A0A087Y472_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087Y472, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 479 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38	Very low	80.2	Confident	242 Å²	242	97.5 Å²	97.5	100%	1.192	52%	0.515	S	S	*	.				0	112.1	0	-73.6	166.3	177.1	0	0	105.7
2	S	50.8	Low	81.4	Confident	103 Å²	103	89.7 Å²	89.7	72%	0.72	47%	0.474	S	S	*	.			trans	-74	125.6	178.4	41.8	0	0	0	0	109.2	V4	S2-V4 PolarHBondContact O-N 3.49Å
3	D	66.9	Low	82.3	Confident	141 Å²	141	87.2 Å²	87.2	75%	0.754	46%	0.458	S	S	*	.			trans	-59.4	123.5	174	-71.8	-34.4	0	0	0	109.8	T5 T31	D3-T5 HydrophobicContact CB-CG2 4.42Å; D3-T5 PolarHBondContact O-N 2.85Å; D3-T31 PolarHBondContact O-OG1 2.91Å
4	V	79.6	Confident	82.8	Confident	81 Å²	81	81.6 Å²	81.6	49%	0.491	43%	0.428	S	S	.	.			trans	-78.6	111.1	176.1	-178.3	0	0	0	0	107.8	S2 K30 T31 D32	S2-V4 PolarHBondContact O-N 3.49Å; V4-K30 HydrophobicContact CG1-CB 3.98Å; V4-K30 HydrophobicContact CG1-CD 3.93Å; V4-K30 HydrophobicContact CG1-CG 4.42Å; V4-T31 WeakPolarHBondContact CA-OG1 3.49Å; V4-D32 HydrophobicContact CG1-CB 4.13Å; V4-D32 HydrophobicContact CG2-CB 4.12Å
5	T	88.8	Confident	82.9	Confident	77 Å²	77	80.5 Å²	80.5	47%	0.472	42%	0.416	S	S	.	.			trans	-119.4	158.2	-178.3	58.1	0	0	0	0	110.8	D3 K30 T31	D3-T5 HydrophobicContact CB-CG2 4.42Å; D3-T5 PolarHBondContact O-N 2.85Å; T5-K30 CarbonylContact O-C 3.55Å; T5-K30 VanDerWaalsContact O-CA 3.27Å; T5-K30 WeakPolarHBondContact O-CA 3.45Å; T5-T31 PolarHBondContact N-OG1 2.95Å; T5-T31 PolarHBondContact O-N 2.93Å; T5-T31 WeakPolarHBondContact OG1-CG2 3.48Å
6	I	90.3	Very high	82	Confident	87 Å²	87	75.9 Å²	75.9	45%	0.446	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	124.6	175.7	-61.8	169.4	0	0	0	108.4	E9 L28 K30	I6-E9 HydrophobicContact CG2-CB 4.12Å; I6-E9 HydrophobicContact CG2-CG 4.35Å; I6-L28 HydrophobicContact CD1-CD1 4.35Å; I6-L28 HydrophobicContact CD1-CD2 4.29Å; I6-K30 HydrophobicContact CG1-CG 4.5Å
7	V	92.7	Very high	80.9	Confident	58 Å²	58	74.8 Å²	74.8	35%	0.352	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-41.8	175.9	178.1	0	0	0	0	110.6	L29 T31 V105	V7-L29 HydrophobicContact CB-CD2 4.31Å; V7-L29 HydrophobicContact CB-CG 4.26Å; V7-L29 HydrophobicContact CG1-CD2 4.23Å; V7-L29 PolarHBondContact N-O 3.12Å; V7-T31 HydrophobicContact CG2-CG2 3.49Å; V7-T31 VanDerWaalsContact CG2-CG2 3.49Å; V7-V105 HydrophobicContact CB-CG2 4.24Å; V7-V105 HydrophobicContact CG1-CG2 4Å; V7-V105 HydrophobicContact CG2-CG2 3.87Å
8	R	93.3	Very high	79.6	Confident	55 Å²	55	76 Å²	76	21%	0.208	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	145.6	177.6	-170.6	170.7	175.4	97.9	-2.3	110.1	L29 E97 W98 A101	R8-L29 HydrophobicContact CB-CB 4.34Å; R8-L29 PolarHBondContact N-O 3.33Å; R8-L29 PolarHBondContact O-N 3.32Å; R8-E97 IonicContact CZ-OE2 3.21Å; R8-E97 IonicContact NH1-OE2 2.83Å; R8-E97 PolarHBondContact NH1-OE2 2.92Å; R8-E97 VanDerWaalsContact NH2-CB 3.34Å; R8-E97 IonicContact NH2-OE2 2.69Å; R8-E97 PolarHBondContact NH2-OE2 2.85Å; R8-W98 HydrophobicContact CB-CE3 4.49Å; R8-W98 HydrophobicContact CB-CH2 4.4Å; R8-W98 HydrophobicContact CB-CZ3 4.01Å; R8-W98 HydrophobicContact CG-CD2 4.34Å; R8-W98 HydrophobicContact CG-CE3 4.02Å; R8-W98 HydrophobicContact CG-CH2 3.88Å; R8-W98 HydrophobicContact CG-CZ2 4.2Å; R8-W98 HydrophobicContact CG-CZ3 3.75Å; R8-W98 VanDerWaalsContact NE-CD2 3.31Å; R8-A101 HydrophobicContact CB-CB 4.28Å
9	E	94.2	Very high	78.6	Confident	82 Å²	82	73.5 Å²	73.5	38%	0.383	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	153.9	172.5	57.3	165.1	175.7	0	0	111.5	I6 Y26 F27 L28 K41	I6-E9 HydrophobicContact CG2-CB 4.12Å; I6-E9 HydrophobicContact CG2-CG 4.35Å; E9-Y26 HydrophobicContact CB-CE1 3.98Å; E9-Y26 WeakPolarHBondContact OE2-CE1 3.49Å; E9-Y26 VanDerWaalsContact OE2-CZ 3.31Å; E9-Y26 PolarHBondContact OE2-OH 3.17Å; E9-F27 CarbonylContact C-O 3.16Å; E9-F27 WeakPolarHBondContact CA-O 3.45Å; E9-L28 HydrophobicContact CB-CD2 3.47Å; E9-L28 VanDerWaalsContact CB-CD2 3.47Å; E9-K41 IonicContact OE1-NZ 3.53Å; E9-K41 IonicContact OE2-NZ 3.63Å
10	G	93.8	Very high	78.4	Confident	15 Å²	15	76.9 Å²	76.9	16%	0.155	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.6	176.1	176	0	0	0	0	0	113.9	F27	G10-F27 PolarHBondContact N-O 3.08Å; G10-F27 PolarHBondContact O-N 3.08Å
11	W	94	Very high	78.3	Confident	131 Å²	131	75.8 Å²	75.8	50%	0.496	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	136.1	178	-71.8	99.7	0	0	0	111.6	P24 R25 Y26 K39	W11-P24 HydrophobicContact CE3-CB 4.01Å; W11-P24 HydrophobicContact CZ3-CB 4.08Å; W11-R25 WeakPolarHBondContact CA-O 3.31Å; W11-R25 VanDerWaalsContact CE3-C 3.41Å; W11-Y26 AromaticContact CD1-CD2 3.82Å; W11-Y26 AromaticContact CD2-CD2 3.95Å; W11-Y26 HydrophobicContact CD2-CD2 3.95Å; W11-Y26 AromaticContact CE2-CD2 3.72Å; W11-Y26 HydrophobicContact CG-CD2 4.03Å; W11-Y26 HydrophobicContact CZ2-CD2 4.28Å; W11-Y26 AromaticContact NE1-CD2 3.63Å; W11-K39 WeakPolarHBondContact CH2-O 3.31Å
12	L	94.3	Very high	80.5	Confident	4 Å²	4	66.7 Å²	66.7	2%	0.021	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	147.9	169.3	-65.1	175.3	0	0	0	109.6	K14 R25 F27 F35 F72 F87 V89 W98	L12-K14 PolarHBondContact O-N 2.94Å; L12-R25 PolarHBondContact N-O 2.76Å; L12-R25 PolarHBondContact O-N 3.43Å; L12-F27 HydrophobicContact CB-CD2 3.75Å; L12-F27 HydrophobicContact CB-CE2 4.14Å; L12-F27 HydrophobicContact CD1-CB 3.94Å; L12-F27 HydrophobicContact CD1-CD2 3.77Å; L12-F27 HydrophobicContact CD1-CE2 4.42Å; L12-F27 HydrophobicContact CD1-CG 3.88Å; L12-F27 HydrophobicContact CG-CB 4.47Å; L12-F27 HydrophobicContact CG-CD2 4.1Å; L12-F35 HydrophobicContact CD1-CE1 4.43Å; L12-F35 HydrophobicContact CD1-CE2 4.44Å; L12-F35 HydrophobicContact CD1-CZ 3.59Å; L12-F72 HydrophobicContact CD1-CZ 4.03Å; L12-F72 HydrophobicContact CD2-CE1 4.1Å; L12-F72 HydrophobicContact CD2-CZ 4.04Å; L12-F87 HydrophobicContact CB-CD1 4.37Å; L12-F87 HydrophobicContact CD1-CD1 4.12Å; L12-V89 HydrophobicContact CD2-CG1 3.24Å; L12-W98 HydrophobicContact CD1-CD2 4.27Å; L12-W98 HydrophobicContact CD1-CE3 4.45Å; L12-W98 HydrophobicContact CD1-CH2 4.47Å; L12-W98 HydrophobicContact CD1-CZ2 4.29Å; L12-W98 HydrophobicContact CD2-CD2 4.12Å; L12-W98 HydrophobicContact CD2-CG 4.09Å; L12-W98 HydrophobicContact CD2-CZ2 4.31Å; L12-W98 HydrophobicContact CG-CZ2 4.14Å
13	Q	92.9	Very high	82	Confident	57 Å²	57	62.8 Å²	62.8	27%	0.266	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	104	166	-64.5	-71.8	-21.6	0	0	108.3	W22 R23 F87 H88	Q13-W22 HydrophobicContact CB-CE3 3.99Å; Q13-W22 WeakPolarHBondContact O-CZ3 3.41Å; Q13-R23 CarbonylContact C-O 3.52Å; Q13-R23 WeakPolarHBondContact CA-O 3.35Å; Q13-R23 VanDerWaalsContact OE1-C 3.25Å; Q13-F87 CarbonylContact O-C 3.53Å; Q13-F87 VanDerWaalsContact O-CA 3.31Å; Q13-F87 WeakPolarHBondContact O-CA 3.42Å; Q13-H88 HydrophobicContact CB-CB 4.05Å; Q13-H88 WeakPolarHBondContact CB-O 3.32Å; Q13-H88 PolarHBondContact N-O 3.3Å; Q13-H88 PolarHBondContact O-N 2.73Å
14	K	89.5	Confident	83.1	Confident	9 Å²	9	59.1 Å²	59.1	4%	0.039	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	131.6	172.2	-172	-161.8	173.5	-161.8	0	108.7	L12 E17 R23 R25 F27 N52 F87	L12-K14 PolarHBondContact O-N 2.94Å; K14-E17 IonicContact NZ-OE1 3.77Å; K14-E17 PolarHBondContact NZ-OE1 3.26Å; K14-R23 PolarHBondContact N-O 2.94Å; K14-R23 PolarHBondContact O-N 2.86Å; K14-R25 HydrophobicContact CB-CG 4.38Å; K14-F27 HydrophobicContact CB-CE2 4.26Å; K14-F27 HydrophobicContact CB-CZ 4.4Å; K14-F27 HydrophobicContact CD-CZ 4.47Å; K14-N52 WeakPolarHBondContact CD-OD1 3.29Å; K14-N52 WeakPolarHBondContact CE-OD1 3.4Å; K14-N52 PolarHBondContact NZ-OD1 3.3Å; K14-F87 HydrophobicContact CB-CD1 4.26Å; K14-F87 HydrophobicContact CB-CE1 4.13Å; K14-F87 HydrophobicContact CG-CD1 4.33Å; K14-F87 HydrophobicContact CG-CE1 3.84Å
15	R	84.3	Confident	83.5	Confident	65 Å²	65	56.1 Å²	56.1	25%	0.245	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	128.5	166.5	-161.5	179.6	-176.9	-170.5	2.3	109.6	N21 W22 T86	R15-N21 WeakPolarHBondContact CA-O 3.14Å; R15-W22 HydrophobicContact CB-CD2 4.32Å; R15-W22 HydrophobicContact CB-CE3 3.87Å; R15-W22 HydrophobicContact CB-CH2 4.21Å; R15-W22 HydrophobicContact CB-CZ3 3.78Å; R15-W22 HydrophobicContact CG-CD2 4.46Å; R15-W22 HydrophobicContact CG-CE3 4.49Å; R15-T86 HydrophobicContact CB-CG2 4.29Å; R15-T86 PolarHBondContact N-O 3.37Å
16	G	69.4	Low	83.6	Confident	8 Å²	8	53.1 Å²	53.1	8%	0.082	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-61.2	146.1	171.4	0	0	0	0	0	111.1	I19 N21	G16-I19 CarbonylContact C-O 3.51Å; G16-I19 WeakPolarHBondContact CA-O 3.16Å; G16-N21 PolarHBondContact N-O 2.86Å
17	E	63.2	Low	83.6	Confident	56 Å²	56	49 Å²	49	26%	0.262	23%	0.226	S	C	.	.	S	Bend	trans	-79.9	-38.1	-173	-58.2	155.9	-151.2	0	0	110.4	K14 R85 D320	K14-E17 IonicContact NZ-OE1 3.77Å; K14-E17 PolarHBondContact NZ-OE1 3.26Å; E17-R85 IonicContact OE1-CZ 3.24Å; E17-R85 IonicContact OE1-NE 3.46Å; E17-R85 PolarHBondContact OE1-NE 3.34Å; E17-R85 IonicContact OE1-NH1 2.72Å; E17-R85 PolarHBondContact OE1-NH1 3.37Å; E17-R85 VanDerWaalsContact OE1-NH1 3.09Å; E17-R85 IonicContact OE1-NH2 2.93Å; E17-R85 PolarHBondContact OE1-NH2 3.13Å; E17-R85 IonicContact OE2-CZ 2.78Å; E17-R85 IonicContact OE2-NH1 2.86Å; E17-R85 PolarHBondContact OE2-NH1 3.41Å; E17-R85 IonicContact OE2-NH2 2.82Å; E17-R85 PolarHBondContact OE2-NH2 2.71Å; E17-D320 WeakPolarHBondContact CA-OD2 3.22Å; E17-D320 WeakPolarHBondContact CB-OD2 3.42Å; E17-D320 WeakPolarHBondContact CG-OD2 3.31Å; E17-D320 PolarHBondContact N-OD2 3.36Å
18	Y	57.1	Low	83.5	Confident	97 Å²	97	46.5 Å²	46.5	38%	0.38	21%	0.211	S	C	.	.	S	Bend	trans	-100.1	-43.3	-178.9	-52.7	-82.2	0	0	0	112	F306 D320	Y18-F306 HydrophobicContact CD1-CB 4.02Å; Y18-F306 AromaticContact CD1-CD1 3.67Å; Y18-F306 HydrophobicContact CD1-CD1 3.67Å; Y18-F306 AromaticContact CD1-CD2 3.88Å; Y18-F306 HydrophobicContact CD1-CD2 3.88Å; Y18-F306 HydrophobicContact CD1-CE1 4.04Å; Y18-F306 HydrophobicContact CD1-CE2 4.21Å; Y18-F306 AromaticContact CD1-CG 3.59Å; Y18-F306 HydrophobicContact CD1-CG 3.59Å; Y18-F306 HydrophobicContact CD1-CZ 4.3Å; Y18-F306 HydrophobicContact CD2-CB 3.95Å; Y18-F306 AromaticContact CD2-CD2 3.53Å; Y18-F306 HydrophobicContact CD2-CD2 3.53Å; Y18-F306 HydrophobicContact CD2-CE2 4.17Å; Y18-F306 AromaticContact CD2-CG 3.84Å; Y18-F306 HydrophobicContact CD2-CG 3.84Å; Y18-F306 HydrophobicContact CE1-CB 3.44Å; Y18-F306 VanDerWaalsContact CE1-CB 3.44Å; Y18-F306 AromaticContact CE1-CD1 3.71Å; Y18-F306 HydrophobicContact CE1-CD1 3.71Å; Y18-F306 HydrophobicContact CE1-CD2 4.21Å; Y18-F306 AromaticContact CE1-CG 3.54Å; Y18-F306 HydrophobicContact CE1-CG 3.54Å; Y18-F306 HydrophobicContact CE2-CB 3.41Å; Y18-F306 VanDerWaalsContact CE2-CB 3.41Å; Y18-F306 AromaticContact CE2-CD2 3.93Å; Y18-F306 HydrophobicContact CE2-CD2 3.93Å; Y18-F306 AromaticContact CE2-CG 3.84Å; Y18-F306 HydrophobicContact CE2-CG 3.84Å; Y18-F306 HydrophobicContact CG-CB 4.24Å; Y18-F306 HydrophobicContact CG-CD1 4.19Å; Y18-F306 AromaticContact CG-CD2 3.52Å; Y18-F306 HydrophobicContact CG-CD2 3.52Å; Y18-F306 HydrophobicContact CG-CE1 4.44Å; Y18-F306 AromaticContact CG-CE2 3.79Å; Y18-F306 HydrophobicContact CG-CE2 3.79Å; Y18-F306 AromaticContact CG-CG 3.74Å; Y18-F306 HydrophobicContact CG-CG 3.74Å; Y18-F306 HydrophobicContact CG-CZ 4.26Å; Y18-F306 AromaticContact CZ-CG 3.68Å; Y18-F306 WeakPolarHBondContact OH-CB 3.44Å; Y18-D320 VanDerWaalsContact CD2-CG 3.46Å; Y18-D320 WeakPolarHBondContact CD2-OD1 3.38Å; Y18-D320 WeakPolarHBondContact CD2-OD2 3.37Å; Y18-D320 WeakPolarHBondContact CE2-OD1 3.44Å
19	I	61.1	Low	83.5	Confident	28 Å²	28	43.9 Å²	43.9	14%	0.144	20%	0.201	C	C	.	.	S	Bend	trans	-97	111.5	169.8	-56	169.9	0	0	0	107.4	G16 N21 L318 F355 L359	G16-I19 CarbonylContact C-O 3.51Å; G16-I19 WeakPolarHBondContact CA-O 3.16Å; I19-N21 HydrophobicContact CG2-CB 4.16Å; I19-N21 PolarHBondContact O-N 2.81Å; I19-N21 PolarHBondContact O-OD1 3.11Å; I19-L318 HydrophobicContact CD1-CB 4.02Å; I19-F355 HydrophobicContact CD1-CB 3.68Å; I19-F355 HydrophobicContact CD1-CD2 4.24Å; I19-F355 HydrophobicContact CD1-CG 4.16Å; I19-F355 HydrophobicContact CG1-CB 4.1Å; I19-F355 HydrophobicContact CG1-CD2 3.77Å; I19-F355 HydrophobicContact CG1-CG 4.2Å; I19-L359 HydrophobicContact CD1-CD1 3.46Å; I19-L359 VanDerWaalsContact CD1-CD1 3.46Å; I19-L359 HydrophobicContact CD1-CG 4.48Å
20	K	73.3	Confident	83.3	Confident	141 Å²	141	42.7 Å²	42.7	61%	0.613	20%	0.195	S	C	*	.			trans	-72	32.6	-174	-68.9	176.4	179.1	171.4	0	114.1
21	N	77.3	Confident	83.1	Confident	55 Å²	55	43.6 Å²	43.6	29%	0.294	20%	0.197	S	C	.	.			trans	-88.8	158.6	174.6	67.3	-5.4	0	0	0	111.9	R15 G16 I19 R23	R15-N21 WeakPolarHBondContact CA-O 3.14Å; G16-N21 PolarHBondContact N-O 2.86Å; I19-N21 HydrophobicContact CG2-CB 4.16Å; I19-N21 PolarHBondContact O-N 2.81Å; I19-N21 PolarHBondContact O-OD1 3.11Å; N21-R23 PolarHBondContact ND2-NE 3.43Å; N21-R23 PolarHBondContact ND2-NH2 2.8Å; N21-R23 PolarHBondContact OD1-NE 3.15Å; N21-R23 PolarHBondContact OD1-NH2 2.77Å
22	W	83.1	Confident	82.7	Confident	51 Å²	51	40.6 Å²	40.6	19%	0.193	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	132.3	176.7	-66.2	98.1	0	0	0	109.6	Q13 R15 P67 K68 T71 T86 H88	Q13-W22 HydrophobicContact CB-CE3 3.99Å; Q13-W22 WeakPolarHBondContact O-CZ3 3.41Å; R15-W22 HydrophobicContact CB-CD2 4.32Å; R15-W22 HydrophobicContact CB-CE3 3.87Å; R15-W22 HydrophobicContact CB-CH2 4.21Å; R15-W22 HydrophobicContact CB-CZ3 3.78Å; R15-W22 HydrophobicContact CG-CD2 4.46Å; R15-W22 HydrophobicContact CG-CE3 4.49Å; W22-P67 HydrophobicContact CZ2-CG 3.91Å; W22-K68 HydrophobicContact CD2-CD 4.49Å; W22-K68 HydrophobicContact CG-CD 4.5Å; W22-K68 HydrophobicContact CZ2-CB 4.13Å; W22-K68 HydrophobicContact CZ2-CD 4.34Å; W22-K68 HydrophobicContact CZ2-CG 4.32Å; W22-T71 HydrophobicContact CH2-CG2 4.08Å; W22-T86 HydrophobicContact CH2-CG2 3.74Å; W22-T86 HydrophobicContact CZ3-CG2 4.26Å; W22-H88 HydrophobicContact CD2-CB 4.43Å; W22-H88 HydrophobicContact CE3-CB 3.79Å; W22-H88 HydrophobicContact CH2-CB 3.51Å; W22-H88 HydrophobicContact CZ2-CB 4.21Å; W22-H88 HydrophobicContact CZ3-CB 3.31Å
23	R	84	Confident	82.2	Confident	21 Å²	21	40.4 Å²	40.4	8%	0.079	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	130	-176.2	-55.8	179.1	-172.2	-145.2	-5	110.3	Q13 K14 N21 R25 E319	Q13-R23 CarbonylContact C-O 3.52Å; Q13-R23 WeakPolarHBondContact CA-O 3.35Å; Q13-R23 VanDerWaalsContact OE1-C 3.25Å; K14-R23 PolarHBondContact N-O 2.94Å; K14-R23 PolarHBondContact O-N 2.86Å; N21-R23 PolarHBondContact ND2-NE 3.43Å; N21-R23 PolarHBondContact ND2-NH2 2.8Å; N21-R23 PolarHBondContact OD1-NE 3.15Å; N21-R23 PolarHBondContact OD1-NH2 2.77Å; R23-R25 PolarHBondContact O-N 3.15Å; R23-E319 IonicContact CZ-OE1 3.79Å; R23-E319 VanDerWaalsContact NH1-CB 3.28Å; R23-E319 IonicContact NH1-OE1 3.78Å; R23-E319 PolarHBondContact NH1-OE1 2.88Å; R23-E319 IonicContact NH1-OE2 3.74Å
24	P	89.8	Confident	81.8	Confident	64 Å²	64	38.9 Å²	38.9	42%	0.416	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	133.2	173.7	27.7	-32.8	0	0	0	109.7	W11	W11-P24 HydrophobicContact CE3-CB 4.01Å; W11-P24 HydrophobicContact CZ3-CB 4.08Å
25	R	88	Confident	81.7	Confident	17 Å²	17	38.5 Å²	38.5	6%	0.064	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	141.2	174.5	-66.7	-65.4	-178.4	-95.2	7	108.9	W11 L12 K14 R23 F27 Y38	W11-R25 WeakPolarHBondContact CA-O 3.31Å; W11-R25 VanDerWaalsContact CE3-C 3.41Å; L12-R25 PolarHBondContact N-O 2.76Å; L12-R25 PolarHBondContact O-N 3.43Å; K14-R25 HydrophobicContact CB-CG 4.38Å; R23-R25 PolarHBondContact O-N 3.15Å; R25-F27 HydrophobicContact CB-CD2 3.9Å; R25-F27 HydrophobicContact CB-CE2 3.47Å; R25-F27 VanDerWaalsContact CB-CE2 3.47Å; R25-F27 HydrophobicContact CB-CZ 4.32Å; R25-F27 HydrophobicContact CG-CE2 4.33Å; R25-Y38 CarbonylContact C-O 3.56Å; R25-Y38 VanDerWaalsContact CA-O 3.24Å; R25-Y38 WeakPolarHBondContact CA-O 3.31Å; R25-Y38 WeakPolarHBondContact CB-O 3.38Å; R25-Y38 WeakPolarHBondContact CD-O 3.47Å
26	Y	89.5	Confident	81.6	Confident	14 Å²	14	35.9 Å²	35.9	6%	0.055	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	112.8	175.3	-165.9	-90.2	0	0	0	108.9	E9 W11 L28 G37 Y38 K41	E9-Y26 HydrophobicContact CB-CE1 3.98Å; E9-Y26 WeakPolarHBondContact OE2-CE1 3.49Å; E9-Y26 VanDerWaalsContact OE2-CZ 3.31Å; E9-Y26 PolarHBondContact OE2-OH 3.17Å; W11-Y26 AromaticContact CD1-CD2 3.82Å; W11-Y26 AromaticContact CD2-CD2 3.95Å; W11-Y26 HydrophobicContact CD2-CD2 3.95Å; W11-Y26 AromaticContact CE2-CD2 3.72Å; W11-Y26 HydrophobicContact CG-CD2 4.03Å; W11-Y26 HydrophobicContact CZ2-CD2 4.28Å; W11-Y26 AromaticContact NE1-CD2 3.63Å; Y26-L28 HydrophobicContact CD1-CD2 4.09Å; Y26-L28 HydrophobicContact CE1-CD2 3.68Å; Y26-G37 CarbonylContact O-C 3.44Å; Y26-G37 WeakPolarHBondContact O-CA 3.33Å; Y26-Y38 PolarHBondContact N-O 3.44Å; Y26-Y38 WeakPolarHBondContact O-CD2 3.25Å; Y26-Y38 PolarHBondContact O-N 3.08Å; Y26-K41 HydrophobicContact CD1-CB 4.18Å; Y26-K41 HydrophobicContact CD1-CG 4.08Å; Y26-K41 HydrophobicContact CD2-CB 4Å; Y26-K41 HydrophobicContact CD2-CG 4.34Å; Y26-K41 HydrophobicContact CE1-CB 4.29Å; Y26-K41 HydrophobicContact CE1-CD 4.1Å; Y26-K41 HydrophobicContact CE1-CG 3.73Å; Y26-K41 HydrophobicContact CE2-CB 4.12Å; Y26-K41 HydrophobicContact CE2-CD 3.83Å; Y26-K41 HydrophobicContact CE2-CG 4.02Å; Y26-K41 HydrophobicContact CG-CB 4.01Å; Y26-K41 HydrophobicContact CG-CG 4.35Å; Y26-K41 WeakPolarHBondContact OH-CD 3.32Å; Y26-K41 WeakPolarHBondContact OH-CE 3.08Å; Y26-K41 PolarHBondContact OH-NZ 3.4Å
27	F	91.6	Very high	82.2	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	143.3	-176.6	-83.8	-94.3	0	0	0	112.6	E9 G10 L12 K14 R25 F35 I36 N52 F54 F87 W98	E9-F27 CarbonylContact C-O 3.16Å; E9-F27 WeakPolarHBondContact CA-O 3.45Å; G10-F27 PolarHBondContact N-O 3.08Å; G10-F27 PolarHBondContact O-N 3.08Å; L12-F27 HydrophobicContact CB-CD2 3.75Å; L12-F27 HydrophobicContact CB-CE2 4.14Å; L12-F27 HydrophobicContact CD1-CB 3.94Å; L12-F27 HydrophobicContact CD1-CD2 3.77Å; L12-F27 HydrophobicContact CD1-CE2 4.42Å; L12-F27 HydrophobicContact CD1-CG 3.88Å; L12-F27 HydrophobicContact CG-CB 4.47Å; L12-F27 HydrophobicContact CG-CD2 4.1Å; K14-F27 HydrophobicContact CB-CE2 4.26Å; K14-F27 HydrophobicContact CB-CZ 4.4Å; K14-F27 HydrophobicContact CD-CZ 4.47Å; R25-F27 HydrophobicContact CB-CD2 3.9Å; R25-F27 HydrophobicContact CB-CE2 3.47Å; R25-F27 VanDerWaalsContact CB-CE2 3.47Å; R25-F27 HydrophobicContact CB-CZ 4.32Å; R25-F27 HydrophobicContact CG-CE2 4.33Å; F27-F35 HydrophobicContact CB-CE2 3.71Å; F27-F35 HydrophobicContact CB-CZ 3.94Å; F27-F35 HydrophobicContact CD1-CD1 4.1Å; F27-F35 HydrophobicContact CD1-CD2 4.07Å; F27-F35 AromaticContact CD1-CE1 3.73Å; F27-F35 HydrophobicContact CD1-CE1 3.73Å; F27-F35 AromaticContact CD1-CE2 3.73Å; F27-F35 HydrophobicContact CD1-CE2 3.73Å; F27-F35 HydrophobicContact CD1-CG 4.24Å; F27-F35 AromaticContact CD1-CZ 3.54Å; F27-F35 HydrophobicContact CD1-CZ 3.54Å; F27-F35 HydrophobicContact CE1-CD1 4.31Å; F27-F35 HydrophobicContact CE1-CE1 4.02Å; F27-F35 HydrophobicContact CE1-CZ 4.26Å; F27-F35 HydrophobicContact CG-CE1 4.43Å; F27-F35 HydrophobicContact CG-CE2 4.04Å; F27-F35 AromaticContact CG-CZ 3.86Å; F27-F35 HydrophobicContact CG-CZ 3.86Å; F27-I36 CarbonylContact C-O 3.41Å; F27-I36 WeakPolarHBondContact CA-O 3.28Å; F27-N52 HydrophobicContact CE1-CB 4.04Å; F27-N52 HydrophobicContact CZ-CB 4.15Å; F27-F54 HydrophobicContact CE1-CE1 4.26Å; F27-F87 AromaticContact CE1-CE1 3.98Å; F27-F87 HydrophobicContact CE1-CE1 3.98Å; F27-F87 HydrophobicContact CE1-CZ 4.45Å; F27-F87 HydrophobicContact CE2-CD1 4.29Å; F27-F87 AromaticContact CE2-CE1 3.87Å; F27-F87 HydrophobicContact CE2-CE1 3.87Å; F27-F87 HydrophobicContact CZ-CD1 4.34Å; F27-F87 AromaticContact CZ-CE1 3.48Å; F27-F87 HydrophobicContact CZ-CE1 3.48Å; F27-F87 VanDerWaalsContact CZ-CE1 3.48Å; F27-F87 HydrophobicContact CZ-CZ 4.29Å; F27-W98 HydrophobicContact CB-CH2 4.16Å
28	L	90.6	Very high	83	Confident	7 Å²	7	33.4 Å²	33.4	4%	0.037	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	122	169.7	-54.3	-176.3	0	0	0	108.5	I6 E9 Y26 F35 I36 Y38 P42	I6-L28 HydrophobicContact CD1-CD1 4.35Å; I6-L28 HydrophobicContact CD1-CD2 4.29Å; E9-L28 HydrophobicContact CB-CD2 3.47Å; E9-L28 VanDerWaalsContact CB-CD2 3.47Å; Y26-L28 HydrophobicContact CD1-CD2 4.09Å; Y26-L28 HydrophobicContact CE1-CD2 3.68Å; L28-F35 WeakPolarHBondContact O-CA 3.48Å; L28-I36 PolarHBondContact N-O 3.01Å; L28-I36 PolarHBondContact O-N 2.92Å; L28-Y38 HydrophobicContact CB-CE2 4.49Å; L28-Y38 HydrophobicContact CD1-CD2 4.38Å; L28-Y38 HydrophobicContact CD1-CE2 3.54Å; L28-Y38 HydrophobicContact CG-CD2 4.26Å; L28-Y38 HydrophobicContact CG-CE2 3.75Å; L28-P42 HydrophobicContact CD1-CG 4.02Å
29	L	92.9	Very high	84	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	124.5	166.8	177.7	66.3	0	0	0	108.6	V7 R8 F35 V56 W98 A101 I102 V105	V7-L29 HydrophobicContact CB-CD2 4.31Å; V7-L29 HydrophobicContact CB-CG 4.26Å; V7-L29 HydrophobicContact CG1-CD2 4.23Å; V7-L29 PolarHBondContact N-O 3.12Å; R8-L29 HydrophobicContact CB-CB 4.34Å; R8-L29 PolarHBondContact N-O 3.33Å; R8-L29 PolarHBondContact O-N 3.32Å; L29-F35 HydrophobicContact CB-CD2 3.85Å; L29-F35 HydrophobicContact CB-CE2 4.22Å; L29-F35 HydrophobicContact CD1-CB 4.24Å; L29-F35 HydrophobicContact CD1-CD2 4.01Å; L29-F35 HydrophobicContact CD1-CG 4.4Å; L29-V56 HydrophobicContact CD1-CG1 4.48Å; L29-V56 HydrophobicContact CD1-CG2 4Å; L29-W98 HydrophobicContact CB-CZ3 4.33Å; L29-A101 HydrophobicContact CD2-CB 3.87Å; L29-I102 HydrophobicContact CD1-CG1 4.4Å; L29-I102 HydrophobicContact CD2-CG1 3.96Å; L29-V105 HydrophobicContact CD1-CG2 4.44Å; L29-V105 HydrophobicContact CD2-CG2 4Å; L29-V105 HydrophobicContact CG-CG2 4.19Å
30	K	90.6	Very high	84.8	Confident	56 Å²	56	39.8 Å²	39.8	24%	0.243	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	160.2	-177.9	-65.5	-178.1	178.4	-174.9	0	112.3	V4 T5 I6 D32 G33 S34 I36	V4-K30 HydrophobicContact CG1-CB 3.98Å; V4-K30 HydrophobicContact CG1-CD 3.93Å; V4-K30 HydrophobicContact CG1-CG 4.42Å; T5-K30 CarbonylContact O-C 3.55Å; T5-K30 VanDerWaalsContact O-CA 3.27Å; T5-K30 WeakPolarHBondContact O-CA 3.45Å; I6-K30 HydrophobicContact CG1-CG 4.5Å; K30-D32 WeakPolarHBondContact CB-OD1 2.84Å; K30-D32 PolarHBondContact O-N 3.44Å; K30-G33 PolarHBondContact O-N 3.19Å; K30-G33 VanDerWaalsContact O-N 3.08Å; K30-S34 PolarHBondContact N-O 2.8Å; K30-I36 HydrophobicContact CD-CD1 4.16Å
31	T	89.2	Confident	85.2	Confident	35 Å²	35	38.3 Å²	38.3	22%	0.215	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-20.4	-177.9	49.4	0	0	0	0	114.6	D3 V4 T5 V7	D3-T31 PolarHBondContact O-OG1 2.91Å; V4-T31 WeakPolarHBondContact CA-OG1 3.49Å; T5-T31 PolarHBondContact N-OG1 2.95Å; T5-T31 PolarHBondContact O-N 2.93Å; T5-T31 WeakPolarHBondContact OG1-CG2 3.48Å; V7-T31 HydrophobicContact CG2-CG2 3.49Å; V7-T31 VanDerWaalsContact CG2-CG2 3.49Å
32	D	84.6	Confident	85.1	Confident	67 Å²	67	36.7 Å²	36.7	36%	0.358	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	0.6	175.1	67.2	-12.9	0	0	0	113.2	V4 K30 S34	V4-D32 HydrophobicContact CG1-CB 4.13Å; V4-D32 HydrophobicContact CG2-CB 4.12Å; K30-D32 WeakPolarHBondContact CB-OD1 2.84Å; K30-D32 PolarHBondContact O-N 3.44Å; D32-S34 VanDerWaalsContact C-N 3.35Å; D32-S34 VanDerWaalsContact CG-OG 3.26Å; D32-S34 WeakPolarHBondContact OD1-CB 3.44Å; D32-S34 PolarHBondContact OD1-N 3.11Å; D32-S34 PolarHBondContact OD1-OG 3.31Å; D32-S34 VanDerWaalsContact OD1-OG 3.04Å; D32-S34 PolarHBondContact OD2-OG 3.05Å
33	G	84.4	Confident	84.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	87.6	0.4	-176.6	0	0	0	0	0	114.4	K30 F35 S55 V56 L109	K30-G33 PolarHBondContact O-N 3.19Å; K30-G33 VanDerWaalsContact O-N 3.08Å; G33-F35 PolarHBondContact O-N 3.16Å; G33-S55 CarbonylContact O-C 3.57Å; G33-S55 VanDerWaalsContact O-CA 3.28Å; G33-S55 WeakPolarHBondContact O-CA 3.49Å; G33-V56 WeakPolarHBondContact O-CG2 3.41Å; G33-V56 PolarHBondContact O-N 3.36Å; G33-L109 VanDerWaalsContact CA-CD1 3.48Å
34	S	84.7	Confident	83.3	Confident	26 Å²	26	49.2 Å²	49.2	18%	0.182	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	122.8	174.6	-61.4	0	0	0	0	109.9	K30 D32	K30-S34 PolarHBondContact N-O 2.8Å; D32-S34 VanDerWaalsContact C-N 3.35Å; D32-S34 VanDerWaalsContact CG-OG 3.26Å; D32-S34 WeakPolarHBondContact OD1-CB 3.44Å; D32-S34 PolarHBondContact OD1-N 3.11Å; D32-S34 PolarHBondContact OD1-OG 3.31Å; D32-S34 VanDerWaalsContact OD1-OG 3.04Å; D32-S34 PolarHBondContact OD2-OG 3.05Å
35	F	86.6	Confident	81	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	107	172.6	-169.7	-134.3	0	0	0	109.4	L12 F27 L28 L29 G33 F54 V56 I74 F87 W98 I102	L12-F35 HydrophobicContact CD1-CE1 4.43Å; L12-F35 HydrophobicContact CD1-CE2 4.44Å; L12-F35 HydrophobicContact CD1-CZ 3.59Å; F27-F35 HydrophobicContact CB-CE2 3.71Å; F27-F35 HydrophobicContact CB-CZ 3.94Å; F27-F35 HydrophobicContact CD1-CD1 4.1Å; F27-F35 HydrophobicContact CD1-CD2 4.07Å; F27-F35 AromaticContact CD1-CE1 3.73Å; F27-F35 HydrophobicContact CD1-CE1 3.73Å; F27-F35 AromaticContact CD1-CE2 3.73Å; F27-F35 HydrophobicContact CD1-CE2 3.73Å; F27-F35 HydrophobicContact CD1-CG 4.24Å; F27-F35 AromaticContact CD1-CZ 3.54Å; F27-F35 HydrophobicContact CD1-CZ 3.54Å; F27-F35 HydrophobicContact CE1-CD1 4.31Å; F27-F35 HydrophobicContact CE1-CE1 4.02Å; F27-F35 HydrophobicContact CE1-CZ 4.26Å; F27-F35 HydrophobicContact CG-CE1 4.43Å; F27-F35 HydrophobicContact CG-CE2 4.04Å; F27-F35 AromaticContact CG-CZ 3.86Å; F27-F35 HydrophobicContact CG-CZ 3.86Å; L28-F35 WeakPolarHBondContact O-CA 3.48Å; L29-F35 HydrophobicContact CB-CD2 3.85Å; L29-F35 HydrophobicContact CB-CE2 4.22Å; L29-F35 HydrophobicContact CD1-CB 4.24Å; L29-F35 HydrophobicContact CD1-CD2 4.01Å; L29-F35 HydrophobicContact CD1-CG 4.4Å; G33-F35 PolarHBondContact O-N 3.16Å; F35-F54 HydrophobicContact CB-CE2 4.24Å; F35-F54 HydrophobicContact CB-CZ 4.45Å; F35-F54 HydrophobicContact CD1-CE1 4.23Å; F35-F54 AromaticContact CD1-CE2 3.54Å; F35-F54 HydrophobicContact CD1-CE2 3.54Å; F35-F54 AromaticContact CD1-CZ 3.31Å; F35-F54 HydrophobicContact CD1-CZ 3.31Å; F35-F54 HydrophobicContact CE1-CE2 4.41Å; F35-F54 AromaticContact CE1-CZ 3.92Å; F35-F54 HydrophobicContact CE1-CZ 3.92Å; F35-F54 HydrophobicContact CG-CE2 4.37Å; F35-F54 HydrophobicContact CG-CZ 4.27Å; F35-F54 PolarHBondContact N-O 3.37Å; F35-F54 PolarHBondContact O-N 3.36Å; F35-F54 VanDerWaalsContact O-N 3.16Å; F35-V56 HydrophobicContact CB-CG1 3.66Å; F35-V56 HydrophobicContact CD1-CG1 4.28Å; F35-V56 HydrophobicContact CG-CG1 4.18Å; F35-I74 HydrophobicContact CD1-CD1 3.7Å; F35-I74 HydrophobicContact CE1-CD1 3.56Å; F35-F87 HydrophobicContact CE1-CE1 4.29Å; F35-F87 HydrophobicContact CE1-CE2 4.26Å; F35-F87 AromaticContact CE1-CZ 3.99Å; F35-F87 HydrophobicContact CE1-CZ 3.99Å; F35-W98 HydrophobicContact CE2-CE3 4.19Å; F35-W98 HydrophobicContact CE2-CH2 4.31Å; F35-W98 AromaticContact CE2-CZ3 3.62Å; F35-W98 HydrophobicContact CE2-CZ3 3.62Å; F35-W98 HydrophobicContact CZ-CE3 4.39Å; F35-W98 HydrophobicContact CZ-CZ3 4.18Å; F35-I102 HydrophobicContact CE1-CD1 4.4Å; F35-I102 HydrophobicContact CZ-CD1 4.28Å
