å; I384-K386 VanDerWaalsContact C-N 3.31Å; I384-K386 PolarHBondContact O-N 3.36Å; K386-I388 VanDerWaalsContact C-N 3.28Å; K386-I388 PolarHBondContact O-N 3.49Å; K386-N389 PolarHBondContact O-N 3.06Å; K386-N389 VanDerWaalsContact O-N 3.1Å; K386-T390 HydrophobicContact CG-CG2 4.45Å; K386-T390 PolarHBondContact O-N 3.37Å; K386-T390 PolarHBondContact O-OG1 3.01Å; K386-D401 IonicContact NZ-OD1 3.82Å; K386-D401 PolarHBondContact NZ-OD1 3.45Å; K386-D401 IonicContact NZ-OD2 2.83Å; K386-D401 PolarHBondContact NZ-OD2 3.41Å
387	L	83.5	Confident	78.1	Confident	80 Å²	80	82.8 Å²	82.8	42%	0.419	43%	0.432	S	S	.	.	H	α-helix	trans	-59.8	-34.3	-179.1	-69.8	171.4	0	0	0	113.6	M339 Q383 I384	M339-L387 HydrophobicContact CE-CD1 3.61Å; Q383-L387 WeakPolarHBondContact O-CG 3.31Å; Q383-L387 PolarHBondContact O-N 3.46Å; I384-L387 PolarHBondContact O-N 3.26Å
388	I	80.4	Confident	77.3	Confident	87 Å²	87	88 Å²	88	45%	0.446	46%	0.457	S	S	.	.	H	α-helix	trans	-73.6	-36.7	177.2	-68.7	171.7	0	0	0	111.6	I384 K385 K386 A457	I384-I388 HydrophobicContact CG2-CD1 3.6Å; I384-I388 HydrophobicContact CG2-CG1 4.37Å; I384-I388 VanDerWaalsContact O-CG1 3.26Å; I384-I388 WeakPolarHBondContact O-CG1 3.32Å; I384-I388 PolarHBondContact O-N 2.86Å; K385-I388 PolarHBondContact O-N 2.88Å; K386-I388 VanDerWaalsContact C-N 3.28Å; K386-I388 PolarHBondContact O-N 3.49Å; I388-A457 HydrophobicContact CD1-CB 3.5Å; I388-A457 HydrophobicContact CG1-CB 4.49Å; I388-A457 HydrophobicContact CG2-CB 3.8Å
389	N	77.1	Confident	76.6	Confident	130 Å²	130	92.8 Å²	92.8	70%	0.695	48%	0.477	S	S	*	.	H	α-helix	trans	-85.2	-26.8	-176.3	-69.2	-15.5	0	0	0	113.3	K385 K386 E391	K385-N389 WeakPolarHBondContact O-CB 3.44Å; K385-N389 PolarHBondContact O-N 2.97Å; K385-N389 PolarHBondContact O-ND2 3.38Å; K386-N389 PolarHBondContact O-N 3.06Å; K386-N389 VanDerWaalsContact O-N 3.1Å; N389-E391 PolarHBondContact O-N 3.17Å
390	T	70.5	Confident	76	Confident	64 Å²	64	94 Å²	94	39%	0.393	49%	0.486	S	S	.	.	S	Bend	trans	-78.3	104.6	170.7	45.4	0	0	0	0	109.1	K386 Q392	K386-T390 HydrophobicContact CG-CG2 4.45Å; K386-T390 PolarHBondContact O-N 3.37Å; K386-T390 PolarHBondContact O-OG1 3.01Å; T390-Q392 PolarHBondContact O-N 3.11Å
391	E	55.9	Low	75.5	Confident	174 Å²	174	95.4 Å²	95.4	81%	0.813	49%	0.494	S	S	*	.			trans	-62.5	94	156	-68.4	-164.4	157.4	0	0	107.2	N389 N393	N389-E391 PolarHBondContact O-N 3.17Å; E391-N393 VanDerWaalsContact C-N 3.3Å; E391-N393 PolarHBondContact O-N 3.34Å
392	Q	51.4	Low	75.5	Confident	192 Å²	192	98.7 Å²	98.7	90%	0.897	51%	0.507	S	S	*	.			trans	16.5	62.6	169.1	-67.2	-176	-26.7	0	0	115.9	T390	T390-Q392 PolarHBondContact O-N 3.11Å
393	N	48.9	Very low	75.6	Confident	132 Å²	132	95.7 Å²	95.7	71%	0.706	49%	0.486	S	S	*	.			trans	-88.1	122.6	163.2	-92.5	-21.2	0	0	0	107.2	E391 D395	E391-N393 VanDerWaalsContact C-N 3.3Å; E391-N393 PolarHBondContact O-N 3.34Å; N393-D395 PolarHBondContact O-N 3.31Å
394	S	52.2	Low	75.9	Confident	122 Å²	122	95.7 Å²	95.7	85%	0.853	49%	0.486	S	S	*	.			trans	-67.5	40.2	-174.6	58.5	0	0	0	0	114.1
395	D	59.1	Low	76.3	Confident	139 Å²	139	96.9 Å²	96.9	74%	0.743	49%	0.494	S	S	*	.			trans	-70.9	135	169.3	-69.6	-26.1	0	0	0	108.3	N393 I397	N393-D395 PolarHBondContact O-N 3.31Å; D395-I397 PolarHBondContact O-N 2.68Å
396	E	67	Low	76.7	Confident	178 Å²	178	94.3 Å²	94.3	83%	0.832	48%	0.483	S	S	*	.			trans	-48.2	126.7	177.3	-69.7	180	166	0	0	110.3	Q398	E396-Q398 PolarHBondContact O-N 2.84Å
397	I	68.6	Low	77.2	Confident	113 Å²	113	90.8 Å²	90.8	58%	0.579	47%	0.47	S	S	*	.			trans	-55.9	113.6	176.8	-62.8	175	0	0	0	108	D395 D401	D395-I397 PolarHBondContact O-N 2.68Å; I397-D401 HydrophobicContact CG2-CB 3.97Å
398	Q	79.7	Confident	77.8	Confident	118 Å²	118	88.3 Å²	88.3	55%	0.551	46%	0.457	S	S	*	.			trans	-76.9	156.8	178.3	-62.8	-177	-1.7	0	0	110	E396 S400 D401	E396-Q398 PolarHBondContact O-N 2.84Å; Q398-S400 PolarHBondContact O-N 2.99Å; Q398-S400 VanDerWaalsContact O-N 3.16Å; Q398-D401 PolarHBondContact N-OD2 3.47Å; Q398-D401 WeakPolarHBondContact O-CA 3.12Å; Q398-D401 VanDerWaalsContact O-CB 3.3Å; Q398-D401 WeakPolarHBondContact O-CB 2.78Å; Q398-D401 PolarHBondContact O-N 3.34Å
399	E	80.7	Confident	78.6	Confident	112 Å²	112	84.6 Å²	84.6	52%	0.523	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-59.9	-28.5	175.7	-171.4	62.7	-161.4	0	0	112.1	Y85 D401 K402	Y85-E399 WeakPolarHBondContact OH-CG 3.37Å; Y85-E399 PolarHBondContact OH-O 3.43Å; E399-D401 PolarHBondContact O-N 2.93Å; E399-K402 PolarHBondContact O-N 3.19Å; E399-K402 WeakPolarHBondContact OE2-CD 3.47Å; E399-K402 WeakPolarHBondContact OE2-CE 3.45Å; E399-K402 IonicContact OE2-NZ 3.65Å; E399-K402 PolarHBondContact OE2-NZ 2.86Å
400	S	84.8	Confident	79.4	Confident	29 Å²	29	80.1 Å²	80.1	20%	0.203	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-67.9	-18.8	172	55.5	0	0	0	0	114.2	Y85 Q383 Q398	Y85-S400 VanDerWaalsContact CD1-CB 3.49Å; Q383-S400 PolarHBondContact NE2-O 2.75Å; Q398-S400 PolarHBondContact O-N 2.99Å; Q398-S400 VanDerWaalsContact O-N 3.16Å
401	D	85.3	Confident	80.5	Confident	31 Å²	31	77.3 Å²	77.3	17%	0.166	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-87.8	-5.2	176.3	-63.7	-38.8	0	0	0	112.2	R342 K386 I397 Q398 E399	R342-D401 PolarHBondContact NH1-O 3.42Å; R342-D401 PolarHBondContact NH2-O 3.26Å; K386-D401 IonicContact NZ-OD1 3.82Å; K386-D401 PolarHBondContact NZ-OD1 3.45Å; K386-D401 IonicContact NZ-OD2 2.83Å; K386-D401 PolarHBondContact NZ-OD2 3.41Å; I397-D401 HydrophobicContact CG2-CB 3.97Å; Q398-D401 PolarHBondContact N-OD2 3.47Å; Q398-D401 WeakPolarHBondContact O-CA 3.12Å; Q398-D401 VanDerWaalsContact O-CB 3.3Å; Q398-D401 WeakPolarHBondContact O-CB 2.78Å; Q398-D401 PolarHBondContact O-N 3.34Å; E399-D401 PolarHBondContact O-N 2.93Å
402	K	91.9	Very high	82.5	Confident	87 Å²	87	71 Å²	71	38%	0.378	38%	0.376	S	S	.	.	S	Bend	trans	-82.5	139.6	171.6	-68.3	-174.3	-173.5	155.4	0	111.4	Q383 E399	Q383-K402 PolarHBondContact NE2-O 2.88Å; E399-K402 PolarHBondContact O-N 3.19Å; E399-K402 WeakPolarHBondContact OE2-CD 3.47Å; E399-K402 WeakPolarHBondContact OE2-CE 3.45Å; E399-K402 IonicContact OE2-NZ 3.65Å; E399-K402 PolarHBondContact OE2-NZ 2.86Å
403	P	95.4	Very high	84.7	Confident	13 Å²	13	64.3 Å²	64.3	8%	0.084	35%	0.35	C	S	.	.			trans	-67.2	154.5	175.6	32.5	-34.4	0	0	0	110.3	D338 H341 R342 P405	D338-P403 HydrophobicContact CB-CG 3.82Å; D338-P403 WeakPolarHBondContact OD1-CD 3.42Å; D338-P403 WeakPolarHBondContact OD1-CG 3.2Å; H341-P403 HydrophobicContact CB-CB 4.01Å; H341-P403 HydrophobicContact CB-CG 3.97Å; R342-P403 HydrophobicContact CG-CB 3.86Å; P403-P405 VanDerWaalsContact O-CD 3.27Å; P403-P405 WeakPolarHBondContact O-CD 3.12Å
404	I	97.4	Very high	87	Confident	10 Å²	10	59.6 Å²	59.6	5%	0.051	33%	0.326	C	S	.	.			trans	-120.8	52.9	-179.5	53.2	169.3	0	0	0	111.3	Y85 I88 L376 V379 H380 F406 S407 L408	Y85-I404 HydrophobicContact CD2-CD1 4.47Å; Y85-I404 HydrophobicContact CD2-CG2 4.19Å; Y85-I404 HydrophobicContact CE2-CG2 3.8Å; I88-I404 HydrophobicContact CD1-CD1 4.32Å; I88-I404 HydrophobicContact CG2-CD1 4.24Å; L376-I404 HydrophobicContact CD2-CD1 3.6Å; L376-I404 HydrophobicContact CD2-CG1 3.97Å; V379-I404 HydrophobicContact CB-CD1 4.36Å; V379-I404 HydrophobicContact CG1-CD1 4.1Å; V379-I404 HydrophobicContact CG1-CG1 4.13Å; V379-I404 HydrophobicContact CG2-CD1 4.21Å; H380-I404 PolarHBondContact NE2-N 2.9Å; H380-I404 VanDerWaalsContact NE2-N 3.11Å; I404-F406 PolarHBondContact O-N 3.31Å; I404-F406 VanDerWaalsContact O-N 3.12Å; I404-S407 PolarHBondContact O-N 3.2Å; I404-L408 HydrophobicContact CB-CG 4.43Å; I404-L408 HydrophobicContact CG2-CD1 4.18Å; I404-L408 HydrophobicContact CG2-CD2 3.79Å; I404-L408 HydrophobicContact CG2-CG 3.95Å
405	P	97.1	Very high	89.1	Confident	33 Å²	33	54.5 Å²	54.5	21%	0.214	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.6	-175.7	30.7	-38.3	0	0	0	112.3	H341 P403	H341-P405 HydrophobicContact CB-CB 4.04Å; H341-P405 HydrophobicContact CB-CG 3.9Å; P403-P405 VanDerWaalsContact O-CD 3.27Å; P403-P405 WeakPolarHBondContact O-CD 3.12Å
406	F	97.7	Very high	90.8	Very high	45 Å²	45	48.9 Å²	48.9	20%	0.197	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	6.7	177.9	-58.2	-61.7	0	0	0	113.4	I404 S412 C413 A416 A419 N420	I404-F406 PolarHBondContact O-N 3.31Å; I404-F406 VanDerWaalsContact O-N 3.12Å; F406-S412 CarbonylContact O-C 3.36Å; F406-S412 WeakPolarHBondContact O-CA 3.41Å; F406-S412 WeakPolarHBondContact O-CB 3.43Å; F406-C413 HydrophobicContact CB-CB 3.7Å; F406-C413 HydrophobicContact CD1-CB 3.62Å; F406-C413 HydrophobicContact CG-CB 4.07Å; F406-C413 PolarHBondContact O-N 3.13Å; F406-A416 HydrophobicContact CB-CB 4.07Å; F406-A416 HydrophobicContact CD1-CB 3.78Å; F406-A416 HydrophobicContact CD2-CB 3.83Å; F406-A416 HydrophobicContact CE1-CB 4.19Å; F406-A416 HydrophobicContact CE2-CB 4.26Å; F406-A416 HydrophobicContact CG-CB 3.57Å; F406-A416 HydrophobicContact CZ-CB 4.42Å; F406-A419 HydrophobicContact CE1-CB 3.69Å; F406-A419 HydrophobicContact CZ-CB 3.87Å; F406-N420 WeakPolarHBondContact CE2-OD1 3.33Å; F406-N420 WeakPolarHBondContact CZ-OD1 3.5Å
407	S	97.2	Very high	92	Very high	18 Å²	18	43.5 Å²	43.5	13%	0.126	24%	0.238	C	C	.	.			trans	59.6	178.2	-171	-176.2	0	0	0	0	112.6	Y374 I404 S412	Y374-S407 WeakPolarHBondContact CD2-OG 3.27Å; I404-S407 PolarHBondContact O-N 3.2Å; S407-S412 WeakPolarHBondContact O-CB 3.28Å
408	L	96.6	Very high	93.3	Very high	28 Å²	28	38.7 Å²	38.7	15%	0.147	21%	0.214	C	C	.	.	S	Bend	trans	-113.8	170.6	177.9	-61.7	-179	0	0	0	112.6	Y85 I88 H89 A92 I404	Y85-L408 HydrophobicContact CE2-CD1 4.12Å; I88-L408 HydrophobicContact CG2-CB 4.48Å; I88-L408 HydrophobicContact CG2-CD1 4.22Å; H89-L408 HydrophobicContact CB-CD1 4.11Å; A92-L408 HydrophobicContact CB-CB 3.72Å; I404-L408 HydrophobicContact CB-CG 4.43Å; I404-L408 HydrophobicContact CG2-CD1 4.18Å; I404-L408 HydrophobicContact CG2-CD2 3.79Å; I404-L408 HydrophobicContact CG2-CG 3.95Å
409	G	95.6	Very high	94	Very high	8 Å²	8	33.4 Å²	33.4	8%	0.082	19%	0.191	C	C	.	.	S	Bend	trans	85.4	-168	170	0	0	0	0	0	116	A92 N93 R411 S412	A92-G409 WeakPolarHBondContact O-CA 3.36Å; N93-G409 WeakPolarHBondContact OD1-CA 3.38Å; N93-G409 PolarHBondContact OD1-N 3.39Å; G409-R411 PolarHBondContact O-N 3.1Å; G409-R411 VanDerWaalsContact O-N 3.11Å; G409-S412 PolarHBondContact O-N 3.12Å; G409-S412 PolarHBondContact O-OG 2.87Å
410	S	93.6	Very high	94.6	Very high	37 Å²	37	30.6 Å²	30.6	26%	0.259	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-12.6	-177	61.5	0	0	0	0	114.3
411	R	95.2	Very high	95	Very high	5 Å²	5	30.7 Å²	30.7	2%	0.019	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	13.6	-175.8	-53.2	-57.4	-62.9	179.2	-1.5	112.8	R101 I116 Y119 L125 R128 G409	R101-R411 PolarHBondContact NH2-O 3.05Å; I116-R411 PolarHBondContact O-NH2 3.42Å; Y119-R411 PolarHBondContact O-NH2 2.81Å; Y119-R411 VanDerWaalsContact O-NH2 3.16Å; L125-R411 VanDerWaalsContact CD2-NH1 3.28Å; R128-R411 PolarHBondContact NH2-O 3.27Å; G409-R411 PolarHBondContact O-N 3.1Å; G409-R411 VanDerWaalsContact O-N 3.11Å
412	S	96.4	Very high	95.4	Very high	42 Å²	42	29.2 Å²	29.2	29%	0.294	17%	0.169	S	C	.	.	S	Bend	trans	-59.7	156.4	170.8	61.4	0	0	0	0	112.2	R128 F406 S407 G409	R128-S412 PolarHBondContact NH2-O 3.39Å; F406-S412 CarbonylContact O-C 3.36Å; F406-S412 WeakPolarHBondContact O-CA 3.41Å; F406-S412 WeakPolarHBondContact O-CB 3.43Å; S407-S412 WeakPolarHBondContact O-CB 3.28Å; G409-S412 PolarHBondContact O-N 3.12Å; G409-S412 PolarHBondContact O-OG 2.87Å
413	C	98	Very high	95.5	Very high	51 Å²	51	25.1 Å²	25.1	35%	0.345	15%	0.152	S	C	.	.			trans	-49.2	121.2	-172.8	-174.3	0	0	0	0	112.2	F406 G415 A416	F406-C413 HydrophobicContact CB-CB 3.7Å; F406-C413 HydrophobicContact CD1-CB 3.62Å; F406-C413 HydrophobicContact CG-CB 4.07Å; F406-C413 PolarHBondContact O-N 3.13Å; C413-G415 PolarHBondContact O-N 3.5Å; C413-A416 HydrophobicContact CB-CB 4.46Å; C413-A416 PolarHBondContact O-N 2.92Å
414	P	96.9	Very high	95.4	Very high	32 Å²	32	28.2 Å²	28.2	21%	0.208	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-15.3	-177.6	34.4	-35.1	0	0	0	112.5	I116 F131 V132	I116-P414 HydrophobicContact CD1-CG 4.07Å; F131-P414 HydrophobicContact CD1-CB 3.85Å; F131-P414 HydrophobicContact CD1-CG 4.29Å; F131-P414 HydrophobicContact CE1-CB 3.86Å; F131-P414 HydrophobicContact CE1-CG 4.07Å; V132-P414 HydrophobicContact CG2-CB 3.6Å
415	G	96	Very high	95.1	Very high	16 Å²	16	29.9 Å²	29.9	17%	0.165	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	11.5	178.3	0	0	0	0	0	114.2	C413 R417 I418 A419	C413-G415 PolarHBondContact O-N 3.5Å; G415-R417 VanDerWaalsContact C-N 3.3Å; G415-R417 PolarHBondContact O-N 3.39Å; G415-I418 WeakPolarHBondContact O-CB 3.46Å; G415-I418 PolarHBondContact O-N 3.31Å; G415-A419 PolarHBondContact O-N 3.21Å