36	I	82.9	Confident	78.9	Confident	11 Å²	11	56.9 Å²	56.9	6%	0.056	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	124.7	-160.3	-48.7	179.3	0	0	0	109.6	F27 L28 K30 Y38 P50 N52 N53	F27-I36 CarbonylContact C-O 3.41Å; F27-I36 WeakPolarHBondContact CA-O 3.28Å; L28-I36 PolarHBondContact N-O 3.01Å; L28-I36 PolarHBondContact O-N 2.92Å; K30-I36 HydrophobicContact CD-CD1 4.16Å; I36-Y38 HydrophobicContact CB-CE2 4.03Å; I36-Y38 HydrophobicContact CG2-CD2 4.35Å; I36-Y38 HydrophobicContact CG2-CE1 4.37Å; I36-Y38 HydrophobicContact CG2-CE2 3.51Å; I36-P50 HydrophobicContact CG2-CB 3.25Å; I36-P50 HydrophobicContact CG2-CG 4.34Å; I36-N52 CarbonylContact C-O 3.55Å; I36-N52 WeakPolarHBondContact CA-O 3.34Å; I36-N52 WeakPolarHBondContact CG2-O 3.18Å; I36-N53 HydrophobicContact CG2-CB 4.44Å
37	G	82.8	Confident	77.1	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	130.6	-178.9	0	0	0	0	0	112.7	Y26 L51 N52	Y26-G37 CarbonylContact O-C 3.44Å; Y26-G37 WeakPolarHBondContact O-CA 3.33Å; G37-L51 CarbonylContact O-C 3.55Å; G37-L51 WeakPolarHBondContact O-CA 3.15Å; G37-L51 WeakPolarHBondContact O-CB 3.16Å; G37-L51 PolarHBondContact O-N 3.24Å; G37-N52 PolarHBondContact N-O 3.08Å; G37-N52 PolarHBondContact O-N 3.22Å
38	Y	79.6	Confident	75.3	Confident	11 Å²	11	64.5 Å²	64.5	4%	0.043	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	157.8	-179.4	-58.9	-94	0	0	0	110.8	R25 Y26 L28 I36 E40 P42 P48 P50	R25-Y38 CarbonylContact C-O 3.56Å; R25-Y38 VanDerWaalsContact CA-O 3.24Å; R25-Y38 WeakPolarHBondContact CA-O 3.31Å; R25-Y38 WeakPolarHBondContact CB-O 3.38Å; R25-Y38 WeakPolarHBondContact CD-O 3.47Å; Y26-Y38 PolarHBondContact N-O 3.44Å; Y26-Y38 WeakPolarHBondContact O-CD2 3.25Å; Y26-Y38 PolarHBondContact O-N 3.08Å; L28-Y38 HydrophobicContact CB-CE2 4.49Å; L28-Y38 HydrophobicContact CD1-CD2 4.38Å; L28-Y38 HydrophobicContact CD1-CE2 3.54Å; L28-Y38 HydrophobicContact CG-CD2 4.26Å; L28-Y38 HydrophobicContact CG-CE2 3.75Å; I36-Y38 HydrophobicContact CB-CE2 4.03Å; I36-Y38 HydrophobicContact CG2-CD2 4.35Å; I36-Y38 HydrophobicContact CG2-CE1 4.37Å; I36-Y38 HydrophobicContact CG2-CE2 3.51Å; Y38-E40 VanDerWaalsContact C-N 3.32Å; Y38-E40 WeakPolarHBondContact CB-O 3.4Å; Y38-P42 HydrophobicContact CD2-CG 4.09Å; Y38-P42 HydrophobicContact CE2-CG 4.14Å; Y38-P42 HydrophobicContact CG-CG 4.32Å; Y38-P48 HydrophobicContact CD1-CG 4.14Å; Y38-P48 WeakPolarHBondContact CD1-O 3.46Å; Y38-P48 WeakPolarHBondContact CE1-O 3.4Å; Y38-P50 HydrophobicContact CD1-CB 4.27Å; Y38-P50 HydrophobicContact CE1-CB 3.71Å; Y38-P50 HydrophobicContact CE1-CG 4.5Å
39	K	77.9	Confident	73.6	Confident	127 Å²	127	70.4 Å²	70.4	55%	0.552	36%	0.364	S	S	*	.	S	Bend	trans	-66.8	-38.5	172.7	-161.7	171.8	176.1	175.1	0	111.6	W11 L51	W11-K39 WeakPolarHBondContact CH2-O 3.31Å; K39-L51 HydrophobicContact CB-CD1 3.63Å; K39-L51 HydrophobicContact CG-CD1 4.28Å
40	E	76.5	Confident	71.7	Confident	133 Å²	133	72 Å²	72	62%	0.621	37%	0.374	S	S	*	.	S	Bend	trans	-132.8	159.8	-177.6	-63.8	-179	-173.9	0	0	108.9	Y38 P42	Y38-E40 VanDerWaalsContact C-N 3.32Å; Y38-E40 WeakPolarHBondContact CB-O 3.4Å; E40-P42 WeakPolarHBondContact O-CD 3.24Å
41	K	82.9	Confident	70	Confident	110 Å²	110	70.4 Å²	70.4	48%	0.478	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-62.9	122.9	177.5	179.4	169.4	-177.4	156.4	0	109.3	E9 Y26	E9-K41 IonicContact OE1-NZ 3.53Å; E9-K41 IonicContact OE2-NZ 3.63Å; Y26-K41 HydrophobicContact CD1-CB 4.18Å; Y26-K41 HydrophobicContact CD1-CG 4.08Å; Y26-K41 HydrophobicContact CD2-CB 4Å; Y26-K41 HydrophobicContact CD2-CG 4.34Å; Y26-K41 HydrophobicContact CE1-CB 4.29Å; Y26-K41 HydrophobicContact CE1-CD 4.1Å; Y26-K41 HydrophobicContact CE1-CG 3.73Å; Y26-K41 HydrophobicContact CE2-CB 4.12Å; Y26-K41 HydrophobicContact CE2-CD 3.83Å; Y26-K41 HydrophobicContact CE2-CG 4.02Å; Y26-K41 HydrophobicContact CG-CB 4.01Å; Y26-K41 HydrophobicContact CG-CG 4.35Å; Y26-K41 WeakPolarHBondContact OH-CD 3.32Å; Y26-K41 WeakPolarHBondContact OH-CE 3.08Å; Y26-K41 PolarHBondContact OH-NZ 3.4Å
42	P	76	Confident	68.7	Low	20 Å²	20	69.1 Å²	69.1	13%	0.13	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-64.4	137.9	178.7	23.9	-30.6	0	0	0	111.3	L28 Y38 E40 L47 P48	L28-P42 HydrophobicContact CD1-CG 4.02Å; Y38-P42 HydrophobicContact CD2-CG 4.09Å; Y38-P42 HydrophobicContact CE2-CG 4.14Å; Y38-P42 HydrophobicContact CG-CG 4.32Å; E40-P42 WeakPolarHBondContact O-CD 3.24Å; P42-L47 HydrophobicContact CB-CD2 4.11Å; P42-P48 HydrophobicContact CB-CG 3.84Å
43	Q	73.9	Confident	68.1	Low	156 Å²	156	68.9 Å²	68.9	73%	0.729	36%	0.359	S	S	*	.	B	Isolated β-bridge	trans	-99.1	147.5	171.9	-66.1	-176.3	10.8	0	0	109.8	A45 D46	Q43-A45 PolarHBondContact O-N 2.99Å; Q43-D46 CarbonylContact O-C 3.57Å; Q43-D46 PolarHBondContact O-N 3.08Å
44	D	53.3	Low	67.7	Low	179 Å²	179	69.7 Å²	69.7	96%	0.957	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-9.7	-169	-78.9	-37.5	0	0	0	116.3
45	A	42.5	Very low	67.5	Low	98 Å²	98	70.9 Å²	70.9	81%	0.81	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	-21.7	-175.7	0	0	0	0	0	115	Q43	Q43-A45 PolarHBondContact O-N 2.99Å
46	D	44.4	Very low	67.4	Low	144 Å²	144	70.9 Å²	70.9	77%	0.77	37%	0.37	S	S	*	.	B	Isolated β-bridge	trans	-137.2	98.1	175.7	-94.3	-33.7	0	0	0	106.2	Q43 P48	Q43-D46 CarbonylContact O-C 3.57Å; Q43-D46 PolarHBondContact O-N 3.08Å; D46-P48 WeakPolarHBondContact O-CD 3.49Å
47	L	50.3	Low	67.4	Low	125 Å²	125	72.1 Å²	72.1	65%	0.654	38%	0.382	S	S	*	.			trans	-72.6	106.4	176.9	-74.3	165.7	0	0	0	108.1	P42 Y49	P42-L47 HydrophobicContact CB-CD2 4.11Å; L47-Y49 PolarHBondContact O-N 3.28Å
48	P	53.7	Low	67.3	Low	50 Å²	50	78.3 Å²	78.3	33%	0.325	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-55	142	169.6	22.9	-33.6	0	0	0	109.1	Y38 P42 D46	Y38-P48 HydrophobicContact CD1-CG 4.14Å; Y38-P48 WeakPolarHBondContact CD1-O 3.46Å; Y38-P48 WeakPolarHBondContact CE1-O 3.4Å; P42-P48 HydrophobicContact CB-CG 3.84Å; D46-P48 WeakPolarHBondContact O-CD 3.49Å
49	Y	55.3	Low	67.4	Low	131 Å²	131	78.4 Å²	78.4	51%	0.514	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-56.4	131.1	-178.6	-78.1	-90.4	0	0	0	110.9	L47 L51 A300	L47-Y49 PolarHBondContact O-N 3.28Å; Y49-L51 PolarHBondContact O-N 3.15Å; Y49-A300 HydrophobicContact CE1-CB 4.45Å
50	P	54.4	Low	67.8	Low	32 Å²	32	77.4 Å²	77.4	21%	0.208	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-64.4	124.5	177.5	27.3	-33.5	0	0	0	109.8	I36 Y38	I36-P50 HydrophobicContact CG2-CB 3.25Å; I36-P50 HydrophobicContact CG2-CG 4.34Å; Y38-P50 HydrophobicContact CD1-CB 4.27Å; Y38-P50 HydrophobicContact CE1-CB 3.71Å; Y38-P50 HydrophobicContact CE1-CG 4.5Å
51	L	55	Low	68.4	Low	24 Å²	24	72.7 Å²	72.7	13%	0.126	39%	0.387	C	S	.	.	S	Bend	trans	-81.6	-25.7	177.4	-64.6	-174.5	0	0	0	112.3	G37 K39 Y49 N321	G37-L51 CarbonylContact O-C 3.55Å; G37-L51 WeakPolarHBondContact O-CA 3.15Å; G37-L51 WeakPolarHBondContact O-CB 3.16Å; G37-L51 PolarHBondContact O-N 3.24Å; K39-L51 HydrophobicContact CB-CD1 3.63Å; K39-L51 HydrophobicContact CG-CD1 4.28Å; Y49-L51 PolarHBondContact O-N 3.15Å; L51-N321 HydrophobicContact CD2-CB 3.89Å
52	N	60.7	Low	68.8	Low	7 Å²	7	70.7 Å²	70.7	4%	0.037	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	133.3	176.5	-58.9	-88.9	0	0	0	107.5	K14 F27 I36 G37 F54	K14-N52 WeakPolarHBondContact CD-OD1 3.29Å; K14-N52 WeakPolarHBondContact CE-OD1 3.4Å; K14-N52 PolarHBondContact NZ-OD1 3.3Å; F27-N52 HydrophobicContact CE1-CB 4.04Å; F27-N52 HydrophobicContact CZ-CB 4.15Å; I36-N52 CarbonylContact C-O 3.55Å; I36-N52 WeakPolarHBondContact CA-O 3.34Å; I36-N52 WeakPolarHBondContact CG2-O 3.18Å; G37-N52 PolarHBondContact N-O 3.08Å; G37-N52 PolarHBondContact O-N 3.22Å; N52-F54 HydrophobicContact CB-CE1 4.36Å
53	N	71.9	Confident	69.6	Low	63 Å²	63	74.6 Å²	74.6	34%	0.337	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	112.5	174	177.7	5.4	0	0	0	108.7	I36 K304	I36-N53 HydrophobicContact CG2-CB 4.44Å; N53-K304 PolarHBondContact O-NZ 3.33Å
54	F	75.9	Confident	70.5	Confident	16 Å²	16	69.1 Å²	69.1	7%	0.07	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	156.4	176.6	54.6	-86.3	0	0	0	110.2	F27 F35 N52 I74 R85 F87	F27-F54 HydrophobicContact CE1-CE1 4.26Å; F35-F54 HydrophobicContact CB-CE2 4.24Å; F35-F54 HydrophobicContact CB-CZ 4.45Å; F35-F54 HydrophobicContact CD1-CE1 4.23Å; F35-F54 AromaticContact CD1-CE2 3.54Å; F35-F54 HydrophobicContact CD1-CE2 3.54Å; F35-F54 AromaticContact CD1-CZ 3.31Å; F35-F54 HydrophobicContact CD1-CZ 3.31Å; F35-F54 HydrophobicContact CE1-CE2 4.41Å; F35-F54 AromaticContact CE1-CZ 3.92Å; F35-F54 HydrophobicContact CE1-CZ 3.92Å; F35-F54 HydrophobicContact CG-CE2 4.37Å; F35-F54 HydrophobicContact CG-CZ 4.27Å; F35-F54 PolarHBondContact N-O 3.37Å; F35-F54 PolarHBondContact O-N 3.36Å; F35-F54 VanDerWaalsContact O-N 3.16Å; N52-F54 HydrophobicContact CB-CE1 4.36Å; F54-I74 HydrophobicContact CE2-CD1 4.06Å; F54-I74 HydrophobicContact CZ-CD1 4.4Å; F54-R85 HydrophobicContact CE1-CG 4.3Å; F54-R85 HydrophobicContact CE2-CG 4.25Å; F54-R85 HydrophobicContact CZ-CB 4.28Å; F54-R85 HydrophobicContact CZ-CG 4.09Å; F54-F87 HydrophobicContact CE1-CZ 4.32Å; F54-F87 HydrophobicContact CZ-CE2 4.25Å; F54-F87 AromaticContact CZ-CZ 3.67Å; F54-F87 HydrophobicContact CZ-CZ 3.67Å
55	S	81.6	Confident	72.3	Confident	51 Å²	51	65.3 Å²	65.3	36%	0.357	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	141	177	-173.6	0	0	0	0	110.9	G33 A57	G33-S55 CarbonylContact O-C 3.57Å; G33-S55 VanDerWaalsContact O-CA 3.28Å; G33-S55 WeakPolarHBondContact O-CA 3.49Å; S55-A57 VanDerWaalsContact C-N 3.33Å; S55-A57 VanDerWaalsContact OG-CB 3.31Å; S55-A57 WeakPolarHBondContact OG-CB 3.4Å; S55-A57 PolarHBondContact OG-N 3.17Å; S55-A57 VanDerWaalsContact OG-N 3.12Å
56	V	84.8	Confident	74.1	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	35%	0.348	C	S	.	.			trans	-91.3	4.7	168.9	-60.2	0	0	0	0	112.7	L29 G33 F35 K58 C59 I74 I102 V105 A106	L29-V56 HydrophobicContact CD1-CG1 4.48Å; L29-V56 HydrophobicContact CD1-CG2 4Å; G33-V56 WeakPolarHBondContact O-CG2 3.41Å; G33-V56 PolarHBondContact O-N 3.36Å; F35-V56 HydrophobicContact CB-CG1 3.66Å; F35-V56 HydrophobicContact CD1-CG1 4.28Å; F35-V56 HydrophobicContact CG-CG1 4.18Å; V56-K58 PolarHBondContact O-N 3.24Å; V56-C59 WeakPolarHBondContact O-CB 3.36Å; V56-C59 PolarHBondContact O-N 2.87Å; V56-C59 PolarHBondContact O-SG 2.82Å; V56-I74 HydrophobicContact CG1-CD1 4.47Å; V56-I102 HydrophobicContact CB-CG2 3.86Å; V56-I102 HydrophobicContact CG1-CG2 3.8Å; V56-I102 HydrophobicContact CG2-CG2 4.27Å; V56-V105 HydrophobicContact CG2-CB 4.38Å; V56-V105 HydrophobicContact CG2-CG1 3.99Å; V56-A106 WeakPolarHBondContact O-CB 3.33Å
57	A	81.8	Confident	75.9	Confident	37 Å²	37	67.1 Å²	67.1	31%	0.306	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	133.2	173.7	0	0	0	0	0	110.5	S55 C59 L109	S55-A57 VanDerWaalsContact C-N 3.33Å; S55-A57 VanDerWaalsContact OG-CB 3.31Å; S55-A57 WeakPolarHBondContact OG-CB 3.4Å; S55-A57 PolarHBondContact OG-N 3.17Å; S55-A57 VanDerWaalsContact OG-N 3.12Å; A57-C59 PolarHBondContact O-N 2.93Å; A57-L109 HydrophobicContact CB-CD1 4.09Å
58	K	80.3	Confident	77.7	Confident	130 Å²	130	65.1 Å²	65.1	57%	0.565	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	31.9	-179.5	-56.5	176.4	-176.7	167.2	0	113.3	V56 E113	V56-K58 PolarHBondContact O-N 3.24Å; K58-E113 WeakPolarHBondContact CE-OE2 3.44Å; K58-E113 IonicContact NZ-OE1 2.68Å; K58-E113 PolarHBondContact NZ-OE1 2.8Å; K58-E113 IonicContact NZ-OE2 3.16Å; K58-E113 PolarHBondContact NZ-OE2 3.06Å
59	C	82.6	Confident	79.5	Confident	14 Å²	14	66.5 Å²	66.5	10%	0.095	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	150.6	175.5	77	0	0	0	0	112.1	V56 A57 I74 R75 C76	V56-C59 WeakPolarHBondContact O-CB 3.36Å; V56-C59 PolarHBondContact O-N 2.87Å; V56-C59 PolarHBondContact O-SG 2.82Å; A57-C59 PolarHBondContact O-N 2.93Å; C59-I74 HydrophobicContact CB-CG2 3.72Å; C59-R75 CarbonylContact C-O 3.5Å; C59-R75 VanDerWaalsContact CA-O 3.31Å; C59-R75 WeakPolarHBondContact CA-O 3.43Å; C59-C76 WeakPolarHBondContact CB-SG 3.37Å
60	Q	85.9	Confident	81.3	Confident	105 Å²	105	61.3 Å²	61.3	49%	0.491	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	122.1	166.7	-179.6	179.9	31.1	0	0	108.5	M62 R75	Q60-M62 HydrophobicContact CG-CG 4.44Å; Q60-R75 HydrophobicContact CB-CB 4.28Å; Q60-R75 PolarHBondContact N-O 3.37Å; Q60-R75 PolarHBondContact O-N 3.4Å
61	L	89.7	Confident	83.2	Confident	34 Å²	34	59.8 Å²	59.8	18%	0.178	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	137.2	173.5	-74.4	168.1	0	0	0	111.1	I73 I74 T99 I102 Q103	L61-I73 WeakPolarHBondContact CA-O 3.28Å; L61-I74 HydrophobicContact CD2-CB 4.41Å; L61-I74 HydrophobicContact CD2-CG1 3.73Å; L61-T99 VanDerWaalsContact CD1-O 3.23Å; L61-T99 WeakPolarHBondContact CD1-O 3.25Å; L61-T99 HydrophobicContact CD2-CG2 4.48Å; L61-I102 HydrophobicContact CD1-CB 4.03Å; L61-I102 HydrophobicContact CD1-CG2 3.9Å; L61-I102 HydrophobicContact CD2-CG2 4.09Å; L61-I102 HydrophobicContact CG-CG2 4.3Å; L61-Q103 HydrophobicContact CD1-CB 3.96Å
62	M	90.6	Very high	85.1	Confident	69 Å²	69	58.6 Å²	58.6	34%	0.34	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	131.8	174.8	-57.6	175.2	64.5	0	0	109.8	Q60 F72 I73 R75	Q60-M62 HydrophobicContact CG-CG 4.44Å; M62-F72 CarbonylContact O-C 3.59Å; M62-F72 VanDerWaalsContact O-CA 3.25Å; M62-F72 WeakPolarHBondContact O-CA 3.44Å; M62-I73 HydrophobicContact CB-CB 4.32Å; M62-I73 PolarHBondContact N-O 2.85Å; M62-I73 PolarHBondContact O-N 2.94Å; M62-R75 PolarHBondContact SD-NH2 3.28Å
63	K	93.9	Very high	86.6	Confident	101 Å²	101	59.5 Å²	59.5	44%	0.439	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	137.3	172	-61.7	178.6	-176.5	-175.6	0	109	D96 T99	K63-D96 WeakPolarHBondContact CE-OD1 3.18Å; K63-D96 VanDerWaalsContact NZ-CG 3.33Å; K63-D96 IonicContact NZ-OD1 3.94Å; K63-D96 PolarHBondContact NZ-OD1 2.9Å; K63-D96 IonicContact NZ-OD2 2.77Å; K63-T99 WeakPolarHBondContact CE-OG1 3.21Å; K63-T99 HydrophobicContact CG-CG2 4.47Å; K63-T99 PolarHBondContact NZ-OG1 3.28Å
64	T	91.8	Very high	87.4	Confident	41 Å²	41	56.5 Å²	56.5	25%	0.252	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	149.6	-179.7	174.4	0	0	0	0	110.8	R66 T71 I73	T64-R66 VanDerWaalsContact CG2-O 3.23Å; T64-R66 WeakPolarHBondContact CG2-O 3.4Å; T64-R66 PolarHBondContact OG1-N 3.37Å; T64-R66 VanDerWaalsContact OG1-N 3.07Å; T64-R66 PolarHBondContact OG1-O 2.86Å; T64-T71 HydrophobicContact CG2-CG2 3.51Å; T64-T71 PolarHBondContact N-O 2.86Å; T64-T71 CarbonylContact O-C 3.58Å; T64-T71 WeakPolarHBondContact O-CA 3.49Å; T64-T71 VanDerWaalsContact O-CB 3.3Å; T64-T71 WeakPolarHBondContact O-CB 3.4Å; T64-T71 PolarHBondContact O-N 2.79Å; T64-T71 VanDerWaalsContact O-N 3.07Å; T64-I73 HydrophobicContact CG2-CD1 3.98Å; T64-I73 HydrophobicContact CG2-CG1 4.19Å
65	E	91.4	Very high	87.6	Confident	99 Å²	99	59.1 Å²	59.1	46%	0.463	29%	0.292	S	S	.	.			trans	-97.3	6.7	173.2	-55.9	-53	145	0	0	112.4	K68 P69 N70 R95	E65-K68 CarbonylContact C-O 3.54Å; E65-K68 CarbonylContact O-C 3.58Å; E65-K68 VanDerWaalsContact O-C 3.27Å; E65-P69 WeakPolarHBondContact OE2-CA 3.48Å; E65-N70 PolarHBondContact OE2-N 3.17Å; E65-R95 IonicContact OE1-CZ 2.76Å; E65-R95 IonicContact OE1-NH1 2.67Å; E65-R95 PolarHBondContact OE1-NH1 2.79Å; E65-R95 IonicContact OE1-NH2 2.93Å
66	R	80.8	Confident	87.2	Confident	207 Å²	207	57 Å²	57	78%	0.781	28%	0.277	S	S	*	.	S	Bend	trans	-125.7	142.1	177.1	-65.8	-173.7	179.6	-169.3	0.7	111	T64	T64-R66 VanDerWaalsContact CG2-O 3.23Å; T64-R66 WeakPolarHBondContact CG2-O 3.4Å; T64-R66 PolarHBondContact OG1-N 3.37Å; T64-R66 VanDerWaalsContact OG1-N 3.07Å; T64-R66 PolarHBondContact OG1-O 2.86Å
67	P	81.7	Confident	85.5	Confident	74 Å²	74	62.5 Å²	62.5	48%	0.481	31%	0.306	S	S	.	.	S	Bend	cis	-81.6	-7.6	2.4	34.5	-36.3	0	0	0	114.3	W22	W22-P67 HydrophobicContact CZ2-CG 3.91Å
68	K	88	Confident	84	Confident	83 Å²	83	64.6 Å²	64.6	36%	0.361	31%	0.309	S	S	.	.	S	Bend	trans	-126.2	153.4	171.2	-84.7	-169.5	168.5	-170.6	0	110.4	W22 E65 T71	W22-K68 HydrophobicContact CD2-CD 4.49Å; W22-K68 HydrophobicContact CG-CD 4.5Å; W22-K68 HydrophobicContact CZ2-CB 4.13Å; W22-K68 HydrophobicContact CZ2-CD 4.34Å; W22-K68 HydrophobicContact CZ2-CG 4.32Å; E65-K68 CarbonylContact C-O 3.54Å; E65-K68 CarbonylContact O-C 3.58Å; E65-K68 VanDerWaalsContact O-C 3.27Å; K68-T71 WeakPolarHBondContact O-CB 3.32Å; K68-T71 PolarHBondContact O-OG1 2.87Å
69	P	90.7	Very high	82.4	Confident	79 Å²	79	70.1 Å²	70.1	51%	0.513	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	156.1	168.2	-23.1	33.8	0	0	0	112.2	E65 T71 H88	E65-P69 WeakPolarHBondContact OE2-CA 3.48Å; P69-T71 PolarHBondContact O-N 3.47Å; P69-H88 PolarHBondContact O-ND1 2.87Å
70	N	93.5	Very high	80.2	Confident	21 Å²	21	75.2 Å²	75.2	11%	0.112	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	31.4	176.6	-50.6	-33.4	0	0	0	113.5	E65 V89 D90 P92	E65-N70 PolarHBondContact OE2-N 3.17Å; N70-V89 HydrophobicContact CB-CG2 4.17Å; N70-V89 VanDerWaalsContact CB-O 3.28Å; N70-V89 WeakPolarHBondContact CB-O 3.15Å; N70-V89 PolarHBondContact O-N 3.27Å; N70-D90 PolarHBondContact ND2-O 3.01Å; N70-P92 WeakPolarHBondContact OD1-CG 3.16Å
71	T	94.6	Very high	78	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	142.8	176.8	-65.1	0	0	0	0	110.1	W22 T64 K68 P69 T86 F87	W22-T71 HydrophobicContact CH2-CG2 4.08Å; T64-T71 HydrophobicContact CG2-CG2 3.51Å; T64-T71 PolarHBondContact N-O 2.86Å; T64-T71 CarbonylContact O-C 3.58Å; T64-T71 WeakPolarHBondContact O-CA 3.49Å; T64-T71 VanDerWaalsContact O-CB 3.3Å; T64-T71 WeakPolarHBondContact O-CB 3.4Å; T64-T71 PolarHBondContact O-N 2.79Å; T64-T71 VanDerWaalsContact O-N 3.07Å; K68-T71 WeakPolarHBondContact O-CB 3.32Å; K68-T71 PolarHBondContact O-OG1 2.87Å; P69-T71 PolarHBondContact O-N 3.47Å; T71-T86 HydrophobicContact CG2-CG2 3.45Å; T71-T86 VanDerWaalsContact CG2-CG2 3.45Å; T71-F87 CarbonylContact C-O 3.53Å; T71-F87 VanDerWaalsContact CA-O 3.24Å; T71-F87 WeakPolarHBondContact CA-O 3.34Å; T71-F87 WeakPolarHBondContact CG2-O 3.4Å
72	F	95.1	Very high	76.3	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	149.2	167.6	66.9	-83.8	0	0	0	110.9	L12 M62 I74 F87 V89 R95 W98 T99 I102	L12-F72 HydrophobicContact CD1-CZ 4.03Å; L12-F72 HydrophobicContact CD2-CE1 4.1Å; L12-F72 HydrophobicContact CD2-CZ 4.04Å; M62-F72 CarbonylContact O-C 3.59Å; M62-F72 VanDerWaalsContact O-CA 3.25Å; M62-F72 WeakPolarHBondContact O-CA 3.44Å; F72-I74 HydrophobicContact CD2-CG1 4.36Å; F72-I74 HydrophobicContact CE2-CD1 4.41Å; F72-I74 HydrophobicContact CE2-CG1 4.35Å; F72-F87 HydrophobicContact CD1-CB 3.86Å; F72-F87 HydrophobicContact CD2-CB 4.04Å; F72-F87 HydrophobicContact CD2-CD2 4.02Å; F72-F87 HydrophobicContact CD2-CG 4.42Å; F72-F87 HydrophobicContact CE1-CB 3.44Å; F72-F87 VanDerWaalsContact CE1-CB 3.44Å; F72-F87 HydrophobicContact CE1-CG 4.4Å; F72-F87 HydrophobicContact CE2-CB 3.62Å; F72-F87 AromaticContact CE2-CD2 3.59Å; F72-F87 HydrophobicContact CE2-CD2 3.59Å; F72-F87 AromaticContact CE2-CG 3.79Å; F72-F87 HydrophobicContact CE2-CG 3.79Å; F72-F87 HydrophobicContact CG-CB 4.17Å; F72-F87 HydrophobicContact CZ-CB 3.32Å; F72-F87 HydrophobicContact CZ-CD2 4.1Å; F72-F87 AromaticContact CZ-CG 3.8Å; F72-F87 HydrophobicContact CZ-CG 3.8Å; F72-F87 PolarHBondContact N-O 3.2Å; F72-F87 PolarHBondContact O-N 2.84Å; F72-V89 HydrophobicContact CE1-CG1 4.27Å; F72-R95 HydrophobicContact CB-CG 4.09Å; F72-R95 HydrophobicContact CD1-CG 3.92Å; F72-R95 HydrophobicContact CG-CG 4.36Å; F72-W98 HydrophobicContact CE1-CB 4.42Å; F72-W98 HydrophobicContact CZ-CB 4.16Å; F72-T99 HydrophobicContact CB-CG2 3.85Å; F72-T99 HydrophobicContact CD2-CG2 4.06Å; F72-T99 HydrophobicContact CG-CG2 3.97Å; F72-I102 HydrophobicContact CE2-CD1 4.01Å
73	I	91.5	Very high	75	Confident	25 Å²	25	74.2 Å²	74.2	13%	0.128	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128.7	-177.5	-55.7	173.1	0	0	0	107.9	L61 M62 T64 E84 R85 T86	L61-I73 WeakPolarHBondContact CA-O 3.28Å; M62-I73 HydrophobicContact CB-CB 4.32Å; M62-I73 PolarHBondContact N-O 2.85Å; M62-I73 PolarHBondContact O-N 2.94Å; T64-I73 HydrophobicContact CG2-CD1 3.98Å; T64-I73 HydrophobicContact CG2-CG1 4.19Å; I73-E84 HydrophobicContact CG2-CB 3.99Å; I73-E84 HydrophobicContact CG2-CG 4.25Å; I73-R85 CarbonylContact C-O 3.52Å; I73-R85 WeakPolarHBondContact CA-O 3.39Å; I73-T86 HydrophobicContact CG1-CG2 4.12Å
74	I	89.7	Confident	74.3	Confident	1 Å²	1	73.3 Å²	73.3	1%	0.005	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	114.9	168	-49.9	179.5	0	0	0	106.7	F35 F54 V56 C59 L61 F72 E84 R85 F87 I102	F35-I74 HydrophobicContact CD1-CD1 3.7Å; F35-I74 HydrophobicContact CE1-CD1 3.56Å; F54-I74 HydrophobicContact CE2-CD1 4.06Å; F54-I74 HydrophobicContact CZ-CD1 4.4Å; V56-I74 HydrophobicContact CG1-CD1 4.47Å; C59-I74 HydrophobicContact CB-CG2 3.72Å; L61-I74 HydrophobicContact CD2-CB 4.41Å; L61-I74 HydrophobicContact CD2-CG1 3.73Å; F72-I74 HydrophobicContact CD2-CG1 4.36Å; F72-I74 HydrophobicContact CE2-CD1 4.41Å; F72-I74 HydrophobicContact CE2-CG1 4.35Å; I74-E84 CarbonylContact O-C 3.52Å; I74-E84 WeakPolarHBondContact O-CA 3.32Å; I74-R85 HydrophobicContact CB-CB 4.48Å; I74-R85 PolarHBondContact N-O 3.27Å; I74-R85 PolarHBondContact O-N 2.91Å; I74-F87 HydrophobicContact CB-CE2 4.3Å; I74-F87 HydrophobicContact CD1-CD2 4.06Å; I74-F87 HydrophobicContact CD1-CE2 3.53Å; I74-F87 HydrophobicContact CD1-CZ 4.34Å; I74-F87 HydrophobicContact CG1-CD2 4.01Å; I74-F87 HydrophobicContact CG1-CE2 3.72Å; I74-I102 HydrophobicContact CD1-CD1 3.83Å
75	R	80.5	Confident	73.9	Confident	70 Å²	70	73.3 Å²	73.3	26%	0.264	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	118.3	174.8	179.9	-173.1	-68.9	157.5	-5.3	108.9	C59 Q60 M62 V82 I83 E84	C59-R75 CarbonylContact C-O 3.5Å; C59-R75 VanDerWaalsContact CA-O 3.31Å; C59-R75 WeakPolarHBondContact CA-O 3.43Å; Q60-R75 HydrophobicContact CB-CB 4.28Å; Q60-R75 PolarHBondContact N-O 3.37Å; Q60-R75 PolarHBondContact O-N 3.4Å; M62-R75 PolarHBondContact SD-NH2 3.28Å; R75-V82 HydrophobicContact CG-CG1 3.48Å; R75-V82 VanDerWaalsContact CG-CG1 3.48Å; R75-I83 CarbonylContact C-O 3.56Å; R75-I83 WeakPolarHBondContact CA-O 3.42Å; R75-E84 HydrophobicContact CB-CG 4.17Å; R75-E84 HydrophobicContact CG-CG 4.04Å; R75-E84 IonicContact CZ-OE1 3.35Å; R75-E84 IonicContact NE-OE1 3.95Å; R75-E84 PolarHBondContact NE-OE1 3.49Å; R75-E84 IonicContact NH2-OE1 3.14Å; R75-E84 PolarHBondContact NH2-OE1 2.85Å
76	C	72.1	Confident	73.8	Confident	8 Å²	8	69.5 Å²	69.5	5%	0.054	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	146	176.7	-56.7	0	0	0	0	110	C59 I83	C59-C76 WeakPolarHBondContact CB-SG 3.37Å; C76-I83 PolarHBondContact N-O 2.88Å; C76-I83 PolarHBondContact O-N 3.24Å
77	L	49.5	Very low	74.5	Confident	114 Å²	114	59.7 Å²	59.7	60%	0.597	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	110.6	163.9	-171	72	0	0	0	107.9	V82	L77-V82 HydrophobicContact CD1-CG2 3.98Å
78	Q	50.4	Low	75.1	Confident	81 Å²	81	57 Å²	57	38%	0.379	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	109.9	169.2	-68.8	-172.8	-0.8	0	0	107.6	T80 T81 I83	Q78-T80 PolarHBondContact O-N 2.82Å; Q78-T81 PolarHBondContact N-O 3.28Å; Q78-T81 PolarHBondContact O-N 3.26Å; Q78-T81 VanDerWaalsContact O-N 3.1Å; Q78-I83 HydrophobicContact CB-CD1 3.78Å; Q78-I83 HydrophobicContact CG-CD1 3.9Å
79	W	47.6	Very low	75.4	Confident	247 Å²	247	53.3 Å²	53.3	94%	0.936	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	-102.8	-171.5	-60.1	91	0	0	0	112.3
80	T	36.1	Very low	75.6	Confident	120 Å²	120	55.7 Å²	55.7	74%	0.736	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	-2.7	-179.5	51.5	0	0	0	0	112.9	Q78	Q78-T80 PolarHBondContact O-N 2.82Å
81	T	39	Very low	75.6	Confident	65 Å²	65	56.1 Å²	56.1	40%	0.399	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130	-174.1	-58.6	0	0	0	0	111	Q78 I83	Q78-T81 PolarHBondContact N-O 3.28Å; Q78-T81 PolarHBondContact O-N 3.26Å; Q78-T81 VanDerWaalsContact O-N 3.1Å; T81-I83 HydrophobicContact CG2-CG1 4.21Å; T81-I83 PolarHBondContact O-N 3.45Å
82	V	53.9	Low	75.6	Confident	88 Å²	88	59 Å²	59	53%	0.533	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	116.7	171.4	179.9	0	0	0	0	108.3	R75 L77	R75-V82 HydrophobicContact CG-CG1 3.48Å; R75-V82 VanDerWaalsContact CG-CG1 3.48Å; L77-V82 HydrophobicContact CD1-CG2 3.98Å
83	I	63.3	Low	75.6	Confident	34 Å²	34	64.5 Å²	64.5	17%	0.174	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.7	178.8	-60.2	-178.2	0	0	0	108.6	R75 C76 Q78 T81	R75-I83 CarbonylContact C-O 3.56Å; R75-I83 WeakPolarHBondContact CA-O 3.42Å; C76-I83 PolarHBondContact N-O 2.88Å; C76-I83 PolarHBondContact O-N 3.24Å; Q78-I83 HydrophobicContact CB-CD1 3.78Å; Q78-I83 HydrophobicContact CG-CD1 3.9Å; T81-I83 HydrophobicContact CG2-CG1 4.21Å; T81-I83 PolarHBondContact O-N 3.45Å
84	E	79.8	Confident	75.7	Confident	82 Å²	82	66.8 Å²	66.8	38%	0.383	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	138.6	174.3	-65.6	-172.4	164.8	0	0	110.8	I73 I74 R75	I73-E84 HydrophobicContact CG2-CB 3.99Å; I73-E84 HydrophobicContact CG2-CG 4.25Å; I74-E84 CarbonylContact O-C 3.52Å; I74-E84 WeakPolarHBondContact O-CA 3.32Å; R75-E84 HydrophobicContact CB-CG 4.17Å; R75-E84 HydrophobicContact CG-CG 4.04Å; R75-E84 IonicContact CZ-OE1 3.35Å; R75-E84 IonicContact NE-OE1 3.95Å; R75-E84 PolarHBondContact NE-OE1 3.49Å; R75-E84 IonicContact NH2-OE1 3.14Å; R75-E84 PolarHBondContact NH2-OE1 2.85Å