416	A	95.7	Very high	95	Very high	21 Å²	21	28.3 Å²	28.3	17%	0.174	16%	0.162	C	C	.	.	H	α-helix	trans	-54.2	-42.3	-174.4	0	0	0	0	0	113.3	F406 C413 I418 A419 N420	F406-A416 HydrophobicContact CB-CB 4.07Å; F406-A416 HydrophobicContact CD1-CB 3.78Å; F406-A416 HydrophobicContact CD2-CB 3.83Å; F406-A416 HydrophobicContact CE1-CB 4.19Å; F406-A416 HydrophobicContact CE2-CB 4.26Å; F406-A416 HydrophobicContact CG-CB 3.57Å; F406-A416 HydrophobicContact CZ-CB 4.42Å; C413-A416 HydrophobicContact CB-CB 4.46Å; C413-A416 PolarHBondContact O-N 2.92Å; A416-I418 PolarHBondContact O-N 3.48Å; A416-A419 PolarHBondContact O-N 3.18Å; A416-N420 PolarHBondContact O-N 3.02Å
417	R	93	Very high	94.8	Very high	64 Å²	64	26.2 Å²	26.2	24%	0.242	15%	0.153	C	C	.	.	H	α-helix	trans	-62.1	-39.8	176.4	-73.1	-173.4	172.5	-155.1	-4.2	113	V135 H136 I139 G415 L421	V135-R417 HydrophobicContact CG1-CB 4.01Å; H136-R417 VanDerWaalsContact CE1-CZ 3.46Å; H136-R417 PolarHBondContact CE1-NE 3.4Å; H136-R417 VanDerWaalsContact CE1-NE 3.33Å; H136-R417 PolarHBondContact CE1-NH2 2.92Å; H136-R417 PolarHBondContact ND1-NE 3.27Å; H136-R417 PolarHBondContact ND1-NH1 2.85Å; H136-R417 PolarHBondContact ND1-NH2 2.85Å; H136-R417 VanDerWaalsContact ND1-NH2 3.15Å; H136-R417 PolarHBondContact O-NH1 2.97Å; I139-R417 HydrophobicContact CB-CB 4.46Å; I139-R417 HydrophobicContact CD1-CB 4.24Å; I139-R417 HydrophobicContact CG2-CB 4.25Å; I139-R417 PolarHBondContact O-NH1 2.73Å; G415-R417 VanDerWaalsContact C-N 3.3Å; G415-R417 PolarHBondContact O-N 3.39Å; R417-L421 WeakPolarHBondContact O-CB 3.33Å; R417-L421 PolarHBondContact O-N 3.42Å
418	I	94.2	Very high	94.4	Very high	12 Å²	12	27.6 Å²	27.6	6%	0.062	16%	0.161	C	C	.	.	H	α-helix	trans	-65.7	-50.4	175.8	-61	164.5	0	0	0	109	F131 V135 I139 I192 L195 L278 G415 A416 N420 L421 L422	F131-I418 HydrophobicContact CZ-CD1 4.42Å; V135-I418 HydrophobicContact CG1-CD1 4.37Å; V135-I418 HydrophobicContact CG1-CG1 4.21Å; V135-I418 HydrophobicContact CG2-CD1 3.95Å; I139-I418 HydrophobicContact CD1-CB 4.14Å; I139-I418 HydrophobicContact CD1-CD1 4.2Å; I139-I418 HydrophobicContact CD1-CG1 3.14Å; I192-I418 HydrophobicContact CD1-CG2 3.77Å; L195-I418 HydrophobicContact CD2-CD1 3.72Å; L195-I418 HydrophobicContact CD2-CG1 4.02Å; L195-I418 HydrophobicContact CD2-CG2 3.89Å; L278-I418 HydrophobicContact CD1-CD1 4.37Å; G415-I418 WeakPolarHBondContact O-CB 3.46Å; G415-I418 PolarHBondContact O-N 3.31Å; A416-I418 PolarHBondContact O-N 3.48Å; I418-N420 PolarHBondContact O-N 3.27Å; I418-L421 PolarHBondContact O-N 3.01Å; I418-L422 HydrophobicContact CG2-CD1 3.83Å; I418-L422 HydrophobicContact CG2-CG 4.2Å; I418-L422 VanDerWaalsContact O-CG 3.32Å; I418-L422 WeakPolarHBondContact O-CG 3.16Å; I418-L422 PolarHBondContact O-N 3.39Å
419	A	95.3	Very high	94.2	Very high	8 Å²	8	27 Å²	27	7%	0.066	16%	0.16	C	C	.	.	H	α-helix	trans	-59.1	-49.6	-176.4	0	0	0	0	0	111.7	F406 G415 A416 L421 L422 I423	F406-A419 HydrophobicContact CE1-CB 3.69Å; F406-A419 HydrophobicContact CZ-CB 3.87Å; G415-A419 PolarHBondContact O-N 3.21Å; A416-A419 PolarHBondContact O-N 3.18Å; A419-L421 PolarHBondContact O-N 3.1Å; A419-L422 PolarHBondContact O-N 3.46Å; A419-I423 HydrophobicContact CB-CD1 4.43Å; A419-I423 WeakPolarHBondContact O-CB 3.28Å; A419-I423 WeakPolarHBondContact O-CD1 3.33Å; A419-I423 WeakPolarHBondContact O-CG1 3.29Å; A419-I423 PolarHBondContact O-N 3.14Å
420	N	93.6	Very high	94	Very high	53 Å²	53	26.6 Å²	26.6	28%	0.283	16%	0.156	S	C	.	.	H	α-helix	trans	-58.3	-48.9	178.3	-76.1	-6.3	0	0	0	111.9	F406 A416 I418 L422 I423 E424	F406-N420 WeakPolarHBondContact CE2-OD1 3.33Å; F406-N420 WeakPolarHBondContact CZ-OD1 3.5Å; A416-N420 PolarHBondContact O-N 3.02Å; I418-N420 PolarHBondContact O-N 3.27Å; N420-L422 VanDerWaalsContact C-N 3.32Å; N420-L422 PolarHBondContact O-N 3.43Å; N420-I423 PolarHBondContact O-N 2.98Å; N420-E424 VanDerWaalsContact O-CB 3.32Å; N420-E424 WeakPolarHBondContact O-CB 3.37Å; N420-E424 WeakPolarHBondContact O-CG 3.3Å; N420-E424 PolarHBondContact O-N 3.23Å
421	L	92.2	Very high	93.6	Very high	30 Å²	30	26.3 Å²	26.3	16%	0.157	15%	0.151	C	C	.	.	H	α-helix	trans	-58.1	-44.2	178.7	178.1	136.7	0	0	0	112	I139 I159 R417 I418 A419 Q425	I139-L421 HydrophobicContact CG2-CD1 4.1Å; I159-L421 HydrophobicContact CD1-CD2 3.53Å; R417-L421 WeakPolarHBondContact O-CB 3.33Å; R417-L421 PolarHBondContact O-N 3.42Å; I418-L421 PolarHBondContact O-N 3.01Å; A419-L421 PolarHBondContact O-N 3.1Å; L421-Q425 WeakPolarHBondContact O-CB 2.99Å; L421-Q425 VanDerWaalsContact O-CG 3.27Å; L421-Q425 WeakPolarHBondContact O-CG 3.24Å; L421-Q425 PolarHBondContact O-N 2.96Å
422	L	94.6	Very high	93.2	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-69.3	-42.1	178.7	-65	-176.5	0	0	0	112.4	I159 V188 I191 I192 T310 I418 A419 N420 I426	I159-L422 HydrophobicContact CD1-CD2 3.76Å; I159-L422 HydrophobicContact CG1-CD2 4.17Å; I159-L422 HydrophobicContact CG2-CD2 4.3Å; V188-L422 HydrophobicContact CG1-CD1 4.45Å; I191-L422 HydrophobicContact CD1-CD2 4.17Å; I191-L422 HydrophobicContact CG2-CD1 4.05Å; I191-L422 HydrophobicContact CG2-CD2 3.63Å; I192-L422 HydrophobicContact CD1-CD1 3.75Å; I192-L422 HydrophobicContact CG1-CD1 4.39Å; T310-L422 HydrophobicContact CG2-CB 4.18Å; I418-L422 HydrophobicContact CG2-CD1 3.83Å; I418-L422 HydrophobicContact CG2-CG 4.2Å; I418-L422 VanDerWaalsContact O-CG 3.32Å; I418-L422 WeakPolarHBondContact O-CG 3.16Å; I418-L422 PolarHBondContact O-N 3.39Å; A419-L422 PolarHBondContact O-N 3.46Å; N420-L422 VanDerWaalsContact C-N 3.32Å; N420-L422 PolarHBondContact O-N 3.43Å; L422-I426 HydrophobicContact CB-CD1 4.35Å; L422-I426 VanDerWaalsContact O-CB 3.24Å; L422-I426 WeakPolarHBondContact O-CB 3.39Å; L422-I426 WeakPolarHBondContact O-CD1 3.17Å; L422-I426 VanDerWaalsContact O-CG1 3.24Å; L422-I426 WeakPolarHBondContact O-CG1 3.21Å; L422-I426 PolarHBondContact O-N 3.26Å
423	I	94.4	Very high	92.8	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-60.7	-50.8	177.8	-70.1	160.5	0	0	0	109.6	T310 T313 L314 A419 N420 L427	T310-I423 HydrophobicContact CG2-CG1 4.01Å; T313-I423 HydrophobicContact CG2-CD1 3.68Å; T313-I423 HydrophobicContact CG2-CG1 4.23Å; L314-I423 HydrophobicContact CG-CG1 4.5Å; A419-I423 HydrophobicContact CB-CD1 4.43Å; A419-I423 WeakPolarHBondContact O-CB 3.28Å; A419-I423 WeakPolarHBondContact O-CD1 3.33Å; A419-I423 WeakPolarHBondContact O-CG1 3.29Å; A419-I423 PolarHBondContact O-N 3.14Å; N420-I423 PolarHBondContact O-N 2.98Å; I423-L427 WeakPolarHBondContact O-CB 3.32Å; I423-L427 PolarHBondContact O-N 3.19Å
424	E	92.1	Very high	92.2	Very high	77 Å²	77	31.8 Å²	31.8	36%	0.36	17%	0.168	S	C	.	.	H	α-helix	trans	-57.1	-53.6	178.5	-78.5	169.3	-160.2	0	0	111.9	I337 N420 T428	I337-E424 HydrophobicContact CD1-CG 3.39Å; N420-E424 VanDerWaalsContact O-CB 3.32Å; N420-E424 WeakPolarHBondContact O-CB 3.37Å; N420-E424 WeakPolarHBondContact O-CG 3.3Å; N420-E424 PolarHBondContact O-N 3.23Å; E424-T428 WeakPolarHBondContact O-CB 3.14Å; E424-T428 PolarHBondContact O-N 3.08Å; E424-T428 PolarHBondContact O-OG1 3.28Å
425	Q	92.9	Very high	91.5	Very high	46 Å²	46	33.3 Å²	33.3	22%	0.215	17%	0.174	C	C	.	.	H	α-helix	trans	-69.2	-44	-174.1	-69.3	-174.2	19.4	0	0	112.7	Q156 I163 L421 T428 A429	Q156-Q425 VanDerWaalsContact OE1-NE2 3.16Å; I163-Q425 HydrophobicContact CD1-CB 3.87Å; L421-Q425 WeakPolarHBondContact O-CB 2.99Å; L421-Q425 VanDerWaalsContact O-CG 3.27Å; L421-Q425 WeakPolarHBondContact O-CG 3.24Å; L421-Q425 PolarHBondContact O-N 2.96Å; Q425-T428 PolarHBondContact O-N 2.76Å; Q425-A429 WeakPolarHBondContact O-CB 3.42Å; Q425-A429 PolarHBondContact O-N 3.39Å
426	I	94.8	Very high	90.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.4	-45.8	179.7	-67	166.4	0	0	0	109.8	I163 L166 M184 T187 V188 I191 L314 L422 T428 A429 I430	I163-I426 HydrophobicContact CD1-CG1 4.03Å; I163-I426 HydrophobicContact CG1-CG1 3.88Å; L166-I426 HydrophobicContact CD2-CG2 3.81Å; M184-I426 HydrophobicContact SD-CG2 3.99Å; T187-I426 HydrophobicContact CG2-CD1 4.43Å; V188-I426 HydrophobicContact CG2-CD1 3.99Å; I191-I426 HydrophobicContact CD1-CD1 4.24Å; L314-I426 HydrophobicContact CD1-CB 4.2Å; L314-I426 HydrophobicContact CD1-CD1 3.73Å; L314-I426 HydrophobicContact CD1-CG2 3.96Å; L314-I426 HydrophobicContact CD2-CB 3.94Å; L314-I426 HydrophobicContact CD2-CG2 3.82Å; L422-I426 HydrophobicContact CB-CD1 4.35Å; L422-I426 VanDerWaalsContact O-CB 3.24Å; L422-I426 WeakPolarHBondContact O-CB 3.39Å; L422-I426 WeakPolarHBondContact O-CD1 3.17Å; L422-I426 VanDerWaalsContact O-CG1 3.24Å; L422-I426 WeakPolarHBondContact O-CG1 3.21Å; L422-I426 PolarHBondContact O-N 3.26Å; I426-T428 VanDerWaalsContact C-N 3.33Å; I426-T428 PolarHBondContact O-N 3.32Å; I426-A429 PolarHBondContact O-N 2.83Å; I426-I430 HydrophobicContact CG2-CD1 3.81Å; I426-I430 VanDerWaalsContact O-CG1 3.31Å; I426-I430 WeakPolarHBondContact O-CG1 3.34Å; I426-I430 PolarHBondContact O-N 3.45Å
427	L	91.9	Very high	89.7	Confident	1 Å²	1	34 Å²	34	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-66.3	-37.9	-179.7	-168.9	59.4	0	0	0	111.6	L314 A317 L321 L332 I340 I423 I430 N431	L314-L427 HydrophobicContact CD2-CB 4.31Å; A317-L427 HydrophobicContact CB-CD1 3.77Å; A317-L427 HydrophobicContact CB-CD2 3.83Å; A317-L427 HydrophobicContact CB-CG 4.47Å; L321-L427 HydrophobicContact CD1-CD1 3.71Å; L332-L427 HydrophobicContact CD1-CB 4.34Å; L332-L427 HydrophobicContact CD1-CG 4.06Å; L332-L427 HydrophobicContact CD2-CB 4.44Å; L332-L427 HydrophobicContact CD2-CD2 3.39Å; L332-L427 HydrophobicContact CD2-CG 3.65Å; I340-L427 HydrophobicContact CD1-CD2 3.54Å; I423-L427 WeakPolarHBondContact O-CB 3.32Å; I423-L427 PolarHBondContact O-N 3.19Å; L427-I430 PolarHBondContact O-N 3.38Å; L427-N431 WeakPolarHBondContact O-CB 3.4Å; L427-N431 PolarHBondContact O-N 3.32Å
428	T	90.5	Very high	88.5	Confident	46 Å²	46	32.2 Å²	32.2	28%	0.282	16%	0.164	S	C	.	.	H	α-helix	trans	-60.1	-48.6	174.2	-61.3	0	0	0	0	111.7	L332 E424 Q425 I426 I430 N431 Q432	L332-T428 WeakPolarHBondContact CD1-OG1 3.25Å; E424-T428 WeakPolarHBondContact O-CB 3.14Å; E424-T428 PolarHBondContact O-N 3.08Å; E424-T428 PolarHBondContact O-OG1 3.28Å; Q425-T428 PolarHBondContact O-N 2.76Å; I426-T428 VanDerWaalsContact C-N 3.33Å; I426-T428 PolarHBondContact O-N 3.32Å; T428-I430 VanDerWaalsContact C-N 3.33Å; T428-I430 PolarHBondContact O-N 3.36Å; T428-N431 PolarHBondContact O-N 2.85Å; T428-Q432 HydrophobicContact CG2-CG 4.32Å; T428-Q432 WeakPolarHBondContact O-CB 3.14Å; T428-Q432 VanDerWaalsContact O-CG 3.26Å; T428-Q432 WeakPolarHBondContact O-CG 3.44Å; T428-Q432 PolarHBondContact O-N 2.86Å
429	A	92	Very high	86.8	Confident	16 Å²	16	35.7 Å²	35.7	13%	0.132	18%	0.182	C	C	.	.	H	α-helix	trans	-62.5	-40.1	179	0	0	0	0	0	112.4	I163 I167 Q425 I426 E433	I163-A429 HydrophobicContact CG2-CB 3.33Å; I167-A429 HydrophobicContact CD1-CB 4.07Å; I167-A429 WeakPolarHBondContact CD1-O 3.32Å; I167-A429 HydrophobicContact CG1-CB 4.41Å; Q425-A429 WeakPolarHBondContact O-CB 3.42Å; Q425-A429 PolarHBondContact O-N 3.39Å; I426-A429 PolarHBondContact O-N 2.83Å; A429-E433 WeakPolarHBondContact O-CB 3.41Å; A429-E433 WeakPolarHBondContact O-CG 3.5Å
430	I	91	Very high	84.8	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.2	-49.4	177.1	-64.7	164.7	0	0	0	110.6	L166 I167 L170 M184 I426 L427 T428 Q432 E433 F434 I436	L166-I430 HydrophobicContact CD2-CD1 4.22Å; L166-I430 HydrophobicContact CD2-CG1 4.41Å; I167-I430 HydrophobicContact CD1-CG1 4.45Å; L170-I430 HydrophobicContact CD1-CG1 4.41Å; M184-I430 HydrophobicContact CE-CD1 3.45Å; M184-I430 VanDerWaalsContact CE-CD1 3.45Å; M184-I430 HydrophobicContact SD-CD1 4.24Å; I426-I430 HydrophobicContact CG2-CD1 3.81Å; I426-I430 VanDerWaalsContact O-CG1 3.31Å; I426-I430 WeakPolarHBondContact O-CG1 3.34Å; I426-I430 PolarHBondContact O-N 3.45Å; L427-I430 PolarHBondContact O-N 3.38Å; T428-I430 VanDerWaalsContact C-N 3.33Å; T428-I430 PolarHBondContact O-N 3.36Å; I430-Q432 VanDerWaalsContact C-N 3.28Å; I430-Q432 PolarHBondContact O-N 3.12Å; I430-E433 PolarHBondContact O-N 2.88Å; I430-F434 HydrophobicContact CG2-CD2 4.39Å; I430-F434 PolarHBondContact O-N 2.85Å; I430-I436 HydrophobicContact CG2-CD1 3.84Å; I430-I436 HydrophobicContact CG2-CG1 4.35Å
431	N	85.7	Confident	82.5	Confident	30 Å²	30	41.1 Å²	41.1	16%	0.16	21%	0.213	C	C	.	.	H	α-helix	trans	-67.9	-25.3	-175.3	-176.7	76.1	0	0	0	113.4	L330 L332 L427 T428	L330-N431 PolarHBondContact O-ND2 2.86Å; L332-N431 HydrophobicContact CD1-CB 3.91Å; L427-N431 WeakPolarHBondContact O-CB 3.4Å; L427-N431 PolarHBondContact O-N 3.32Å; T428-N431 PolarHBondContact O-N 2.85Å