85	R	82.9	Confident	76.1	Confident	41 Å²	41	67.9 Å²	67.9	16%	0.155	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	117.2	174.7	-61	-67.9	-179.7	-119.9	20.8	107.9	E17 F54 I73 I74 F87	E17-R85 IonicContact OE1-CZ 3.24Å; E17-R85 IonicContact OE1-NE 3.46Å; E17-R85 PolarHBondContact OE1-NE 3.34Å; E17-R85 IonicContact OE1-NH1 2.72Å; E17-R85 PolarHBondContact OE1-NH1 3.37Å; E17-R85 VanDerWaalsContact OE1-NH1 3.09Å; E17-R85 IonicContact OE1-NH2 2.93Å; E17-R85 PolarHBondContact OE1-NH2 3.13Å; E17-R85 IonicContact OE2-CZ 2.78Å; E17-R85 IonicContact OE2-NH1 2.86Å; E17-R85 PolarHBondContact OE2-NH1 3.41Å; E17-R85 IonicContact OE2-NH2 2.82Å; E17-R85 PolarHBondContact OE2-NH2 2.71Å; F54-R85 HydrophobicContact CE1-CG 4.3Å; F54-R85 HydrophobicContact CE2-CG 4.25Å; F54-R85 HydrophobicContact CZ-CB 4.28Å; F54-R85 HydrophobicContact CZ-CG 4.09Å; I73-R85 CarbonylContact C-O 3.52Å; I73-R85 WeakPolarHBondContact CA-O 3.39Å; I74-R85 HydrophobicContact CB-CB 4.48Å; I74-R85 PolarHBondContact N-O 3.27Å; I74-R85 PolarHBondContact O-N 2.91Å; R85-F87 HydrophobicContact CB-CE2 3.43Å; R85-F87 VanDerWaalsContact CB-CE2 3.43Å; R85-F87 HydrophobicContact CB-CZ 3.64Å; R85-F87 WeakPolarHBondContact O-CD2 3.36Å; R85-F87 VanDerWaalsContact O-CE2 3.31Å; R85-F87 WeakPolarHBondContact O-CE2 3.36Å
86	T	89.7	Confident	76.7	Confident	20 Å²	20	66.9 Å²	66.9	12%	0.123	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	130	-175.1	-55.8	0	0	0	0	110.4	R15 W22 T71 I73	R15-T86 HydrophobicContact CB-CG2 4.29Å; R15-T86 PolarHBondContact N-O 3.37Å; W22-T86 HydrophobicContact CH2-CG2 3.74Å; W22-T86 HydrophobicContact CZ3-CG2 4.26Å; T71-T86 HydrophobicContact CG2-CG2 3.45Å; T71-T86 VanDerWaalsContact CG2-CG2 3.45Å; I73-T86 HydrophobicContact CG1-CG2 4.12Å
87	F	94.6	Very high	77.9	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	152.9	-177	-58	-80.7	0	0	0	111	L12 Q13 K14 F27 F35 F54 T71 F72 I74 R85	L12-F87 HydrophobicContact CB-CD1 4.37Å; L12-F87 HydrophobicContact CD1-CD1 4.12Å; Q13-F87 CarbonylContact O-C 3.53Å; Q13-F87 VanDerWaalsContact O-CA 3.31Å; Q13-F87 WeakPolarHBondContact O-CA 3.42Å; K14-F87 HydrophobicContact CB-CD1 4.26Å; K14-F87 HydrophobicContact CB-CE1 4.13Å; K14-F87 HydrophobicContact CG-CD1 4.33Å; K14-F87 HydrophobicContact CG-CE1 3.84Å; F27-F87 AromaticContact CE1-CE1 3.98Å; F27-F87 HydrophobicContact CE1-CE1 3.98Å; F27-F87 HydrophobicContact CE1-CZ 4.45Å; F27-F87 HydrophobicContact CE2-CD1 4.29Å; F27-F87 AromaticContact CE2-CE1 3.87Å; F27-F87 HydrophobicContact CE2-CE1 3.87Å; F27-F87 HydrophobicContact CZ-CD1 4.34Å; F27-F87 AromaticContact CZ-CE1 3.48Å; F27-F87 HydrophobicContact CZ-CE1 3.48Å; F27-F87 VanDerWaalsContact CZ-CE1 3.48Å; F27-F87 HydrophobicContact CZ-CZ 4.29Å; F35-F87 HydrophobicContact CE1-CE1 4.29Å; F35-F87 HydrophobicContact CE1-CE2 4.26Å; F35-F87 AromaticContact CE1-CZ 3.99Å; F35-F87 HydrophobicContact CE1-CZ 3.99Å; F54-F87 HydrophobicContact CE1-CZ 4.32Å; F54-F87 HydrophobicContact CZ-CE2 4.25Å; F54-F87 AromaticContact CZ-CZ 3.67Å; F54-F87 HydrophobicContact CZ-CZ 3.67Å; T71-F87 CarbonylContact C-O 3.53Å; T71-F87 VanDerWaalsContact CA-O 3.24Å; T71-F87 WeakPolarHBondContact CA-O 3.34Å; T71-F87 WeakPolarHBondContact CG2-O 3.4Å; F72-F87 HydrophobicContact CD1-CB 3.86Å; F72-F87 HydrophobicContact CD2-CB 4.04Å; F72-F87 HydrophobicContact CD2-CD2 4.02Å; F72-F87 HydrophobicContact CD2-CG 4.42Å; F72-F87 HydrophobicContact CE1-CB 3.44Å; F72-F87 VanDerWaalsContact CE1-CB 3.44Å; F72-F87 HydrophobicContact CE1-CG 4.4Å; F72-F87 HydrophobicContact CE2-CB 3.62Å; F72-F87 AromaticContact CE2-CD2 3.59Å; F72-F87 HydrophobicContact CE2-CD2 3.59Å; F72-F87 AromaticContact CE2-CG 3.79Å; F72-F87 HydrophobicContact CE2-CG 3.79Å; F72-F87 HydrophobicContact CG-CB 4.17Å; F72-F87 HydrophobicContact CZ-CB 3.32Å; F72-F87 HydrophobicContact CZ-CD2 4.1Å; F72-F87 AromaticContact CZ-CG 3.8Å; F72-F87 HydrophobicContact CZ-CG 3.8Å; F72-F87 PolarHBondContact N-O 3.2Å; F72-F87 PolarHBondContact O-N 2.84Å; I74-F87 HydrophobicContact CB-CE2 4.3Å; I74-F87 HydrophobicContact CD1-CD2 4.06Å; I74-F87 HydrophobicContact CD1-CE2 3.53Å; I74-F87 HydrophobicContact CD1-CZ 4.34Å; I74-F87 HydrophobicContact CG1-CD2 4.01Å; I74-F87 HydrophobicContact CG1-CE2 3.72Å; R85-F87 HydrophobicContact CB-CE2 3.43Å; R85-F87 VanDerWaalsContact CB-CE2 3.43Å; R85-F87 HydrophobicContact CB-CZ 3.64Å; R85-F87 WeakPolarHBondContact O-CD2 3.36Å; R85-F87 VanDerWaalsContact O-CE2 3.31Å; R85-F87 WeakPolarHBondContact O-CE2 3.36Å
88	H	94.3	Very high	80.1	Confident	18 Å²	18	65.9 Å²	65.9	8%	0.083	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	146.5	176.4	155.5	67.6	0	0	0	109.7	Q13 W22 P69	Q13-H88 HydrophobicContact CB-CB 4.05Å; Q13-H88 WeakPolarHBondContact CB-O 3.32Å; Q13-H88 PolarHBondContact N-O 3.3Å; Q13-H88 PolarHBondContact O-N 2.73Å; W22-H88 HydrophobicContact CD2-CB 4.43Å; W22-H88 HydrophobicContact CE3-CB 3.79Å; W22-H88 HydrophobicContact CH2-CB 3.51Å; W22-H88 HydrophobicContact CZ2-CB 4.21Å; W22-H88 HydrophobicContact CZ3-CB 3.31Å; P69-H88 PolarHBondContact O-ND1 2.87Å
89	V	95.8	Very high	82.2	Confident	5 Å²	5	62.4 Å²	62.4	3%	0.03	32%	0.318	C	S	.	.			trans	-134.7	165.5	175.6	-70.1	0	0	0	0	110	L12 N70 F72 S91 E94 R95	L12-V89 HydrophobicContact CD2-CG1 3.24Å; N70-V89 HydrophobicContact CB-CG2 4.17Å; N70-V89 VanDerWaalsContact CB-O 3.28Å; N70-V89 WeakPolarHBondContact CB-O 3.15Å; N70-V89 PolarHBondContact O-N 3.27Å; F72-V89 HydrophobicContact CE1-CG1 4.27Å; V89-S91 WeakPolarHBondContact CG2-O 3.06Å; V89-E94 HydrophobicContact CB-CB 4.05Å; V89-E94 HydrophobicContact CG1-CB 4.42Å; V89-E94 HydrophobicContact CG2-CB 4.06Å; V89-R95 HydrophobicContact CG2-CB 3.58Å
90	D	93.3	Very high	84.5	Confident	129 Å²	129	56.7 Å²	56.7	69%	0.69	30%	0.301	S	S	*	.	S	Bend	trans	-78.6	-25.6	-171.9	-66.5	-35.6	0	0	0	112.7	N70	N70-D90 PolarHBondContact ND2-O 3.01Å
91	S	94.9	Very high	87.3	Confident	31 Å²	31	51.5 Å²	51.5	22%	0.217	27%	0.271	C	S	.	.	S	Bend	trans	-127.2	152.2	-178.4	69.6	0	0	0	0	114.1	V89 D93 E94 R95	V89-S91 WeakPolarHBondContact CG2-O 3.06Å; S91-D93 VanDerWaalsContact C-N 3.28Å; S91-D93 PolarHBondContact O-N 2.73Å; S91-E94 WeakPolarHBondContact OG-CB 2.97Å; S91-E94 VanDerWaalsContact OG-CG 3.26Å; S91-E94 WeakPolarHBondContact OG-CG 3.4Å; S91-E94 PolarHBondContact OG-N 3.22Å; S91-E94 PolarHBondContact OG-OE1 3.46Å; S91-R95 PolarHBondContact O-N 2.76Å
92	P	93.6	Very high	89.9	Confident	60 Å²	60	48.4 Å²	48.4	39%	0.39	25%	0.252	S	S	.	.	H	α-helix	trans	-60.9	-36.7	171.6	-19.6	29.6	0	0	0	112.8	N70 R95 D96	N70-P92 WeakPolarHBondContact OD1-CG 3.16Å; P92-R95 WeakPolarHBondContact O-CB 3.4Å; P92-R95 PolarHBondContact O-N 3.37Å; P92-D96 WeakPolarHBondContact O-CB 3.25Å; P92-D96 VanDerWaalsContact O-CG 3.28Å; P92-D96 PolarHBondContact O-N 3.37Å
93	D	95	Very high	91.8	Very high	115 Å²	115	47.4 Å²	47.4	62%	0.615	24%	0.242	S	C	*	.	H	α-helix	trans	-63.1	-46.5	-179.9	-61.2	-22.3	0	0	0	110.5	S91 R95 D96 E97	S91-D93 VanDerWaalsContact C-N 3.28Å; S91-D93 PolarHBondContact O-N 2.73Å; D93-R95 VanDerWaalsContact C-N 3.28Å; D93-R95 PolarHBondContact O-N 3.06Å; D93-D96 PolarHBondContact O-N 3.03Å; D93-E97 WeakPolarHBondContact O-CG 3.44Å; D93-E97 PolarHBondContact O-N 2.83Å
94	E	94.9	Very high	93.2	Very high	73 Å²	73	51.9 Å²	51.9	34%	0.341	26%	0.263	S	S	.	.	H	α-helix	trans	-59.6	-39.1	174	-80	171.9	-133.4	0	0	112.4	V89 S91 D96 W98	V89-E94 HydrophobicContact CB-CB 4.05Å; V89-E94 HydrophobicContact CG1-CB 4.42Å; V89-E94 HydrophobicContact CG2-CB 4.06Å; S91-E94 WeakPolarHBondContact OG-CB 2.97Å; S91-E94 VanDerWaalsContact OG-CG 3.26Å; S91-E94 WeakPolarHBondContact OG-CG 3.4Å; S91-E94 PolarHBondContact OG-N 3.22Å; S91-E94 PolarHBondContact OG-OE1 3.46Å; E94-D96 VanDerWaalsContact C-N 3.32Å; E94-W98 WeakPolarHBondContact O-CB 3.35Å; E94-W98 PolarHBondContact O-N 2.89Å
95	R	96.3	Very high	93.7	Very high	25 Å²	25	48.3 Å²	48.3	9%	0.094	25%	0.247	C	C	.	.	H	α-helix	trans	-63.1	-46.9	178.8	178.9	-173.7	67	-169.7	-6.9	109.3	E65 F72 V89 S91 P92 D93 W98 T99	E65-R95 IonicContact OE1-CZ 2.76Å; E65-R95 IonicContact OE1-NH1 2.67Å; E65-R95 PolarHBondContact OE1-NH1 2.79Å; E65-R95 IonicContact OE1-NH2 2.93Å; F72-R95 HydrophobicContact CB-CG 4.09Å; F72-R95 HydrophobicContact CD1-CG 3.92Å; F72-R95 HydrophobicContact CG-CG 4.36Å; V89-R95 HydrophobicContact CG2-CB 3.58Å; S91-R95 PolarHBondContact O-N 2.76Å; P92-R95 WeakPolarHBondContact O-CB 3.4Å; P92-R95 PolarHBondContact O-N 3.37Å; D93-R95 VanDerWaalsContact C-N 3.28Å; D93-R95 PolarHBondContact O-N 3.06Å; R95-W98 PolarHBondContact O-N 3.24Å; R95-T99 HydrophobicContact CG-CG2 4.35Å; R95-T99 WeakPolarHBondContact O-CB 3.21Å; R95-T99 VanDerWaalsContact O-CG2 3.29Å; R95-T99 WeakPolarHBondContact O-CG2 3.47Å; R95-T99 PolarHBondContact O-N 2.63Å; R95-T99 PolarHBondContact O-OG1 3.38Å
96	D	94.8	Very high	94	Very high	49 Å²	49	46.6 Å²	46.6	26%	0.262	24%	0.241	S	C	.	.	H	α-helix	trans	-64.3	-47.8	-176.9	-70.9	-4.3	0	0	0	109.9	K63 P92 D93 E94 W98 T99 E100	K63-D96 WeakPolarHBondContact CE-OD1 3.18Å; K63-D96 VanDerWaalsContact NZ-CG 3.33Å; K63-D96 IonicContact NZ-OD1 3.94Å; K63-D96 PolarHBondContact NZ-OD1 2.9Å; K63-D96 IonicContact NZ-OD2 2.77Å; P92-D96 WeakPolarHBondContact O-CB 3.25Å; P92-D96 VanDerWaalsContact O-CG 3.28Å; P92-D96 PolarHBondContact O-N 3.37Å; D93-D96 PolarHBondContact O-N 3.03Å; E94-D96 VanDerWaalsContact C-N 3.32Å; D96-W98 PolarHBondContact O-N 3.01Å; D96-T99 WeakPolarHBondContact CA-OG1 3.03Å; D96-T99 PolarHBondContact O-N 3.42Å; D96-T99 PolarHBondContact O-OG1 2.85Å; D96-E100 WeakPolarHBondContact O-CB 3.4Å; D96-E100 WeakPolarHBondContact O-CG 3.38Å; D96-E100 PolarHBondContact O-N 2.84Å
97	E	95.7	Very high	94	Very high	96 Å²	96	48.1 Å²	48.1	45%	0.449	25%	0.249	S	C	.	.	H	α-helix	trans	-58.4	-42.6	175	-69.8	-179.8	-167.6	0	0	113.6	R8 D93 A101	R8-E97 IonicContact CZ-OE2 3.21Å; R8-E97 IonicContact NH1-OE2 2.83Å; R8-E97 PolarHBondContact NH1-OE2 2.92Å; R8-E97 VanDerWaalsContact NH2-CB 3.34Å; R8-E97 IonicContact NH2-OE2 2.69Å; R8-E97 PolarHBondContact NH2-OE2 2.85Å; D93-E97 WeakPolarHBondContact O-CG 3.44Å; D93-E97 PolarHBondContact O-N 2.83Å; E97-A101 WeakPolarHBondContact O-CB 3.4Å; E97-A101 PolarHBondContact O-N 2.85Å; E97-A101 VanDerWaalsContact O-N 3.09Å
98	W	96.6	Very high	93.8	Very high	5 Å²	5	53.3 Å²	53.3	2%	0.019	27%	0.271	C	S	.	.	H	α-helix	trans	-64.8	-46.6	175.6	-88.7	110.6	0	0	0	111.7	R8 L12 F27 L29 F35 F72 E94 R95 D96 A101 I102	R8-W98 HydrophobicContact CB-CE3 4.49Å; R8-W98 HydrophobicContact CB-CH2 4.4Å; R8-W98 HydrophobicContact CB-CZ3 4.01Å; R8-W98 HydrophobicContact CG-CD2 4.34Å; R8-W98 HydrophobicContact CG-CE3 4.02Å; R8-W98 HydrophobicContact CG-CH2 3.88Å; R8-W98 HydrophobicContact CG-CZ2 4.2Å; R8-W98 HydrophobicContact CG-CZ3 3.75Å; R8-W98 VanDerWaalsContact NE-CD2 3.31Å; L12-W98 HydrophobicContact CD1-CD2 4.27Å; L12-W98 HydrophobicContact CD1-CE3 4.45Å; L12-W98 HydrophobicContact CD1-CH2 4.47Å; L12-W98 HydrophobicContact CD1-CZ2 4.29Å; L12-W98 HydrophobicContact CD2-CD2 4.12Å; L12-W98 HydrophobicContact CD2-CG 4.09Å; L12-W98 HydrophobicContact CD2-CZ2 4.31Å; L12-W98 HydrophobicContact CG-CZ2 4.14Å; F27-W98 HydrophobicContact CB-CH2 4.16Å; L29-W98 HydrophobicContact CB-CZ3 4.33Å; F35-W98 HydrophobicContact CE2-CE3 4.19Å; F35-W98 HydrophobicContact CE2-CH2 4.31Å; F35-W98 AromaticContact CE2-CZ3 3.62Å; F35-W98 HydrophobicContact CE2-CZ3 3.62Å; F35-W98 HydrophobicContact CZ-CE3 4.39Å; F35-W98 HydrophobicContact CZ-CZ3 4.18Å; F72-W98 HydrophobicContact CE1-CB 4.42Å; F72-W98 HydrophobicContact CZ-CB 4.16Å; E94-W98 WeakPolarHBondContact O-CB 3.35Å; E94-W98 PolarHBondContact O-N 2.89Å; R95-W98 PolarHBondContact O-N 3.24Å; D96-W98 PolarHBondContact O-N 3.01Å; W98-A101 PolarHBondContact O-N 2.57Å; W98-I102 WeakPolarHBondContact O-CD1 3.27Å; W98-I102 VanDerWaalsContact O-CG1 3.23Å; W98-I102 WeakPolarHBondContact O-CG1 3.17Å; W98-I102 PolarHBondContact O-N 3.5Å
99	T	95	Very high	93.4	Very high	7 Å²	7	53.8 Å²	53.8	4%	0.043	27%	0.274	C	S	.	.	H	α-helix	trans	-65.6	-38.1	-179.7	56.3	0	0	0	0	112.3	L61 K63 F72 R95 D96 I102 Q103	L61-T99 VanDerWaalsContact CD1-O 3.23Å; L61-T99 WeakPolarHBondContact CD1-O 3.25Å; L61-T99 HydrophobicContact CD2-CG2 4.48Å; K63-T99 WeakPolarHBondContact CE-OG1 3.21Å; K63-T99 HydrophobicContact CG-CG2 4.47Å; K63-T99 PolarHBondContact NZ-OG1 3.28Å; F72-T99 HydrophobicContact CB-CG2 3.85Å; F72-T99 HydrophobicContact CD2-CG2 4.06Å; F72-T99 HydrophobicContact CG-CG2 3.97Å; R95-T99 HydrophobicContact CG-CG2 4.35Å; R95-T99 WeakPolarHBondContact O-CB 3.21Å; R95-T99 VanDerWaalsContact O-CG2 3.29Å; R95-T99 WeakPolarHBondContact O-CG2 3.47Å; R95-T99 PolarHBondContact O-N 2.63Å; R95-T99 PolarHBondContact O-OG1 3.38Å; D96-T99 WeakPolarHBondContact CA-OG1 3.03Å; D96-T99 PolarHBondContact O-N 3.42Å; D96-T99 PolarHBondContact O-OG1 2.85Å; T99-I102 PolarHBondContact O-N 3.15Å; T99-Q103 WeakPolarHBondContact O-CB 3.4Å; T99-Q103 PolarHBondContact O-N 2.92Å
100	E	95.1	Very high	92.9	Very high	127 Å²	127	57.7 Å²	57.7	59%	0.593	29%	0.292	S	S	*	.	H	α-helix	trans	-65.6	-44.1	176	-75.4	178.5	-174.6	0	0	111.8	D96 I102 Q103 M104	D96-E100 WeakPolarHBondContact O-CB 3.4Å; D96-E100 WeakPolarHBondContact O-CG 3.38Å; D96-E100 PolarHBondContact O-N 2.84Å; E100-I102 PolarHBondContact O-N 3.38Å; E100-Q103 PolarHBondContact O-N 2.89Å; E100-M104 VanDerWaalsContact O-CB 3.3Å; E100-M104 WeakPolarHBondContact O-CB 3.39Å; E100-M104 PolarHBondContact O-N 3.1Å
101	A	94.8	Very high	92.4	Very high	12 Å²	12	58.6 Å²	58.6	10%	0.099	29%	0.286	C	S	.	.	H	α-helix	trans	-61.7	-43.9	176.4	0	0	0	0	0	111.7	R8 L29 E97 W98 M104 V105	R8-A101 HydrophobicContact CB-CB 4.28Å; L29-A101 HydrophobicContact CD2-CB 3.87Å; E97-A101 WeakPolarHBondContact O-CB 3.4Å; E97-A101 PolarHBondContact O-N 2.85Å; E97-A101 VanDerWaalsContact O-N 3.09Å; W98-A101 PolarHBondContact O-N 2.57Å; A101-M104 PolarHBondContact O-N 2.86Å; A101-V105 WeakPolarHBondContact O-CG2 3.32Å; A101-V105 PolarHBondContact O-N 3.4Å; A101-V105 VanDerWaalsContact O-N 3.16Å
102	I	93.9	Very high	91.7	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64.6	-46	177.9	-66.5	162.3	0	0	0	110.7	L29 F35 V56 L61 F72 I74 W98 T99 E100 M104 V105 A106	L29-I102 HydrophobicContact CD1-CG1 4.4Å; L29-I102 HydrophobicContact CD2-CG1 3.96Å; F35-I102 HydrophobicContact CE1-CD1 4.4Å; F35-I102 HydrophobicContact CZ-CD1 4.28Å; V56-I102 HydrophobicContact CB-CG2 3.86Å; V56-I102 HydrophobicContact CG1-CG2 3.8Å; V56-I102 HydrophobicContact CG2-CG2 4.27Å; L61-I102 HydrophobicContact CD1-CB 4.03Å; L61-I102 HydrophobicContact CD1-CG2 3.9Å; L61-I102 HydrophobicContact CD2-CG2 4.09Å; L61-I102 HydrophobicContact CG-CG2 4.3Å; F72-I102 HydrophobicContact CE2-CD1 4.01Å; I74-I102 HydrophobicContact CD1-CD1 3.83Å; W98-I102 WeakPolarHBondContact O-CD1 3.27Å; W98-I102 VanDerWaalsContact O-CG1 3.23Å; W98-I102 WeakPolarHBondContact O-CG1 3.17Å; W98-I102 PolarHBondContact O-N 3.5Å; T99-I102 PolarHBondContact O-N 3.15Å; E100-I102 PolarHBondContact O-N 3.38Å; I102-M104 VanDerWaalsContact C-N 3.34Å; I102-M104 PolarHBondContact O-N 2.96Å; I102-V105 PolarHBondContact O-N 3.42Å; I102-A106 WeakPolarHBondContact O-CB 3.4Å; I102-A106 PolarHBondContact O-N 2.77Å
103	Q	92.8	Very high	90.8	Very high	67 Å²	67	62.2 Å²	62.2	31%	0.313	29%	0.294	S	S	.	.	H	α-helix	trans	-62.1	-42.7	178.7	-168	63.8	58.1	0	0	111.3	L61 T99 E100 V105 A106 D107	L61-Q103 HydrophobicContact CD1-CB 3.96Å; T99-Q103 WeakPolarHBondContact O-CB 3.4Å; T99-Q103 PolarHBondContact O-N 2.92Å; E100-Q103 PolarHBondContact O-N 2.89Å; Q103-V105 VanDerWaalsContact C-N 3.32Å; Q103-V105 PolarHBondContact O-N 3.39Å; Q103-A106 PolarHBondContact O-N 2.86Å; Q103-D107 PolarHBondContact NE2-OD1 2.99Å; Q103-D107 WeakPolarHBondContact O-CB 3.36Å; Q103-D107 VanDerWaalsContact O-CG 3.23Å; Q103-D107 PolarHBondContact O-N 2.89Å
104	M	92.9	Very high	89.7	Confident	127 Å²	127	61.5 Å²	61.5	63%	0.626	29%	0.287	S	S	*	.	H	α-helix	trans	-58.7	-43.1	177.5	-174.8	-166.5	-58.1	0	0	112	E100 A101 I102 K108	E100-M104 VanDerWaalsContact O-CB 3.3Å; E100-M104 WeakPolarHBondContact O-CB 3.39Å; E100-M104 PolarHBondContact O-N 3.1Å; A101-M104 PolarHBondContact O-N 2.86Å; I102-M104 VanDerWaalsContact C-N 3.34Å; I102-M104 PolarHBondContact O-N 2.96Å; M104-K108 WeakPolarHBondContact O-CB 3.16Å; M104-K108 PolarHBondContact O-N 3.12Å; M104-K108 VanDerWaalsContact O-N 3.13Å
105	V	92.1	Very high	88.4	Confident	8 Å²	8	64 Å²	64	5%	0.048	30%	0.299	C	S	.	.	H	α-helix	trans	-68.1	-44.5	177	174.5	0	0	0	0	110.9	V7 L29 V56 A101 I102 Q103 D107 K108 L109	V7-V105 HydrophobicContact CB-CG2 4.24Å; V7-V105 HydrophobicContact CG1-CG2 4Å; V7-V105 HydrophobicContact CG2-CG2 3.87Å; L29-V105 HydrophobicContact CD1-CG2 4.44Å; L29-V105 HydrophobicContact CD2-CG2 4Å; L29-V105 HydrophobicContact CG-CG2 4.19Å; V56-V105 HydrophobicContact CG2-CB 4.38Å; V56-V105 HydrophobicContact CG2-CG1 3.99Å; A101-V105 WeakPolarHBondContact O-CG2 3.32Å; A101-V105 PolarHBondContact O-N 3.4Å; A101-V105 VanDerWaalsContact O-N 3.16Å; I102-V105 PolarHBondContact O-N 3.42Å; Q103-V105 VanDerWaalsContact C-N 3.32Å; Q103-V105 PolarHBondContact O-N 3.39Å; V105-D107 PolarHBondContact O-N 3.18Å; V105-K108 PolarHBondContact O-N 2.68Å; V105-L109 HydrophobicContact CG1-CD1 4.01Å; V105-L109 WeakPolarHBondContact O-CG 3.38Å; V105-L109 PolarHBondContact O-N 3.12Å; V105-L109 VanDerWaalsContact O-N 3.08Å
106	A	89	Confident	86.8	Confident	4 Å²	4	72.8 Å²	72.8	3%	0.033	33%	0.332	C	S	.	.	H	α-helix	trans	-59.7	-47	178.3	0	0	0	0	0	112.2	V56 I102 Q103 K108 L109 Q110	V56-A106 WeakPolarHBondContact O-CB 3.33Å; I102-A106 WeakPolarHBondContact O-CB 3.4Å; I102-A106 PolarHBondContact O-N 2.77Å; Q103-A106 PolarHBondContact O-N 2.86Å; A106-K108 VanDerWaalsContact C-N 3.34Å; A106-K108 PolarHBondContact O-N 2.78Å; A106-L109 PolarHBondContact O-N 2.8Å; A106-Q110 PolarHBondContact O-N 2.86Å
107	D	89.3	Confident	85	Confident	53 Å²	53	76.1 Å²	76.1	28%	0.283	35%	0.349	S	S	.	.	H	α-helix	trans	-63.5	-39.9	178.9	-70.1	-5	0	0	0	111.7	Q103 V105 Q110 R111	Q103-D107 PolarHBondContact NE2-OD1 2.99Å; Q103-D107 WeakPolarHBondContact O-CB 3.36Å; Q103-D107 VanDerWaalsContact O-CG 3.23Å; Q103-D107 PolarHBondContact O-N 2.89Å; V105-D107 PolarHBondContact O-N 3.18Å; D107-Q110 PolarHBondContact O-N 3.29Å; D107-R111 WeakPolarHBondContact O-CG 3.28Å; D107-R111 PolarHBondContact O-N 3.4Å
108	K	89.7	Confident	82.8	Confident	108 Å²	108	79.7 Å²	79.7	47%	0.47	37%	0.366	S	S	.	.	H	α-helix	trans	-63.6	-42.3	178.1	-176.6	176.8	179.6	-178.8	0	111.4	M104 V105 A106 R111 Q112	M104-K108 WeakPolarHBondContact O-CB 3.16Å; M104-K108 PolarHBondContact O-N 3.12Å; M104-K108 VanDerWaalsContact O-N 3.13Å; V105-K108 PolarHBondContact O-N 2.68Å; A106-K108 VanDerWaalsContact C-N 3.34Å; A106-K108 PolarHBondContact O-N 2.78Å; K108-R111 PolarHBondContact O-N 3.11Å; K108-Q112 WeakPolarHBondContact O-CG 3.35Å; K108-Q112 PolarHBondContact O-N 3.28Å; K108-Q112 VanDerWaalsContact O-N 3.13Å
109	L	86.4	Confident	80	Confident	28 Å²	28	84.8 Å²	84.8	15%	0.147	40%	0.4	C	S	.	.	H	α-helix	trans	-66.7	-38.6	177.4	-67.7	168.4	0	0	0	111.6	G33 A57 V105 A106 Q112 E113	G33-L109 VanDerWaalsContact CA-CD1 3.48Å; A57-L109 HydrophobicContact CB-CD1 4.09Å; V105-L109 HydrophobicContact CG1-CD1 4.01Å; V105-L109 WeakPolarHBondContact O-CG 3.38Å; V105-L109 PolarHBondContact O-N 3.12Å; V105-L109 VanDerWaalsContact O-N 3.08Å; A106-L109 PolarHBondContact O-N 2.8Å; L109-Q112 PolarHBondContact O-N 3.09Å; L109-E113 PolarHBondContact O-N 3.32Å; L109-E113 VanDerWaalsContact O-N 3.08Å
110	Q	84.2	Confident	77	Confident	87 Å²	87	88.5 Å²	88.5	41%	0.407	43%	0.427	S	S	.	.	H	α-helix	trans	-62.4	-46.5	175.8	-176.4	174.3	-9.4	0	0	111.9	A106 D107 Q112 E113 E114	A106-Q110 PolarHBondContact O-N 2.86Å; D107-Q110 PolarHBondContact O-N 3.29Å; Q110-Q112 VanDerWaalsContact C-N 3.35Å; Q110-Q112 PolarHBondContact O-N 2.91Å; Q110-E113 PolarHBondContact O-N 2.84Å; Q110-E113 VanDerWaalsContact O-N 3.16Å; Q110-E114 WeakPolarHBondContact CG-OE1 3.46Å; Q110-E114 PolarHBondContact NE2-OE1 3.13Å; Q110-E114 WeakPolarHBondContact O-CG 3.32Å; Q110-E114 PolarHBondContact O-N 3.31Å
111	R	83.2	Confident	74.2	Confident	149 Å²	149	88.2 Å²	88.2	56%	0.562	44%	0.436	S	S	*	.	H	α-helix	trans	-61.4	-41.2	177	-68.6	178.4	-154.7	156	8.9	112.4	D107 K108 E113 E114 E115	D107-R111 WeakPolarHBondContact O-CG 3.28Å; D107-R111 PolarHBondContact O-N 3.4Å; K108-R111 PolarHBondContact O-N 3.11Å; R111-E113 VanDerWaalsContact C-N 3.26Å; R111-E113 PolarHBondContact O-N 3.13Å; R111-E114 PolarHBondContact O-N 3.5Å; R111-E115 WeakPolarHBondContact O-CB 3.22Å; R111-E115 VanDerWaalsContact O-CG 3.26Å; R111-E115 WeakPolarHBondContact O-CG 3.49Å; R111-E115 PolarHBondContact O-N 2.99Å
112	Q	81.2	Confident	71.4	Confident	85 Å²	85	94.4 Å²	94.4	40%	0.397	47%	0.473	S	S	.	.	H	α-helix	trans	-63.8	-32.4	176.5	-74.2	-179	-7	0	0	112.9	K108 L109 Q110 R116	K108-Q112 WeakPolarHBondContact O-CG 3.35Å; K108-Q112 PolarHBondContact O-N 3.28Å; K108-Q112 VanDerWaalsContact O-N 3.13Å; L109-Q112 PolarHBondContact O-N 3.09Å; Q110-Q112 VanDerWaalsContact C-N 3.35Å; Q110-Q112 PolarHBondContact O-N 2.91Å; Q112-R116 WeakPolarHBondContact O-CB 3.48Å; Q112-R116 WeakPolarHBondContact O-CG 3.48Å; Q112-R116 PolarHBondContact O-N 2.85Å; Q112-R116 VanDerWaalsContact O-N 3.16Å
113	E	74.3	Confident	68.3	Low	81 Å²	81	98.9 Å²	98.9	38%	0.379	50%	0.504	S	S	.	.	H	α-helix	trans	-74.4	-42.6	176	-159.9	175.4	172.5	0	0	111.1	K58 L109 Q110 R111 R116 I117	K58-E113 WeakPolarHBondContact CE-OE2 3.44Å; K58-E113 IonicContact NZ-OE1 2.68Å; K58-E113 PolarHBondContact NZ-OE1 2.8Å; K58-E113 IonicContact NZ-OE2 3.16Å; K58-E113 PolarHBondContact NZ-OE2 3.06Å; L109-E113 PolarHBondContact O-N 3.32Å; L109-E113 VanDerWaalsContact O-N 3.08Å; Q110-E113 PolarHBondContact O-N 2.84Å; Q110-E113 VanDerWaalsContact O-N 3.16Å; R111-E113 VanDerWaalsContact C-N 3.26Å; R111-E113 PolarHBondContact O-N 3.13Å; E113-R116 PolarHBondContact O-N 3.16Å; E113-I117 HydrophobicContact CG-CD1 4.29Å; E113-I117 WeakPolarHBondContact O-CD1 3.28Å; E113-I117 VanDerWaalsContact O-CG1 3.25Å; E113-I117 WeakPolarHBondContact O-CG1 3.41Å; E113-I117 PolarHBondContact O-N 2.85Å
114	E	71.8	Confident	65.3	Low	100 Å²	100	103.1 Å²	103.1	47%	0.467	53%	0.529	S	S	.	.	H	α-helix	trans	-62.6	-42.3	174.7	-71.1	171.1	-174.2	0	0	112	Q110 R111 R116 I117 Q118	Q110-E114 WeakPolarHBondContact CG-OE1 3.46Å; Q110-E114 PolarHBondContact NE2-OE1 3.13Å; Q110-E114 WeakPolarHBondContact O-CG 3.32Å; Q110-E114 PolarHBondContact O-N 3.31Å; R111-E114 PolarHBondContact O-N 3.5Å; E114-R116 VanDerWaalsContact C-N 3.33Å; E114-R116 PolarHBondContact O-N 3.35Å; E114-I117 PolarHBondContact O-N 3.04Å; E114-Q118 PolarHBondContact O-N 2.91Å
115	E	68.4	Low	62.5	Low	127 Å²	127	104.7 Å²	104.7	59%	0.593	54%	0.538	S	S	*	.	H	α-helix	trans	-65.7	-32.2	174.7	-74.4	172.3	-174.8	0	0	112.5	R111	R111-E115 WeakPolarHBondContact O-CB 3.22Å; R111-E115 VanDerWaalsContact O-CG 3.26Å; R111-E115 WeakPolarHBondContact O-CG 3.49Å; R111-E115 PolarHBondContact O-N 2.99Å
116	R	61.8	Low	59.5	Low	208 Å²	208	110.9 Å²	110.9	79%	0.785	57%	0.571	S	S	*	*	H	α-helix	trans	-71.3	-34.2	172.9	-84.2	-177.8	-179.7	-150.2	2.5	112.7	Q112 E113 E114	Q112-R116 WeakPolarHBondContact O-CB 3.48Å; Q112-R116 WeakPolarHBondContact O-CG 3.48Å; Q112-R116 PolarHBondContact O-N 2.85Å; Q112-R116 VanDerWaalsContact O-N 3.16Å; E113-R116 PolarHBondContact O-N 3.16Å; E114-R116 VanDerWaalsContact C-N 3.33Å; E114-R116 PolarHBondContact O-N 3.35Å
117	I	57.2	Low	56.5	Low	120 Å²	120	117.4 Å²	117.4	62%	0.615	61%	0.605	S	S	*	*	H	α-helix	trans	-75.9	-27.3	179.7	-66.5	164.1	0	0	0	111.2	E113 E114	E113-I117 HydrophobicContact CG-CD1 4.29Å; E113-I117 WeakPolarHBondContact O-CD1 3.28Å; E113-I117 VanDerWaalsContact O-CG1 3.25Å; E113-I117 WeakPolarHBondContact O-CG1 3.41Å; E113-I117 PolarHBondContact O-N 2.85Å; E114-I117 PolarHBondContact O-N 3.04Å
118	Q	49.2	Very low	53.4	Low	171 Å²	171	123.4 Å²	123.4	80%	0.799	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-11.3	175.8	-92.9	176.5	-18.2	0	0	115.2	E114	E114-Q118 PolarHBondContact O-N 2.91Å
119	C	36.8	Very low	50.4	Low	111 Å²	111	123.6 Å²	123.6	75%	0.75	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.1	29.2	-173.7	-99.6	0	0	0	0	115
120	S	32.1	Very low	47.5	Very low	86 Å²	86	131.1 Å²	131.1	60%	0.601	68%	0.678	S	S	*	*			trans	-110.8	111.2	169.5	37.2	0	0	0	0	111.2
121	P	36.8	Very low	44.9	Very low	120 Å²	120	135.9 Å²	135.9	78%	0.779	70%	0.701	S	S	*	*			trans	-75.2	131.5	170.5	-3.4	19.6	0	0	0	110.5
122	T	36.1	Very low	42.4	Very low	142 Å²	142	137.7 Å²	137.7	87%	0.871	72%	0.715	S	S	*	*			trans	-70.6	118.5	165.8	44.1	0	0	0	0	111.5
123	S	29.3	Very low	39.8	Very low	94 Å²	94	142.3 Å²	142.3	66%	0.657	74%	0.739	S	S	*	*			trans	178.8	135.1	159.8	58.2	0	0	0	0	106.9
124	N	28.5	Very low	37.5	Very low	157 Å²	157	145.4 Å²	145.4	84%	0.84	76%	0.758	S	S	*	*			cis	-152.7	148	15.7	-82.2	-41.9	0	0	0	108
125	I	35.5	Very low	35.4	Very low	159 Å²	159	148 Å²	148	82%	0.815	77%	0.774	S	S	*	*			trans	-89.7	119.2	162.5	-66.8	167.9	0	0	0	106
126	D	27.6	Very low	33.4	Very low	139 Å²	139	147 Å²	147	74%	0.743	78%	0.781	S	S	*	*			trans	-171.2	122.4	136	-102.7	-23.6	0	0	0	112.8
127	N	26.8	Very low	31.9	Very low	140 Å²	140	142 Å²	142	75%	0.749	77%	0.773	S	S	*	*			trans	33.7	151.4	144.2	-67.3	-36	0	0	0	124.7
128	M	24.6	Very low	30.6	Very low	179 Å²	179	141.6 Å²	141.6	88%	0.882	78%	0.777	S	S	*	*			trans	99.9	124.8	161.9	-58.2	-166.5	99.5	0	0	113.9
129	V	26	Very low	29.8	Very low	112 Å²	112	141.9 Å²	141.9	68%	0.679	78%	0.778	S	S	*	*			cis	-159.2	140.2	5.7	146.4	0	0	0	0	105.5	E131	V129-E131 PolarHBondContact O-N 3.05Å
130	E	27	Very low	30.1	Very low	186 Å²	186	142.8 Å²	142.8	87%	0.869	77%	0.771	S	S	*	*			trans	-70.5	117.9	169.1	-72.2	174.1	152.5	0	0	109.9
131	E	28.4	Very low	31.4	Very low	188 Å²	188	148.1 Å²	148.1	88%	0.879	78%	0.783	S	S	*	*			trans	-93.7	101.9	159.7	-83.9	-175.6	163.7	0	0	108.5	V129	V129-E131 PolarHBondContact O-N 3.05Å
132	E	30.3	Very low	33.1	Very low	186 Å²	186	151.4 Å²	151.4	87%	0.869	78%	0.78	S	S	*	*			trans	-59.4	128.7	159.7	-71.4	-176	144.9	0	0	109.5
133	M	27.1	Very low	35.5	Very low	183 Å²	183	146.7 Å²	146.7	90%	0.901	75%	0.747	S	S	*	*			trans	-136.4	83.8	159.6	-139.2	178.6	71.7	0	0	110.8