432	Q	87.1	Confident	79.8	Confident	136 Å²	136	42.3 Å²	42.3	64%	0.636	22%	0.223	S	C	*	.	H	α-helix	trans	-75.4	-25.5	174.4	-77	175.8	-12.4	0	0	113.5	T428 I430	T428-Q432 HydrophobicContact CG2-CG 4.32Å; T428-Q432 WeakPolarHBondContact O-CB 3.14Å; T428-Q432 VanDerWaalsContact O-CG 3.26Å; T428-Q432 WeakPolarHBondContact O-CG 3.44Å; T428-Q432 PolarHBondContact O-N 2.86Å; I430-Q432 VanDerWaalsContact C-N 3.28Å; I430-Q432 PolarHBondContact O-N 3.12Å
433	E	86.9	Confident	77	Confident	69 Å²	69	46.7 Å²	46.7	32%	0.322	25%	0.252	S	S	.	.	H	α-helix	trans	-112.5	-17.2	-168	-68.5	-74.3	-179.5	0	0	113.2	I167 R171 A429 I430 S481	I167-E433 HydrophobicContact CD1-CB 4.41Å; I167-E433 HydrophobicContact CD1-CG 4.39Å; I167-E433 HydrophobicContact CG2-CG 4.26Å; R171-E433 IonicContact CZ-OE2 2.97Å; R171-E433 IonicContact NE-OE2 3.83Å; R171-E433 IonicContact NH2-OE1 3.76Å; R171-E433 PolarHBondContact NH2-OE1 3.41Å; R171-E433 VanDerWaalsContact NH2-OE1 3.1Å; R171-E433 IonicContact NH2-OE2 3.39Å; R171-E433 PolarHBondContact NH2-OE2 3.37Å; A429-E433 WeakPolarHBondContact O-CB 3.41Å; A429-E433 WeakPolarHBondContact O-CG 3.5Å; I430-E433 PolarHBondContact O-N 2.88Å; E433-S481 PolarHBondContact O-N 2.82Å; E433-S481 VanDerWaalsContact O-N 3.13Å; E433-S481 PolarHBondContact O-OG 3.36Å
434	F	86	Confident	74.1	Confident	9 Å²	9	55.4 Å²	55.4	4%	0.039	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	144.5	-170.4	-57.2	-79.8	0	0	0	113.5	I167 L170 R171 I430 I478 Y479	I167-F434 HydrophobicContact CB-CE2 4.47Å; I167-F434 HydrophobicContact CD1-CD2 4.29Å; I167-F434 HydrophobicContact CD1-CE2 3.65Å; I167-F434 HydrophobicContact CG2-CE2 3.99Å; I167-F434 HydrophobicContact CG2-CZ 4.13Å; L170-F434 HydrophobicContact CB-CE1 3.8Å; L170-F434 HydrophobicContact CB-CE2 3.75Å; L170-F434 HydrophobicContact CB-CZ 3.32Å; L170-F434 HydrophobicContact CD1-CD2 4.13Å; L170-F434 HydrophobicContact CD1-CE2 3.78Å; L170-F434 HydrophobicContact CD1-CZ 4.26Å; L170-F434 HydrophobicContact CG-CE2 4.43Å; L170-F434 HydrophobicContact CG-CZ 4.43Å; R171-F434 HydrophobicContact CG-CE1 4Å; R171-F434 HydrophobicContact CG-CZ 3.76Å; I430-F434 HydrophobicContact CG2-CD2 4.39Å; I430-F434 PolarHBondContact O-N 2.85Å; F434-I478 HydrophobicContact CB-CG2 3.37Å; F434-I478 HydrophobicContact CD1-CG2 3.57Å; F434-I478 HydrophobicContact CD2-CG2 4.23Å; F434-I478 HydrophobicContact CE1-CG2 4.41Å; F434-I478 HydrophobicContact CG-CG2 3.46Å; F434-I478 VanDerWaalsContact CG-CG2 3.46Å; F434-Y479 CarbonylContact C-O 3.2Å; F434-Y479 WeakPolarHBondContact CA-O 3.23Å; F434-Y479 WeakPolarHBondContact CB-O 3.46Å; F434-Y479 WeakPolarHBondContact CD1-O 3.36Å
435	L	82.4	Confident	71.2	Confident	64 Å²	64	58.1 Å²	58.1	34%	0.335	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	123.8	162.3	-176.2	67.1	0	0	0	109.2	Q437 Y479	L435-Q437 HydrophobicContact CD2-CG 4.27Å; L435-Q437 VanDerWaalsContact CD2-NE2 3.34Å; L435-Q437 HydrophobicContact CG-CG 4.17Å; L435-Y479 PolarHBondContact N-O 3.16Å; L435-Y479 PolarHBondContact O-N 3.29Å
436	I	79.7	Confident	68.3	Low	13 Å²	13	61.3 Å²	61.3	7%	0.067	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	127.1	179.5	-50.2	-178.2	0	0	0	108.8	C318 L321 A322 I430 I476 I478	C318-I436 HydrophobicContact CB-CD1 4.18Å; C318-I436 HydrophobicContact CB-CG2 4.48Å; L321-I436 HydrophobicContact CB-CB 4.43Å; L321-I436 HydrophobicContact CB-CD1 4.06Å; L321-I436 HydrophobicContact CD1-CD1 3.8Å; A322-I436 HydrophobicContact CB-CG2 3.82Å; I430-I436 HydrophobicContact CG2-CD1 3.84Å; I430-I436 HydrophobicContact CG2-CG1 4.35Å; I436-I476 HydrophobicContact CG2-CG2 3.47Å; I436-I476 VanDerWaalsContact CG2-CG2 3.47Å; I436-I478 HydrophobicContact CG2-CG1 4.46Å
437	Q	73.8	Confident	65.4	Low	38 Å²	38	64.9 Å²	64.9	18%	0.178	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	145.2	-180	-66.4	-174.6	-18.7	0	0	112	L435 I476 T477 Y479	L435-Q437 HydrophobicContact CD2-CG 4.27Å; L435-Q437 VanDerWaalsContact CD2-NE2 3.34Å; L435-Q437 HydrophobicContact CG-CG 4.17Å; Q437-I476 WeakPolarHBondContact O-CG2 3.41Å; Q437-T477 PolarHBondContact N-O 2.87Å; Q437-T477 PolarHBondContact O-N 2.85Å; Q437-T477 VanDerWaalsContact O-N 3.1Å; Q437-T477 VanDerWaalsContact O-O 3.05Å; Q437-Y479 HydrophobicContact CB-CD2 4.22Å; Q437-Y479 HydrophobicContact CB-CE2 4.04Å; Q437-Y479 HydrophobicContact CG-CD2 4.15Å; Q437-Y479 HydrophobicContact CG-CE2 4.3Å
438	N	67.3	Low	62.6	Low	26 Å²	26	67.1 Å²	67.1	14%	0.139	36%	0.36	C	S	.	.			trans	-75.7	139.8	174.5	-163	-40.3	0	0	0	110.8	A322 T440 Q441	A322-N438 HydrophobicContact CB-CB 4.4Å; N438-T440 PolarHBondContact O-N 3.22Å; N438-T440 PolarHBondContact OD1-N 3.1Å; N438-T440 VanDerWaalsContact OD1-N 3.09Å; N438-T440 PolarHBondContact OD1-OG1 2.84Å; N438-T440 VanDerWaalsContact OD1-OG1 3.04Å; N438-Q441 HydrophobicContact CB-CG 4.22Å; N438-Q441 PolarHBondContact O-N 3.39Å; N438-Q441 VanDerWaalsContact O-N 3.14Å
439	I	58.7	Low	60.2	Low	86 Å²	86	70.1 Å²	70.1	44%	0.441	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-32.6	176.6	-59.9	168.4	0	0	0	111.6	P177 Q441 V475 T477	P177-I439 HydrophobicContact CB-CD1 3.94Å; P177-I439 HydrophobicContact CB-CG1 4.42Å; P177-I439 HydrophobicContact CG-CD1 4.34Å; P177-I439 HydrophobicContact CG-CG1 4.49Å; I439-Q441 VanDerWaalsContact C-N 3.34Å; I439-V475 HydrophobicContact CD1-CB 3.82Å; I439-V475 HydrophobicContact CD1-CG1 3.56Å; I439-V475 VanDerWaalsContact CD1-O 3.27Å; I439-V475 WeakPolarHBondContact CD1-O 3.42Å; I439-T477 WeakPolarHBondContact CG1-OG1 3.31Å
440	T	53.3	Low	57.4	Low	115 Å²	115	76.7 Å²	76.7	71%	0.706	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-12.7	-178.1	56.5	0	0	0	0	113.8	N438 S442	N438-T440 PolarHBondContact O-N 3.22Å; N438-T440 PolarHBondContact OD1-N 3.1Å; N438-T440 VanDerWaalsContact OD1-N 3.09Å; N438-T440 PolarHBondContact OD1-OG1 2.84Å; N438-T440 VanDerWaalsContact OD1-OG1 3.04Å; T440-S442 PolarHBondContact O-N 3.1Å
441	Q	45.2	Very low	54.6	Low	60 Å²	60	79.8 Å²	79.8	28%	0.28	43%	0.427	S	S	.	.	S	Bend	trans	-86.2	110.3	173.2	-69.8	178.5	-3.1	0	0	108.2	A322 N438 I439	A322-Q441 PolarHBondContact O-OE1 2.93Å; N438-Q441 HydrophobicContact CB-CG 4.22Å; N438-Q441 PolarHBondContact O-N 3.39Å; N438-Q441 VanDerWaalsContact O-N 3.14Å; I439-Q441 VanDerWaalsContact C-N 3.34Å
442	S	34.7	Very low	52	Low	54 Å²	54	82.3 Å²	82.3	38%	0.378	44%	0.436	S	S	.	.			trans	-53.5	138.1	164.5	169.7	0	0	0	0	108.5	T440 F444 E445	T440-S442 PolarHBondContact O-N 3.1Å; S442-F444 PolarHBondContact O-N 3.21Å; S442-F444 PolarHBondContact OG-N 3.46Å; S442-E445 PolarHBondContact O-N 3.34Å