134	D	25.1	Very low	38.3	Very low	146 Å²	146	145.8 Å²	145.8	78%	0.781	73%	0.734	S	S	*	*			trans	47.2	85.9	137.5	-141.5	-2.4	0	0	0	118.2	S136	D134-S136 PolarHBondContact O-N 3.24Å; D134-S136 VanDerWaalsContact O-N 3.12Å
135	I	29.7	Very low	41.2	Very low	155 Å²	155	139 Å²	139	80%	0.795	70%	0.697	S	S	*	*			trans	-73.6	94.8	158.3	-59.9	171.7	0	0	0	106.7	T137	I135-T137 PolarHBondContact O-N 3.13Å
136	S	25.9	Very low	43.8	Very low	106 Å²	106	134.9 Å²	134.9	74%	0.741	68%	0.683	S	S	*	*			trans	-60	106.7	165.9	71.7	0	0	0	0	109	D134 T138	D134-S136 PolarHBondContact O-N 3.24Å; D134-S136 VanDerWaalsContact O-N 3.12Å; S136-T138 PolarHBondContact O-N 2.84Å
137	T	30.8	Very low	46.9	Very low	101 Å²	101	130.8 Å²	130.8	62%	0.62	66%	0.66	S	S	*	*			trans	-62.6	108.7	178.6	41.9	0	0	0	0	110.4	I135	I135-T137 PolarHBondContact O-N 3.13Å
138	T	28.3	Very low	50.2	Low	113 Å²	113	124.2 Å²	124.2	69%	0.693	63%	0.625	S	S	*	*			trans	-96.7	105.2	139.3	42.1	0	0	0	0	106.5	S136 H140	S136-T138 PolarHBondContact O-N 2.84Å; T138-H140 PolarHBondContact O-N 2.7Å
139	H	32.6	Very low	53.5	Low	176 Å²	176	118.7 Å²	118.7	82%	0.815	60%	0.599	S	S	*	*			trans	-62.5	80	174	-84.5	-72.7	0	0	0	110.3	K141	H139-K141 PolarHBondContact O-N 3.35Å
140	H	44.8	Very low	56.7	Low	130 Å²	130	116.4 Å²	116.4	60%	0.602	58%	0.579	S	S	*	*			trans	-78.9	104.1	160.1	-72.9	-31.1	0	0	0	107.6	T138 R142	T138-H140 PolarHBondContact O-N 2.7Å; H140-R142 PolarHBondContact O-N 2.81Å; H140-R142 VanDerWaalsContact O-N 3.13Å
141	K	57.9	Low	59.8	Low	199 Å²	199	111.2 Å²	111.2	87%	0.865	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-49.1	118.8	174.9	-148.4	177.7	-173.1	-177.8	0	108.7	H139 K143	H139-K141 PolarHBondContact O-N 3.35Å; K141-K143 PolarHBondContact O-N 3.14Å
142	R	73.8	Confident	62.7	Low	188 Å²	188	105.2 Å²	105.2	71%	0.709	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-56.3	123.8	-179.9	-175.3	-179.7	-74.5	172.9	-2.1	108.6	H140	H140-R142 PolarHBondContact O-N 2.81Å; H140-R142 VanDerWaalsContact O-N 3.13Å
143	K	84.8	Confident	65.5	Low	43 Å²	43	97 Å²	97	19%	0.187	49%	0.489	C	S	.	.	P	Polyproline II helix	trans	-67.2	141.8	179.8	-72	-61.9	-166.4	174.8	0	111.3	K141 D147 E167 Y213 F215	K141-K143 PolarHBondContact O-N 3.14Å; K143-D147 WeakPolarHBondContact CA-OD2 3.3Å; K143-D147 HydrophobicContact CD-CB 4.43Å; K143-E167 WeakPolarHBondContact CE-OE1 3.29Å; K143-E167 IonicContact NZ-OE1 2.8Å; K143-E167 PolarHBondContact NZ-OE1 3.33Å; K143-Y213 HydrophobicContact CG-CD1 3.74Å; K143-Y213 HydrophobicContact CG-CE1 4.07Å; K143-Y213 HydrophobicContact CG-CG 4Å; K143-F215 HydrophobicContact CB-CD1 4.13Å; K143-F215 WeakPolarHBondContact O-CG 3.13Å
144	M	89.3	Confident	68.3	Low	76 Å²	76	88.8 Å²	88.8	37%	0.374	45%	0.45	S	S	.	.			trans	-131	163.5	-178.6	-59.5	-178.4	71.2	0	0	111.1	S146 D147 F148 F452	M144-S146 PolarHBondContact O-N 2.99Å; M144-D147 PolarHBondContact N-OD2 3.48Å; M144-D147 WeakPolarHBondContact O-CB 3.33Å; M144-D147 PolarHBondContact O-N 3.17Å; M144-F148 WeakPolarHBondContact O-CD2 3.46Å; M144-F452 HydrophobicContact CE-CD2 4.38Å; M144-F452 HydrophobicContact CE-CE2 3.3Å; M144-F452 HydrophobicContact CE-CZ 3.38Å
145	M	88.5	Confident	71	Confident	14 Å²	14	82.6 Å²	82.6	7%	0.069	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-53.4	-35.5	174.5	-69	-63.3	-90.8	0	0	112.6	D147 F148 Y150 M176 I178 F215 T217 I446	M145-D147 PolarHBondContact O-N 2.8Å; M145-F148 PolarHBondContact O-N 3.32Å; M145-Y150 WeakPolarHBondContact CA-OH 3.31Å; M145-Y150 VanDerWaalsContact CB-OH 3.28Å; M145-Y150 WeakPolarHBondContact CB-OH 3.45Å; M145-Y150 HydrophobicContact CE-CE1 4.22Å; M145-Y150 WeakPolarHBondContact CE-OH 3.33Å; M145-Y150 PolarHBondContact O-OH 3.46Å; M145-Y150 VanDerWaalsContact O-OH 3.08Å; M145-Y150 PolarHBondContact SD-OH 3.11Å; M145-M176 HydrophobicContact CE-SD 4.34Å; M145-M176 HydrophobicContact SD-SD 3.82Å; M145-I178 HydrophobicContact CE-CD1 3.83Å; M145-I178 HydrophobicContact CE-CG1 4.4Å; M145-F215 HydrophobicContact CG-CE2 3.82Å; M145-F215 HydrophobicContact CG-CZ 4.34Å; M145-F215 HydrophobicContact SD-CE2 3.61Å; M145-F215 HydrophobicContact SD-CZ 3.74Å; M145-T217 HydrophobicContact CG-CG2 3.95Å; M145-I446 HydrophobicContact CE-CG2 4.25Å
146	S	91.1	Very high	73.1	Confident	73 Å²	73	82.2 Å²	82.2	51%	0.51	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-67.1	-16.5	-179.9	51.6	0	0	0	0	114.7	M144 F148 K168	M144-S146 PolarHBondContact O-N 2.99Å; S146-F148 PolarHBondContact O-N 2.86Å; S146-K168 WeakPolarHBondContact O-CE 3.22Å; S146-K168 PolarHBondContact O-NZ 3.45Å
147	D	92.7	Very high	75.1	Confident	52 Å²	52	79.6 Å²	79.6	28%	0.278	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-78.3	-4.1	-179.5	-61.6	-34.2	0	0	0	113.1	K143 M144 M145 K168	K143-D147 WeakPolarHBondContact CA-OD2 3.3Å; K143-D147 HydrophobicContact CD-CB 4.43Å; M144-D147 PolarHBondContact N-OD2 3.48Å; M144-D147 WeakPolarHBondContact O-CB 3.33Å; M144-D147 PolarHBondContact O-N 3.17Å; M145-D147 PolarHBondContact O-N 2.8Å; D147-K168 WeakPolarHBondContact O-CB 3.44Å; D147-K168 WeakPolarHBondContact O-CG 3.17Å; D147-K168 PolarHBondContact O-N 2.68Å
148	F	94.8	Very high	76.7	Confident	3 Å²	3	79 Å²	79	1%	0.013	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	140.7	-173.5	-60.1	-87.1	0	0	0	111.5	M144 M145 S146 V165 R166 E167 M176 Y213 F215 V224	M144-F148 WeakPolarHBondContact O-CD2 3.46Å; M145-F148 PolarHBondContact O-N 3.32Å; S146-F148 PolarHBondContact O-N 2.86Å; F148-V165 HydrophobicContact CB-CB 4.16Å; F148-V165 HydrophobicContact CD1-CB 4.33Å; F148-V165 HydrophobicContact CD1-CG2 3.87Å; F148-V165 HydrophobicContact CG-CG2 4.45Å; F148-R166 CarbonylContact C-O 3.55Å; F148-R166 WeakPolarHBondContact CA-O 3.19Å; F148-E167 HydrophobicContact CD1-CB 4.11Å; F148-E167 HydrophobicContact CE1-CB 3.94Å; F148-E167 HydrophobicContact CE1-CG 4.25Å; F148-M176 HydrophobicContact CB-CE 4Å; F148-M176 HydrophobicContact CD1-CE 4.09Å; F148-M176 HydrophobicContact CD2-CE 3.45Å; F148-M176 VanDerWaalsContact CD2-CE 3.45Å; F148-M176 HydrophobicContact CE1-CE 4.48Å; F148-M176 HydrophobicContact CE2-CE 3.9Å; F148-M176 HydrophobicContact CG-CE 3.56Å; F148-M176 HydrophobicContact CZ-CE 4.39Å; F148-Y213 HydrophobicContact CE1-CD2 4.36Å; F148-Y213 HydrophobicContact CE1-CE2 4.44Å; F148-Y213 AromaticContact CZ-CD2 3.87Å; F148-Y213 HydrophobicContact CZ-CD2 3.87Å; F148-Y213 HydrophobicContact CZ-CE2 4.2Å; F148-F215 AromaticContact CE2-CE1 3.98Å; F148-F215 HydrophobicContact CE2-CE1 3.98Å; F148-F215 HydrophobicContact CE2-CZ 4.35Å; F148-V224 HydrophobicContact CE1-CG1 4.01Å; F148-V224 HydrophobicContact CE1-CG2 4.37Å; F148-V224 HydrophobicContact CE2-CG2 4.37Å; F148-V224 HydrophobicContact CZ-CG1 4.29Å; F148-V224 HydrophobicContact CZ-CG2 3.96Å
149	D	94.1	Very high	78.7	Confident	63 Å²	63	76.4 Å²	76.4	34%	0.337	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	131.7	164.6	-63.1	-43.5	0	0	0	109	L151 V165 R166 K168	D149-L151 HydrophobicContact CB-CD2 4.4Å; D149-V165 CarbonylContact O-C 3.56Å; D149-V165 WeakPolarHBondContact O-CA 3.24Å; D149-V165 WeakPolarHBondContact O-CB 3.33Å; D149-R166 HydrophobicContact CB-CB 4.35Å; D149-R166 PolarHBondContact N-O 2.76Å; D149-R166 PolarHBondContact O-N 2.99Å; D149-K168 WeakPolarHBondContact OD1-CE 3.5Å; D149-K168 IonicContact OD1-NZ 2.95Å
150	Y	93.8	Very high	80.9	Confident	63 Å²	63	68.9 Å²	68.9	25%	0.247	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	120.5	-178.7	-58.5	-86.6	0	0	0	109.9	M145 I163 V165 M176 I178 I446	M145-Y150 WeakPolarHBondContact CA-OH 3.31Å; M145-Y150 VanDerWaalsContact CB-OH 3.28Å; M145-Y150 WeakPolarHBondContact CB-OH 3.45Å; M145-Y150 HydrophobicContact CE-CE1 4.22Å; M145-Y150 WeakPolarHBondContact CE-OH 3.33Å; M145-Y150 PolarHBondContact O-OH 3.46Å; M145-Y150 VanDerWaalsContact O-OH 3.08Å; M145-Y150 PolarHBondContact SD-OH 3.11Å; Y150-I163 HydrophobicContact CD1-CD1 4.27Å; Y150-I163 HydrophobicContact CD1-CG2 4.09Å; Y150-V165 HydrophobicContact CD1-CG1 3.54Å; Y150-V165 HydrophobicContact CE1-CG1 3.92Å; Y150-V165 HydrophobicContact CG-CG1 4.39Å; Y150-M176 HydrophobicContact CE1-CE 4.42Å; Y150-M176 HydrophobicContact CE1-SD 3.86Å; Y150-I178 HydrophobicContact CE1-CD1 4.42Å; Y150-I446 HydrophobicContact CD1-CD1 3.13Å; Y150-I446 HydrophobicContact CD2-CD1 3.59Å; Y150-I446 HydrophobicContact CE1-CD1 3.2Å; Y150-I446 HydrophobicContact CE2-CD1 3.66Å; Y150-I446 HydrophobicContact CG-CD1 3.32Å; Y150-I446 VanDerWaalsContact CZ-CD1 3.46Å
151	L	91.3	Very high	82.8	Confident	78 Å²	78	64.9 Å²	64.9	41%	0.408	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-60.2	-166.8	-56.8	179	0	0	0	112.9	D149 L164 R166 Y173 T430 I444	D149-L151 HydrophobicContact CB-CD2 4.4Å; L151-L164 HydrophobicContact CB-CD2 4.39Å; L151-L164 HydrophobicContact CB-CG 4.22Å; L151-L164 WeakPolarHBondContact CB-O 3.44Å; L151-L164 HydrophobicContact CD1-CD2 4.5Å; L151-L164 HydrophobicContact CD1-CG 4.26Å; L151-L164 PolarHBondContact N-O 3.14Å; L151-R166 HydrophobicContact CD1-CB 3.94Å; L151-Y173 HydrophobicContact CD1-CD1 3.65Å; L151-Y173 HydrophobicContact CD1-CE1 3.47Å; L151-Y173 VanDerWaalsContact CD1-CE1 3.47Å; L151-T430 HydrophobicContact CD1-CG2 4.46Å; L151-I444 WeakPolarHBondContact O-CD1 3.27Å
152	K	89.8	Confident	84.3	Confident	62 Å²	62	57.4 Å²	57.4	27%	0.27	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	140.3	-177	-137.2	177	-161.9	-150.7	0	112.2	L154 I163 L164 T432 T440	K152-L154 PolarHBondContact O-N 2.8Å; K152-I163 CarbonylContact O-C 3.54Å; K152-I163 WeakPolarHBondContact O-CA 3.34Å; K152-I163 WeakPolarHBondContact O-CG2 3.31Å; K152-L164 HydrophobicContact CB-CB 4.22Å; K152-L164 HydrophobicContact CB-CD2 4.4Å; K152-L164 PolarHBondContact N-O 2.82Å; K152-L164 PolarHBondContact O-N 2.82Å; K152-T432 HydrophobicContact CB-CG2 4.46Å; K152-T432 HydrophobicContact CD-CG2 3.64Å; K152-T432 WeakPolarHBondContact CD-OG1 3.42Å; K152-T432 WeakPolarHBondContact CE-OG1 3.43Å; K152-T432 PolarHBondContact NZ-OG1 3.24Å; K152-T440 HydrophobicContact CD-CG2 3.96Å; K152-T440 VanDerWaalsContact CE-CB 3.41Å; K152-T440 VanDerWaalsContact CE-O 3.22Å; K152-T440 WeakPolarHBondContact CE-O 3.3Å; K152-T440 HydrophobicContact CG-CG2 4.41Å; K152-T440 PolarHBondContact NZ-OG1 3.22Å; K152-T440 VanDerWaalsContact NZ-OG1 3.11Å
153	L	89.3	Confident	85.2	Confident	12 Å²	12	48.5 Å²	48.5	6%	0.063	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	121.3	168.5	-180	70.3	0	0	0	108.1	G155 K161 I163 F439 T440 Q442	L153-G155 WeakPolarHBondContact CD1-O 3.08Å; L153-K161 HydrophobicContact CD1-CB 3.86Å; L153-K161 HydrophobicContact CD1-CD 4.28Å; L153-I163 HydrophobicContact CD1-CG1 4.2Å; L153-F439 HydrophobicContact CD2-CB 4.29Å; L153-F439 HydrophobicContact CG-CB 4.25Å; L153-F439 CarbonylContact O-C 3.34Å; L153-T440 WeakPolarHBondContact O-CA 3.37Å; L153-T440 WeakPolarHBondContact O-CG2 3.26Å; L153-Q442 HydrophobicContact CD2-CB 4.08Å
154	L	85.4	Confident	85.6	Confident	12 Å²	12	46.6 Å²	46.6	6%	0.063	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-32.7	-179.3	-62.4	179.1	0	0	0	111.8	K152 V162 L164 A175 Y227 T432 F435	K152-L154 PolarHBondContact O-N 2.8Å; L154-V162 HydrophobicContact CB-CB 4.47Å; L154-V162 HydrophobicContact CB-CG1 4.3Å; L154-V162 HydrophobicContact CD1-CG1 4.3Å; L154-V162 PolarHBondContact N-O 2.93Å; L154-L164 HydrophobicContact CD1-CB 3.94Å; L154-L164 HydrophobicContact CD2-CB 3.92Å; L154-L164 HydrophobicContact CG-CB 3.9Å; L154-A175 HydrophobicContact CD1-CB 4.24Å; L154-Y227 HydrophobicContact CD1-CD2 3.83Å; L154-Y227 HydrophobicContact CD1-CE2 3.54Å; L154-Y227 HydrophobicContact CD2-CE2 4.01Å; L154-Y227 HydrophobicContact CG-CE2 4.43Å; L154-T432 HydrophobicContact CD2-CG2 3.93Å; L154-F435 HydrophobicContact CB-CD1 3.89Å; L154-F435 HydrophobicContact CB-CE1 3.89Å; L154-F435 HydrophobicContact CD1-CE1 4.15Å; L154-F435 HydrophobicContact CD1-CZ 4.29Å; L154-F435 HydrophobicContact CD2-CD1 3.78Å; L154-F435 HydrophobicContact CD2-CD2 4.05Å; L154-F435 HydrophobicContact CD2-CE1 3.79Å; L154-F435 HydrophobicContact CD2-CE2 4.05Å; L154-F435 HydrophobicContact CD2-CG 3.91Å; L154-F435 HydrophobicContact CD2-CZ 3.93Å; L154-F435 HydrophobicContact CG-CD1 4.34Å; L154-F435 HydrophobicContact CG-CE1 4.14Å
155	G	82	Confident	85.9	Confident	16 Å²	16	43 Å²	43	17%	0.165	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.5	160.6	179.3	0	0	0	0	0	112.6	L153 K161 V162	L153-G155 WeakPolarHBondContact CD1-O 3.08Å; G155-K161 WeakPolarHBondContact O-CA 3.4Å; G155-V162 PolarHBondContact N-O 2.89Å; G155-V162 PolarHBondContact O-N 3.5Å
156	K	74.9	Confident	86.2	Confident	146 Å²	146	47.2 Å²	47.2	64%	0.635	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.7	120.6	177.2	-172.2	-179.7	177.2	-174.2	0	109.2	F439	K156-F439 HydrophobicContact CB-CD1 4.27Å; K156-F439 HydrophobicContact CB-CE1 4.1Å
157	G	66.6	Low	86.4	Confident	51 Å²	51	44.2 Å²	44.2	53%	0.526	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	178.8	177.6	0	0	0	0	0	112.1	F159 G160	G157-F159 PolarHBondContact O-N 2.78Å; G157-G160 PolarHBondContact N-O 2.92Å; G157-G160 PolarHBondContact O-N 3.1Å
158	T	65.2	Low	86.4	Confident	89 Å²	89	47.3 Å²	47.3	55%	0.546	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-37.4	178.7	-56.7	0	0	0	0	113.5	K187	T158-K187 HydrophobicContact CG2-CD 3.87Å
159	F	70.4	Confident	86.3	Confident	59 Å²	59	51.4 Å²	51.4	26%	0.259	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-9.2	-171.1	-52.2	-72.8	0	0	0	113.7	G157 L179 K180 V183 K187 E189	G157-F159 PolarHBondContact O-N 2.78Å; F159-L179 HydrophobicContact CB-CD2 4.06Å; F159-L179 WeakPolarHBondContact O-CA 3.47Å; F159-K180 PolarHBondContact O-N 3.2Å; F159-V183 HydrophobicContact CD1-CG1 4.09Å; F159-K187 HydrophobicContact CD1-CD 4.12Å; F159-K187 HydrophobicContact CE1-CB 3.8Å; F159-K187 HydrophobicContact CE1-CD 3.42Å; F159-K187 VanDerWaalsContact CE1-CD 3.42Å; F159-K187 HydrophobicContact CE1-CG 4.16Å; F159-K187 HydrophobicContact CZ-CD 4.19Å; F159-E189 HydrophobicContact CE1-CB 4.04Å; F159-E189 HydrophobicContact CE1-CG 3.59Å; F159-E189 HydrophobicContact CZ-CB 4.36Å; F159-E189 HydrophobicContact CZ-CG 3.61Å
160	G	79.3	Confident	86.3	Confident	18 Å²	18	51.2 Å²	51.2	19%	0.186	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.4	-161.2	-167.3	0	0	0	0	0	114.8	G157 I178	G157-G160 PolarHBondContact N-O 2.92Å; G157-G160 PolarHBondContact O-N 3.1Å; G160-I178 CarbonylContact C-O 3.57Å; G160-I178 WeakPolarHBondContact CA-O 3.36Å
161	K	85	Confident	86.2	Confident	45 Å²	45	49.1 Å²	49.1	20%	0.196	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	151.1	-177.7	55.8	-179.5	174.8	173	0	111.4	L153 G155 I163 I178 T445	L153-K161 HydrophobicContact CD1-CB 3.86Å; L153-K161 HydrophobicContact CD1-CD 4.28Å; G155-K161 WeakPolarHBondContact O-CA 3.4Å; K161-I163 HydrophobicContact CD-CD1 3.87Å; K161-I163 HydrophobicContact CD-CG1 4.24Å; K161-I163 HydrophobicContact CG-CD1 4.24Å; K161-I163 HydrophobicContact CG-CG1 4.24Å; K161-I178 HydrophobicContact CG-CB 4.41Å; K161-I178 PolarHBondContact N-O 2.79Å; K161-I178 PolarHBondContact O-N 2.87Å; K161-T445 PolarHBondContact NZ-O 3.48Å
162	V	88.9	Confident	86.2	Confident	42 Å²	42	51.2 Å²	51.2	26%	0.255	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	124.4	174.2	-173.4	0	0	0	0	108.2	L154 G155 A175 M176 K177	L154-V162 HydrophobicContact CB-CB 4.47Å; L154-V162 HydrophobicContact CB-CG1 4.3Å; L154-V162 HydrophobicContact CD1-CG1 4.3Å; L154-V162 PolarHBondContact N-O 2.93Å; G155-V162 PolarHBondContact N-O 2.89Å; G155-V162 PolarHBondContact O-N 3.5Å; V162-A175 HydrophobicContact CG1-CB 4.09Å; V162-M176 WeakPolarHBondContact CA-O 3.48Å; V162-K177 HydrophobicContact CG2-CB 4.28Å; V162-K177 HydrophobicContact CG2-CG 4.17Å
163	I	91.4	Very high	86.4	Confident	1 Å²	1	51 Å²	51	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	133.7	-175.7	-52.1	-178.2	0	0	0	109.2	Y150 K152 L153 K161 V165 M176 I178 I444 I446	Y150-I163 HydrophobicContact CD1-CD1 4.27Å; Y150-I163 HydrophobicContact CD1-CG2 4.09Å; K152-I163 CarbonylContact O-C 3.54Å; K152-I163 WeakPolarHBondContact O-CA 3.34Å; K152-I163 WeakPolarHBondContact O-CG2 3.31Å; L153-I163 HydrophobicContact CD1-CG1 4.2Å; K161-I163 HydrophobicContact CD-CD1 3.87Å; K161-I163 HydrophobicContact CD-CG1 4.24Å; K161-I163 HydrophobicContact CG-CD1 4.24Å; K161-I163 HydrophobicContact CG-CG1 4.24Å; I163-V165 HydrophobicContact CB-CG1 4.38Å; I163-V165 HydrophobicContact CG2-CG1 4.21Å; I163-V165 PolarHBondContact O-N 3.24Å; I163-M176 PolarHBondContact N-O 2.92Å; I163-M176 PolarHBondContact O-N 2.61Å; I163-I178 HydrophobicContact CD1-CD1 3.68Å; I163-I178 HydrophobicContact CG1-CD1 4.3Å; I163-I444 HydrophobicContact CD1-CG2 4.13Å; I163-I444 HydrophobicContact CG2-CD1 3.78Å; I163-I444 HydrophobicContact CG2-CG1 4.5Å; I163-I446 HydrophobicContact CD1-CD1 3.92Å; I163-I446 HydrophobicContact CD1-CG1 4.2Å
164	L	93.7	Very high	86.6	Confident	3 Å²	3	51.3 Å²	51.3	2%	0.016	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	119.9	165.2	177.3	59.1	0	0	0	108.7	L151 K152 L154 Y227 T432	L151-L164 HydrophobicContact CB-CD2 4.39Å; L151-L164 HydrophobicContact CB-CG 4.22Å; L151-L164 WeakPolarHBondContact CB-O 3.44Å; L151-L164 HydrophobicContact CD1-CD2 4.5Å; L151-L164 HydrophobicContact CD1-CG 4.26Å; L151-L164 PolarHBondContact N-O 3.14Å; K152-L164 HydrophobicContact CB-CB 4.22Å; K152-L164 HydrophobicContact CB-CD2 4.4Å; K152-L164 PolarHBondContact N-O 2.82Å; K152-L164 PolarHBondContact O-N 2.82Å; L154-L164 HydrophobicContact CD1-CB 3.94Å; L154-L164 HydrophobicContact CD2-CB 3.92Å; L154-L164 HydrophobicContact CG-CB 3.9Å; L164-Y227 HydrophobicContact CD1-CD1 3.68Å; L164-Y227 HydrophobicContact CD1-CD2 3.79Å; L164-Y227 HydrophobicContact CD1-CE1 3.76Å; L164-Y227 HydrophobicContact CD1-CE2 3.88Å; L164-Y227 HydrophobicContact CD1-CG 3.7Å; L164-Y227 HydrophobicContact CD2-CE1 4.35Å; L164-T432 HydrophobicContact CD2-CG2 4.06Å
165	V	95	Very high	86.9	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	153.7	179.9	-61.3	0	0	0	0	111.1	F148 D149 Y150 I163 Y173 Y174 M176	F148-V165 HydrophobicContact CB-CB 4.16Å; F148-V165 HydrophobicContact CD1-CB 4.33Å; F148-V165 HydrophobicContact CD1-CG2 3.87Å; F148-V165 HydrophobicContact CG-CG2 4.45Å; D149-V165 CarbonylContact O-C 3.56Å; D149-V165 WeakPolarHBondContact O-CA 3.24Å; D149-V165 WeakPolarHBondContact O-CB 3.33Å; Y150-V165 HydrophobicContact CD1-CG1 3.54Å; Y150-V165 HydrophobicContact CE1-CG1 3.92Å; Y150-V165 HydrophobicContact CG-CG1 4.39Å; I163-V165 HydrophobicContact CB-CG1 4.38Å; I163-V165 HydrophobicContact CG2-CG1 4.21Å; I163-V165 PolarHBondContact O-N 3.24Å; V165-Y173 CarbonylContact O-C 3.6Å; V165-Y173 VanDerWaalsContact O-CA 3.31Å; V165-Y173 WeakPolarHBondContact O-CA 3.41Å; V165-Y174 WeakPolarHBondContact CG2-O 3.34Å; V165-Y174 PolarHBondContact N-O 3.3Å; V165-Y174 PolarHBondContact O-N 2.91Å; V165-M176 HydrophobicContact CG1-CB 3.77Å; V165-M176 HydrophobicContact CG1-CE 4.21Å; V165-M176 HydrophobicContact CG1-SD 4.4Å; V165-M176 HydrophobicContact CG2-CB 3.92Å; V165-M176 HydrophobicContact CG2-CE 4.23Å
166	R	95.4	Very high	87.5	Confident	104 Å²	104	50.4 Å²	50.4	39%	0.392	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126.1	168.6	-176.9	-178	-175.3	-152.3	-3.7	109.3	F148 D149 L151 K168 G171 K172 Y173	F148-R166 CarbonylContact C-O 3.55Å; F148-R166 WeakPolarHBondContact CA-O 3.19Å; D149-R166 HydrophobicContact CB-CB 4.35Å; D149-R166 PolarHBondContact N-O 2.76Å; D149-R166 PolarHBondContact O-N 2.99Å; L151-R166 HydrophobicContact CD1-CB 3.94Å; R166-K168 PolarHBondContact O-N 2.86Å; R166-G171 WeakPolarHBondContact CG-O 3.4Å; R166-G171 PolarHBondContact NE-O 2.87Å; R166-G171 VanDerWaalsContact NE-O 3.17Å; R166-K172 CarbonylContact C-O 3.48Å; R166-K172 WeakPolarHBondContact CA-O 3.42Å; R166-Y173 HydrophobicContact CB-CD1 3.9Å; R166-Y173 HydrophobicContact CB-CE1 3.84Å; R166-Y173 HydrophobicContact CG-CD1 4.2Å; R166-Y173 HydrophobicContact CG-CE1 3.9Å
167	E	95.3	Very high	88.1	Confident	10 Å²	10	45 Å²	45	5%	0.047	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	121.7	172.8	178.7	-178.9	-158.4	0	0	109.4	K143 F148 A169 S170 G171 K172 Y174 Y213	K143-E167 WeakPolarHBondContact CE-OE1 3.29Å; K143-E167 IonicContact NZ-OE1 2.8Å; K143-E167 PolarHBondContact NZ-OE1 3.33Å; F148-E167 HydrophobicContact CD1-CB 4.11Å; F148-E167 HydrophobicContact CE1-CB 3.94Å; F148-E167 HydrophobicContact CE1-CG 4.25Å; E167-A169 VanDerWaalsContact C-N 3.28Å; E167-A169 HydrophobicContact CG-CB 4.45Å; E167-A169 PolarHBondContact O-N 3.26Å; E167-S170 VanDerWaalsContact CD-OG 3.32Å; E167-S170 PolarHBondContact O-N 2.97Å; E167-S170 WeakPolarHBondContact OE2-CB 3.21Å; E167-S170 PolarHBondContact OE2-OG 3.11Å; E167-G171 VanDerWaalsContact O-CA 3.24Å; E167-G171 WeakPolarHBondContact O-CA 3.19Å; E167-G171 PolarHBondContact O-N 3.47Å; E167-K172 PolarHBondContact N-O 3.35Å; E167-Y174 HydrophobicContact CB-CD2 4.21Å; E167-Y174 HydrophobicContact CB-CE2 3.82Å; E167-Y213 PolarHBondContact OE1-OH 2.74Å; E167-Y213 PolarHBondContact OE2-OH 2.72Å
168	K	93.9	Very high	89.2	Confident	116 Å²	116	42.8 Å²	42.8	50%	0.504	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-37.4	-175.5	-71.2	175	177.7	171.2	0	113.1	S146 D147 D149 R166	S146-K168 WeakPolarHBondContact O-CE 3.22Å; S146-K168 PolarHBondContact O-NZ 3.45Å; D147-K168 WeakPolarHBondContact O-CB 3.44Å; D147-K168 WeakPolarHBondContact O-CG 3.17Å; D147-K168 PolarHBondContact O-N 2.68Å; D149-K168 WeakPolarHBondContact OD1-CE 3.5Å; D149-K168 IonicContact OD1-NZ 2.95Å; R166-K168 PolarHBondContact O-N 2.86Å
169	A	92.5	Very high	90.1	Very high	90 Å²	90	39 Å²	39	74%	0.744	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-41.1	-175.4	0	0	0	0	0	113.3	E167	E167-A169 VanDerWaalsContact C-N 3.28Å; E167-A169 HydrophobicContact CG-CB 4.45Å; E167-A169 PolarHBondContact O-N 3.26Å
170	S	92.3	Very high	90.5	Very high	58 Å²	58	40.5 Å²	40.5	41%	0.406	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-17.5	-175.4	70.6	0	0	0	0	113.4	E167 K172	E167-S170 VanDerWaalsContact CD-OG 3.32Å; E167-S170 PolarHBondContact O-N 2.97Å; E167-S170 WeakPolarHBondContact OE2-CB 3.21Å; E167-S170 PolarHBondContact OE2-OG 3.11Å; S170-K172 PolarHBondContact O-N 3.5Å; S170-K172 WeakPolarHBondContact OG-CB 3.44Å; S170-K172 PolarHBondContact OG-N 2.81Å
171	G	91.8	Very high	90.5	Very high	19 Å²	19	40 Å²	40	20%	0.196	21%	0.205	C	C	.	.			trans	71.6	0.8	-170.9	0	0	0	0	0	114.7	R166 E167	R166-G171 WeakPolarHBondContact CG-O 3.4Å; R166-G171 PolarHBondContact NE-O 2.87Å; R166-G171 VanDerWaalsContact NE-O 3.17Å; E167-G171 VanDerWaalsContact O-CA 3.24Å; E167-G171 WeakPolarHBondContact O-CA 3.19Å; E167-G171 PolarHBondContact O-N 3.47Å
172	K	92.6	Very high	90.2	Very high	122 Å²	122	43.4 Å²	43.4	53%	0.53	22%	0.222	S	C	.	.			trans	-76.1	148.9	-177.6	-66.3	-172.5	177.9	-173.6	0	112.2	R166 E167 S170 Y174	R166-K172 CarbonylContact C-O 3.48Å; R166-K172 WeakPolarHBondContact CA-O 3.42Å; E167-K172 PolarHBondContact N-O 3.35Å; S170-K172 PolarHBondContact O-N 3.5Å; S170-K172 WeakPolarHBondContact OG-CB 3.44Å; S170-K172 PolarHBondContact OG-N 2.81Å; K172-Y174 HydrophobicContact CB-CE2 3.78Å
173	Y	93.3	Very high	89.4	Confident	57 Å²	57	43 Å²	43	22%	0.224	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	142.2	179.8	-58.5	-79.8	0	0	0	112.3	L151 V165 R166 E429 T430	L151-Y173 HydrophobicContact CD1-CD1 3.65Å; L151-Y173 HydrophobicContact CD1-CE1 3.47Å; L151-Y173 VanDerWaalsContact CD1-CE1 3.47Å; V165-Y173 CarbonylContact O-C 3.6Å; V165-Y173 VanDerWaalsContact O-CA 3.31Å; V165-Y173 WeakPolarHBondContact O-CA 3.41Å; R166-Y173 HydrophobicContact CB-CD1 3.9Å; R166-Y173 HydrophobicContact CB-CE1 3.84Å; R166-Y173 HydrophobicContact CG-CD1 4.2Å; R166-Y173 HydrophobicContact CG-CE1 3.9Å; Y173-E429 HydrophobicContact CD2-CB 3.69Å; Y173-E429 WeakPolarHBondContact CD2-OE2 3.34Å; Y173-E429 HydrophobicContact CE2-CB 3.93Å; Y173-T430 HydrophobicContact CD1-CG2 3.69Å; Y173-T430 HydrophobicContact CD2-CG2 4.31Å; Y173-T430 HydrophobicContact CE1-CG2 3.16Å; Y173-T430 HydrophobicContact CE2-CG2 3.86Å; Y173-T430 HydrophobicContact CG-CG2 4.24Å
174	Y	93.9	Very high	88.4	Confident	20 Å²	20	43 Å²	43	8%	0.078	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	159.3	-178.9	-60.6	-79.7	0	0	0	110.9	V165 E167 K172 K212 V224 M225	V165-Y174 WeakPolarHBondContact CG2-O 3.34Å; V165-Y174 PolarHBondContact N-O 3.3Å; V165-Y174 PolarHBondContact O-N 2.91Å; E167-Y174 HydrophobicContact CB-CD2 4.21Å; E167-Y174 HydrophobicContact CB-CE2 3.82Å; K172-Y174 HydrophobicContact CB-CE2 3.78Å; Y174-K212 HydrophobicContact CD1-CB 4.24Å; Y174-K212 HydrophobicContact CE1-CB 3.9Å; Y174-K212 HydrophobicContact CE1-CD 4.31Å; Y174-K212 HydrophobicContact CE1-CG 3.76Å; Y174-V224 VanDerWaalsContact CB-CG1 3.46Å; Y174-V224 HydrophobicContact CD1-CG1 4.15Å; Y174-V224 HydrophobicContact CD2-CG1 4.12Å; Y174-V224 HydrophobicContact CG-CG1 3.66Å; Y174-M225 WeakPolarHBondContact CA-O 3.35Å; Y174-M225 WeakPolarHBondContact CB-O 3.36Å
175	A	92.4	Very high	87.3	Confident	9 Å²	9	45.5 Å²	45.5	7%	0.074	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	119.6	165.7	0	0	0	0	0	109.2	L154 V162 M225 Y227	L154-A175 HydrophobicContact CD1-CB 4.24Å; V162-A175 HydrophobicContact CG1-CB 4.09Å; A175-M225 PolarHBondContact N-O 2.7Å; A175-M225 PolarHBondContact O-N 3.48Å; A175-Y227 HydrophobicContact CB-CD2 4.43Å
176	M	93.2	Very high	85.9	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	107.2	175.7	-171.6	-176.1	-72.8	0	0	110.4	M145 F148 Y150 V162 I163 V165 I178 F215 F223 V224	M145-M176 HydrophobicContact CE-SD 4.34Å; M145-M176 HydrophobicContact SD-SD 3.82Å; F148-M176 HydrophobicContact CB-CE 4Å; F148-M176 HydrophobicContact CD1-CE 4.09Å; F148-M176 HydrophobicContact CD2-CE 3.45Å; F148-M176 VanDerWaalsContact CD2-CE 3.45Å; F148-M176 HydrophobicContact CE1-CE 4.48Å; F148-M176 HydrophobicContact CE2-CE 3.9Å; F148-M176 HydrophobicContact CG-CE 3.56Å; F148-M176 HydrophobicContact CZ-CE 4.39Å; Y150-M176 HydrophobicContact CE1-CE 4.42Å; Y150-M176 HydrophobicContact CE1-SD 3.86Å; V162-M176 WeakPolarHBondContact CA-O 3.48Å; I163-M176 PolarHBondContact N-O 2.92Å; I163-M176 PolarHBondContact O-N 2.61Å; V165-M176 HydrophobicContact CG1-CB 3.77Å; V165-M176 HydrophobicContact CG1-CE 4.21Å; V165-M176 HydrophobicContact CG1-SD 4.4Å; V165-M176 HydrophobicContact CG2-CB 3.92Å; V165-M176 HydrophobicContact CG2-CE 4.23Å; M176-I178 HydrophobicContact CG-CD1 4.35Å; M176-I178 HydrophobicContact CG-CG1 3.8Å; M176-I178 HydrophobicContact SD-CD1 3.99Å; M176-I178 HydrophobicContact SD-CG1 3.9Å; M176-F215 HydrophobicContact CE-CE1 4.29Å; M176-F215 HydrophobicContact CE-CZ 3.98Å; M176-F215 HydrophobicContact SD-CZ 4.38Å; M176-F223 CarbonylContact C-O 3.53Å; M176-F223 VanDerWaalsContact CA-O 3.28Å; M176-F223 WeakPolarHBondContact CA-O 3.24Å; M176-V224 HydrophobicContact CE-CG2 3.79Å; M176-V224 HydrophobicContact CG-CG2 4.23Å