443	P	36	Very low	49.4	Very low	94 Å²	94	83.9 Å²	83.9	61%	0.61	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-10.5	176.3	20.5	-31	0	0	0	113.8
444	F	34.2	Very low	46.7	Very low	184 Å²	184	85.7 Å²	85.7	81%	0.807	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	0.8	178.2	-60.2	-75.5	0	0	0	115.1	S442 T446	S442-F444 PolarHBondContact O-N 3.21Å; S442-F444 PolarHBondContact OG-N 3.46Å; F444-T446 PolarHBondContact O-N 3.34Å
445	E	30.6	Very low	44.3	Very low	133 Å²	133	89.7 Å²	89.7	62%	0.621	48%	0.478	S	S	*	.			trans	-97.8	74.3	173	-76.8	-176.5	170.2	0	0	110.5	S442 I447	S442-E445 PolarHBondContact O-N 3.34Å; E445-I447 PolarHBondContact O-N 3.09Å
446	T	33.1	Very low	42.3	Very low	114 Å²	114	88.7 Å²	88.7	70%	0.699	48%	0.476	S	S	*	.			trans	-65.9	102.3	160.2	41	0	0	0	0	108.4	F444 S448	F444-T446 PolarHBondContact O-N 3.34Å; T446-S448 PolarHBondContact O-N 2.9Å
447	I	32.9	Very low	40.3	Very low	75 Å²	75	89.3 Å²	89.3	39%	0.385	48%	0.483	S	S	.	.			trans	-58.6	120.6	166.5	-59.2	174.6	0	0	0	106.8	E445 V451 F452	E445-I447 PolarHBondContact O-N 3.09Å; I447-V451 HydrophobicContact CG2-CB 3.92Å; I447-V451 HydrophobicContact CG2-CG1 3.81Å; I447-F452 HydrophobicContact CB-CD2 4.5Å; I447-F452 HydrophobicContact CG2-CB 4.2Å; I447-F452 HydrophobicContact CG2-CD2 4.13Å
448	S	33.5	Very low	38.1	Very low	48 Å²	48	94.2 Å²	94.2	34%	0.336	50%	0.504	S	S	.	.			trans	-62.1	149.4	179.2	80.8	0	0	0	0	110.1	T446 E450 V451 F452	T446-S448 PolarHBondContact O-N 2.9Å; S448-E450 PolarHBondContact O-N 2.8Å; S448-V451 PolarHBondContact O-N 2.9Å; S448-V451 WeakPolarHBondContact OG-CG2 3.22Å; S448-V451 PolarHBondContact OG-N 2.96Å; S448-F452 PolarHBondContact O-N 3.35Å
449	P	39.7	Very low	36.6	Very low	109 Å²	109	95 Å²	95	71%	0.708	52%	0.515	S	S	*	.	H	α-helix	trans	-52.9	-32	178.7	-25.5	33.2	0	0	0	113.4	K453	P449-K453 PolarHBondContact O-N 3.47Å
450	E	33.9	Very low	35.8	Very low	154 Å²	154	93.4 Å²	93.4	72%	0.72	50%	0.504	S	S	*	.	H	α-helix	trans	-75.1	-37.8	178.2	-69.1	-179.1	162.1	0	0	112.8	S448 F452 K453 T454	S448-E450 PolarHBondContact O-N 2.8Å; E450-F452 VanDerWaalsContact C-N 3.31Å; E450-K453 PolarHBondContact O-N 3.27Å; E450-T454 PolarHBondContact O-N 2.86Å; E450-T454 PolarHBondContact O-OG1 3.41Å
451	V	31.5	Very low	35.2	Very low	65 Å²	65	88.9 Å²	88.9	39%	0.394	48%	0.476	S	S	.	.	H	α-helix	trans	-70.9	-31.1	173.8	176.2	0	0	0	0	110.6	I447 S448 T454 I455	I447-V451 HydrophobicContact CG2-CB 3.92Å; I447-V451 HydrophobicContact CG2-CG1 3.81Å; S448-V451 PolarHBondContact O-N 2.9Å; S448-V451 WeakPolarHBondContact OG-CG2 3.22Å; S448-V451 PolarHBondContact OG-N 2.96Å; V451-T454 PolarHBondContact O-N 3.39Å; V451-T454 VanDerWaalsContact O-N 3.12Å; V451-I455 HydrophobicContact CG1-CD1 3.41Å; V451-I455 VanDerWaalsContact CG1-CD1 3.41Å; V451-I455 HydrophobicContact CG1-CG1 3.79Å; V451-I455 PolarHBondContact O-N 2.87Å
452	F	32.4	Very low	34.8	Very low	83 Å²	83	90.8 Å²	90.8	36%	0.364	49%	0.488	S	S	.	.	H	α-helix	trans	-65.2	-36.3	173.3	-152.9	-92	0	0	0	112.7	R323 I447 S448 E450 T454	R323-F452 WeakPolarHBondContact O-CE2 3.49Å; R323-F452 WeakPolarHBondContact O-CZ 3.22Å; I447-F452 HydrophobicContact CB-CD2 4.5Å; I447-F452 HydrophobicContact CG2-CB 4.2Å; I447-F452 HydrophobicContact CG2-CD2 4.13Å; S448-F452 PolarHBondContact O-N 3.35Å; E450-F452 VanDerWaalsContact C-N 3.31Å; F452-T454 VanDerWaalsContact C-N 3.28Å; F452-T454 PolarHBondContact O-N 3.47Å
453	K	31.2	Very low	35.5	Very low	168 Å²	168	90.9 Å²	90.9	73%	0.73	49%	0.486	S	S	*	.	H	α-helix	trans	-66.1	-28.5	171.4	-75.4	-176.3	177	-173.6	0	112.8	P449 E450	P449-K453 PolarHBondContact O-N 3.47Å; E450-K453 PolarHBondContact O-N 3.27Å
454	T	31.2	Very low	36.4	Very low	107 Å²	107	86.4 Å²	86.4	66%	0.656	46%	0.457	S	S	*	.	H	α-helix	trans	-112.4	-22.6	-161.6	-35.4	0	0	0	0	115.6	E450 V451 F452 S456	E450-T454 PolarHBondContact O-N 2.86Å; E450-T454 PolarHBondContact O-OG1 3.41Å; V451-T454 PolarHBondContact O-N 3.39Å; V451-T454 VanDerWaalsContact O-N 3.12Å; F452-T454 VanDerWaalsContact C-N 3.28Å; F452-T454 PolarHBondContact O-N 3.47Å; T454-S456 WeakPolarHBondContact O-CB 3.3Å; T454-S456 PolarHBondContact O-N 3.43Å
455	I	34.2	Very low	37.3	Very low	94 Å²	94	79.2 Å²	79.2	48%	0.482	43%	0.426	S	S	.	.	S	Bend	trans	-64.3	-7.4	162.5	-64.4	178	0	0	0	110.9	V451 A459 F460	V451-I455 HydrophobicContact CG1-CD1 3.41Å; V451-I455 VanDerWaalsContact CG1-CD1 3.41Å; V451-I455 HydrophobicContact CG1-CG1 3.79Å; V451-I455 PolarHBondContact O-N 2.87Å; I455-A459 WeakPolarHBondContact O-CB 3.48Å; I455-F460 HydrophobicContact CG2-CE2 4.4Å
456	S	40.3	Very low	38.2	Very low	43 Å²	43	76 Å²	76	30%	0.301	41%	0.413	S	S	.	.	H	α-helix	trans	76.4	125.9	148.1	84.3	0	0	0	0	113.5	T454 F458 A459	T454-S456 WeakPolarHBondContact O-CB 3.3Å; T454-S456 PolarHBondContact O-N 3.43Å; S456-F458 PolarHBondContact O-N 2.92Å; S456-A459 PolarHBondContact O-N 3.39Å
457	A	38.6	Very low	39.2	Very low	26 Å²	26	72.5 Å²	72.5	22%	0.215	39%	0.389	C	S	.	.	H	α-helix	trans	-33.5	-32.2	168.2	0	0	0	0	0	115.2	I388 I461	I388-A457 HydrophobicContact CD1-CB 3.5Å; I388-A457 HydrophobicContact CG1-CB 4.49Å; I388-A457 HydrophobicContact CG2-CB 3.8Å; A457-I461 WeakPolarHBondContact O-CB 3.43Å; A457-I461 VanDerWaalsContact O-CD1 3.32Å; A457-I461 WeakPolarHBondContact O-CD1 3.35Å; A457-I461 WeakPolarHBondContact O-CG1 3.42Å; A457-I461 PolarHBondContact O-N 2.94Å
458	F	28.3	Very low	40.1	Very low	140 Å²	140	70.7 Å²	70.7	61%	0.614	38%	0.379	S	S	*	.	H	α-helix	trans	-67.5	-43.5	177.5	-79.8	-86.7	0	0	0	114.9	S456 F460 I461 N462	S456-F458 PolarHBondContact O-N 2.92Å; F458-F460 VanDerWaalsContact C-N 3.29Å; F458-F460 PolarHBondContact O-N 3.4Å; F458-I461 PolarHBondContact O-N 3.15Å; F458-N462 PolarHBondContact O-N 2.93Å; F458-N462 PolarHBondContact O-ND2 3.47Å
459	A	34.5	Very low	40.7	Very low	44 Å²	44	71 Å²	71	36%	0.364	38%	0.381	S	S	.	.	H	α-helix	trans	-65.9	-36.5	174.9	0	0	0	0	0	111.2	I455 S456 T463	I455-A459 WeakPolarHBondContact O-CB 3.48Å; S456-A459 PolarHBondContact O-N 3.39Å; A459-T463 WeakPolarHBondContact O-CG2 3.19Å; A459-T463 PolarHBondContact O-N 2.99Å; A459-T463 PolarHBondContact O-OG1 3.05Å
460	F	42.8	Very low	41	Very low	51 Å²	51	72.1 Å²	72.1	22%	0.224	38%	0.376	C	S	.	.	H	α-helix	trans	-69.3	-37.3	175.1	-76.6	-82.3	0	0	0	113.3	W343 I455 F458 T463 R464	W343-F460 HydrophobicContact CH2-CB 4.24Å; W343-F460 HydrophobicContact CH2-CD1 4.43Å; I455-F460 HydrophobicContact CG2-CE2 4.4Å; F458-F460 VanDerWaalsContact C-N 3.29Å; F458-F460 PolarHBondContact O-N 3.4Å; F460-T463 WeakPolarHBondContact CA-OG1 3.44Å; F460-T463 PolarHBondContact O-OG1 3.36Å; F460-T463 VanDerWaalsContact O-OG1 3.08Å; F460-R464 WeakPolarHBondContact O-CB 3.45Å; F460-R464 PolarHBondContact O-N 3.02Å
461	I	40.5	Very low	41.3	Very low	21 Å²	21	70.8 Å²	70.8	11%	0.108	38%	0.379	C	S	.	.	H	α-helix	trans	-69.7	-38.9	175.3	-72.1	161.9	0	0	0	111.1	K385 A457 F458 R464 F465	K385-I461 HydrophobicContact CG-CD1 4.28Å; A457-I461 WeakPolarHBondContact O-CB 3.43Å; A457-I461 VanDerWaalsContact O-CD1 3.32Å; A457-I461 WeakPolarHBondContact O-CD1 3.35Å; A457-I461 WeakPolarHBondContact O-CG1 3.42Å; A457-I461 PolarHBondContact O-N 2.94Å; F458-I461 PolarHBondContact O-N 3.15Å; I461-R464 PolarHBondContact O-N 2.96Å; I461-F465 PolarHBondContact O-N 3.45Å
462	N	37.1	Very low	41.8	Very low	100 Å²	100	68.6 Å²	68.6	54%	0.535	37%	0.365	S	S	.	.	H	α-helix	trans	-67.3	-49.2	178.5	-73.6	-17.4	0	0	0	111.5	F458 R464 F465 D466	F458-N462 PolarHBondContact O-N 2.93Å; F458-N462 PolarHBondContact O-ND2 3.47Å; N462-R464 VanDerWaalsContact C-N 3.28Å; N462-R464 PolarHBondContact O-N 3.31Å; N462-F465 WeakPolarHBondContact O-CB 3.34Å; N462-F465 PolarHBondContact O-N 3.15Å; N462-F465 VanDerWaalsContact O-N 3.08Å; N462-D466 PolarHBondContact O-N 3.49Å
463	T	48	Very low	42.3	Very low	56 Å²	56	68.8 Å²	68.8	34%	0.344	37%	0.373	S	S	.	.	H	α-helix	trans	-59	-39.3	174.2	47.8	0	0	0	0	111.9	A459 F460 D466 H467	A459-T463 WeakPolarHBondContact O-CG2 3.19Å; A459-T463 PolarHBondContact O-N 2.99Å; A459-T463 PolarHBondContact O-OG1 3.05Å; F460-T463 WeakPolarHBondContact CA-OG1 3.44Å; F460-T463 PolarHBondContact O-OG1 3.36Å; F460-T463 VanDerWaalsContact O-OG1 3.08Å; T463-D466 PolarHBondContact O-N 2.96Å; T463-H467 WeakPolarHBondContact O-CB 3.32Å; T463-H467 PolarHBondContact O-CD2 3.44Å; T463-H467 VanDerWaalsContact O-CG 3.26Å; T463-H467 PolarHBondContact O-N 3.23Å
464	R	56.5	Low	43.3	Very low	0 Å²	0	62 Å²	62	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-63.2	-41.5	172.9	175	175	164.1	-122.7	-9.7	113.1	R342 W343 S345 N381 F460 I461 N462 D466 H467 I468	R342-R464 PolarHBondContact O-NH2 2.77Å; W343-R464 HydrophobicContact CH2-CB 4.17Å; W343-R464 HydrophobicContact CZ2-CB 4.39Å; W343-R464 WeakPolarHBondContact O-CD 3.39Å; W343-R464 PolarHBondContact O-NE 2.98Å; S345-R464 PolarHBondContact OG-NH2 2.53Å; N381-R464 VanDerWaalsContact OD1-CZ 3.25Å; N381-R464 PolarHBondContact OD1-NH1 2.98Å; N381-R464 PolarHBondContact OD1-NH2 2.91Å; F460-R464 WeakPolarHBondContact O-CB 3.45Å; F460-R464 PolarHBondContact O-N 3.02Å; I461-R464 PolarHBondContact O-N 2.96Å; N462-R464 VanDerWaalsContact C-N 3.28Å; N462-R464 PolarHBondContact O-N 3.31Å; R464-D466 VanDerWaalsContact C-N 3.32Å; R464-H467 CarbonylContact O-C 3.56Å; R464-H467 PolarHBondContact O-N 3.06Å; R464-I468 HydrophobicContact CG-CD1 3.88Å; R464-I468 VanDerWaalsContact O-CG1 3.29Å; R464-I468 WeakPolarHBondContact O-CG1 3.34Å; R464-I468 PolarHBondContact O-N 3.11Å
465	F	52.1	Low	44.2	Very low	33 Å²	33	60 Å²	60	15%	0.145	33%	0.334	C	S	.	.	H	α-helix	trans	-62.2	-43.3	176.1	-179.9	-100	0	0	0	110.8	F56 R57 Q60 Y377 I461 N462 I468 C469	F56-F465 AromaticContact CD1-CE2 3.93Å; F56-F465 HydrophobicContact CD1-CE2 3.93Å; F56-F465 HydrophobicContact CD1-CZ 4.37Å; F56-F465 HydrophobicContact CE1-CD2 4.08Å; F56-F465 AromaticContact CE1-CE2 3.57Å; F56-F465 HydrophobicContact CE1-CE2 3.57Å; F56-F465 HydrophobicContact CE1-CZ 4.43Å; R57-F465 HydrophobicContact CB-CE1 4.33Å; R57-F465 HydrophobicContact CB-CZ 3.76Å; R57-F465 HydrophobicContact CG-CE1 4Å; R57-F465 HydrophobicContact CG-CZ 3.75Å; Q60-F465 HydrophobicContact CB-CE2 4.48Å; Q60-F465 HydrophobicContact CG-CE2 3.81Å; Y377-F465 HydrophobicContact CE1-CD2 4.02Å; Y377-F465 HydrophobicContact CE1-CE2 4.43Å; Y377-F465 AromaticContact CZ-CD2 3.85Å; Y377-F465 WeakPolarHBondContact OH-CD2 3.47Å; I461-F465 PolarHBondContact O-N 3.45Å; N462-F465 WeakPolarHBondContact O-CB 3.34Å; N462-F465 PolarHBondContact O-N 3.15Å; N462-F465 VanDerWaalsContact O-N 3.08Å; F465-I468 PolarHBondContact O-N 2.96Å; F465-C469 PolarHBondContact O-N 2.98Å; F465-C469 PolarHBondContact O-SG 3.09Å
466	D	49.7	Very low	45.1	Very low	65 Å²	65	55.7 Å²	55.7	35%	0.348	31%	0.312	S	S	.	.	H	α-helix	trans	-63.9	-42.8	174.9	-64.9	-30	0	0	0	111.1	N462 T463 R464 I468 C469 E470	N462-D466 PolarHBondContact O-N 3.49Å; T463-D466 PolarHBondContact O-N 2.96Å; R464-D466 VanDerWaalsContact C-N 3.32Å; D466-I468 VanDerWaalsContact C-N 3.26Å; D466-I468 PolarHBondContact O-N 3.11Å; D466-C469 CarbonylContact O-C 3.58Å; D466-C469 WeakPolarHBondContact O-CA 3.26Å; D466-C469 WeakPolarHBondContact O-CB 3.36Å; D466-C469 PolarHBondContact O-N 3.08Å; D466-E470 WeakPolarHBondContact O-CA 3.46Å; D466-E470 VanDerWaalsContact O-CB 3.23Å; D466-E470 WeakPolarHBondContact O-CB 3.45Å; D466-E470 WeakPolarHBondContact O-CG 3.45Å; D466-E470 PolarHBondContact O-N 2.94Å
467	H	53.4	Low	45.7	Very low	41 Å²	41	54 Å²	54	19%	0.19	30%	0.3	C	S	.	.	H	α-helix	trans	-70	-12.1	173.6	-69.9	-53.4	0	0	0	115.5	W316 T463 R464 E470	W316-H467 HydrophobicContact CH2-CB 3.6Å; W316-H467 HydrophobicContact CZ2-CB 4.23Å; T463-H467 WeakPolarHBondContact O-CB 3.32Å; T463-H467 PolarHBondContact O-CD2 3.44Å; T463-H467 VanDerWaalsContact O-CG 3.26Å; T463-H467 PolarHBondContact O-N 3.23Å; R464-H467 CarbonylContact O-C 3.56Å; R464-H467 PolarHBondContact O-N 3.06Å; H467-E470 CarbonylContact C-O 3.57Å
468	I	53	Low	46.6	Very low	37 Å²	37	53 Å²	53	19%	0.19	29%	0.291	C	S	.	.	H	α-helix	trans	-89.7	-28.9	168.1	-71.5	166.3	0	0	0	109.7	F56 W316 P348 Y377 R464 F465 D466	F56-I468 HydrophobicContact CD1-CG2 4.37Å; F56-I468 HydrophobicContact CE1-CG2 3.67Å; F56-I468 HydrophobicContact CZ-CG2 3.99Å; W316-I468 HydrophobicContact CZ2-CG1 4.15Å; P348-I468 HydrophobicContact CB-CG2 4.45Å; P348-I468 HydrophobicContact CG-CG2 4.3Å; Y377-I468 HydrophobicContact CD2-CD1 3.59Å; Y377-I468 HydrophobicContact CE2-CD1 3.31Å; R464-I468 HydrophobicContact CG-CD1 3.88Å; R464-I468 VanDerWaalsContact O-CG1 3.29Å; R464-I468 WeakPolarHBondContact O-CG1 3.34Å; R464-I468 PolarHBondContact O-N 3.11Å; F465-I468 PolarHBondContact O-N 2.96Å; D466-I468 VanDerWaalsContact C-N 3.26Å; D466-I468 PolarHBondContact O-N 3.11Å