177	K	88.9	Confident	84.4	Confident	33 Å²	33	50.1 Å²	50.1	14%	0.143	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	113.8	170.4	-172.1	-179.6	-167.5	-175.5	0	108.3	V162 L179 E196 C222 F223 M225 D289	V162-K177 HydrophobicContact CG2-CB 4.28Å; V162-K177 HydrophobicContact CG2-CG 4.17Å; K177-L179 HydrophobicContact CD-CD2 4.37Å; K177-L179 HydrophobicContact CG-CD2 3.9Å; K177-L179 HydrophobicContact CG-CG 4.28Å; K177-E196 IonicContact NZ-OE1 3.81Å; K177-E196 PolarHBondContact NZ-OE1 2.67Å; K177-E196 IonicContact NZ-OE2 3.31Å; K177-E196 PolarHBondContact NZ-OE2 2.97Å; K177-C222 WeakPolarHBondContact O-CA 3.39Å; K177-F223 HydrophobicContact CB-CB 4.29Å; K177-F223 PolarHBondContact N-O 3.13Å; K177-F223 PolarHBondContact O-N 3.47Å; K177-M225 HydrophobicContact CB-CE 3.82Å; K177-M225 HydrophobicContact CD-CE 4.4Å; K177-D289 IonicContact NZ-OD1 3.58Å; K177-D289 PolarHBondContact NZ-OD1 3.47Å
178	I	88.3	Confident	83	Confident	4 Å²	4	54.8 Å²	54.8	2%	0.021	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	111.5	-178.8	-54.3	166.8	0	0	0	108.1	M145 Y150 G160 K161 I163 M176 R220 L221	M145-I178 HydrophobicContact CE-CD1 3.83Å; M145-I178 HydrophobicContact CE-CG1 4.4Å; Y150-I178 HydrophobicContact CE1-CD1 4.42Å; G160-I178 CarbonylContact C-O 3.57Å; G160-I178 WeakPolarHBondContact CA-O 3.36Å; K161-I178 HydrophobicContact CG-CB 4.41Å; K161-I178 PolarHBondContact N-O 2.79Å; K161-I178 PolarHBondContact O-N 2.87Å; I163-I178 HydrophobicContact CD1-CD1 3.68Å; I163-I178 HydrophobicContact CG1-CD1 4.3Å; M176-I178 HydrophobicContact CG-CD1 4.35Å; M176-I178 HydrophobicContact CG-CG1 3.8Å; M176-I178 HydrophobicContact SD-CD1 3.99Å; M176-I178 HydrophobicContact SD-CG1 3.9Å; I178-R220 HydrophobicContact CG2-CB 4.06Å; I178-R220 HydrophobicContact CG2-CG 3.98Å; I178-L221 WeakPolarHBondContact CA-O 3.37Å
179	L	83.7	Confident	81.8	Confident	9 Å²	9	51.8 Å²	51.8	5%	0.047	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	141.9	-179.1	-51.9	179.2	0	0	0	110.9	F159 K177 I184 T193 R220 L221 F223	F159-L179 HydrophobicContact CB-CD2 4.06Å; F159-L179 WeakPolarHBondContact O-CA 3.47Å; K177-L179 HydrophobicContact CD-CD2 4.37Å; K177-L179 HydrophobicContact CG-CD2 3.9Å; K177-L179 HydrophobicContact CG-CG 4.28Å; L179-I184 HydrophobicContact CB-CD1 3.68Å; L179-I184 HydrophobicContact CB-CG1 4.44Å; L179-I184 HydrophobicContact CD1-CD1 4.16Å; L179-T193 HydrophobicContact CD1-CG2 3.95Å; L179-R220 CarbonylContact O-C 3.18Å; L179-R220 WeakPolarHBondContact O-CA 3.41Å; L179-R220 WeakPolarHBondContact O-CB 3.15Å; L179-L221 HydrophobicContact CB-CB 4.43Å; L179-L221 PolarHBondContact N-O 3.3Å; L179-L221 PolarHBondContact O-N 2.91Å; L179-F223 HydrophobicContact CD1-CD2 4.38Å; L179-F223 HydrophobicContact CD1-CE2 3.84Å
180	K	80.3	Confident	80.8	Confident	91 Å²	91	49.6 Å²	49.6	40%	0.396	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	122.5	176	-69.4	-176.2	169.8	-161.5	0	110.7	F159 E182 V183 I184	F159-K180 PolarHBondContact O-N 3.2Å; K180-E182 VanDerWaalsContact C-N 3.31Å; K180-E182 HydrophobicContact CB-CG 4.13Å; K180-E182 IonicContact NZ-OE1 3.29Å; K180-E182 PolarHBondContact O-N 3.04Å; K180-V183 HydrophobicContact CB-CB 4.12Å; K180-V183 HydrophobicContact CB-CG2 3.75Å; K180-V183 HydrophobicContact CD-CG2 3.85Å; K180-V183 HydrophobicContact CG-CG2 4.46Å; K180-V183 PolarHBondContact O-N 3.29Å; K180-V183 VanDerWaalsContact O-N 3.13Å; K180-I184 WeakPolarHBondContact O-CG1 3.44Å; K180-I184 PolarHBondContact O-N 3.43Å; K180-I184 VanDerWaalsContact O-N 3.09Å
181	K	79.6	Confident	79.6	Confident	8 Å²	8	49.8 Å²	49.8	4%	0.035	27%	0.266	C	S	.	.	H	α-helix	trans	-57	-44.4	179.5	-70	-177.3	173	-170.2	0	112.2	V183 I184 I185 T217 D219 L221 P466 F468	K181-V183 VanDerWaalsContact C-N 3.29Å; K181-V183 PolarHBondContact O-N 3.45Å; K181-I184 PolarHBondContact O-N 3.24Å; K181-I185 WeakPolarHBondContact O-CD1 3.4Å; K181-I185 VanDerWaalsContact O-CG1 3.32Å; K181-I185 WeakPolarHBondContact O-CG1 3.41Å; K181-I185 PolarHBondContact O-N 3.35Å; K181-T217 WeakPolarHBondContact CE-O 3.45Å; K181-T217 PolarHBondContact NZ-O 2.96Å; K181-T217 VanDerWaalsContact NZ-O 3.16Å; K181-D219 PolarHBondContact N-O 3.05Å; K181-L221 HydrophobicContact CG-CD2 4.38Å; K181-L221 HydrophobicContact CG-CG 4.11Å; K181-P466 PolarHBondContact NZ-O 2.83Å; K181-F468 HydrophobicContact CB-CE2 4.31Å; K181-F468 HydrophobicContact CD-CD2 4.13Å; K181-F468 HydrophobicContact CD-CE2 3.83Å; K181-F468 HydrophobicContact CG-CD2 4.38Å; K181-F468 HydrophobicContact CG-CE2 3.77Å
182	E	76.9	Confident	78.4	Confident	116 Å²	116	50.9 Å²	50.9	54%	0.542	27%	0.266	S	S	.	.	H	α-helix	trans	-56.7	-40.5	177.9	58.5	178.8	-174	0	0	112.7	K180 A186	K180-E182 VanDerWaalsContact C-N 3.31Å; K180-E182 HydrophobicContact CB-CG 4.13Å; K180-E182 IonicContact NZ-OE1 3.29Å; K180-E182 PolarHBondContact O-N 3.04Å; E182-A186 WeakPolarHBondContact O-CB 3.4Å; E182-A186 PolarHBondContact O-N 2.77Å
183	V	72.4	Confident	77.3	Confident	34 Å²	34	45.5 Å²	45.5	21%	0.206	24%	0.244	C	C	.	.	H	α-helix	trans	-76.4	-37.6	-177.8	-176	0	0	0	0	110.7	F159 K180 K181 I185 A186 K187	F159-V183 HydrophobicContact CD1-CG1 4.09Å; K180-V183 HydrophobicContact CB-CB 4.12Å; K180-V183 HydrophobicContact CB-CG2 3.75Å; K180-V183 HydrophobicContact CD-CG2 3.85Å; K180-V183 HydrophobicContact CG-CG2 4.46Å; K180-V183 PolarHBondContact O-N 3.29Å; K180-V183 VanDerWaalsContact O-N 3.13Å; K181-V183 VanDerWaalsContact C-N 3.29Å; K181-V183 PolarHBondContact O-N 3.45Å; V183-I185 VanDerWaalsContact C-N 3.34Å; V183-A186 PolarHBondContact O-N 3.15Å; V183-K187 HydrophobicContact CG1-CD 4.26Å; V183-K187 WeakPolarHBondContact O-CB 3.36Å; V183-K187 WeakPolarHBondContact O-CG 3.45Å; V183-K187 PolarHBondContact O-N 3.13Å; V183-K187 VanDerWaalsContact O-N 3.11Å
184	I	71.3	Confident	76.2	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.8	-47.7	175.4	-66.8	162.2	0	0	0	110.1	L179 K180 K181 K187 D188 E189 V190 T193 L221	L179-I184 HydrophobicContact CB-CD1 3.68Å; L179-I184 HydrophobicContact CB-CG1 4.44Å; L179-I184 HydrophobicContact CD1-CD1 4.16Å; K180-I184 WeakPolarHBondContact O-CG1 3.44Å; K180-I184 PolarHBondContact O-N 3.43Å; K180-I184 VanDerWaalsContact O-N 3.09Å; K181-I184 PolarHBondContact O-N 3.24Å; I184-K187 PolarHBondContact O-N 3.37Å; I184-D188 PolarHBondContact O-N 2.94Å; I184-E189 HydrophobicContact CG2-CB 4.18Å; I184-E189 PolarHBondContact O-N 2.9Å; I184-V190 HydrophobicContact CG2-CB 4.43Å; I184-V190 HydrophobicContact CG2-CG2 3.85Å; I184-T193 HydrophobicContact CD1-CG2 4.15Å; I184-L221 HydrophobicContact CD1-CD1 3.85Å; I184-L221 HydrophobicContact CD1-CG 4.48Å
185	I	70.9	Confident	75.1	Confident	55 Å²	55	45 Å²	45	28%	0.282	25%	0.247	S	C	.	.	H	α-helix	trans	-67.3	-46.5	-179.4	-64	161.2	0	0	0	110.5	K181 V183 K187 D188 V190 P466	K181-I185 WeakPolarHBondContact O-CD1 3.4Å; K181-I185 VanDerWaalsContact O-CG1 3.32Å; K181-I185 WeakPolarHBondContact O-CG1 3.41Å; K181-I185 PolarHBondContact O-N 3.35Å; V183-I185 VanDerWaalsContact C-N 3.34Å; I185-K187 PolarHBondContact O-N 3.42Å; I185-K187 VanDerWaalsContact O-N 3.13Å; I185-D188 PolarHBondContact O-N 3.09Å; I185-D188 VanDerWaalsContact O-N 3.11Å; I185-V190 HydrophobicContact CG1-CG2 4.07Å; I185-P466 HydrophobicContact CD1-CG 3.52Å; I185-P466 HydrophobicContact CG1-CG 4.43Å
186	A	64.4	Low	74.3	Confident	87 Å²	87	44.9 Å²	44.9	72%	0.719	25%	0.245	S	C	*	.	H	α-helix	trans	-62.2	-21.9	-179.6	0	0	0	0	0	113.7	E182 V183	E182-A186 WeakPolarHBondContact O-CB 3.4Å; E182-A186 PolarHBondContact O-N 2.77Å; V183-A186 PolarHBondContact O-N 3.15Å
187	K	63.6	Low	73.4	Confident	114 Å²	114	45 Å²	45	50%	0.496	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	5.3	178.7	-68.7	-164.5	166.2	-145.7	0	114.2	T158 F159 V183 I184 I185 E189	T158-K187 HydrophobicContact CG2-CD 3.87Å; F159-K187 HydrophobicContact CD1-CD 4.12Å; F159-K187 HydrophobicContact CE1-CB 3.8Å; F159-K187 HydrophobicContact CE1-CD 3.42Å; F159-K187 VanDerWaalsContact CE1-CD 3.42Å; F159-K187 HydrophobicContact CE1-CG 4.16Å; F159-K187 HydrophobicContact CZ-CD 4.19Å; V183-K187 HydrophobicContact CG1-CD 4.26Å; V183-K187 WeakPolarHBondContact O-CB 3.36Å; V183-K187 WeakPolarHBondContact O-CG 3.45Å; V183-K187 PolarHBondContact O-N 3.13Å; V183-K187 VanDerWaalsContact O-N 3.11Å; I184-K187 PolarHBondContact O-N 3.37Å; I185-K187 PolarHBondContact O-N 3.42Å; I185-K187 VanDerWaalsContact O-N 3.13Å; K187-E189 VanDerWaalsContact C-N 3.3Å; K187-E189 HydrophobicContact CB-CG 4.08Å; K187-E189 PolarHBondContact O-N 3.5Å
188	D	67.6	Low	72.8	Confident	109 Å²	109	47.3 Å²	47.3	58%	0.583	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	34.1	-178.4	-158.1	30.2	0	0	0	114.6	I184 I185	I184-D188 PolarHBondContact O-N 2.94Å; I185-D188 PolarHBondContact O-N 3.09Å; I185-D188 VanDerWaalsContact O-N 3.11Å
189	E	68.9	Low	72.3	Confident	53 Å²	53	47.1 Å²	47.1	25%	0.248	25%	0.252	C	S	.	.			trans	-102.2	15.6	-172.9	-74.2	-76.3	153.1	0	0	113.1	F159 I184 K187 A191 H192 T193	F159-E189 HydrophobicContact CE1-CB 4.04Å; F159-E189 HydrophobicContact CE1-CG 3.59Å; F159-E189 HydrophobicContact CZ-CB 4.36Å; F159-E189 HydrophobicContact CZ-CG 3.61Å; I184-E189 HydrophobicContact CG2-CB 4.18Å; I184-E189 PolarHBondContact O-N 2.9Å; K187-E189 VanDerWaalsContact C-N 3.3Å; K187-E189 HydrophobicContact CB-CG 4.08Å; K187-E189 PolarHBondContact O-N 3.5Å; E189-A191 PolarHBondContact O-N 3.39Å; E189-H192 VanDerWaalsContact CD-ND1 3.28Å; E189-H192 PolarHBondContact O-N 3.11Å; E189-H192 IonicContact OE1-CE1 2.81Å; E189-H192 IonicContact OE1-ND1 3.54Å; E189-H192 PolarHBondContact OE1-ND1 2.84Å; E189-H192 WeakPolarHBondContact OE2-CB 3.33Å; E189-H192 IonicContact OE2-CE1 3.58Å; E189-H192 IonicContact OE2-CG 3.43Å; E189-H192 IonicContact OE2-ND1 2.68Å; E189-H192 PolarHBondContact OE2-ND1 3.49Å; E189-T193 PolarHBondContact O-N 3.18Å; E189-T193 VanDerWaalsContact O-N 3.09Å; E189-T193 PolarHBondContact O-OG1 2.93Å
190	V	70.6	Confident	72.2	Confident	43 Å²	43	46.8 Å²	46.8	26%	0.261	25%	0.251	S	S	.	.	H	α-helix	trans	-60.7	-46.4	-179.5	168.1	0	0	0	0	110.6	I184 I185 H192 T193 L194 F468	I184-V190 HydrophobicContact CG2-CB 4.43Å; I184-V190 HydrophobicContact CG2-CG2 3.85Å; I185-V190 HydrophobicContact CG1-CG2 4.07Å; V190-H192 PolarHBondContact O-N 3.48Å; V190-T193 PolarHBondContact O-N 3.42Å; V190-L194 HydrophobicContact CG1-CD1 4.02Å; V190-L194 HydrophobicContact CG1-CG 4.33Å; V190-L194 WeakPolarHBondContact O-CG 3.14Å; V190-L194 PolarHBondContact O-N 2.92Å; V190-F468 HydrophobicContact CG1-CE1 3.9Å; V190-F468 HydrophobicContact CG2-CE1 4.29Å; V190-F468 HydrophobicContact CG2-CZ 4.44Å
191	A	66.6	Low	72.1	Confident	62 Å²	62	43.8 Å²	43.8	51%	0.512	24%	0.238	S	C	.	.	H	α-helix	trans	-63.3	-41.6	-177.8	0	0	0	0	0	112.6	E189 T195	E189-A191 PolarHBondContact O-N 3.39Å; A191-T195 WeakPolarHBondContact O-CB 3.41Å; A191-T195 PolarHBondContact O-N 2.88Å; A191-T195 PolarHBondContact O-OG1 3.34Å
192	H	66.8	Low	72	Confident	42 Å²	42	48.7 Å²	48.7	19%	0.194	26%	0.264	C	S	.	.	H	α-helix	trans	-64.3	-45.3	176.4	-66.1	157.4	0	0	0	111.2	E189 V190 L194 T195 E196 G291	E189-H192 VanDerWaalsContact CD-ND1 3.28Å; E189-H192 PolarHBondContact O-N 3.11Å; E189-H192 IonicContact OE1-CE1 2.81Å; E189-H192 IonicContact OE1-ND1 3.54Å; E189-H192 PolarHBondContact OE1-ND1 2.84Å; E189-H192 WeakPolarHBondContact OE2-CB 3.33Å; E189-H192 IonicContact OE2-CE1 3.58Å; E189-H192 IonicContact OE2-CG 3.43Å; E189-H192 IonicContact OE2-ND1 2.68Å; E189-H192 PolarHBondContact OE2-ND1 3.49Å; V190-H192 PolarHBondContact O-N 3.48Å; H192-L194 PolarHBondContact O-N 3.02Å; H192-T195 PolarHBondContact O-N 3.29Å; H192-T195 VanDerWaalsContact O-N 3.15Å; H192-E196 PolarHBondContact O-N 3.11Å; H192-G291 WeakPolarHBondContact CB-O 3.29Å
193	T	70.4	Confident	72.4	Confident	10 Å²	10	43.5 Å²	43.5	6%	0.061	24%	0.24	C	C	.	.	H	α-helix	trans	-63.5	-40.2	178.5	-54	0	0	0	0	112.9	L179 I184 E189 V190 T195 S197 L221 F223 F471	L179-T193 HydrophobicContact CD1-CG2 3.95Å; I184-T193 HydrophobicContact CD1-CG2 4.15Å; E189-T193 PolarHBondContact O-N 3.18Å; E189-T193 VanDerWaalsContact O-N 3.09Å; E189-T193 PolarHBondContact O-OG1 2.93Å; V190-T193 PolarHBondContact O-N 3.42Å; T193-T195 VanDerWaalsContact C-N 3.34Å; T193-S197 PolarHBondContact O-N 3.09Å; T193-S197 VanDerWaalsContact O-N 3.11Å; T193-L221 HydrophobicContact CG2-CD1 3.59Å; T193-F223 HydrophobicContact CG2-CE2 4.26Å; T193-F223 HydrophobicContact CG2-CZ 4.2Å; T193-F471 HydrophobicContact CG2-CZ 4.12Å
194	L	70.5	Confident	73.1	Confident	48 Å²	48	48.4 Å²	48.4	25%	0.251	26%	0.255	S	S	.	.	H	α-helix	trans	-66.3	-37.8	175	-70	179.9	0	0	0	111.6	V190 H192 S197 R198 F468 F471	V190-L194 HydrophobicContact CG1-CD1 4.02Å; V190-L194 HydrophobicContact CG1-CG 4.33Å; V190-L194 WeakPolarHBondContact O-CG 3.14Å; V190-L194 PolarHBondContact O-N 2.92Å; H192-L194 PolarHBondContact O-N 3.02Å; L194-S197 PolarHBondContact O-N 2.95Å; L194-R198 WeakPolarHBondContact O-CG 3.21Å; L194-R198 PolarHBondContact O-N 3.22Å; L194-F468 HydrophobicContact CD2-CD1 3.83Å; L194-F471 HydrophobicContact CD2-CD2 4.28Å; L194-F471 HydrophobicContact CD2-CE2 3.64Å
195	T	69.2	Low	74.3	Confident	19 Å²	19	49 Å²	49	12%	0.117	26%	0.258	C	S	.	.	H	α-helix	trans	-68.7	-46.6	179.1	-56.3	0	0	0	0	111.4	A191 H192 T193 S197 R198 V199 C293	A191-T195 WeakPolarHBondContact O-CB 3.41Å; A191-T195 PolarHBondContact O-N 2.88Å; A191-T195 PolarHBondContact O-OG1 3.34Å; H192-T195 PolarHBondContact O-N 3.29Å; H192-T195 VanDerWaalsContact O-N 3.15Å; T193-T195 VanDerWaalsContact C-N 3.34Å; T195-S197 PolarHBondContact O-N 2.96Å; T195-R198 PolarHBondContact O-N 3.16Å; T195-R198 PolarHBondContact OG1-NH2 2.67Å; T195-V199 HydrophobicContact CG2-CG2 4.17Å; T195-V199 WeakPolarHBondContact O-CG2 3.05Å; T195-V199 PolarHBondContact O-N 2.74Å; T195-C293 VanDerWaalsContact CG2-O 3.31Å; T195-C293 WeakPolarHBondContact CG2-O 3.42Å
196	E	76.1	Confident	75.5	Confident	6 Å²	6	47.9 Å²	47.9	3%	0.028	25%	0.254	C	S	.	.	H	α-helix	trans	-52.2	-47	171.6	-174.6	173.6	-163.4	0	0	110.3	K177 H192 R198 L200 F290	K177-E196 IonicContact NZ-OE1 3.81Å; K177-E196 PolarHBondContact NZ-OE1 2.67Å; K177-E196 IonicContact NZ-OE2 3.31Å; K177-E196 PolarHBondContact NZ-OE2 2.97Å; H192-E196 PolarHBondContact O-N 3.11Å; E196-R198 VanDerWaalsContact C-N 3.33Å; E196-R198 PolarHBondContact O-N 2.91Å; E196-L200 HydrophobicContact CG-CD1 3.73Å; E196-L200 HydrophobicContact CG-CG 4.38Å; E196-L200 WeakPolarHBondContact O-CB 3.48Å; E196-L200 WeakPolarHBondContact O-CG 3.37Å; E196-L200 PolarHBondContact O-N 3.35Å; E196-F290 HydrophobicContact CG-CB 4.29Å
197	S	75	Confident	77.1	Confident	3 Å²	3	43.7 Å²	43.7	2%	0.021	22%	0.22	C	C	.	.	H	α-helix	trans	-62.4	-33.9	177.9	-176.3	0	0	0	0	114.3	T193 L194 T195 K201	T193-S197 PolarHBondContact O-N 3.09Å; T193-S197 VanDerWaalsContact O-N 3.11Å; L194-S197 PolarHBondContact O-N 2.95Å; T195-S197 PolarHBondContact O-N 2.96Å; S197-K201 VanDerWaalsContact O-CD 3.23Å; S197-K201 WeakPolarHBondContact O-CD 3.31Å; S197-K201 WeakPolarHBondContact O-CE 3.44Å; S197-K201 WeakPolarHBondContact O-CG 3.47Å; S197-K201 VanDerWaalsContact OG-CE 3.24Å; S197-K201 WeakPolarHBondContact OG-CE 3.25Å; S197-K201 PolarHBondContact OG-NZ 3.11Å
198	R	76.7	Confident	78.6	Confident	80 Å²	80	38.4 Å²	38.4	30%	0.302	20%	0.197	S	C	.	.	H	α-helix	trans	-79.6	-47.6	-178.7	-75	-169.7	-52	-84.7	-10.4	110.9	L194 T195 E196 L200 K201 N202 E295	L194-R198 WeakPolarHBondContact O-CG 3.21Å; L194-R198 PolarHBondContact O-N 3.22Å; T195-R198 PolarHBondContact O-N 3.16Å; T195-R198 PolarHBondContact OG1-NH2 2.67Å; E196-R198 VanDerWaalsContact C-N 3.33Å; E196-R198 PolarHBondContact O-N 2.91Å; R198-L200 PolarHBondContact O-N 3.31Å; R198-K201 PolarHBondContact O-N 2.88Å; R198-N202 PolarHBondContact O-N 3.15Å; R198-N202 PolarHBondContact O-ND2 3.31Å; R198-E295 IonicContact CZ-OE2 3.66Å; R198-E295 VanDerWaalsContact CZ-OE2 3.29Å; R198-E295 IonicContact NE-OE2 2.69Å; R198-E295 PolarHBondContact NE-OE2 2.9Å; R198-E295 IonicContact NH2-OE2 3.99Å; R198-E295 PolarHBondContact NH2-OE2 3.47Å
199	V	76.9	Confident	79.7	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-55.4	-54.7	177.9	172.4	0	0	0	0	109.6	T195 K201 N202 T203 I267 F290 C293 E295	T195-V199 HydrophobicContact CG2-CG2 4.17Å; T195-V199 WeakPolarHBondContact O-CG2 3.05Å; T195-V199 PolarHBondContact O-N 2.74Å; V199-K201 PolarHBondContact O-N 3.08Å; V199-K201 VanDerWaalsContact O-N 3.08Å; V199-N202 PolarHBondContact O-N 3.35Å; V199-T203 HydrophobicContact CG1-CG2 3.85Å; V199-T203 WeakPolarHBondContact O-CB 3.44Å; V199-T203 WeakPolarHBondContact O-CG2 3.37Å; V199-T203 PolarHBondContact O-N 3.04Å; V199-T203 PolarHBondContact O-OG1 3.37Å; V199-I267 HydrophobicContact CG1-CD1 4.3Å; V199-I267 HydrophobicContact CG1-CG2 4.47Å; V199-I267 HydrophobicContact CG2-CD1 4.32Å; V199-I267 HydrophobicContact CG2-CG2 4.33Å; V199-F290 HydrophobicContact CG1-CB 4.14Å; V199-F290 HydrophobicContact CG1-CD1 3.8Å; V199-F290 HydrophobicContact CG1-CG 4.16Å; V199-C293 HydrophobicContact CG2-CB 3.93Å; V199-E295 HydrophobicContact CG2-CG 3.77Å
200	L	80.7	Confident	80.6	Confident	3 Å²	3	33.7 Å²	33.7	2%	0.016	18%	0.178	C	C	.	.	H	α-helix	trans	-58.5	-27.7	-178.5	-81.8	177.2	0	0	0	114.8	E196 R198 L211 M225 F290	E196-L200 HydrophobicContact CG-CD1 3.73Å; E196-L200 HydrophobicContact CG-CG 4.38Å; E196-L200 WeakPolarHBondContact O-CB 3.48Å; E196-L200 WeakPolarHBondContact O-CG 3.37Å; E196-L200 PolarHBondContact O-N 3.35Å; R198-L200 PolarHBondContact O-N 3.31Å; L200-L211 HydrophobicContact CB-CB 3.8Å; L200-L211 HydrophobicContact CB-CD2 3.93Å; L200-L211 HydrophobicContact CB-CG 4.38Å; L200-L211 HydrophobicContact CD1-CD1 4.43Å; L200-L211 HydrophobicContact CD2-CB 4.41Å; L200-L211 HydrophobicContact CG-CB 4.49Å; L200-M225 HydrophobicContact CD1-SD 4.13Å; L200-F290 HydrophobicContact CD2-CD2 3.38Å; L200-F290 HydrophobicContact CD2-CE2 3.59Å; L200-F290 HydrophobicContact CD2-CG 4.24Å; L200-F290 HydrophobicContact CG-CD2 3.93Å; L200-F290 HydrophobicContact CG-CG 4.45Å
201	K	79.3	Confident	81.4	Confident	28 Å²	28	32 Å²	32	12%	0.122	17%	0.168	C	C	.	.	H	α-helix	trans	-79.4	-30.1	177.7	-73.4	174.6	-168	175.5	0	113	S197 R198 V199 L211 S214 Q470 Y473	S197-K201 VanDerWaalsContact O-CD 3.23Å; S197-K201 WeakPolarHBondContact O-CD 3.31Å; S197-K201 WeakPolarHBondContact O-CE 3.44Å; S197-K201 WeakPolarHBondContact O-CG 3.47Å; S197-K201 VanDerWaalsContact OG-CE 3.24Å; S197-K201 WeakPolarHBondContact OG-CE 3.25Å; S197-K201 PolarHBondContact OG-NZ 3.11Å; R198-K201 PolarHBondContact O-N 2.88Å; V199-K201 PolarHBondContact O-N 3.08Å; V199-K201 VanDerWaalsContact O-N 3.08Å; K201-L211 HydrophobicContact CG-CD2 3.71Å; K201-S214 WeakPolarHBondContact CE-OG 3.32Å; K201-Q470 PolarHBondContact NZ-O 2.58Å; K201-Y473 HydrophobicContact CB-CD2 4.26Å; K201-Y473 HydrophobicContact CB-CE2 3.99Å; K201-Y473 HydrophobicContact CD-CD2 3.74Å; K201-Y473 HydrophobicContact CD-CE2 4.31Å; K201-Y473 HydrophobicContact CD-CG 3.9Å; K201-Y473 HydrophobicContact CG-CD1 4.01Å; K201-Y473 HydrophobicContact CG-CD2 3.67Å; K201-Y473 HydrophobicContact CG-CE1 4.2Å; K201-Y473 HydrophobicContact CG-CE2 3.85Å; K201-Y473 HydrophobicContact CG-CG 3.73Å; K201-Y473 PolarHBondContact O-OH 3.22Å
202	N	78	Confident	82.5	Confident	111 Å²	111	31.9 Å²	31.9	59%	0.594	16%	0.155	S	C	*	.	H	α-helix	trans	-101.8	-14.5	-170.1	-64.7	-25.4	0	0	0	112.6	R198 V199	R198-N202 PolarHBondContact O-N 3.15Å; R198-N202 PolarHBondContact O-ND2 3.31Å; V199-N202 PolarHBondContact O-N 3.35Å
203	T	83.8	Confident	83.5	Confident	6 Å²	6	30.6 Å²	30.6	4%	0.037	15%	0.149	C	C	.	.			trans	-97.9	132.4	179.1	57.6	0	0	0	0	112.2	V199 Y261 L262 I267	V199-T203 HydrophobicContact CG1-CG2 3.85Å; V199-T203 WeakPolarHBondContact O-CB 3.44Å; V199-T203 WeakPolarHBondContact O-CG2 3.37Å; V199-T203 PolarHBondContact O-N 3.04Å; V199-T203 PolarHBondContact O-OG1 3.37Å; T203-Y261 WeakPolarHBondContact CA-OH 3.3Å; T203-Y261 HydrophobicContact CG2-CE1 4.08Å; T203-L262 HydrophobicContact CG2-CD2 3.74Å; T203-I267 HydrophobicContact CG2-CD1 3.88Å
204	R	88.9	Confident	84.2	Confident	137 Å²	137	30.2 Å²	30.2	52%	0.517	15%	0.147	S	C	.	.			trans	-138.6	111.3	170.4	-65.6	-174	-179.7	-156.5	0.6	109	Y261	R204-Y261 PolarHBondContact N-OH 3.32Å; R204-Y261 PolarHBondContact O-OH 2.84Å
205	H	95.3	Very high	85	Confident	14 Å²	14	28.2 Å²	28.2	7%	0.065	14%	0.136	C	C	.	.			trans	-151.1	142.4	179.7	-170.4	-88	0	0	0	109.8	F207 L208 S257 Y261 Y414	H205-F207 AromaticContact CE1-CD2 3.59Å; H205-F207 PolarHBondContact ND1-N 2.98Å; H205-F207 PolarHBondContact O-N 2.59Å; H205-F207 VanDerWaalsContact O-N 3.1Å; H205-L208 HydrophobicContact CB-CB 4.07Å; H205-L208 HydrophobicContact CB-CD1 3.72Å; H205-L208 HydrophobicContact CB-CG 3.74Å; H205-L208 PolarHBondContact O-N 3.4Å; H205-S257 PolarHBondContact CE1-OG 3.23Å; H205-S257 PolarHBondContact NE2-O 3.18Å; H205-S257 PolarHBondContact NE2-OG 3.04Å; H205-Y261 HydrophobicContact CB-CD1 3.82Å; H205-Y261 HydrophobicContact CB-CE1 4.11Å; H205-Y261 HydrophobicContact CB-CG 4.1Å; H205-Y261 WeakPolarHBondContact CD2-CB 3.01Å; H205-Y261 AromaticContact CD2-CD2 3.93Å; H205-Y261 AromaticContact CD2-CG 3.54Å; H205-Y414 AromaticContact CD2-CD2 3.95Å; H205-Y414 AromaticContact CD2-CE2 3.58Å; H205-Y414 AromaticContact NE2-CD2 3.43Å; H205-Y414 WeakPolarHBondContact NE2-CD2 3.26Å; H205-Y414 AromaticContact NE2-CE2 3.58Å
206	P	96.8	Very high	85.7	Confident	30 Å²	30	28.9 Å²	28.9	20%	0.195	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-33.3	-175.3	-2.8	-5.7	0	0	0	114.4	K286 Y414 K416	P206-K286 WeakPolarHBondContact O-CE 3.42Å; P206-K286 PolarHBondContact O-NZ 3Å; P206-Y414 HydrophobicContact CG-CD2 4.09Å; P206-Y414 HydrophobicContact CG-CE2 4.09Å; P206-Y414 HydrophobicContact CG-CG 4.42Å; P206-Y414 WeakPolarHBondContact CG-O 3.4Å; P206-K416 HydrophobicContact CB-CD 3.98Å; P206-K416 HydrophobicContact CB-CG 3.98Å
207	F	97.8	Very high	86.1	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	9.4	-178.4	-48.3	-52.1	0	0	0	114.6	H205 E254 A258 H284 I285 K286 I287 V413 K416	H205-F207 AromaticContact CE1-CD2 3.59Å; H205-F207 PolarHBondContact ND1-N 2.98Å; H205-F207 PolarHBondContact O-N 2.59Å; H205-F207 VanDerWaalsContact O-N 3.1Å; F207-E254 HydrophobicContact CD1-CB 4.13Å; F207-E254 HydrophobicContact CD1-CG 4.26Å; F207-E254 HydrophobicContact CD2-CB 3.7Å; F207-E254 HydrophobicContact CD2-CG 4.2Å; F207-E254 WeakPolarHBondContact CD2-O 2.88Å; F207-E254 HydrophobicContact CE1-CB 4.16Å; F207-E254 VanDerWaalsContact CE1-CD 3.42Å; F207-E254 HydrophobicContact CE1-CG 3.8Å; F207-E254 WeakPolarHBondContact CE1-OE1 3.43Å; F207-E254 HydrophobicContact CE2-CB 3.78Å; F207-E254 HydrophobicContact CE2-CG 3.77Å; F207-E254 HydrophobicContact CG-CB 3.91Å; F207-E254 HydrophobicContact CG-CG 4.45Å; F207-E254 HydrophobicContact CZ-CB 3.99Å; F207-E254 HydrophobicContact CZ-CG 3.53Å; F207-E254 WeakPolarHBondContact CZ-OE1 3.35Å; F207-A258 HydrophobicContact CB-CB 4.14Å; F207-H284 HydrophobicContact CD1-CB 4.34Å; F207-H284 HydrophobicContact CE1-CB 4.05Å; F207-I285 VanDerWaalsContact CA-O 3.3Å; F207-I285 WeakPolarHBondContact CA-O 3.45Å; F207-I285 WeakPolarHBondContact CB-O 3.44Å; F207-I285 WeakPolarHBondContact CD1-O 3.46Å; F207-K286 CarbonylContact O-C 3.17Å; F207-K286 WeakPolarHBondContact O-CA 3.37Å; F207-I287 PolarHBondContact O-N 2.78Å; F207-V413 HydrophobicContact CE2-CG1 3.78Å; F207-V413 WeakPolarHBondContact CE2-O 3.32Å; F207-V413 HydrophobicContact CZ-CG1 4.3Å; F207-V413 WeakPolarHBondContact CZ-O 3.46Å; F207-K416 HydrophobicContact CE1-CD 4.31Å; F207-K416 HydrophobicContact CE1-CG 3.83Å; F207-K416 HydrophobicContact CZ-CG 4.03Å
208	L	94.4	Very high	86.5	Confident	3 Å²	3	35.2 Å²	35.2	2%	0.016	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-104.8	143.5	170.1	-62.6	-178.2	0	0	0	109.2	H205 S210 A258 Y261 L262 I287 F290	H205-L208 HydrophobicContact CB-CB 4.07Å; H205-L208 HydrophobicContact CB-CD1 3.72Å; H205-L208 HydrophobicContact CB-CG 3.74Å; H205-L208 PolarHBondContact O-N 3.4Å; L208-S210 PolarHBondContact O-N 2.89Å; L208-A258 HydrophobicContact CD2-CB 3.86Å; L208-A258 HydrophobicContact CG-CB 4.32Å; L208-Y261 HydrophobicContact CD1-CD1 3.81Å; L208-Y261 HydrophobicContact CD1-CE1 4.07Å; L208-L262 HydrophobicContact CD1-CD1 4.42Å; L208-L262 HydrophobicContact CD1-CD2 3.69Å; L208-L262 HydrophobicContact CD1-CG 3.98Å; L208-L262 HydrophobicContact CD2-CD1 4.27Å; L208-I287 HydrophobicContact CD2-CB 3.79Å; L208-I287 HydrophobicContact CD2-CD1 3.97Å; L208-I287 HydrophobicContact CD2-CG1 4.15Å; L208-I287 HydrophobicContact CD2-CG2 4.42Å; L208-F290 HydrophobicContact CB-CZ 4.03Å; L208-F290 HydrophobicContact CD1-CE1 4.44Å; L208-F290 HydrophobicContact CD2-CE1 3.96Å; L208-F290 HydrophobicContact CD2-CZ 3.93Å; L208-F290 HydrophobicContact CG-CZ 4.39Å
209	T	91.1	Very high	86.7	Confident	9 Å²	9	34 Å²	34	6%	0.055	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-67.2	128.4	174.1	-56.1	0	0	0	0	109.9	M225 E226 I287 T288	T209-M225 HydrophobicContact CG2-CB 4.11Å; T209-E226 HydrophobicContact CG2-CB 4.24Å; T209-I287 WeakPolarHBondContact CB-O 3.38Å; T209-I287 PolarHBondContact N-O 2.9Å; T209-I287 PolarHBondContact OG1-O 3.19Å; T209-T288 VanDerWaalsContact OG1-CG2 3.31Å; T209-T288 WeakPolarHBondContact OG1-CG2 2.98Å