469	C	46.2	Very low	47.7	Very low	54 Å²	54	50.8 Å²	50.8	37%	0.365	28%	0.279	S	S	.	.	H	α-helix	trans	-80.7	-23.7	172.2	-62.9	0	0	0	0	113	F465 D466	F465-C469 PolarHBondContact O-N 2.98Å; F465-C469 PolarHBondContact O-SG 3.09Å; D466-C469 CarbonylContact O-C 3.58Å; D466-C469 WeakPolarHBondContact O-CA 3.26Å; D466-C469 WeakPolarHBondContact O-CB 3.36Å; D466-C469 PolarHBondContact O-N 3.08Å
470	E	45.1	Very low	48.6	Very low	132 Å²	132	53 Å²	53	62%	0.617	29%	0.292	S	S	*	.	S	Bend	trans	-131.2	158.9	-173.6	-60.3	-175.5	172.8	0	0	111.3	D466 H467 I472	D466-E470 WeakPolarHBondContact O-CA 3.46Å; D466-E470 VanDerWaalsContact O-CB 3.23Å; D466-E470 WeakPolarHBondContact O-CB 3.45Å; D466-E470 WeakPolarHBondContact O-CG 3.45Å; D466-E470 PolarHBondContact O-N 2.94Å; H467-E470 CarbonylContact C-O 3.57Å; E470-I472 PolarHBondContact O-N 3.27Å
471	T	39.9	Very low	48.9	Very low	127 Å²	127	56.9 Å²	56.9	78%	0.779	33%	0.325	S	S	*	.			trans	-66.7	125	179.6	-48.1	0	0	0	0	111.2
472	I	43.6	Very low	49.4	Very low	18 Å²	18	58.7 Å²	58.7	9%	0.092	34%	0.336	C	S	.	.			trans	-49.5	139.8	172.1	-56.4	162.4	0	0	0	110.4	W316 E470 S474	W316-I472 HydrophobicContact CD2-CD1 3.6Å; W316-I472 HydrophobicContact CD2-CG1 4.41Å; W316-I472 HydrophobicContact CE3-CD1 4.28Å; W316-I472 HydrophobicContact CG-CD1 3.94Å; W316-I472 HydrophobicContact CH2-CD1 4.26Å; W316-I472 HydrophobicContact CH2-CG1 4.06Å; W316-I472 HydrophobicContact CZ2-CD1 3.54Å; W316-I472 HydrophobicContact CZ2-CG1 3.62Å; E470-I472 PolarHBondContact O-N 3.27Å; I472-S474 PolarHBondContact O-N 3.44Å
473	T	41.1	Very low	50	Low	87 Å²	87	56.5 Å²	56.5	53%	0.534	33%	0.326	S	S	.	.			trans	-62.1	98.2	164.6	43	0	0	0	0	109	V475	T473-V475 PolarHBondContact O-N 2.97Å
474	S	53.7	Low	50.1	Low	26 Å²	26	56.5 Å²	56.5	18%	0.182	33%	0.325	C	S	.	.			trans	-74.1	-0.9	-172.6	60.6	0	0	0	0	114.6	N179 V180 I472	N179-S474 WeakPolarHBondContact CA-O 3.48Å; N179-S474 WeakPolarHBondContact OD1-CB 3.06Å; N179-S474 PolarHBondContact OD1-OG 3.11Å; V180-S474 PolarHBondContact N-O 2.98Å; I472-S474 PolarHBondContact O-N 3.44Å
475	V	49.6	Very low	49.7	Very low	65 Å²	65	59.8 Å²	59.8	39%	0.394	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	111.9	-174.1	-159.9	0	0	0	0	109.4	P177 V178 I439 T473	P177-V475 HydrophobicContact CB-CG1 3.54Å; V178-V475 WeakPolarHBondContact O-CA 3.48Å; I439-V475 HydrophobicContact CD1-CB 3.82Å; I439-V475 HydrophobicContact CD1-CG1 3.56Å; I439-V475 VanDerWaalsContact CD1-O 3.27Å; I439-V475 WeakPolarHBondContact CD1-O 3.42Å; T473-V475 PolarHBondContact O-N 2.97Å
476	I	54	Low	49.6	Very low	4 Å²	4	61.5 Å²	61.5	2%	0.021	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	148.9	177.4	-58.5	178.2	0	0	0	107.4	V178 V180 C318 D319 A322 I436 Q437	V178-I476 PolarHBondContact N-O 3.23Å; V178-I476 PolarHBondContact O-N 3.34Å; V178-I476 VanDerWaalsContact O-N 3.16Å; V180-I476 HydrophobicContact CG2-CB 3.94Å; V180-I476 HydrophobicContact CG2-CD1 4.23Å; V180-I476 HydrophobicContact CG2-CG1 4.26Å; C318-I476 HydrophobicContact CB-CD1 3.98Å; D319-I476 HydrophobicContact CB-CD1 4.19Å; A322-I476 HydrophobicContact CB-CG2 4.02Å; I436-I476 HydrophobicContact CG2-CG2 3.47Å; I436-I476 VanDerWaalsContact CG2-CG2 3.47Å; Q437-I476 WeakPolarHBondContact O-CG2 3.41Å
477	T	52.6	Low	49.6	Very low	7 Å²	7	61.3 Å²	61.3	4%	0.043	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	125.2	174	-53.1	0	0	0	0	109.6	G175 Q437 I439 Y479	G175-T477 WeakPolarHBondContact O-CG2 3.21Å; Q437-T477 PolarHBondContact N-O 2.87Å; Q437-T477 PolarHBondContact O-N 2.85Å; Q437-T477 VanDerWaalsContact O-N 3.1Å; Q437-T477 VanDerWaalsContact O-O 3.05Å; I439-T477 WeakPolarHBondContact CG1-OG1 3.31Å; T477-Y479 HydrophobicContact CG2-CD2 4.06Å; T477-Y479 HydrophobicContact CG2-CE1 4.06Å; T477-Y479 HydrophobicContact CG2-CE2 3.43Å; T477-Y479 VanDerWaalsContact CG2-CE2 3.43Å; T477-Y479 VanDerWaalsContact CG2-CZ 3.44Å
478	I	57.1	Low	49.3	Very low	4 Å²	4	62.7 Å²	62.7	2%	0.021	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	109.5	-179.9	-61.3	-175.4	0	0	0	107.8	L170 G175 V178 V180 F434 I436	L170-I478 HydrophobicContact CD1-CD1 4.35Å; L170-I478 HydrophobicContact CD2-CB 4.47Å; L170-I478 HydrophobicContact CD2-CD1 3.74Å; L170-I478 HydrophobicContact CD2-CG2 4.48Å; G175-I478 WeakPolarHBondContact CA-O 3.42Å; V178-I478 HydrophobicContact CG2-CD1 3.79Å; V178-I478 HydrophobicContact CG2-CG1 4.07Å; V180-I478 HydrophobicContact CG2-CD1 4.2Å; F434-I478 HydrophobicContact CB-CG2 3.37Å; F434-I478 HydrophobicContact CD1-CG2 3.57Å; F434-I478 HydrophobicContact CD2-CG2 4.23Å; F434-I478 HydrophobicContact CE1-CG2 4.41Å; F434-I478 HydrophobicContact CG-CG2 3.46Å; F434-I478 VanDerWaalsContact CG-CG2 3.46Å; I436-I478 HydrophobicContact CG2-CG1 4.46Å
479	Y	51.9	Low	49	Very low	95 Å²	95	64.7 Å²	64.7	37%	0.373	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	142.3	176.7	-64.1	-83.6	0	0	0	109.5	F434 L435 Q437 T477 S481	F434-Y479 CarbonylContact C-O 3.2Å; F434-Y479 WeakPolarHBondContact CA-O 3.23Å; F434-Y479 WeakPolarHBondContact CB-O 3.46Å; F434-Y479 WeakPolarHBondContact CD1-O 3.36Å; L435-Y479 PolarHBondContact N-O 3.16Å; L435-Y479 PolarHBondContact O-N 3.29Å; Q437-Y479 HydrophobicContact CB-CD2 4.22Å; Q437-Y479 HydrophobicContact CB-CE2 4.04Å; Q437-Y479 HydrophobicContact CG-CD2 4.15Å; Q437-Y479 HydrophobicContact CG-CE2 4.3Å; T477-Y479 HydrophobicContact CG2-CD2 4.06Å; T477-Y479 HydrophobicContact CG2-CE1 4.06Å; T477-Y479 HydrophobicContact CG2-CE2 3.43Å; T477-Y479 VanDerWaalsContact CG2-CE2 3.43Å; T477-Y479 VanDerWaalsContact CG2-CZ 3.44Å; Y479-S481 PolarHBondContact O-N 3.19Å
480	S	52.6	Low	49.2	Very low	89 Å²	89	65.6 Å²	65.6	62%	0.622	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.8	134	165.5	54.3	0	0	0	0	108.7
481	S	49.8	Very low	49.6	Very low	133 Å²	133	59.5 Å²	59.5	93%	0.93	36%	0.363	S	S	*	.			trans	-57.4	0	174.7	60.3	0	0	0	0	112.4	E433 Y479	E433-S481 PolarHBondContact O-N 2.82Å; E433-S481 VanDerWaalsContact O-N 3.13Å; E433-S481 PolarHBondContact O-OG 3.36Å; Y479-S481 PolarHBondContact O-N 3.19Å

Retrieved 481 of 481 residues in 770.6 ms (Link to these results)

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