210	S	87.8	Confident	87.1	Confident	54 Å²	54	34.7 Å²	34.7	38%	0.378	17%	0.17	S	C	.	.	P	Polyproline II helix	trans	-91	140.2	-177.8	60.4	0	0	0	0	112.7	L208 M225 E226	L208-S210 PolarHBondContact O-N 2.89Å; S210-M225 CarbonylContact O-C 3.59Å; S210-M225 VanDerWaalsContact O-CA 3.32Å; S210-M225 WeakPolarHBondContact O-CA 3.17Å; S210-E226 PolarHBondContact N-OE2 3.42Å; S210-E226 PolarHBondContact O-N 3.44Å; S210-E226 PolarHBondContact OG-OE2 2.98Å; S210-E226 VanDerWaalsContact OG-OE2 3.1Å
211	L	88	Confident	87.3	Confident	8 Å²	8	34.6 Å²	34.6	4%	0.042	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	123.1	170.9	178.8	75.5	0	0	0	110.2	L200 K201 Y213 F223 M225 Y473	L200-L211 HydrophobicContact CB-CB 3.8Å; L200-L211 HydrophobicContact CB-CD2 3.93Å; L200-L211 HydrophobicContact CB-CG 4.38Å; L200-L211 HydrophobicContact CD1-CD1 4.43Å; L200-L211 HydrophobicContact CD2-CB 4.41Å; L200-L211 HydrophobicContact CG-CB 4.49Å; K201-L211 HydrophobicContact CG-CD2 3.71Å; L211-Y213 VanDerWaalsContact CD1-O 3.28Å; L211-Y213 WeakPolarHBondContact CD1-O 3.23Å; L211-F223 HydrophobicContact CD1-CB 3.9Å; L211-F223 HydrophobicContact CD1-CD1 3.94Å; L211-F223 HydrophobicContact CD1-CG 4.45Å; L211-M225 HydrophobicContact CD1-CG 3.98Å; L211-Y473 HydrophobicContact CD2-CD1 3.9Å; L211-Y473 HydrophobicContact CD2-CE1 4.21Å; L211-Y473 HydrophobicContact CG-CD1 4.31Å; L211-Y473 HydrophobicContact CG-CE1 4.42Å
212	K	89.1	Confident	87.6	Confident	58 Å²	58	33.2 Å²	33.2	25%	0.252	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-49.5	177.1	-172.1	68.9	-179.9	172.7	0	111.9	Y174 V224 A475	Y174-K212 HydrophobicContact CD1-CB 4.24Å; Y174-K212 HydrophobicContact CE1-CB 3.9Å; Y174-K212 HydrophobicContact CE1-CD 4.31Å; Y174-K212 HydrophobicContact CE1-CG 3.76Å; K212-V224 WeakPolarHBondContact CA-O 3.31Å; K212-V224 WeakPolarHBondContact CB-O 3.25Å; K212-V224 PolarHBondContact N-O 2.91Å; K212-A475 HydrophobicContact CD-CB 4.42Å; K212-A475 PolarHBondContact O-N 3.46Å
213	Y	87.8	Confident	88.1	Confident	16 Å²	16	28 Å²	28	6%	0.063	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	144.8	-179.8	-47.4	-70.6	0	0	0	110.3	K143 F148 E167 L211 V224 Y473	K143-Y213 HydrophobicContact CG-CD1 3.74Å; K143-Y213 HydrophobicContact CG-CE1 4.07Å; K143-Y213 HydrophobicContact CG-CG 4Å; F148-Y213 HydrophobicContact CE1-CD2 4.36Å; F148-Y213 HydrophobicContact CE1-CE2 4.44Å; F148-Y213 AromaticContact CZ-CD2 3.87Å; F148-Y213 HydrophobicContact CZ-CD2 3.87Å; F148-Y213 HydrophobicContact CZ-CE2 4.2Å; E167-Y213 PolarHBondContact OE1-OH 2.74Å; E167-Y213 PolarHBondContact OE2-OH 2.72Å; L211-Y213 VanDerWaalsContact CD1-O 3.28Å; L211-Y213 WeakPolarHBondContact CD1-O 3.23Å; Y213-V224 HydrophobicContact CD2-CB 3.88Å; Y213-V224 HydrophobicContact CD2-CG1 3.86Å; Y213-V224 HydrophobicContact CD2-CG2 4.29Å; Y213-V224 HydrophobicContact CG-CB 4.42Å; Y213-V224 PolarHBondContact N-O 3.47Å; Y213-V224 VanDerWaalsContact N-O 3.14Å; Y213-V224 PolarHBondContact O-N 3.25Å; Y213-Y473 WeakPolarHBondContact CA-O 3.45Å
214	S	85.9	Confident	88.5	Confident	2 Å²	2	27.7 Å²	27.7	1%	0.014	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	135.8	158.4	74.3	0	0	0	0	110.5	K201 C222 S472 Y473	K201-S214 WeakPolarHBondContact CE-OG 3.32Å; S214-C222 WeakPolarHBondContact CA-O 3.43Å; S214-S472 WeakPolarHBondContact O-CA 3.47Å; S214-Y473 PolarHBondContact N-O 3.41Å; S214-Y473 PolarHBondContact O-N 2.96Å; S214-Y473 WeakPolarHBondContact OG-CB 3.49Å
215	F	86.6	Confident	88.6	Confident	6 Å²	6	22.3 Å²	22.3	3%	0.026	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	166.7	178.6	62.5	-91.7	0	0	0	109.6	K143 M145 F148 M176 C222 V224 F471	K143-F215 HydrophobicContact CB-CD1 4.13Å; K143-F215 WeakPolarHBondContact O-CG 3.13Å; M145-F215 HydrophobicContact CG-CE2 3.82Å; M145-F215 HydrophobicContact CG-CZ 4.34Å; M145-F215 HydrophobicContact SD-CE2 3.61Å; M145-F215 HydrophobicContact SD-CZ 3.74Å; F148-F215 AromaticContact CE2-CE1 3.98Å; F148-F215 HydrophobicContact CE2-CE1 3.98Å; F148-F215 HydrophobicContact CE2-CZ 4.35Å; M176-F215 HydrophobicContact CE-CE1 4.29Å; M176-F215 HydrophobicContact CE-CZ 3.98Å; M176-F215 HydrophobicContact SD-CZ 4.38Å; F215-C222 HydrophobicContact CD1-CB 4.23Å; F215-C222 HydrophobicContact CD2-CB 3.86Å; F215-C222 HydrophobicContact CE1-CB 3.94Å; F215-C222 HydrophobicContact CE2-CB 3.51Å; F215-C222 HydrophobicContact CG-CB 4.2Å; F215-C222 HydrophobicContact CZ-CB 3.56Å; F215-C222 PolarHBondContact N-O 2.92Å; F215-C222 PolarHBondContact O-N 3.36Å; F215-V224 HydrophobicContact CE1-CG2 3.77Å; F215-F471 WeakPolarHBondContact CA-O 3.45Å
216	Q	83.5	Confident	88.4	Confident	33 Å²	33	24.2 Å²	24.2	15%	0.154	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	156.3	176.7	64.1	-176.8	-41.7	0	0	111	R220 L221 H467 F468 F471	Q216-R220 WeakPolarHBondContact CA-O 3.18Å; Q216-L221 HydrophobicContact CB-CD2 3.62Å; Q216-H467 PolarHBondContact NE2-CD2 3.08Å; Q216-H467 PolarHBondContact NE2-CE1 3.25Å; Q216-H467 PolarHBondContact NE2-NE2 2.75Å; Q216-F468 PolarHBondContact NE2-O 3.05Å; Q216-F468 VanDerWaalsContact OE1-N 3.12Å; Q216-F471 HydrophobicContact CB-CB 4.35Å; Q216-F471 HydrophobicContact CG-CB 4.25Å
217	T	84.5	Confident	88.2	Confident	29 Å²	29	24 Å²	24	18%	0.178	12%	0.119	C	C	.	.			trans	-116.3	-175.6	168.5	63.3	0	0	0	0	108.7	M145 K181 D219 R220	M145-T217 HydrophobicContact CG-CG2 3.95Å; K181-T217 WeakPolarHBondContact CE-O 3.45Å; K181-T217 PolarHBondContact NZ-O 2.96Å; K181-T217 VanDerWaalsContact NZ-O 3.16Å; T217-D219 PolarHBondContact O-N 2.82Å; T217-D219 PolarHBondContact OG1-OD1 3.1Å; T217-R220 PolarHBondContact N-O 3.31Å; T217-R220 VanDerWaalsContact OG1-CB 3.32Å; T217-R220 WeakPolarHBondContact OG1-CB 3.29Å; T217-R220 PolarHBondContact OG1-N 3.42Å; T217-R220 PolarHBondContact OG1-O 3.46Å
218	K	83.5	Confident	87.9	Confident	112 Å²	112	24.4 Å²	24.4	49%	0.487	12%	0.121	S	C	.	.	S	Bend	trans	-55.2	-39.8	176.7	-170.9	178.2	-176.6	-178.5	0	112.5	E450 R465	K218-E450 IonicContact NZ-OE2 2.88Å; K218-E450 PolarHBondContact NZ-OE2 3.23Å; K218-R465 VanDerWaalsContact CE-NH1 3.35Å
219	D	81.6	Confident	87.7	Confident	55 Å²	55	24.8 Å²	24.8	29%	0.294	12%	0.123	S	C	.	.	S	Bend	trans	-116.8	-9.7	-173.4	67.6	-33.8	0	0	0	114.3	K181 T217	K181-D219 PolarHBondContact N-O 3.05Å; T217-D219 PolarHBondContact O-N 2.82Å; T217-D219 PolarHBondContact OG1-OD1 3.1Å
220	R	85	Confident	87.8	Confident	15 Å²	15	24.3 Å²	24.3	6%	0.057	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	152.7	-172.2	-58.1	150.1	-164.9	-117.3	-4.9	114.7	I178 L179 Q216 T217 T447	I178-R220 HydrophobicContact CG2-CB 4.06Å; I178-R220 HydrophobicContact CG2-CG 3.98Å; L179-R220 CarbonylContact O-C 3.18Å; L179-R220 WeakPolarHBondContact O-CA 3.41Å; L179-R220 WeakPolarHBondContact O-CB 3.15Å; Q216-R220 WeakPolarHBondContact CA-O 3.18Å; T217-R220 PolarHBondContact N-O 3.31Å; T217-R220 VanDerWaalsContact OG1-CB 3.32Å; T217-R220 WeakPolarHBondContact OG1-CB 3.29Å; T217-R220 PolarHBondContact OG1-N 3.42Å; T217-R220 PolarHBondContact OG1-O 3.46Å; R220-T447 VanDerWaalsContact NH2-CB 3.31Å; R220-T447 PolarHBondContact NH2-OG1 3.03Å; R220-T447 VanDerWaalsContact NH2-OG1 3.15Å
221	L	84.5	Confident	87.9	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	135.3	162.5	-58.9	179.5	0	0	0	108.9	I178 L179 K181 I184 T193 Q216 F468 F471	I178-L221 WeakPolarHBondContact CA-O 3.37Å; L179-L221 HydrophobicContact CB-CB 4.43Å; L179-L221 PolarHBondContact N-O 3.3Å; L179-L221 PolarHBondContact O-N 2.91Å; K181-L221 HydrophobicContact CG-CD2 4.38Å; K181-L221 HydrophobicContact CG-CG 4.11Å; I184-L221 HydrophobicContact CD1-CD1 3.85Å; I184-L221 HydrophobicContact CD1-CG 4.48Å; T193-L221 HydrophobicContact CG2-CD1 3.59Å; Q216-L221 HydrophobicContact CB-CD2 3.62Å; L221-F468 HydrophobicContact CD1-CD1 4.38Å; L221-F468 HydrophobicContact CD1-CD2 4.16Å; L221-F468 HydrophobicContact CD1-CE1 4.41Å; L221-F468 HydrophobicContact CD1-CE2 4.2Å; L221-F468 HydrophobicContact CD1-CG 4.24Å; L221-F468 HydrophobicContact CD1-CZ 4.33Å; L221-F468 HydrophobicContact CD2-CB 4.28Å; L221-F468 HydrophobicContact CD2-CD2 3.77Å; L221-F468 HydrophobicContact CD2-CE2 4.38Å; L221-F468 HydrophobicContact CD2-CG 4.12Å; L221-F468 HydrophobicContact CG-CD2 4.38Å; L221-F471 HydrophobicContact CB-CD1 4.33Å; L221-F471 HydrophobicContact CB-CE1 3.93Å; L221-F471 HydrophobicContact CD1-CD1 4.47Å; L221-F471 HydrophobicContact CD1-CE1 3.86Å; L221-F471 HydrophobicContact CD1-CZ 3.87Å; L221-F471 HydrophobicContact CD2-CD1 3.68Å; L221-F471 HydrophobicContact CD2-CE1 3.89Å; L221-F471 HydrophobicContact CD2-CG 4.07Å; L221-F471 HydrophobicContact CD2-CZ 4.48Å; L221-F471 HydrophobicContact CG-CD1 4.37Å; L221-F471 HydrophobicContact CG-CE1 4.1Å
222	C	86.8	Confident	88.1	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123.3	-176	-61.3	0	0	0	0	110.6	K177 S214 F215	K177-C222 WeakPolarHBondContact O-CA 3.39Å; S214-C222 WeakPolarHBondContact CA-O 3.43Å; F215-C222 HydrophobicContact CD1-CB 4.23Å; F215-C222 HydrophobicContact CD2-CB 3.86Å; F215-C222 HydrophobicContact CE1-CB 3.94Å; F215-C222 HydrophobicContact CE2-CB 3.51Å; F215-C222 HydrophobicContact CG-CB 4.2Å; F215-C222 HydrophobicContact CZ-CB 3.56Å; F215-C222 PolarHBondContact N-O 2.92Å; F215-C222 PolarHBondContact O-N 3.36Å
223	F	88.5	Confident	88.4	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	120.8	170.4	-58	-85	0	0	0	109	M176 K177 L179 T193 L211 M225 F471	M176-F223 CarbonylContact C-O 3.53Å; M176-F223 VanDerWaalsContact CA-O 3.28Å; M176-F223 WeakPolarHBondContact CA-O 3.24Å; K177-F223 HydrophobicContact CB-CB 4.29Å; K177-F223 PolarHBondContact N-O 3.13Å; K177-F223 PolarHBondContact O-N 3.47Å; L179-F223 HydrophobicContact CD1-CD2 4.38Å; L179-F223 HydrophobicContact CD1-CE2 3.84Å; T193-F223 HydrophobicContact CG2-CE2 4.26Å; T193-F223 HydrophobicContact CG2-CZ 4.2Å; L211-F223 HydrophobicContact CD1-CB 3.9Å; L211-F223 HydrophobicContact CD1-CD1 3.94Å; L211-F223 HydrophobicContact CD1-CG 4.45Å; F223-M225 HydrophobicContact CB-CG 4.2Å; F223-M225 HydrophobicContact CB-SD 4.31Å; F223-F471 AromaticContact CE1-CE1 3.72Å; F223-F471 HydrophobicContact CE1-CE1 3.72Å; F223-F471 HydrophobicContact CE1-CZ 4.04Å; F223-F471 HydrophobicContact CE2-CE1 4.11Å; F223-F471 HydrophobicContact CE2-CZ 4.49Å; F223-F471 AromaticContact CZ-CE1 3.4Å; F223-F471 HydrophobicContact CZ-CE1 3.4Å; F223-F471 AromaticContact CZ-CZ 3.56Å; F223-F471 HydrophobicContact CZ-CZ 3.56Å
224	V	91.6	Very high	88.5	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	109.5	174.4	-172.6	0	0	0	0	107.7	F148 Y174 M176 K212 Y213 F215	F148-V224 HydrophobicContact CE1-CG1 4.01Å; F148-V224 HydrophobicContact CE1-CG2 4.37Å; F148-V224 HydrophobicContact CE2-CG2 4.37Å; F148-V224 HydrophobicContact CZ-CG1 4.29Å; F148-V224 HydrophobicContact CZ-CG2 3.96Å; Y174-V224 VanDerWaalsContact CB-CG1 3.46Å; Y174-V224 HydrophobicContact CD1-CG1 4.15Å; Y174-V224 HydrophobicContact CD2-CG1 4.12Å; Y174-V224 HydrophobicContact CG-CG1 3.66Å; M176-V224 HydrophobicContact CE-CG2 3.79Å; M176-V224 HydrophobicContact CG-CG2 4.23Å; K212-V224 WeakPolarHBondContact CA-O 3.31Å; K212-V224 WeakPolarHBondContact CB-O 3.25Å; K212-V224 PolarHBondContact N-O 2.91Å; Y213-V224 HydrophobicContact CD2-CB 3.88Å; Y213-V224 HydrophobicContact CD2-CG1 3.86Å; Y213-V224 HydrophobicContact CD2-CG2 4.29Å; Y213-V224 HydrophobicContact CG-CB 4.42Å; Y213-V224 PolarHBondContact N-O 3.47Å; Y213-V224 VanDerWaalsContact N-O 3.14Å; Y213-V224 PolarHBondContact O-N 3.25Å; F215-V224 HydrophobicContact CE1-CG2 3.77Å
225	M	91.4	Very high	88.8	Confident	24 Å²	24	28.8 Å²	28.8	12%	0.118	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	161.3	-171	-56.8	175.7	-59.7	0	0	110.4	Y174 A175 K177 L200 T209 S210 L211 F223 Y227	Y174-M225 WeakPolarHBondContact CA-O 3.35Å; Y174-M225 WeakPolarHBondContact CB-O 3.36Å; A175-M225 PolarHBondContact N-O 2.7Å; A175-M225 PolarHBondContact O-N 3.48Å; K177-M225 HydrophobicContact CB-CE 3.82Å; K177-M225 HydrophobicContact CD-CE 4.4Å; L200-M225 HydrophobicContact CD1-SD 4.13Å; T209-M225 HydrophobicContact CG2-CB 4.11Å; S210-M225 CarbonylContact O-C 3.59Å; S210-M225 VanDerWaalsContact O-CA 3.32Å; S210-M225 WeakPolarHBondContact O-CA 3.17Å; L211-M225 HydrophobicContact CD1-CG 3.98Å; F223-M225 HydrophobicContact CB-CG 4.2Å; F223-M225 HydrophobicContact CB-SD 4.31Å; M225-Y227 PolarHBondContact O-N 2.89Å
226	E	91.3	Very high	89.1	Confident	55 Å²	55	28.8 Å²	28.8	26%	0.257	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-48.5	131.8	168.5	-177.8	179.2	177.1	0	0	111.2	T209 S210 V228 K286	T209-E226 HydrophobicContact CG2-CB 4.24Å; S210-E226 PolarHBondContact N-OE2 3.42Å; S210-E226 PolarHBondContact O-N 3.44Å; S210-E226 PolarHBondContact OG-OE2 2.98Å; S210-E226 VanDerWaalsContact OG-OE2 3.1Å; E226-V228 HydrophobicContact CG-CG2 4.42Å; E226-K286 VanDerWaalsContact CD-NZ 3.28Å; E226-K286 VanDerWaalsContact OE1-CE 3.26Å; E226-K286 WeakPolarHBondContact OE1-CE 3.36Å; E226-K286 IonicContact OE1-NZ 2.76Å; E226-K286 PolarHBondContact OE1-NZ 2.84Å; E226-K286 IonicContact OE2-NZ 2.72Å; E226-K286 PolarHBondContact OE2-NZ 3.03Å
227	Y	91.4	Very high	89.7	Confident	26 Å²	26	27.6 Å²	27.6	10%	0.102	13%	0.129	C	C	.	.			trans	-85.5	118.7	174.9	177	-126	0	0	0	110	L154 L164 A175 M225 N229 E429 D431 T432 F435	L154-Y227 HydrophobicContact CD1-CD2 3.83Å; L154-Y227 HydrophobicContact CD1-CE2 3.54Å; L154-Y227 HydrophobicContact CD2-CE2 4.01Å; L154-Y227 HydrophobicContact CG-CE2 4.43Å; L164-Y227 HydrophobicContact CD1-CD1 3.68Å; L164-Y227 HydrophobicContact CD1-CD2 3.79Å; L164-Y227 HydrophobicContact CD1-CE1 3.76Å; L164-Y227 HydrophobicContact CD1-CE2 3.88Å; L164-Y227 HydrophobicContact CD1-CG 3.7Å; L164-Y227 HydrophobicContact CD2-CE1 4.35Å; A175-Y227 HydrophobicContact CB-CD2 4.43Å; M225-Y227 PolarHBondContact O-N 2.89Å; Y227-N229 HydrophobicContact CD1-CB 4.15Å; Y227-N229 HydrophobicContact CE1-CB 3.48Å; Y227-N229 VanDerWaalsContact CE1-CB 3.48Å; Y227-N229 HydrophobicContact CE2-CB 4.41Å; Y227-E429 WeakPolarHBondContact CD1-O 3.5Å; Y227-E429 WeakPolarHBondContact CE1-O 3.41Å; Y227-D431 PolarHBondContact OH-O 3.4Å; Y227-T432 VanDerWaalsContact OH-CG2 3.31Å; Y227-T432 WeakPolarHBondContact OH-CG2 3.1Å; Y227-F435 AromaticContact CE2-CE2 3.77Å; Y227-F435 HydrophobicContact CE2-CE2 3.77Å; Y227-F435 AromaticContact CE2-CZ 3.55Å; Y227-F435 HydrophobicContact CE2-CZ 3.55Å; Y227-F435 AromaticContact CZ-CE2 3.83Å; Y227-F435 WeakPolarHBondContact OH-CE2 3.35Å
228	V	91.6	Very high	90	Very high	8 Å²	8	28.8 Å²	28.8	5%	0.048	14%	0.138	C	C	.	.			trans	-108.8	111.1	-179.5	-176.5	0	0	0	0	108.5	E226 M278 L279 K286 F435	E226-V228 HydrophobicContact CG-CG2 4.42Å; V228-M278 HydrophobicContact CB-CB 4.4Å; V228-M278 HydrophobicContact CB-CE 4.5Å; V228-M278 HydrophobicContact CB-SD 4.28Å; V228-M278 HydrophobicContact CG1-CB 3.61Å; V228-M278 HydrophobicContact CG1-SD 4.43Å; V228-M278 WeakPolarHBondContact O-CE 3.42Å; V228-L279 WeakPolarHBondContact CG1-O 3.37Å; V228-K286 HydrophobicContact CG1-CB 3.97Å; V228-K286 HydrophobicContact CG1-CG 4.05Å; V228-K286 HydrophobicContact CG2-CB 3.94Å; V228-K286 HydrophobicContact CG2-CD 4.43Å; V228-K286 HydrophobicContact CG2-CG 3.87Å; V228-F435 WeakPolarHBondContact O-CZ 3.36Å
229	N	90.8	Very high	90.4	Very high	10 Å²	10	31.6 Å²	31.6	5%	0.053	15%	0.146	C	C	.	.			trans	-111.1	1.5	-167	72.5	-26.3	0	0	0	115	Y227 G231 V426 S428 Y434	Y227-N229 HydrophobicContact CD1-CB 4.15Å; Y227-N229 HydrophobicContact CE1-CB 3.48Å; Y227-N229 VanDerWaalsContact CE1-CB 3.48Å; Y227-N229 HydrophobicContact CE2-CB 4.41Å; N229-G231 PolarHBondContact O-N 2.89Å; N229-V426 WeakPolarHBondContact O-CG1 3.22Å; N229-S428 PolarHBondContact ND2-O 3.39Å; N229-Y434 WeakPolarHBondContact O-CD2 3.36Å
230	G	92.6	Very high	90.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-78.7	-3	178.4	0	0	0	0	0	114	H236 L279	G230-H236 PolarHBondContact O-CE1 3.26Å; G230-H236 PolarHBondContact O-NE2 3.05Å; G230-L279 CarbonylContact C-O 3.59Å; G230-L279 WeakPolarHBondContact CA-O 3.43Å; G230-L279 PolarHBondContact N-O 2.62Å
231	G	91.1	Very high	91.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	18%	0.182	C	C	.	.			trans	89.9	163.9	176.6	0	0	0	0	0	114.3	N229 M278 L279	N229-G231 PolarHBondContact O-N 2.89Å; G231-M278 CarbonylContact O-C 3.59Å; G231-M278 WeakPolarHBondContact O-CA 3.21Å; G231-L279 PolarHBondContact O-N 3.34Å
232	E	91.4	Very high	92	Very high	79 Å²	79	44.4 Å²	44.4	37%	0.369	20%	0.201	S	C	.	.	B	Isolated β-bridge	trans	-68.8	144.6	173.9	-65.9	172.2	-157	0	0	111.1	F234 F235 H236 M278	E232-F234 PolarHBondContact O-N 3.41Å; E232-F235 WeakPolarHBondContact O-CB 3.26Å; E232-F235 PolarHBondContact O-N 3.25Å; E232-F235 VanDerWaalsContact O-N 3.13Å; E232-H236 PolarHBondContact O-CD2 3.26Å; E232-H236 PolarHBondContact O-N 3.42Å; E232-M278 HydrophobicContact CG-CE 4.43Å; E232-M278 HydrophobicContact CG-CG 4.27Å
233	L	94.6	Very high	92.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-67.4	-31.9	178.9	-158.3	65.1	0	0	0	111.1	F235 H236 L237 F243 Y251 L274 L277 L279 I285 M339	L233-F235 VanDerWaalsContact C-N 3.3Å; L233-F235 PolarHBondContact O-N 2.92Å; L233-H236 PolarHBondContact O-N 2.76Å; L233-L237 WeakPolarHBondContact O-CB 3.33Å; L233-L237 PolarHBondContact O-N 3.27Å; L233-F243 HydrophobicContact CD1-CE2 3.86Å; L233-F243 HydrophobicContact CD1-CZ 4.2Å; L233-F243 HydrophobicContact CG-CE2 3.97Å; L233-F243 HydrophobicContact CG-CZ 4.5Å; L233-Y251 HydrophobicContact CD1-CD2 4.1Å; L233-Y251 HydrophobicContact CD1-CE2 3.77Å; L233-Y251 HydrophobicContact CD2-CD2 4.29Å; L233-L274 HydrophobicContact CD2-CD2 4.09Å; L233-L274 HydrophobicContact CG-CD2 4.42Å; L233-L277 HydrophobicContact CB-CB 3.98Å; L233-L277 WeakPolarHBondContact CB-O 3.42Å; L233-L277 HydrophobicContact CD2-CB 4.17Å; L233-L277 HydrophobicContact CD2-CD1 4.16Å; L233-L277 PolarHBondContact N-O 3.45Å; L233-L279 HydrophobicContact CD1-CD1 4.19Å; L233-L279 HydrophobicContact CD1-CD2 4.02Å; L233-L279 HydrophobicContact CD1-CG 4.1Å; L233-I285 HydrophobicContact CD1-CD1 4.48Å; L233-I285 HydrophobicContact CD2-CD1 3.93Å; L233-M339 HydrophobicContact CD2-CE 3.28Å; L233-M339 HydrophobicContact CD2-SD 4.04Å
234	F	91.3	Very high	93	Very high	82 Å²	82	47.9 Å²	47.9	36%	0.36	23%	0.225	S	C	.	.	H	α-helix	trans	-53.6	-44.6	169.6	179.6	-101	0	0	0	112.5	E232 S238 L274 E275	E232-F234 PolarHBondContact O-N 3.41Å; F234-S238 VanDerWaalsContact O-CB 3.25Å; F234-S238 WeakPolarHBondContact O-CB 2.83Å; F234-S238 PolarHBondContact O-N 2.85Å; F234-S238 PolarHBondContact O-OG 3.29Å; F234-L274 HydrophobicContact CB-CB 3.86Å; F234-L274 HydrophobicContact CD2-CB 4.34Å; F234-L274 HydrophobicContact CD2-CD1 4.43Å; F234-L274 PolarHBondContact N-O 3.47Å; F234-E275 HydrophobicContact CB-CG 4.37Å; F234-E275 HydrophobicContact CG-CG 4.42Å
235	F	90.8	Very high	93.3	Very high	71 Å²	71	49.9 Å²	49.9	31%	0.311	23%	0.234	S	C	.	.	H	α-helix	trans	-63.1	-45.8	178.4	172.4	-90.4	0	0	0	111.8	E232 L233 S238 R239 Y434	E232-F235 WeakPolarHBondContact O-CB 3.26Å; E232-F235 PolarHBondContact O-N 3.25Å; E232-F235 VanDerWaalsContact O-N 3.13Å; L233-F235 VanDerWaalsContact C-N 3.3Å; L233-F235 PolarHBondContact O-N 2.92Å; F235-S238 PolarHBondContact O-N 3.31Å; F235-R239 VanDerWaalsContact CE1-CD 3.5Å; F235-R239 VanDerWaalsContact CZ-CD 3.47Å; F235-R239 WeakPolarHBondContact O-CG 3.33Å; F235-R239 PolarHBondContact O-N 3.05Å; F235-Y434 HydrophobicContact CD1-CD1 4.07Å; F235-Y434 AromaticContact CE1-CD1 3.53Å; F235-Y434 HydrophobicContact CE1-CD1 3.53Å; F235-Y434 AromaticContact CE1-CE1 3.95Å; F235-Y434 HydrophobicContact CE1-CE1 3.95Å; F235-Y434 HydrophobicContact CZ-CD1 4.23Å
236	H	94.4	Very high	93.6	Very high	5 Å²	5	55.3 Å²	55.3	2%	0.023	26%	0.259	C	S	.	.	H	α-helix	trans	-65.5	-44.6	179.3	-66.4	-63.1	0	0	0	111.8	G230 E232 L233 S238 R239 E240 F243 F422 Y434	G230-H236 PolarHBondContact O-CE1 3.26Å; G230-H236 PolarHBondContact O-NE2 3.05Å; E232-H236 PolarHBondContact O-CD2 3.26Å; E232-H236 PolarHBondContact O-N 3.42Å; L233-H236 PolarHBondContact O-N 2.76Å; H236-S238 PolarHBondContact O-N 2.92Å; H236-R239 PolarHBondContact O-N 2.58Å; H236-E240 PolarHBondContact O-N 3.49Å; H236-F243 HydrophobicContact CB-CE1 4.39Å; H236-F243 HydrophobicContact CB-CZ 3.92Å; H236-F422 AromaticContact CE1-CE1 3.57Å; H236-F422 AromaticContact CE1-CZ 3.74Å; H236-F422 AromaticContact ND1-CE1 3.7Å; H236-F422 AromaticContact ND1-CZ 3.68Å; H236-Y434 AromaticContact CE1-CE1 3.82Å
237	L	94.9	Very high	94	Very high	9 Å²	9	53.4 Å²	53.4	5%	0.047	25%	0.249	C	C	.	.	H	α-helix	trans	-64.5	-41.2	177.8	-173.8	66	0	0	0	111.4	L233 R239 E240 R241 F243 L274 E338	L233-L237 WeakPolarHBondContact O-CB 3.33Å; L233-L237 PolarHBondContact O-N 3.27Å; L237-R239 PolarHBondContact O-N 3.03Å; L237-E240 PolarHBondContact O-N 3.33Å; L237-R241 CarbonylContact O-C 3.57Å; L237-R241 WeakPolarHBondContact O-CA 3.31Å; L237-R241 PolarHBondContact O-N 2.8Å; L237-F243 HydrophobicContact CB-CE1 4.24Å; L237-F243 HydrophobicContact CB-CE2 4.15Å; L237-F243 HydrophobicContact CB-CZ 3.8Å; L237-F243 HydrophobicContact CD1-CD1 3.9Å; L237-F243 HydrophobicContact CD1-CD2 4.02Å; L237-F243 HydrophobicContact CD1-CE1 3.99Å; L237-F243 HydrophobicContact CD1-CE2 4.1Å; L237-F243 HydrophobicContact CD1-CG 3.91Å; L237-F243 HydrophobicContact CD1-CZ 4.09Å; L237-L274 HydrophobicContact CD2-CD1 3.4Å; L237-E338 HydrophobicContact CD2-CG 3.94Å
238	S	91.4	Very high	94.3	Very high	54 Å²	54	52.1 Å²	52.1	38%	0.378	24%	0.244	S	C	.	.	H	α-helix	trans	-58.5	-35	177.8	-69	0	0	0	0	112.8	F234 F235 H236	F234-S238 VanDerWaalsContact O-CB 3.25Å; F234-S238 WeakPolarHBondContact O-CB 2.83Å; F234-S238 PolarHBondContact O-N 2.85Å; F234-S238 PolarHBondContact O-OG 3.29Å; F235-S238 PolarHBondContact O-N 3.31Å; H236-S238 PolarHBondContact O-N 2.92Å
239	R	90.9	Very high	94.7	Very high	171 Å²	171	54.9 Å²	54.9	65%	0.645	25%	0.254	S	S	*	.	H	α-helix	trans	-78.8	-42.5	177.6	-71	-178.3	63.8	-173	-0.7	113.1	F235 H236 L237	F235-R239 VanDerWaalsContact CE1-CD 3.5Å; F235-R239 VanDerWaalsContact CZ-CD 3.47Å; F235-R239 WeakPolarHBondContact O-CG 3.33Å; F235-R239 PolarHBondContact O-N 3.05Å; H236-R239 PolarHBondContact O-N 2.58Å; L237-R239 PolarHBondContact O-N 3.03Å
240	E	93.7	Very high	95	Very high	87 Å²	87	55 Å²	55	41%	0.407	25%	0.254	S	S	.	.	H	α-helix	trans	-87.2	-9.2	-177	-67	-175.5	-129.4	0	0	113.5	H236 L237 V242 F243 R247	H236-E240 PolarHBondContact O-N 3.49Å; L237-E240 PolarHBondContact O-N 3.33Å; E240-V242 PolarHBondContact O-N 2.75Å; E240-F243 HydrophobicContact CB-CD1 4.41Å; E240-F243 HydrophobicContact CB-CE1 4.18Å; E240-R247 IonicContact OE1-CZ 2.81Å; E240-R247 IonicContact OE1-NH1 2.89Å; E240-R247 PolarHBondContact OE1-NH1 3.49Å; E240-R247 IonicContact OE1-NH2 3.18Å; E240-R247 IonicContact OE2-CZ 2.8Å; E240-R247 IonicContact OE2-NH1 3.25Å; E240-R247 PolarHBondContact OE2-NH1 3.17Å
241	R	94.4	Very high	95.3	Very high	187 Å²	187	55 Å²	55	71%	0.706	25%	0.254	S	S	*	.	S	Bend	trans	66.5	-46.7	-175.3	-53.4	-60.5	-171.3	173.7	-1.1	114.4	L237 G342	L237-R241 CarbonylContact O-C 3.57Å; L237-R241 WeakPolarHBondContact O-CA 3.31Å; L237-R241 PolarHBondContact O-N 2.8Å; R241-G342 WeakPolarHBondContact O-CA 3.34Å
242	V	96.9	Very high	95.7	Very high	64 Å²	64	55 Å²	55	39%	0.388	25%	0.254	S	S	.	.	S	Bend	trans	-145.8	140.5	-176.3	178.8	0	0	0	0	108.8	E240 M340	E240-V242 PolarHBondContact O-N 2.75Å; V242-M340 WeakPolarHBondContact CG1-O 3.38Å
243	F	98.3	Very high	96	Very high	5 Å²	5	51.3 Å²	51.3	2%	0.022	24%	0.237	C	C	.	.			trans	-93.3	149.3	167.4	-63.4	-23.5	0	0	0	111.2	L233 H236 L237 E240 R247 Y251 M339	L233-F243 HydrophobicContact CD1-CE2 3.86Å; L233-F243 HydrophobicContact CD1-CZ 4.2Å; L233-F243 HydrophobicContact CG-CE2 3.97Å; L233-F243 HydrophobicContact CG-CZ 4.5Å; H236-F243 HydrophobicContact CB-CE1 4.39Å; H236-F243 HydrophobicContact CB-CZ 3.92Å; L237-F243 HydrophobicContact CB-CE1 4.24Å; L237-F243 HydrophobicContact CB-CE2 4.15Å; L237-F243 HydrophobicContact CB-CZ 3.8Å; L237-F243 HydrophobicContact CD1-CD1 3.9Å; L237-F243 HydrophobicContact CD1-CD2 4.02Å; L237-F243 HydrophobicContact CD1-CE1 3.99Å; L237-F243 HydrophobicContact CD1-CE2 4.1Å; L237-F243 HydrophobicContact CD1-CG 3.91Å; L237-F243 HydrophobicContact CD1-CZ 4.09Å; E240-F243 HydrophobicContact CB-CD1 4.41Å; E240-F243 HydrophobicContact CB-CE1 4.18Å; F243-R247 HydrophobicContact CB-CB 4.29Å; F243-R247 HydrophobicContact CB-CG 4.17Å; F243-R247 HydrophobicContact CD2-CG 4.43Å; F243-R247 VanDerWaalsContact CE1-CZ 3.46Å; F243-R247 HydrophobicContact CG-CG 4.23Å; F243-Y251 HydrophobicContact CD2-CD2 4.24Å; F243-Y251 HydrophobicContact CD2-CE2 4.09Å; F243-Y251 HydrophobicContact CE2-CD2 4.29Å; F243-Y251 AromaticContact CE2-CE2 3.93Å; F243-Y251 HydrophobicContact CE2-CE2 3.93Å; F243-M339 HydrophobicContact CB-CB 4.39Å; F243-M339 HydrophobicContact CD2-CB 3.94Å; F243-M339 HydrophobicContact CD2-CG 3.78Å; F243-M339 HydrophobicContact CD2-SD 3.86Å; F243-M339 HydrophobicContact CE2-CG 4.21Å; F243-M339 HydrophobicContact CE2-SD 4.27Å; F243-M339 PolarHBondContact N-O 2.92Å
244	S	98.3	Very high	96.2	Very high	69 Å²	69	51.3 Å²	51.3	48%	0.483	24%	0.237	S	C	.	.			trans	-62.9	157.1	171	67.2	0	0	0	0	111	E246 R247 T248	S244-E246 PolarHBondContact O-N 3.5Å; S244-R247 PolarHBondContact O-N 3.13Å; S244-R247 WeakPolarHBondContact OG-CB 3.24Å; S244-R247 PolarHBondContact OG-N 3.46Å; S244-R247 VanDerWaalsContact OG-N 3.12Å; S244-T248 PolarHBondContact O-N 2.87Å; S244-T248 PolarHBondContact O-OG1 3.02Å
245	E	98.3	Very high	96.6	Very high	41 Å²	41	47.4 Å²	47.4	19%	0.192	22%	0.22	C	C	.	.	H	α-helix	trans	-60.8	-32.3	174.2	-63.5	-168.2	-170.1	0	0	111.7	T248 R249 M340 S370 A373 F404	E245-T248 PolarHBondContact O-N 2.73Å; E245-R249 VanDerWaalsContact O-CB 3.24Å; E245-R249 WeakPolarHBondContact O-CB 3.39Å; E245-R249 PolarHBondContact O-N 2.97Å; E245-M340 HydrophobicContact CB-SD 4.42Å; E245-M340 HydrophobicContact CG-CG 4.43Å; E245-M340 HydrophobicContact CG-SD 3.89Å; E245-S370 VanDerWaalsContact CD-OG 3.32Å; E245-S370 WeakPolarHBondContact OE1-CB 3.32Å; E245-S370 PolarHBondContact OE1-N 3.06Å; E245-S370 PolarHBondContact OE1-OG 2.86Å; E245-S370 VanDerWaalsContact OE2-CB 3.22Å; E245-S370 WeakPolarHBondContact OE2-CB 3.42Å; E245-S370 PolarHBondContact OE2-OG 3.46Å; E245-A373 HydrophobicContact CG-CB 4.48Å; E245-F404 HydrophobicContact CB-CE2 4.22Å
246	E	98	Very high	97	Very high	138 Å²	138	44 Å²	44	65%	0.645	21%	0.205	S	C	*	.	H	α-helix	trans	-65.3	-45.7	174.7	-176.2	-179.9	-176.4	0	0	112.2	S244 T248 R249 F250	S244-E246 PolarHBondContact O-N 3.5Å; E246-T248 VanDerWaalsContact C-N 3.34Å; E246-R249 WeakPolarHBondContact O-CB 3.48Å; E246-R249 PolarHBondContact O-N 3.42Å; E246-F250 PolarHBondContact O-N 3.32Å
247	R	98.4	Very high	97.2	Very high	15 Å²	15	44.3 Å²	44.3	6%	0.057	21%	0.207	C	C	.	.	H	α-helix	trans	-65	-40.9	175.7	179	168.5	-173.2	-170.5	-3.4	111.7	E240 F243 S244 R249 F250 Y251 P421 F422	E240-R247 IonicContact OE1-CZ 2.81Å; E240-R247 IonicContact OE1-NH1 2.89Å; E240-R247 PolarHBondContact OE1-NH1 3.49Å; E240-R247 IonicContact OE1-NH2 3.18Å; E240-R247 IonicContact OE2-CZ 2.8Å; E240-R247 IonicContact OE2-NH1 3.25Å; E240-R247 PolarHBondContact OE2-NH1 3.17Å; F243-R247 HydrophobicContact CB-CB 4.29Å; F243-R247 HydrophobicContact CB-CG 4.17Å; F243-R247 HydrophobicContact CD2-CG 4.43Å; F243-R247 VanDerWaalsContact CE1-CZ 3.46Å; F243-R247 HydrophobicContact CG-CG 4.23Å; S244-R247 PolarHBondContact O-N 3.13Å; S244-R247 WeakPolarHBondContact OG-CB 3.24Å; S244-R247 PolarHBondContact OG-N 3.46Å; S244-R247 VanDerWaalsContact OG-N 3.12Å; R247-R249 VanDerWaalsContact C-N 3.34Å; R247-F250 PolarHBondContact O-N 2.6Å; R247-Y251 HydrophobicContact CG-CD2 3.97Å; R247-Y251 HydrophobicContact CG-CE2 3.43Å; R247-Y251 VanDerWaalsContact CG-CE2 3.43Å; R247-Y251 VanDerWaalsContact NE-CE2 3.26Å; R247-Y251 PolarHBondContact NE-OH 3.32Å; R247-Y251 PolarHBondContact NH2-OH 3.28Å; R247-Y251 WeakPolarHBondContact O-CD2 3.14Å; R247-Y251 PolarHBondContact O-N 3.02Å; R247-Y251 VanDerWaalsContact O-N 3.13Å; R247-P421 HydrophobicContact CB-CB 4.38Å; R247-P421 HydrophobicContact CB-CG 4.07Å; R247-P421 HydrophobicContact CG-CB 4.43Å; R247-P421 HydrophobicContact CG-CG 3.79Å; R247-F422 VanDerWaalsContact NH2-CG 3.3Å
248	T	98.4	Very high	97.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.3	-38.5	175.5	-54.2	0	0	0	0	111.5	S244 E245 E246 F250 Y251 G252 T336 M339 M340	S244-T248 PolarHBondContact O-N 2.87Å; S244-T248 PolarHBondContact O-OG1 3.02Å; E245-T248 PolarHBondContact O-N 2.73Å; E246-T248 VanDerWaalsContact C-N 3.34Å; T248-F250 VanDerWaalsContact C-N 3.35Å; T248-Y251 PolarHBondContact O-N 3.06Å; T248-G252 WeakPolarHBondContact O-CA 3.22Å; T248-G252 PolarHBondContact O-N 3.39Å; T248-T336 HydrophobicContact CG2-CG2 3.94Å; T248-M339 HydrophobicContact CG2-CB 3.92Å; T248-M339 HydrophobicContact CG2-SD 4.04Å; T248-M340 HydrophobicContact CG2-CE 4.17Å; T248-M340 HydrophobicContact CG2-CG 3.76Å; T248-M340 HydrophobicContact CG2-SD 4.16Å; T248-M340 WeakPolarHBondContact OG1-CG 3.25Å
249	R	98.8	Very high	97.6	Very high	65 Å²	65	41.3 Å²	41.3	25%	0.245	19%	0.187	C	C	.	.	H	α-helix	trans	-61.2	-43.5	175.1	-175.3	-171.4	-60.3	112	7.2	111.6	E245 E246 R247 A253 F404 F405 I408	E245-R249 VanDerWaalsContact O-CB 3.24Å; E245-R249 WeakPolarHBondContact O-CB 3.39Å; E245-R249 PolarHBondContact O-N 2.97Å; E246-R249 WeakPolarHBondContact O-CB 3.48Å; E246-R249 PolarHBondContact O-N 3.42Å; R247-R249 VanDerWaalsContact C-N 3.34Å; R249-A253 VanDerWaalsContact O-CB 3.31Å; R249-A253 WeakPolarHBondContact O-CB 3.35Å; R249-A253 PolarHBondContact O-N 2.76Å; R249-F404 HydrophobicContact CB-CD1 4.48Å; R249-F404 HydrophobicContact CB-CE1 3.72Å; R249-F404 HydrophobicContact CB-CZ 4.01Å; R249-F404 WeakPolarHBondContact CD-O 3.35Å; R249-F404 HydrophobicContact CG-CD1 4.35Å; R249-F404 HydrophobicContact CG-CE1 4.06Å; R249-F404 PolarHBondContact NE-O 3.15Å; R249-F405 HydrophobicContact CG-CD1 3.83Å; R249-F405 HydrophobicContact CG-CE1 4.17Å; R249-I408 HydrophobicContact CG-CD1 4.37Å; R249-I408 HydrophobicContact CG-CG1 4.37Å
250	F	98.8	Very high	97.9	Very high	14 Å²	14	35.9 Å²	35.9	6%	0.061	17%	0.171	C	C	.	.	H	α-helix	trans	-59.2	-56.7	175.9	176.6	-88.8	0	0	0	111.2	E246 R247 T248 G252 A253 E254 H284 L418 P420 P421	E246-F250 PolarHBondContact O-N 3.32Å; R247-F250 PolarHBondContact O-N 2.6Å; T248-F250 VanDerWaalsContact C-N 3.35Å; F250-G252 PolarHBondContact O-N 2.94Å; F250-A253 PolarHBondContact O-N 3.15Å; F250-E254 WeakPolarHBondContact CZ-OE1 3.23Å; F250-E254 PolarHBondContact O-N 3Å; F250-H284 AromaticContact CZ-ND1 3.71Å; F250-L418 HydrophobicContact CD2-CB 4.09Å; F250-L418 HydrophobicContact CD2-CD1 4.5Å; F250-L418 HydrophobicContact CE2-CB 3.68Å; F250-P420 HydrophobicContact CE1-CB 4.18Å; F250-P420 HydrophobicContact CE1-CG 4.5Å; F250-P420 HydrophobicContact CE2-CG 4.5Å; F250-P420 HydrophobicContact CZ-CB 3.9Å; F250-P420 HydrophobicContact CZ-CG 3.83Å; F250-P421 HydrophobicContact CB-CG 4.13Å; F250-P421 VanDerWaalsContact CD1-CD 3.4Å; F250-P421 HydrophobicContact CD1-CG 4.06Å; F250-P421 VanDerWaalsContact CG-CD 3.45Å; F250-P421 HydrophobicContact CG-CG 4.09Å
251	Y	98.8	Very high	97.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64	-40.3	179.8	-61.4	-37.3	0	0	0	112.6	L233 F243 R247 T248 A253 E254 I255 L279 I285 M339	L233-Y251 HydrophobicContact CD1-CD2 4.1Å; L233-Y251 HydrophobicContact CD1-CE2 3.77Å; L233-Y251 HydrophobicContact CD2-CD2 4.29Å; F243-Y251 HydrophobicContact CD2-CD2 4.24Å; F243-Y251 HydrophobicContact CD2-CE2 4.09Å; F243-Y251 HydrophobicContact CE2-CD2 4.29Å; F243-Y251 AromaticContact CE2-CE2 3.93Å; F243-Y251 HydrophobicContact CE2-CE2 3.93Å; R247-Y251 HydrophobicContact CG-CD2 3.97Å; R247-Y251 HydrophobicContact CG-CE2 3.43Å; R247-Y251 VanDerWaalsContact CG-CE2 3.43Å; R247-Y251 VanDerWaalsContact NE-CE2 3.26Å; R247-Y251 PolarHBondContact NE-OH 3.32Å; R247-Y251 PolarHBondContact NH2-OH 3.28Å; R247-Y251 WeakPolarHBondContact O-CD2 3.14Å; R247-Y251 PolarHBondContact O-N 3.02Å; R247-Y251 VanDerWaalsContact O-N 3.13Å; T248-Y251 PolarHBondContact O-N 3.06Å; Y251-A253 VanDerWaalsContact C-N 3.31Å; Y251-A253 PolarHBondContact O-N 3.48Å; Y251-E254 PolarHBondContact O-N 3.35Å; Y251-I255 WeakPolarHBondContact O-CD1 3.31Å; Y251-I255 VanDerWaalsContact O-CG1 3.23Å; Y251-I255 WeakPolarHBondContact O-CG1 3.47Å; Y251-I255 PolarHBondContact O-N 2.72Å; Y251-L279 HydrophobicContact CD1-CD2 4.31Å; Y251-L279 HydrophobicContact CE1-CD2 3.69Å; Y251-I285 HydrophobicContact CD1-CD1 3.79Å; Y251-I285 HydrophobicContact CD1-CG1 3.7Å; Y251-I285 HydrophobicContact CG-CD1 3.99Å; Y251-I285 HydrophobicContact CG-CG1 4.16Å; Y251-M339 HydrophobicContact CD2-SD 3.94Å
252	G	98.7	Very high	97.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60	-39.9	176.5	0	0	0	0	0	112.4	T248 F250 I255 V256	T248-G252 WeakPolarHBondContact O-CA 3.22Å; T248-G252 PolarHBondContact O-N 3.39Å; F250-G252 PolarHBondContact O-N 2.94Å; G252-I255 PolarHBondContact O-N 3.03Å; G252-V256 WeakPolarHBondContact O-CB 3.36Å; G252-V256 WeakPolarHBondContact O-CG2 3.35Å; G252-V256 PolarHBondContact O-N 2.93Å
253	A	98.8	Very high	97.3	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.9	-42.2	176.8	0	0	0	0	0	111.9	R249 F250 Y251 V256 S257 F405 I408 W410 V413	R249-A253 VanDerWaalsContact O-CB 3.31Å; R249-A253 WeakPolarHBondContact O-CB 3.35Å; R249-A253 PolarHBondContact O-N 2.76Å; F250-A253 PolarHBondContact O-N 3.15Å; Y251-A253 VanDerWaalsContact C-N 3.31Å; Y251-A253 PolarHBondContact O-N 3.48Å; A253-V256 PolarHBondContact O-N 2.99Å; A253-S257 WeakPolarHBondContact O-CB 3.48Å; A253-S257 PolarHBondContact O-N 3.44Å; A253-F405 HydrophobicContact CB-CD1 4.29Å; A253-F405 HydrophobicContact CB-CE1 4.21Å; A253-I408 HydrophobicContact CB-CG2 4.3Å; A253-W410 HydrophobicContact CB-CH2 4.15Å; A253-W410 HydrophobicContact CB-CZ3 4.09Å; A253-W410 WeakPolarHBondContact O-CZ3 3.31Å; A253-V413 HydrophobicContact CB-CG1 4.47Å; A253-V413 HydrophobicContact CB-CG2 4.03Å
254	E	98.8	Very high	96.8	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-65.2	-40.6	176.6	-62.8	-171.2	146.7	0	0	112.2	F207 F250 Y251 S257 A258 H284 I285 V413	F207-E254 HydrophobicContact CD1-CB 4.13Å; F207-E254 HydrophobicContact CD1-CG 4.26Å; F207-E254 HydrophobicContact CD2-CB 3.7Å; F207-E254 HydrophobicContact CD2-CG 4.2Å; F207-E254 WeakPolarHBondContact CD2-O 2.88Å; F207-E254 HydrophobicContact CE1-CB 4.16Å; F207-E254 VanDerWaalsContact CE1-CD 3.42Å; F207-E254 HydrophobicContact CE1-CG 3.8Å; F207-E254 WeakPolarHBondContact CE1-OE1 3.43Å; F207-E254 HydrophobicContact CE2-CB 3.78Å; F207-E254 HydrophobicContact CE2-CG 3.77Å; F207-E254 HydrophobicContact CG-CB 3.91Å; F207-E254 HydrophobicContact CG-CG 4.45Å; F207-E254 HydrophobicContact CZ-CB 3.99Å; F207-E254 HydrophobicContact CZ-CG 3.53Å; F207-E254 WeakPolarHBondContact CZ-OE1 3.35Å; F250-E254 WeakPolarHBondContact CZ-OE1 3.23Å; F250-E254 PolarHBondContact O-N 3Å; Y251-E254 PolarHBondContact O-N 3.35Å; E254-S257 WeakPolarHBondContact O-CB 3.2Å; E254-S257 PolarHBondContact O-N 3.16Å; E254-A258 PolarHBondContact O-N 2.73Å; E254-H284 IonicContact OE1-CE1 2.63Å; E254-H284 IonicContact OE1-CG 3.94Å; E254-H284 IonicContact OE1-ND1 3.91Å; E254-H284 PolarHBondContact OE1-ND1 3.43Å; E254-I285 HydrophobicContact CB-CB 4.04Å; E254-I285 HydrophobicContact CB-CG1 4.22Å; E254-I285 WeakPolarHBondContact OE2-CB 3.17Å; E254-I285 VanDerWaalsContact OE2-CG1 3.31Å; E254-I285 WeakPolarHBondContact OE2-CG1 3.44Å; E254-I285 PolarHBondContact OE2-N 3.17Å; E254-V413 HydrophobicContact CG-CG1 4.38Å
255	I	98.8	Very high	96.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.4	-46.6	175.5	-63.7	161.7	0	0	0	110.6	Y251 G252 S257 A258 L259 L272 L277 I285 L332 V335 M339	Y251-I255 WeakPolarHBondContact O-CD1 3.31Å; Y251-I255 VanDerWaalsContact O-CG1 3.23Å; Y251-I255 WeakPolarHBondContact O-CG1 3.47Å; Y251-I255 PolarHBondContact O-N 2.72Å; G252-I255 PolarHBondContact O-N 3.03Å; I255-S257 VanDerWaalsContact C-N 3.31Å; I255-S257 PolarHBondContact O-N 3.45Å; I255-A258 PolarHBondContact O-N 2.94Å; I255-L259 HydrophobicContact CG2-CD1 4Å; I255-L259 HydrophobicContact CG2-CG 4.27Å; I255-L259 WeakPolarHBondContact O-CG 3.44Å; I255-L259 PolarHBondContact O-N 2.99Å; I255-L272 HydrophobicContact CG2-CD1 4.1Å; I255-L272 HydrophobicContact CG2-CD2 3.89Å; I255-L277 HydrophobicContact CD1-CD1 3.67Å; I255-L277 HydrophobicContact CD1-CD2 4.12Å; I255-L277 HydrophobicContact CG1-CD1 4.48Å; I255-L277 HydrophobicContact CG1-CD2 4.02Å; I255-I285 HydrophobicContact CG1-CG2 4.05Å; I255-L332 HydrophobicContact CB-CD1 4.17Å; I255-L332 HydrophobicContact CG2-CD1 3.81Å; I255-V335 HydrophobicContact CD1-CG1 4.33Å; I255-M339 HydrophobicContact CD1-CE 4.22Å
256	V	98.8	Very high	95.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.1	-43.2	176.7	168.7	0	0	0	0	111	G252 A253 A258 L259 N260 W329 L332 A396 I399 M400 F405 W410	G252-V256 WeakPolarHBondContact O-CB 3.36Å; G252-V256 WeakPolarHBondContact O-CG2 3.35Å; G252-V256 PolarHBondContact O-N 2.93Å; A253-V256 PolarHBondContact O-N 2.99Å; V256-A258 PolarHBondContact O-N 3.08Å; V256-L259 PolarHBondContact O-N 3.21Å; V256-N260 VanDerWaalsContact O-CB 3.26Å; V256-N260 WeakPolarHBondContact O-CB 3.5Å; V256-N260 PolarHBondContact O-N 3.22Å; V256-W329 HydrophobicContact CG2-CZ3 4.31Å; V256-L332 HydrophobicContact CG2-CD1 4.45Å; V256-L332 HydrophobicContact CG2-CD2 3.43Å; V256-L332 VanDerWaalsContact CG2-CD2 3.43Å; V256-A396 HydrophobicContact CG1-CB 4.41Å; V256-I399 HydrophobicContact CG1-CG2 4.49Å; V256-I399 HydrophobicContact CG2-CG2 3.84Å; V256-M400 HydrophobicContact CG1-CG 3.82Å; V256-F405 HydrophobicContact CG2-CZ 4.48Å; V256-W410 HydrophobicContact CB-CH2 3.99Å; V256-W410 HydrophobicContact CB-CZ3 3.84Å; V256-W410 HydrophobicContact CG1-CH2 3.71Å; V256-W410 HydrophobicContact CG1-CZ3 3.6Å
257	S	98.7	Very high	94.4	Very high	11 Å²	11	20.4 Å²	20.4	8%	0.077	11%	0.109	C	C	.	.	H	α-helix	trans	-58.5	-46.2	176.1	177.6	0	0	0	0	111.7	H205 A253 E254 I255 Y261	H205-S257 PolarHBondContact CE1-OG 3.23Å; H205-S257 PolarHBondContact NE2-O 3.18Å; H205-S257 PolarHBondContact NE2-OG 3.04Å; A253-S257 WeakPolarHBondContact O-CB 3.48Å; A253-S257 PolarHBondContact O-N 3.44Å; E254-S257 WeakPolarHBondContact O-CB 3.2Å; E254-S257 PolarHBondContact O-N 3.16Å; I255-S257 VanDerWaalsContact C-N 3.31Å; I255-S257 PolarHBondContact O-N 3.45Å; S257-Y261 PolarHBondContact O-N 3.28Å; S257-Y261 VanDerWaalsContact O-N 3.17Å
258	A	97.9	Very high	93.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-66.1	-43.6	178.4	0	0	0	0	0	113.4	F207 L208 E254 I255 V256 Y261 L262 I287	F207-A258 HydrophobicContact CB-CB 4.14Å; L208-A258 HydrophobicContact CD2-CB 3.86Å; L208-A258 HydrophobicContact CG-CB 4.32Å; E254-A258 PolarHBondContact O-N 2.73Å; I255-A258 PolarHBondContact O-N 2.94Å; V256-A258 PolarHBondContact O-N 3.08Å; A258-Y261 WeakPolarHBondContact O-CB 3.42Å; A258-Y261 PolarHBondContact O-N 3.01Å; A258-L262 PolarHBondContact O-N 3.28Å; A258-L262 VanDerWaalsContact O-N 3.09Å; A258-I287 HydrophobicContact CB-CD1 3.64Å; A258-I287 HydrophobicContact CB-CG1 4.46Å
259	L	96.8	Very high	93.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-66.6	-41.5	177.7	-70.9	178.8	0	0	0	111.7	I255 V256 Y261 L262 H263 L272 D328 W329	I255-L259 HydrophobicContact CG2-CD1 4Å; I255-L259 HydrophobicContact CG2-CG 4.27Å; I255-L259 WeakPolarHBondContact O-CG 3.44Å; I255-L259 PolarHBondContact O-N 2.99Å; V256-L259 PolarHBondContact O-N 3.21Å; L259-Y261 VanDerWaalsContact C-N 3.25Å; L259-Y261 PolarHBondContact O-N 2.76Å; L259-L262 HydrophobicContact CD2-CD1 4.48Å; L259-L262 PolarHBondContact O-N 2.76Å; L259-L262 VanDerWaalsContact O-N 3.11Å; L259-H263 WeakPolarHBondContact O-CB 3.23Å; L259-H263 PolarHBondContact O-CD2 3.43Å; L259-H263 VanDerWaalsContact O-CG 3.29Å; L259-H263 PolarHBondContact O-N 3.32Å; L259-L272 HydrophobicContact CD1-CD2 4.07Å; L259-D328 HydrophobicContact CD1-CB 3.99Å; L259-D328 HydrophobicContact CD2-CB 4.03Å; L259-W329 HydrophobicContact CB-CH2 3.66Å; L259-W329 HydrophobicContact CB-CZ3 3.77Å; L259-W329 HydrophobicContact CD1-CE3 3.87Å; L259-W329 HydrophobicContact CD1-CH2 4.22Å; L259-W329 HydrophobicContact CD1-CZ3 3.49Å; L259-W329 VanDerWaalsContact CD1-CZ3 3.49Å; L259-W329 HydrophobicContact CG-CZ3 4.31Å
260	N	96.9	Very high	92.5	Very high	57 Å²	57	17.9 Å²	17.9	31%	0.305	10%	0.1	S	C	.	.	H	α-helix	trans	-55.9	-42.6	173.9	-179.8	50.9	0	0	0	111.4	V256 S264 A396	V256-N260 VanDerWaalsContact O-CB 3.26Å; V256-N260 WeakPolarHBondContact O-CB 3.5Å; V256-N260 PolarHBondContact O-N 3.22Å; N260-S264 WeakPolarHBondContact O-CB 3.46Å; N260-S264 PolarHBondContact O-N 2.91Å; N260-A396 HydrophobicContact CB-CB 3.54Å; N260-A396 WeakPolarHBondContact OD1-CB 3.46Å
261	Y	95.3	Very high	91.9	Very high	56 Å²	56	17.7 Å²	17.7	22%	0.22	10%	0.099	C	C	.	.	H	α-helix	trans	-60.9	-49.3	174.6	172.1	-95.1	0	0	0	111.9	T203 R204 H205 L208 S257 A258 L259 H263 S264 A265	T203-Y261 WeakPolarHBondContact CA-OH 3.3Å; T203-Y261 HydrophobicContact CG2-CE1 4.08Å; R204-Y261 PolarHBondContact N-OH 3.32Å; R204-Y261 PolarHBondContact O-OH 2.84Å; H205-Y261 HydrophobicContact CB-CD1 3.82Å; H205-Y261 HydrophobicContact CB-CE1 4.11Å; H205-Y261 HydrophobicContact CB-CG 4.1Å; H205-Y261 WeakPolarHBondContact CD2-CB 3.01Å; H205-Y261 AromaticContact CD2-CD2 3.93Å; H205-Y261 AromaticContact CD2-CG 3.54Å; L208-Y261 HydrophobicContact CD1-CD1 3.81Å; L208-Y261 HydrophobicContact CD1-CE1 4.07Å; S257-Y261 PolarHBondContact O-N 3.28Å; S257-Y261 VanDerWaalsContact O-N 3.17Å; A258-Y261 WeakPolarHBondContact O-CB 3.42Å; A258-Y261 PolarHBondContact O-N 3.01Å; L259-Y261 VanDerWaalsContact C-N 3.25Å; L259-Y261 PolarHBondContact O-N 2.76Å; Y261-H263 PolarHBondContact O-N 3.27Å; Y261-S264 PolarHBondContact O-N 2.96Å; Y261-S264 PolarHBondContact O-OG 3.35Å; Y261-A265 PolarHBondContact O-N 3.43Å; Y261-A265 VanDerWaalsContact O-N 3.09Å
262	L	88.6	Confident	91.6	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.6	-46.7	178.2	-69.7	177.5	0	0	0	112	T203 L208 A258 L259 S264 A265 K266 I267 Y269	T203-L262 HydrophobicContact CG2-CD2 3.74Å; L208-L262 HydrophobicContact CD1-CD1 4.42Å; L208-L262 HydrophobicContact CD1-CD2 3.69Å; L208-L262 HydrophobicContact CD1-CG 3.98Å; L208-L262 HydrophobicContact CD2-CD1 4.27Å; A258-L262 PolarHBondContact O-N 3.28Å; A258-L262 VanDerWaalsContact O-N 3.09Å; L259-L262 HydrophobicContact CD2-CD1 4.48Å; L259-L262 PolarHBondContact O-N 2.76Å; L259-L262 VanDerWaalsContact O-N 3.11Å; L262-S264 VanDerWaalsContact C-N 3.31Å; L262-S264 PolarHBondContact O-N 2.71Å; L262-A265 CarbonylContact O-C 3.59Å; L262-A265 WeakPolarHBondContact O-CA 3.47Å; L262-A265 WeakPolarHBondContact O-CB 3.42Å; L262-A265 PolarHBondContact O-N 3.14Å; L262-K266 PolarHBondContact O-N 3Å; L262-K266 VanDerWaalsContact O-N 3.15Å; L262-I267 CarbonylContact C-O 3.54Å; L262-I267 HydrophobicContact CB-CB 4.27Å; L262-I267 HydrophobicContact CD2-CB 4.35Å; L262-I267 HydrophobicContact CD2-CD1 4.41Å; L262-I267 HydrophobicContact CD2-CG2 4.21Å; L262-I267 PolarHBondContact O-N 2.71Å; L262-I267 VanDerWaalsContact O-O 3.14Å; L262-Y269 HydrophobicContact CD1-CD2 4.36Å
263	H	89.2	Confident	91.3	Very high	10 Å²	10	19.3 Å²	19.3	5%	0.046	11%	0.107	C	C	.	.	H	α-helix	trans	-63.1	-37.7	178.7	-68.5	-175.4	0	0	0	111.8	L259 Y261 A265 K266 I267 D328 W329 D395	L259-H263 WeakPolarHBondContact O-CB 3.23Å; L259-H263 PolarHBondContact O-CD2 3.43Å; L259-H263 VanDerWaalsContact O-CG 3.29Å; L259-H263 PolarHBondContact O-N 3.32Å; Y261-H263 PolarHBondContact O-N 3.27Å; H263-A265 PolarHBondContact O-N 2.9Å; H263-K266 WeakPolarHBondContact O-CA 3.43Å; H263-K266 PolarHBondContact O-N 3.09Å; H263-I267 PolarHBondContact CD2-O 3.46Å; H263-I267 PolarHBondContact N-O 3.47Å; H263-D328 IonicContact CD2-OD2 2.67Å; H263-D328 IonicContact NE2-OD2 3.54Å; H263-D328 PolarHBondContact NE2-OD2 3.39Å; H263-W329 AromaticContact CE1-CE2 3.58Å; H263-W329 AromaticContact CE1-CZ2 3.44Å; H263-W329 VanDerWaalsContact CE1-CZ2 3.44Å; H263-W329 WeakPolarHBondContact CE1-CZ2 3.44Å; H263-W329 AromaticContact CE1-NE1 3.8Å; H263-W329 AromaticContact ND1-CE2 3.87Å; H263-W329 AromaticContact ND1-CZ2 3.41Å; H263-W329 WeakPolarHBondContact ND1-CZ2 3.35Å; H263-D395 WeakPolarHBondContact CB-OD2 3.37Å; H263-D395 IonicContact CE1-OD1 3.78Å; H263-D395 IonicContact CE1-OD2 3.34Å; H263-D395 IonicContact CG-OD2 3.41Å; H263-D395 IonicContact ND1-OD1 3.79Å; H263-D395 PolarHBondContact ND1-OD1 3.03Å; H263-D395 IonicContact ND1-OD2 2.67Å; H263-D395 PolarHBondContact ND1-OD2 2.87Å
264	S	88	Confident	91	Very high	80 Å²	80	19.3 Å²	19.3	56%	0.559	11%	0.107	S	C	*	.	H	α-helix	trans	-63.9	-31.9	173.8	80.1	0	0	0	0	112.4	N260 Y261 L262 K266	N260-S264 WeakPolarHBondContact O-CB 3.46Å; N260-S264 PolarHBondContact O-N 2.91Å; Y261-S264 PolarHBondContact O-N 2.96Å; Y261-S264 PolarHBondContact O-OG 3.35Å; L262-S264 VanDerWaalsContact C-N 3.31Å; L262-S264 PolarHBondContact O-N 2.71Å; S264-K266 PolarHBondContact O-N 3.32Å
265	A	83.2	Confident	90.6	Very high	49 Å²	49	22.2 Å²	22.2	41%	0.405	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	7.2	171.8	0	0	0	0	0	113.4	Y261 L262 H263 I267	Y261-A265 PolarHBondContact O-N 3.43Å; Y261-A265 VanDerWaalsContact O-N 3.09Å; L262-A265 CarbonylContact O-C 3.59Å; L262-A265 WeakPolarHBondContact O-CA 3.47Å; L262-A265 WeakPolarHBondContact O-CB 3.42Å; L262-A265 PolarHBondContact O-N 3.14Å; H263-A265 PolarHBondContact O-N 2.9Å; A265-I267 VanDerWaalsContact C-N 3.28Å; A265-I267 HydrophobicContact CB-CD1 4.11Å; A265-I267 HydrophobicContact CB-CG1 4.3Å; A265-I267 PolarHBondContact O-N 2.96Å
266	K	80.5	Confident	90.3	Very high	65 Å²	65	22.7 Å²	22.7	28%	0.283	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	36.9	-179	-52.5	-55.1	-172	178.6	0	112.6	L262 H263 S264 E295 G296 I297 D299	L262-K266 PolarHBondContact O-N 3Å; L262-K266 VanDerWaalsContact O-N 3.15Å; H263-K266 WeakPolarHBondContact O-CA 3.43Å; H263-K266 PolarHBondContact O-N 3.09Å; S264-K266 PolarHBondContact O-N 3.32Å; K266-E295 CarbonylContact O-C 3.57Å; K266-G296 PolarHBondContact O-N 3.19Å; K266-I297 WeakPolarHBondContact CB-O 3.41Å; K266-I297 WeakPolarHBondContact CD-O 3.45Å; K266-I297 PolarHBondContact O-N 3.07Å; K266-I297 VanDerWaalsContact O-N 3.09Å; K266-D299 VanDerWaalsContact NZ-CG 3.31Å; K266-D299 IonicContact NZ-OD1 3.04Å; K266-D299 PolarHBondContact NZ-OD1 2.95Å; K266-D299 IonicContact NZ-OD2 2.93Å; K266-D299 PolarHBondContact NZ-OD2 3.46Å
267	I	80.7	Confident	90.2	Very high	6 Å²	6	22.7 Å²	22.7	3%	0.031	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.6	176.7	-57.4	172	0	0	0	108.7	V199 T203 L262 H263 A265 C293 K294 E295	V199-I267 HydrophobicContact CG1-CD1 4.3Å; V199-I267 HydrophobicContact CG1-CG2 4.47Å; V199-I267 HydrophobicContact CG2-CD1 4.32Å; V199-I267 HydrophobicContact CG2-CG2 4.33Å; T203-I267 HydrophobicContact CG2-CD1 3.88Å; L262-I267 CarbonylContact C-O 3.54Å; L262-I267 HydrophobicContact CB-CB 4.27Å; L262-I267 HydrophobicContact CD2-CB 4.35Å; L262-I267 HydrophobicContact CD2-CD1 4.41Å; L262-I267 HydrophobicContact CD2-CG2 4.21Å; L262-I267 PolarHBondContact O-N 2.71Å; L262-I267 VanDerWaalsContact O-O 3.14Å; H263-I267 PolarHBondContact CD2-O 3.46Å; H263-I267 PolarHBondContact N-O 3.47Å; A265-I267 VanDerWaalsContact C-N 3.28Å; A265-I267 HydrophobicContact CB-CD1 4.11Å; A265-I267 HydrophobicContact CB-CG1 4.3Å; A265-I267 PolarHBondContact O-N 2.96Å; I267-C293 HydrophobicContact CG2-CB 4.08Å; I267-K294 WeakPolarHBondContact CA-O 3.32Å; I267-E295 HydrophobicContact CG1-CG 4.22Å
268	V	83.7	Confident	90	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.012	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	134.7	170.5	-173.9	0	0	0	0	108.5	R270 C293 K294 I297 M303 R325 V327 D328	V268-R270 HydrophobicContact CB-CG 4.27Å; V268-R270 HydrophobicContact CG1-CG 3.71Å; V268-C293 CarbonylContact O-C 3.48Å; V268-C293 VanDerWaalsContact O-CA 3.31Å; V268-C293 WeakPolarHBondContact O-CA 3.11Å; V268-K294 PolarHBondContact N-O 2.88Å; V268-K294 PolarHBondContact O-N 3.33Å; V268-I297 HydrophobicContact CG2-CB 3.99Å; V268-I297 HydrophobicContact CG2-CG1 4Å; V268-I297 HydrophobicContact CG2-CG2 3.9Å; V268-M303 HydrophobicContact CB-CE 3.72Å; V268-M303 HydrophobicContact CG1-CE 3.81Å; V268-M303 HydrophobicContact CG2-CE 3.77Å; V268-R325 HydrophobicContact CG2-CB 4.27Å; V268-V327 HydrophobicContact CG1-CG2 3.65Å; V268-D328 VanDerWaalsContact CG1-OD2 3.31Å; V268-D328 WeakPolarHBondContact CG1-OD2 3.4Å
269	Y	86.9	Confident	89.9	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.125	C	C	.	.			trans	-80.1	-47	-171	-179.6	-113.1	0	0	0	113.3	L262 D271 L272 N276 I287 T288 D289 F290 D328	L262-Y269 HydrophobicContact CD1-CD2 4.36Å; Y269-D271 VanDerWaalsContact C-N 3.26Å; Y269-D271 HydrophobicContact CE1-CB 4.47Å; Y269-D271 VanDerWaalsContact CE1-O 3.25Å; Y269-D271 WeakPolarHBondContact CE1-O 3.12Å; Y269-D271 PolarHBondContact O-N 3Å; Y269-D271 VanDerWaalsContact O-N 3.15Å; Y269-L272 HydrophobicContact CD1-CB 4.04Å; Y269-L272 HydrophobicContact CD1-CD1 4.44Å; Y269-L272 HydrophobicContact CE1-CB 4.2Å; Y269-L272 HydrophobicContact CE1-CD1 4.25Å; Y269-N276 VanDerWaalsContact OH-CB 3.3Å; Y269-N276 WeakPolarHBondContact OH-CB 3.43Å; Y269-N276 PolarHBondContact OH-ND2 3.41Å; Y269-I287 HydrophobicContact CD2-CG2 4.28Å; Y269-I287 HydrophobicContact CE1-CG2 3.86Å; Y269-I287 HydrophobicContact CE2-CG2 3.63Å; Y269-I287 VanDerWaalsContact CZ-CG2 3.4Å; Y269-T288 PolarHBondContact OH-O 2.86Å; Y269-D289 WeakPolarHBondContact CE2-O 3.34Å; Y269-D289 PolarHBondContact OH-O 2.96Å; Y269-F290 HydrophobicContact CD2-CD1 4.12Å; Y269-F290 HydrophobicContact CD2-CE1 4.35Å; Y269-F290 HydrophobicContact CE2-CD1 4.06Å; Y269-F290 HydrophobicContact CE2-CE1 4.27Å; Y269-D328 WeakPolarHBondContact CB-OD2 3.32Å; Y269-D328 PolarHBondContact N-OD2 3.49Å
270	R	84.6	Confident	89.8	Confident	24 Å²	24	23.8 Å²	23.8	9%	0.091	13%	0.128	C	C	.	.			trans	68.7	-10.6	172	-53.4	-168.6	-66.6	169.3	2.6	118.8	V268 L292 M303 C307 Y323 V327 D328	V268-R270 HydrophobicContact CB-CG 4.27Å; V268-R270 HydrophobicContact CG1-CG 3.71Å; R270-L292 PolarHBondContact NE-O 3.23Å; R270-L292 PolarHBondContact NH2-O 2.93Å; R270-M303 WeakPolarHBondContact CD-SD 3.1Å; R270-M303 HydrophobicContact CG-CE 4.41Å; R270-C307 VanDerWaalsContact CZ-SG 3.54Å; R270-Y323 HydrophobicContact CG-CE2 4.47Å; R270-Y323 PolarHBondContact NH1-OH 3.27Å; R270-V327 HydrophobicContact CG-CG2 4.24Å; R270-D328 WeakPolarHBondContact CA-OD1 3.37Å; R270-D328 PolarHBondContact N-OD1 2.96Å
271	D	86.6	Confident	89.5	Confident	10 Å²	10	26 Å²	26	5%	0.053	13%	0.134	C	C	.	.			trans	-124.7	43.4	-179.7	-160.7	33.6	0	0	0	111.8	Y269 K273 N276 L292	Y269-D271 VanDerWaalsContact C-N 3.26Å; Y269-D271 HydrophobicContact CE1-CB 4.47Å; Y269-D271 VanDerWaalsContact CE1-O 3.25Å; Y269-D271 WeakPolarHBondContact CE1-O 3.12Å; Y269-D271 PolarHBondContact O-N 3Å; Y269-D271 VanDerWaalsContact O-N 3.15Å; D271-K273 PolarHBondContact O-N 3.32Å; D271-K273 IonicContact OD1-NZ 3.52Å; D271-K273 PolarHBondContact OD1-NZ 3.42Å; D271-K273 VanDerWaalsContact OD1-NZ 3.14Å; D271-K273 IonicContact OD2-NZ 2.73Å; D271-K273 PolarHBondContact OD2-NZ 2.89Å; D271-N276 VanDerWaalsContact CG-ND2 3.3Å; D271-N276 PolarHBondContact O-ND2 3.33Å; D271-N276 PolarHBondContact OD2-ND2 3.32Å; D271-L292 HydrophobicContact CB-CB 4.18Å; D271-L292 HydrophobicContact CB-CD1 3.87Å; D271-L292 HydrophobicContact CB-CG 4.48Å
272	L	93.1	Very high	89.5	Confident	6 Å²	6	25.9 Å²	25.9	3%	0.031	14%	0.137	C	C	.	.			trans	-74.9	109.7	178	-168.9	64.2	0	0	0	110.8	I255 L259 Y269 L277 Y312 L332 V335	I255-L272 HydrophobicContact CG2-CD1 4.1Å; I255-L272 HydrophobicContact CG2-CD2 3.89Å; L259-L272 HydrophobicContact CD1-CD2 4.07Å; Y269-L272 HydrophobicContact CD1-CB 4.04Å; Y269-L272 HydrophobicContact CD1-CD1 4.44Å; Y269-L272 HydrophobicContact CE1-CB 4.2Å; Y269-L272 HydrophobicContact CE1-CD1 4.25Å; L272-L277 HydrophobicContact CD1-CD1 4.33Å; L272-L277 HydrophobicContact CD1-CD2 3.98Å; L272-L277 HydrophobicContact CD1-CG 4.33Å; L272-Y312 WeakPolarHBondContact O-CD1 3.19Å; L272-L332 HydrophobicContact CD2-CB 4.04Å; L272-V335 HydrophobicContact CG-CG2 4.19Å
273	K	92.6	Very high	89.8	Confident	28 Å²	28	25.9 Å²	25.9	12%	0.122	14%	0.137	C	C	.	.	S	Bend	trans	-152.4	165.5	179.8	64.9	-171.4	-178.2	-146.7	0	110.7	D271 E275 N276 L277 T309 Y312	D271-K273 PolarHBondContact O-N 3.32Å; D271-K273 IonicContact OD1-NZ 3.52Å; D271-K273 PolarHBondContact OD1-NZ 3.42Å; D271-K273 VanDerWaalsContact OD1-NZ 3.14Å; D271-K273 IonicContact OD2-NZ 2.73Å; D271-K273 PolarHBondContact OD2-NZ 2.89Å; K273-E275 VanDerWaalsContact C-N 3.25Å; K273-E275 WeakPolarHBondContact CB-OE2 3.39Å; K273-E275 HydrophobicContact CG-CB 4.34Å; K273-E275 VanDerWaalsContact CG-OE2 3.24Å; K273-E275 WeakPolarHBondContact CG-OE2 3.34Å; K273-E275 PolarHBondContact O-N 3.41Å; K273-N276 WeakPolarHBondContact CE-ND2 3.07Å; K273-N276 WeakPolarHBondContact CE-OD1 3.29Å; K273-N276 HydrophobicContact CG-CB 4.12Å; K273-N276 PolarHBondContact O-N 3.2Å; K273-L277 WeakPolarHBondContact O-CG 3.25Å; K273-T309 VanDerWaalsContact CD-OG1 3.28Å; K273-T309 WeakPolarHBondContact CD-OG1 3.45Å; K273-T309 PolarHBondContact NZ-OG1 2.77Å; K273-T309 VanDerWaalsContact NZ-OG1 3.11Å; K273-Y312 HydrophobicContact CB-CD1 3.77Å; K273-Y312 HydrophobicContact CB-CD2 3.91Å; K273-Y312 HydrophobicContact CB-CE1 3.77Å; K273-Y312 HydrophobicContact CB-CE2 3.86Å; K273-Y312 HydrophobicContact CB-CG 3.86Å
274	L	92.6	Very high	90.2	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-66.1	-27	-174.1	-71.3	-177.8	0	0	0	113.8	L233 F234 L237 L277 V335 E338 M339	L233-L274 HydrophobicContact CD2-CD2 4.09Å; L233-L274 HydrophobicContact CG-CD2 4.42Å; F234-L274 HydrophobicContact CB-CB 3.86Å; F234-L274 HydrophobicContact CD2-CB 4.34Å; F234-L274 HydrophobicContact CD2-CD1 4.43Å; F234-L274 PolarHBondContact N-O 3.47Å; L237-L274 HydrophobicContact CD2-CD1 3.4Å; L274-L277 PolarHBondContact O-N 2.9Å; L274-V335 HydrophobicContact CD2-CG1 3.95Å; L274-E338 HydrophobicContact CD1-CB 4.31Å; L274-E338 HydrophobicContact CD1-CG 3.77Å; L274-E338 WeakPolarHBondContact CD1-OE2 3.26Å; L274-M339 HydrophobicContact CD2-CE 4.1Å; L274-M339 HydrophobicContact CD2-CG 4.21Å
275	E	89.3	Confident	90.7	Very high	62 Å²	62	22.1 Å²	22.1	29%	0.29	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	-71.9	-30.9	179.1	-56.2	94.3	139.6	0	0	111.7	F234 K273 L277	F234-E275 HydrophobicContact CB-CG 4.37Å; F234-E275 HydrophobicContact CG-CG 4.42Å; K273-E275 VanDerWaalsContact C-N 3.25Å; K273-E275 WeakPolarHBondContact CB-OE2 3.39Å; K273-E275 HydrophobicContact CG-CB 4.34Å; K273-E275 VanDerWaalsContact CG-OE2 3.24Å; K273-E275 WeakPolarHBondContact CG-OE2 3.34Å; K273-E275 PolarHBondContact O-N 3.41Å; E275-L277 VanDerWaalsContact C-N 3.3Å
276	N	91.9	Very high	91.4	Very high	11 Å²	11	20.4 Å²	20.4	6%	0.059	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-86.8	-2.4	178.1	-72.1	-3.9	0	0	0	113.1	Y269 D271 K273 T288	Y269-N276 VanDerWaalsContact OH-CB 3.3Å; Y269-N276 WeakPolarHBondContact OH-CB 3.43Å; Y269-N276 PolarHBondContact OH-ND2 3.41Å; D271-N276 VanDerWaalsContact CG-ND2 3.3Å; D271-N276 PolarHBondContact O-ND2 3.33Å; D271-N276 PolarHBondContact OD2-ND2 3.32Å; K273-N276 WeakPolarHBondContact CE-ND2 3.07Å; K273-N276 WeakPolarHBondContact CE-OD1 3.29Å; K273-N276 HydrophobicContact CG-CB 4.12Å; K273-N276 PolarHBondContact O-N 3.2Å; N276-T288 PolarHBondContact O-N 2.65Å; N276-T288 PolarHBondContact O-OG1 3.43Å
277	L	96.3	Very high	92.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	115.8	176.4	-64.8	173.2	0	0	0	109.3	L233 I255 L272 K273 L274 E275 I285 I287 V335 M339	L233-L277 HydrophobicContact CB-CB 3.98Å; L233-L277 WeakPolarHBondContact CB-O 3.42Å; L233-L277 HydrophobicContact CD2-CB 4.17Å; L233-L277 HydrophobicContact CD2-CD1 4.16Å; L233-L277 PolarHBondContact N-O 3.45Å; I255-L277 HydrophobicContact CD1-CD1 3.67Å; I255-L277 HydrophobicContact CD1-CD2 4.12Å; I255-L277 HydrophobicContact CG1-CD1 4.48Å; I255-L277 HydrophobicContact CG1-CD2 4.02Å; L272-L277 HydrophobicContact CD1-CD1 4.33Å; L272-L277 HydrophobicContact CD1-CD2 3.98Å; L272-L277 HydrophobicContact CD1-CG 4.33Å; K273-L277 WeakPolarHBondContact O-CG 3.25Å; L274-L277 PolarHBondContact O-N 2.9Å; E275-L277 VanDerWaalsContact C-N 3.3Å; L277-I285 HydrophobicContact CD2-CG2 3.98Å; L277-I287 HydrophobicContact CD2-CG1 3.82Å; L277-V335 HydrophobicContact CD1-CG1 3.69Å; L277-V335 HydrophobicContact CD1-CG2 4.4Å; L277-M339 HydrophobicContact CD1-CE 4.42Å
278	M	95.3	Very high	92.4	Very high	22 Å²	22	18.1 Å²	18.1	11%	0.108	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	161.3	175.8	-61.9	-170.1	78.3	0	0	111	V228 G231 E232 I285 K286 T288 F435	V228-M278 HydrophobicContact CB-CB 4.4Å; V228-M278 HydrophobicContact CB-CE 4.5Å; V228-M278 HydrophobicContact CB-SD 4.28Å; V228-M278 HydrophobicContact CG1-CB 3.61Å; V228-M278 HydrophobicContact CG1-SD 4.43Å; V228-M278 WeakPolarHBondContact O-CE 3.42Å; G231-M278 CarbonylContact O-C 3.59Å; G231-M278 WeakPolarHBondContact O-CA 3.21Å; E232-M278 HydrophobicContact CG-CE 4.43Å; E232-M278 HydrophobicContact CG-CG 4.27Å; M278-I285 CarbonylContact O-C 3.51Å; M278-I285 WeakPolarHBondContact O-CA 3.43Å; M278-K286 PolarHBondContact N-O 2.93Å; M278-K286 PolarHBondContact O-N 3.44Å; M278-T288 HydrophobicContact CB-CG2 4.35Å; M278-T288 HydrophobicContact CG-CG2 3.87Å; M278-T288 HydrophobicContact SD-CG2 3.73Å; M278-F435 HydrophobicContact CE-CE1 4.27Å; M278-F435 HydrophobicContact CE-CZ 4.22Å
279	L	96.2	Very high	92.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	136.8	169.5	-62.2	-178	0	0	0	110.8	V228 G230 G231 L233 Y251 H284 I285 F422 P424	V228-L279 WeakPolarHBondContact CG1-O 3.37Å; G230-L279 CarbonylContact C-O 3.59Å; G230-L279 WeakPolarHBondContact CA-O 3.43Å; G230-L279 PolarHBondContact N-O 2.62Å; G231-L279 PolarHBondContact O-N 3.34Å; L233-L279 HydrophobicContact CD1-CD1 4.19Å; L233-L279 HydrophobicContact CD1-CD2 4.02Å; L233-L279 HydrophobicContact CD1-CG 4.1Å; Y251-L279 HydrophobicContact CD1-CD2 4.31Å; Y251-L279 HydrophobicContact CE1-CD2 3.69Å; L279-H284 CarbonylContact C-O 3.27Å; L279-H284 WeakPolarHBondContact CA-O 3.43Å; L279-I285 HydrophobicContact CD2-CD1 3.9Å; L279-I285 HydrophobicContact CD2-CG1 4.49Å; L279-F422 HydrophobicContact CD1-CD1 3.7Å; L279-F422 HydrophobicContact CD1-CE1 3.91Å; L279-P424 HydrophobicContact CB-CG 4.03Å; L279-P424 HydrophobicContact CD1-CG 4.27Å
280	D	93.8	Very high	91.5	Very high	12 Å²	12	21.2 Å²	21.2	6%	0.064	10%	0.103	C	C	.	.			trans	-73.6	175.2	166.2	76.7	11.9	0	0	0	111.7	D282 G283 H284 K286 K416 P424	D280-D282 PolarHBondContact O-N 2.91Å; D280-D282 VanDerWaalsContact O-N 3.1Å; D280-D282 WeakPolarHBondContact OD1-CA 3.3Å; D280-D282 PolarHBondContact OD1-N 3.14Å; D280-G283 PolarHBondContact O-N 2.96Å; D280-G283 VanDerWaalsContact O-N 3.12Å; D280-G283 PolarHBondContact OD1-N 3.41Å; D280-H284 PolarHBondContact N-O 3.21Å; D280-H284 IonicContact OD1-CD2 3.79Å; D280-H284 PolarHBondContact OD1-N 3.46Å; D280-H284 IonicContact OD2-CD2 3.8Å; D280-K286 HydrophobicContact CB-CG 4.24Å; D280-K416 IonicContact OD2-NZ 3.66Å; D280-K416 PolarHBondContact OD2-NZ 3.2Å; D280-P424 WeakPolarHBondContact O-CG 3.07Å
281	K	91.7	Very high	90.4	Very high	103 Å²	103	20.6 Å²	20.6	45%	0.448	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-22	-179.9	66.2	175.4	-178.9	60.1	0	114.3	V426	K281-V426 HydrophobicContact CB-CG2 3.92Å
282	D	93.9	Very high	89.4	Confident	53 Å²	53	21.7 Å²	21.7	28%	0.283	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-16.8	-177.2	-61.4	-48	0	0	0	111.5	D280 P420	D280-D282 PolarHBondContact O-N 2.91Å; D280-D282 VanDerWaalsContact O-N 3.1Å; D280-D282 WeakPolarHBondContact OD1-CA 3.3Å; D280-D282 PolarHBondContact OD1-N 3.14Å; D282-P420 WeakPolarHBondContact O-CG 3.21Å
283	G	96.1	Very high	88.4	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	107	12.8	175.9	0	0	0	0	0	114.6	D280 F422	D280-G283 PolarHBondContact O-N 2.96Å; D280-G283 VanDerWaalsContact O-N 3.12Å; D280-G283 PolarHBondContact OD1-N 3.41Å; G283-F422 WeakPolarHBondContact CA-O 3.48Å
284	H	98.1	Very high	87.3	Confident	12 Å²	12	24.2 Å²	24.2	6%	0.056	12%	0.12	C	C	.	.			trans	-89.1	152.3	176.4	-62.5	-89.3	0	0	0	111.8	F207 F250 E254 L279 D280 K416 L418 P420	F207-H284 HydrophobicContact CD1-CB 4.34Å; F207-H284 HydrophobicContact CE1-CB 4.05Å; F250-H284 AromaticContact CZ-ND1 3.71Å; E254-H284 IonicContact OE1-CE1 2.63Å; E254-H284 IonicContact OE1-CG 3.94Å; E254-H284 IonicContact OE1-ND1 3.91Å; E254-H284 PolarHBondContact OE1-ND1 3.43Å; L279-H284 CarbonylContact C-O 3.27Å; L279-H284 WeakPolarHBondContact CA-O 3.43Å; D280-H284 PolarHBondContact N-O 3.21Å; D280-H284 IonicContact OD1-CD2 3.79Å; D280-H284 PolarHBondContact OD1-N 3.46Å; D280-H284 IonicContact OD2-CD2 3.8Å; H284-K416 WeakPolarHBondContact CD2-CE 3.17Å; H284-L418 PolarHBondContact CE1-O 3.19Å; H284-P420 WeakPolarHBondContact NE2-CG 3.43Å
285	I	98.1	Very high	86	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	140.4	178	-68.3	-71.8	0	0	0	111.4	F207 L233 Y251 E254 I255 L277 M278 L279 I287	F207-I285 VanDerWaalsContact CA-O 3.3Å; F207-I285 WeakPolarHBondContact CA-O 3.45Å; F207-I285 WeakPolarHBondContact CB-O 3.44Å; F207-I285 WeakPolarHBondContact CD1-O 3.46Å; L233-I285 HydrophobicContact CD1-CD1 4.48Å; L233-I285 HydrophobicContact CD2-CD1 3.93Å; Y251-I285 HydrophobicContact CD1-CD1 3.79Å; Y251-I285 HydrophobicContact CD1-CG1 3.7Å; Y251-I285 HydrophobicContact CG-CD1 3.99Å; Y251-I285 HydrophobicContact CG-CG1 4.16Å; E254-I285 HydrophobicContact CB-CB 4.04Å; E254-I285 HydrophobicContact CB-CG1 4.22Å; E254-I285 WeakPolarHBondContact OE2-CB 3.17Å; E254-I285 VanDerWaalsContact OE2-CG1 3.31Å; E254-I285 WeakPolarHBondContact OE2-CG1 3.44Å; E254-I285 PolarHBondContact OE2-N 3.17Å; I255-I285 HydrophobicContact CG1-CG2 4.05Å; L277-I285 HydrophobicContact CD2-CG2 3.98Å; M278-I285 CarbonylContact O-C 3.51Å; M278-I285 WeakPolarHBondContact O-CA 3.43Å; L279-I285 HydrophobicContact CD2-CD1 3.9Å; L279-I285 HydrophobicContact CD2-CG1 4.49Å; I285-I287 HydrophobicContact CG2-CG1 4.17Å
286	K	96.6	Very high	84.5	Confident	12 Å²	12	26.6 Å²	26.6	5%	0.052	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	112.4	164.9	-72.1	-74.9	176.3	163.7	0	108.3	P206 F207 E226 V228 M278 D280	P206-K286 WeakPolarHBondContact O-CE 3.42Å; P206-K286 PolarHBondContact O-NZ 3Å; F207-K286 CarbonylContact O-C 3.17Å; F207-K286 WeakPolarHBondContact O-CA 3.37Å; E226-K286 VanDerWaalsContact CD-NZ 3.28Å; E226-K286 VanDerWaalsContact OE1-CE 3.26Å; E226-K286 WeakPolarHBondContact OE1-CE 3.36Å; E226-K286 IonicContact OE1-NZ 2.76Å; E226-K286 PolarHBondContact OE1-NZ 2.84Å; E226-K286 IonicContact OE2-NZ 2.72Å; E226-K286 PolarHBondContact OE2-NZ 3.03Å; V228-K286 HydrophobicContact CG1-CB 3.97Å; V228-K286 HydrophobicContact CG1-CG 4.05Å; V228-K286 HydrophobicContact CG2-CB 3.94Å; V228-K286 HydrophobicContact CG2-CD 4.43Å; V228-K286 HydrophobicContact CG2-CG 3.87Å; M278-K286 PolarHBondContact N-O 2.93Å; M278-K286 PolarHBondContact O-N 3.44Å; D280-K286 HydrophobicContact CB-CG 4.24Å
287	I	95.1	Very high	83	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	129.9	169.2	-51.3	-174.7	0	0	0	107.8	F207 L208 T209 A258 Y269 L277 I285	F207-I287 PolarHBondContact O-N 2.78Å; L208-I287 HydrophobicContact CD2-CB 3.79Å; L208-I287 HydrophobicContact CD2-CD1 3.97Å; L208-I287 HydrophobicContact CD2-CG1 4.15Å; L208-I287 HydrophobicContact CD2-CG2 4.42Å; T209-I287 WeakPolarHBondContact CB-O 3.38Å; T209-I287 PolarHBondContact N-O 2.9Å; T209-I287 PolarHBondContact OG1-O 3.19Å; A258-I287 HydrophobicContact CB-CD1 3.64Å; A258-I287 HydrophobicContact CB-CG1 4.46Å; Y269-I287 HydrophobicContact CD2-CG2 4.28Å; Y269-I287 HydrophobicContact CE1-CG2 3.86Å; Y269-I287 HydrophobicContact CE2-CG2 3.63Å; Y269-I287 VanDerWaalsContact CZ-CG2 3.4Å; L277-I287 HydrophobicContact CD2-CG1 3.82Å; I285-I287 HydrophobicContact CG2-CG1 4.17Å
288	T	88.4	Confident	81.2	Confident	23 Å²	23	30.6 Å²	30.6	14%	0.141	17%	0.171	C	C	.	.			trans	-116.6	178	-177.9	61.7	0	0	0	0	110.7	T209 Y269 N276 M278	T209-T288 VanDerWaalsContact OG1-CG2 3.31Å; T209-T288 WeakPolarHBondContact OG1-CG2 2.98Å; Y269-T288 PolarHBondContact OH-O 2.86Å; N276-T288 PolarHBondContact O-N 2.65Å; N276-T288 PolarHBondContact O-OG1 3.43Å; M278-T288 HydrophobicContact CB-CG2 4.35Å; M278-T288 HydrophobicContact CG-CG2 3.87Å; M278-T288 HydrophobicContact SD-CG2 3.73Å
289	D	77.4	Confident	79.1	Confident	66 Å²	66	34.5 Å²	34.5	35%	0.353	19%	0.192	S	C	.	.			trans	49.1	89.4	174.1	-155.9	5.7	0	0	0	116.5	K177 Y269 G291	K177-D289 IonicContact NZ-OD1 3.58Å; K177-D289 PolarHBondContact NZ-OD1 3.47Å; Y269-D289 WeakPolarHBondContact CE2-O 3.34Å; Y269-D289 PolarHBondContact OH-O 2.96Å; D289-G291 VanDerWaalsContact C-N 3.32Å; D289-G291 PolarHBondContact OD1-N 3.34Å
290	F	74.3	Confident	76.6	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.009	22%	0.217	C	C	.	.			trans	-94.8	15.8	-179.9	-59.7	-93.6	0	0	0	112.8	E196 V199 L200 L208 Y269 L292 C293	E196-F290 HydrophobicContact CG-CB 4.29Å; V199-F290 HydrophobicContact CG1-CB 4.14Å; V199-F290 HydrophobicContact CG1-CD1 3.8Å; V199-F290 HydrophobicContact CG1-CG 4.16Å; L200-F290 HydrophobicContact CD2-CD2 3.38Å; L200-F290 HydrophobicContact CD2-CE2 3.59Å; L200-F290 HydrophobicContact CD2-CG 4.24Å; L200-F290 HydrophobicContact CG-CD2 3.93Å; L200-F290 HydrophobicContact CG-CG 4.45Å; L208-F290 HydrophobicContact CB-CZ 4.03Å; L208-F290 HydrophobicContact CD1-CE1 4.44Å; L208-F290 HydrophobicContact CD2-CE1 3.96Å; L208-F290 HydrophobicContact CD2-CZ 3.93Å; L208-F290 HydrophobicContact CG-CZ 4.39Å; Y269-F290 HydrophobicContact CD2-CD1 4.12Å; Y269-F290 HydrophobicContact CD2-CE1 4.35Å; Y269-F290 HydrophobicContact CE2-CD1 4.06Å; Y269-F290 HydrophobicContact CE2-CE1 4.27Å; F290-L292 PolarHBondContact O-N 3.41Å; F290-C293 WeakPolarHBondContact O-CB 3.23Å; F290-C293 PolarHBondContact O-N 3.45Å; F290-C293 VanDerWaalsContact O-N 3.16Å
291	G	60.3	Low	74.4	Confident	10 Å²	10	38.3 Å²	38.3	10%	0.103	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-31.2	-177.2	0	0	0	0	0	114.3	H192 D289	H192-G291 WeakPolarHBondContact CB-O 3.29Å; D289-G291 VanDerWaalsContact C-N 3.32Å; D289-G291 PolarHBondContact OD1-N 3.34Å
292	L	65.5	Low	72.4	Confident	34 Å²	34	35.9 Å²	35.9	18%	0.178	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	7.6	-178.8	-61.9	-176.1	0	0	0	113.6	R270 D271 F290 C307	R270-L292 PolarHBondContact NE-O 3.23Å; R270-L292 PolarHBondContact NH2-O 2.93Å; D271-L292 HydrophobicContact CB-CB 4.18Å; D271-L292 HydrophobicContact CB-CD1 3.87Å; D271-L292 HydrophobicContact CB-CG 4.48Å; F290-L292 PolarHBondContact O-N 3.41Å; L292-C307 HydrophobicContact CD1-CB 4.08Å; L292-C307 HydrophobicContact CD2-CB 3.86Å; L292-C307 HydrophobicContact CG-CB 4.5Å
293	C	73.4	Confident	70.5	Confident	3 Å²	3	33.7 Å²	33.7	2%	0.02	21%	0.207	C	C	.	.			trans	-63	156.5	177.3	-68.8	0	0	0	0	112.8	T195 V199 I267 V268 F290	T195-C293 VanDerWaalsContact CG2-O 3.31Å; T195-C293 WeakPolarHBondContact CG2-O 3.42Å; V199-C293 HydrophobicContact CG2-CB 3.93Å; I267-C293 HydrophobicContact CG2-CB 4.08Å; V268-C293 CarbonylContact O-C 3.48Å; V268-C293 VanDerWaalsContact O-CA 3.31Å; V268-C293 WeakPolarHBondContact O-CA 3.11Å; F290-C293 WeakPolarHBondContact O-CB 3.23Å; F290-C293 PolarHBondContact O-N 3.45Å; F290-C293 VanDerWaalsContact O-N 3.16Å
294	K	69.1	Low	68.3	Low	84 Å²	84	37.7 Å²	37.7	37%	0.365	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	119.6	173.5	-172.6	68.9	175.6	-176.1	0	110.7	I267 V268 I297 M303	I267-K294 WeakPolarHBondContact CA-O 3.32Å; V268-K294 PolarHBondContact N-O 2.88Å; V268-K294 PolarHBondContact O-N 3.33Å; K294-I297 HydrophobicContact CB-CG1 4.4Å; K294-I297 HydrophobicContact CG-CD1 3.78Å; K294-I297 HydrophobicContact CG-CG1 3.91Å; K294-M303 HydrophobicContact CB-CE 4.38Å; K294-M303 HydrophobicContact CB-SD 3.92Å; K294-M303 HydrophobicContact CG-SD 3.86Å
295	E	64.6	Low	66.1	Low	54 Å²	54	40 Å²	40	25%	0.252	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	161.1	176.4	-60.1	173.9	103.7	0	0	111.9	R198 V199 K266 I267	R198-E295 IonicContact CZ-OE2 3.66Å; R198-E295 VanDerWaalsContact CZ-OE2 3.29Å; R198-E295 IonicContact NE-OE2 2.69Å; R198-E295 PolarHBondContact NE-OE2 2.9Å; R198-E295 IonicContact NH2-OE2 3.99Å; R198-E295 PolarHBondContact NH2-OE2 3.47Å; V199-E295 HydrophobicContact CG2-CG 3.77Å; K266-E295 CarbonylContact O-C 3.57Å; I267-E295 HydrophobicContact CG1-CG 4.22Å
296	G	58	Low	64	Low	57 Å²	57	42.5 Å²	42.5	59%	0.588	25%	0.251	S	S	*	.			trans	79.7	17.5	171.5	0	0	0	0	0	114.5	K266 T298	K266-G296 PolarHBondContact O-N 3.19Å; G296-T298 PolarHBondContact O-N 3.21Å
297	I	60.5	Low	62.2	Low	16 Å²	16	42.7 Å²	42.7	8%	0.082	25%	0.253	C	S	.	.			trans	-85.7	98.8	-179.7	-57.3	-60	0	0	0	109.1	K266 V268 K294 A301 M303	K266-I297 WeakPolarHBondContact CB-O 3.41Å; K266-I297 WeakPolarHBondContact CD-O 3.45Å; K266-I297 PolarHBondContact O-N 3.07Å; K266-I297 VanDerWaalsContact O-N 3.09Å; V268-I297 HydrophobicContact CG2-CB 3.99Å; V268-I297 HydrophobicContact CG2-CG1 4Å; V268-I297 HydrophobicContact CG2-CG2 3.9Å; K294-I297 HydrophobicContact CB-CG1 4.4Å; K294-I297 HydrophobicContact CG-CD1 3.78Å; K294-I297 HydrophobicContact CG-CG1 3.91Å; I297-A301 HydrophobicContact CD1-CB 4.44Å; I297-A301 HydrophobicContact CG2-CB 4.21Å; I297-M303 HydrophobicContact CD1-CE 4.29Å; I297-M303 HydrophobicContact CG1-CE 4.21Å
298	T	57.9	Low	60.5	Low	79 Å²	79	44 Å²	44	49%	0.485	27%	0.267	S	S	.	.			trans	-76.9	172.3	170.2	61.7	0	0	0	0	111.6	G296 A300 A301	G296-T298 PolarHBondContact O-N 3.21Å; T298-A300 PolarHBondContact O-N 2.63Å; T298-A301 VanDerWaalsContact N-CB 3.35Å; T298-A301 PolarHBondContact O-N 2.94Å
299	D	51.6	Low	59.8	Low	105 Å²	105	44.4 Å²	44.4	56%	0.561	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-12.7	-173.9	-53.1	-59.4	0	0	0	113.9	K266 R325	K266-D299 VanDerWaalsContact NZ-CG 3.31Å; K266-D299 IonicContact NZ-OD1 3.04Å; K266-D299 PolarHBondContact NZ-OD1 2.95Å; K266-D299 IonicContact NZ-OD2 2.93Å; K266-D299 PolarHBondContact NZ-OD2 3.46Å; D299-R325 IonicContact OD1-CZ 3.03Å; D299-R325 IonicContact OD1-NH1 2.78Å; D299-R325 PolarHBondContact OD1-NH1 3.32Å
300	A	45.1	Very low	60	Low	63 Å²	63	42.7 Å²	42.7	52%	0.521	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	2	174.2	0	0	0	0	0	113.7	Y49 T298	Y49-A300 HydrophobicContact CE1-CB 4.45Å; T298-A300 PolarHBondContact O-N 2.63Å
301	A	46.9	Very low	60.7	Low	28 Å²	28	44.5 Å²	44.5	23%	0.231	27%	0.27	C	S	.	.			trans	-86.5	138.7	-177	0	0	0	0	0	111.3	I297 T298	I297-A301 HydrophobicContact CD1-CB 4.44Å; I297-A301 HydrophobicContact CG2-CB 4.21Å; T298-A301 VanDerWaalsContact N-CB 3.35Å; T298-A301 PolarHBondContact O-N 2.94Å
302	T	48.6	Very low	62.1	Low	52 Å²	52	45 Å²	45	32%	0.319	27%	0.269	S	S	.	.			trans	-125.8	159.9	-176.3	51.3	0	0	0	0	110.9	D322 Y323	T302-D322 VanDerWaalsContact CB-CG 3.46Å; T302-D322 HydrophobicContact CG2-CB 3.73Å; T302-D322 WeakPolarHBondContact OG1-CB 3.37Å; T302-D322 PolarHBondContact OG1-OD2 2.81Å; T302-Y323 CarbonylContact C-O 3.5Å; T302-Y323 VanDerWaalsContact CA-O 3.3Å; T302-Y323 WeakPolarHBondContact CA-O 3.35Å
303	M	54.2	Low	63.2	Low	7 Å²	7	43.7 Å²	43.7	3%	0.034	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-137.2	162.3	-178.4	51.8	176.4	135.9	0	0	113.2	V268 R270 K294 I297 D322 Y323	V268-M303 HydrophobicContact CB-CE 3.72Å; V268-M303 HydrophobicContact CG1-CE 3.81Å; V268-M303 HydrophobicContact CG2-CE 3.77Å; R270-M303 WeakPolarHBondContact CD-SD 3.1Å; R270-M303 HydrophobicContact CG-CE 4.41Å; K294-M303 HydrophobicContact CB-CE 4.38Å; K294-M303 HydrophobicContact CB-SD 3.92Å; K294-M303 HydrophobicContact CG-SD 3.86Å; I297-M303 HydrophobicContact CD1-CE 4.29Å; I297-M303 HydrophobicContact CG1-CE 4.21Å; M303-D322 WeakPolarHBondContact O-CA 3.43Å; M303-Y323 HydrophobicContact CE-CD2 3.74Å; M303-Y323 HydrophobicContact CE-CE2 3.55Å; M303-Y323 HydrophobicContact CG-CD1 4.11Å; M303-Y323 HydrophobicContact CG-CD2 3.44Å; M303-Y323 VanDerWaalsContact CG-CD2 3.44Å; M303-Y323 HydrophobicContact CG-CE1 3.9Å; M303-Y323 HydrophobicContact CG-CE2 3.23Å; M303-Y323 HydrophobicContact CG-CG 3.89Å; M303-Y323 VanDerWaalsContact CG-CZ 3.44Å; M303-Y323 WeakPolarHBondContact CG-O 3.38Å; M303-Y323 PolarHBondContact N-O 3.11Å; M303-Y323 WeakPolarHBondContact O-CD1 3.5Å; M303-Y323 WeakPolarHBondContact O-CE1 3.38Å; M303-Y323 PolarHBondContact O-N 3.33Å; M303-Y323 HydrophobicContact SD-CD2 3.81Å; M303-Y323 HydrophobicContact SD-CE2 3.14Å; M303-Y323 WeakPolarHBondContact SD-CE2 3.47Å; M303-Y323 VanDerWaalsContact SD-CZ 3.56Å
304	K	50.1	Low	63.9	Low	84 Å²	84	43.7 Å²	43.7	37%	0.365	26%	0.262	S	S	.	.			trans	-127.4	-1.3	-166.6	-64.1	175.9	-174.5	152.1	0	115.3	N53 D322	N53-K304 PolarHBondContact O-NZ 3.33Å; K304-D322 WeakPolarHBondContact CE-OD1 3.39Å; K304-D322 WeakPolarHBondContact CG-OD1 3.05Å; K304-D322 IonicContact NZ-OD1 2.78Å
305	T	52.7	Low	64.9	Low	60 Å²	60	39.9 Å²	39.9	37%	0.368	25%	0.246	S	C	.	.			trans	-80.1	126	-174.8	-50.3	0	0	0	0	110	C307 Y323	T305-C307 PolarHBondContact O-N 2.68Å; T305-Y323 WeakPolarHBondContact O-CE1 3.44Å; T305-Y323 PolarHBondContact O-OH 2.56Å
306	F	54.7	Low	65.9	Low	54 Å²	54	37.5 Å²	37.5	24%	0.237	24%	0.235	C	C	.	.			trans	-82.6	113.5	170.8	-174.9	-88.7	0	0	0	109.7	Y18 L313 V317 L318 F355	Y18-F306 HydrophobicContact CD1-CB 4.02Å; Y18-F306 AromaticContact CD1-CD1 3.67Å; Y18-F306 HydrophobicContact CD1-CD1 3.67Å; Y18-F306 AromaticContact CD1-CD2 3.88Å; Y18-F306 HydrophobicContact CD1-CD2 3.88Å; Y18-F306 HydrophobicContact CD1-CE1 4.04Å; Y18-F306 HydrophobicContact CD1-CE2 4.21Å; Y18-F306 AromaticContact CD1-CG 3.59Å; Y18-F306 HydrophobicContact CD1-CG 3.59Å; Y18-F306 HydrophobicContact CD1-CZ 4.3Å; Y18-F306 HydrophobicContact CD2-CB 3.95Å; Y18-F306 AromaticContact CD2-CD2 3.53Å; Y18-F306 HydrophobicContact CD2-CD2 3.53Å; Y18-F306 HydrophobicContact CD2-CE2 4.17Å; Y18-F306 AromaticContact CD2-CG 3.84Å; Y18-F306 HydrophobicContact CD2-CG 3.84Å; Y18-F306 HydrophobicContact CE1-CB 3.44Å; Y18-F306 VanDerWaalsContact CE1-CB 3.44Å; Y18-F306 AromaticContact CE1-CD1 3.71Å; Y18-F306 HydrophobicContact CE1-CD1 3.71Å; Y18-F306 HydrophobicContact CE1-CD2 4.21Å; Y18-F306 AromaticContact CE1-CG 3.54Å; Y18-F306 HydrophobicContact CE1-CG 3.54Å; Y18-F306 HydrophobicContact CE2-CB 3.41Å; Y18-F306 VanDerWaalsContact CE2-CB 3.41Å; Y18-F306 AromaticContact CE2-CD2 3.93Å; Y18-F306 HydrophobicContact CE2-CD2 3.93Å; Y18-F306 AromaticContact CE2-CG 3.84Å; Y18-F306 HydrophobicContact CE2-CG 3.84Å; Y18-F306 HydrophobicContact CG-CB 4.24Å; Y18-F306 HydrophobicContact CG-CD1 4.19Å; Y18-F306 AromaticContact CG-CD2 3.52Å; Y18-F306 HydrophobicContact CG-CD2 3.52Å; Y18-F306 HydrophobicContact CG-CE1 4.44Å; Y18-F306 AromaticContact CG-CE2 3.79Å; Y18-F306 HydrophobicContact CG-CE2 3.79Å; Y18-F306 AromaticContact CG-CG 3.74Å; Y18-F306 HydrophobicContact CG-CG 3.74Å; Y18-F306 HydrophobicContact CG-CZ 4.26Å; Y18-F306 AromaticContact CZ-CG 3.68Å; Y18-F306 WeakPolarHBondContact OH-CB 3.44Å; F306-L313 HydrophobicContact CE1-CD1 4.18Å; F306-L313 HydrophobicContact CE2-CD1 3.8Å; F306-L313 HydrophobicContact CZ-CD1 3.51Å; F306-V317 HydrophobicContact CD2-CG1 4.35Å; F306-L318 HydrophobicContact CE2-CD2 3.81Å; F306-L318 HydrophobicContact CZ-CD2 4.25Å; F306-F355 HydrophobicContact CZ-CZ 4.45Å
307	C	57.5	Low	67	Low	16 Å²	16	35.1 Å²	35.1	11%	0.108	21%	0.209	C	C	.	.			trans	-155.7	150.5	178.6	58.4	0	0	0	0	110.3	R270 L292 T305 L313	R270-C307 VanDerWaalsContact CZ-SG 3.54Å; L292-C307 HydrophobicContact CD1-CB 4.08Å; L292-C307 HydrophobicContact CD2-CB 3.86Å; L292-C307 HydrophobicContact CG-CB 4.5Å; T305-C307 PolarHBondContact O-N 2.68Å; C307-L313 WeakPolarHBondContact O-CD2 3.14Å
308	G	60.6	Low	67.9	Low	27 Å²	27	34.5 Å²	34.5	28%	0.278	21%	0.206	S	C	.	.	S	Bend	trans	125.2	179.8	179.6	0	0	0	0	0	112.6
309	T	72.8	Confident	68.4	Low	32 Å²	32	32.8 Å²	32.8	20%	0.196	19%	0.193	C	C	.	.			trans	-88.4	125.2	179.5	-52	0	0	0	0	109.1	K273 E311 Y312 L313	K273-T309 VanDerWaalsContact CD-OG1 3.28Å; K273-T309 WeakPolarHBondContact CD-OG1 3.45Å; K273-T309 PolarHBondContact NZ-OG1 2.77Å; K273-T309 VanDerWaalsContact NZ-OG1 3.11Å; T309-E311 WeakPolarHBondContact CG2-OE2 3.32Å; T309-E311 PolarHBondContact O-N 3.47Å; T309-Y312 HydrophobicContact CG2-CD2 3.95Å; T309-Y312 HydrophobicContact CG2-CE2 4.34Å; T309-Y312 PolarHBondContact O-N 3.02Å; T309-L313 PolarHBondContact O-N 3.07Å
310	P	82.8	Confident	68.9	Low	30 Å²	30	28.3 Å²	28.3	20%	0.195	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-47.1	-41.2	-168	-32.6	37	0	0	0	115.7	Y312 L313 L354 F355 I358	P310-Y312 PolarHBondContact O-N 2.85Å; P310-L313 PolarHBondContact O-N 2.83Å; P310-L354 HydrophobicContact CB-CD2 3.91Å; P310-F355 HydrophobicContact CB-CE1 4.02Å; P310-I358 WeakPolarHBondContact O-CD1 3.17Å
311	E	87.3	Confident	69.7	Low	39 Å²	39	26 Å²	26	18%	0.182	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-68.8	-20.8	-177.8	-62.2	85	168.3	0	0	113.5	T309 L344 L354	T309-E311 WeakPolarHBondContact CG2-OE2 3.32Å; T309-E311 PolarHBondContact O-N 3.47Å; E311-L344 HydrophobicContact CB-CD1 3.74Å; E311-L344 HydrophobicContact CB-CD2 4.26Å; E311-L344 HydrophobicContact CG-CD1 3.74Å; E311-L354 HydrophobicContact CG-CD2 3.93Å
312	Y	90.5	Very high	70.4	Confident	20 Å²	20	25.7 Å²	25.7	8%	0.078	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-104.4	-6.1	-179.2	-63.5	-94.6	0	0	0	112.8	L272 K273 T309 P310 A314 V334 V335 E338 L344	L272-Y312 WeakPolarHBondContact O-CD1 3.19Å; K273-Y312 HydrophobicContact CB-CD1 3.77Å; K273-Y312 HydrophobicContact CB-CD2 3.91Å; K273-Y312 HydrophobicContact CB-CE1 3.77Å; K273-Y312 HydrophobicContact CB-CE2 3.86Å; K273-Y312 HydrophobicContact CB-CG 3.86Å; T309-Y312 HydrophobicContact CG2-CD2 3.95Å; T309-Y312 HydrophobicContact CG2-CE2 4.34Å; T309-Y312 PolarHBondContact O-N 3.02Å; P310-Y312 PolarHBondContact O-N 2.85Å; Y312-A314 PolarHBondContact O-N 3.01Å; Y312-V334 HydrophobicContact CD1-CB 3.98Å; Y312-V334 HydrophobicContact CD1-CG1 3.35Å; Y312-V334 HydrophobicContact CE1-CB 4.46Å; Y312-V334 HydrophobicContact CE1-CG1 3.57Å; Y312-V334 HydrophobicContact CG-CG1 4.11Å; Y312-V335 HydrophobicContact CD1-CG2 4.33Å; Y312-V335 HydrophobicContact CE1-CG2 4.05Å; Y312-E338 PolarHBondContact OH-OE2 3.1Å; Y312-L344 HydrophobicContact CE1-CD2 4.18Å; Y312-L344 HydrophobicContact CE2-CD2 4.13Å
313	L	87.9	Confident	71.3	Confident	7 Å²	7	23.5 Å²	23.5	4%	0.037	13%	0.128	C	C	.	.			trans	-66.8	132.8	-177.4	-67.2	-179.7	0	0	0	111.7	F306 C307 T309 P310 V317 L318 W330	F306-L313 HydrophobicContact CE1-CD1 4.18Å; F306-L313 HydrophobicContact CE2-CD1 3.8Å; F306-L313 HydrophobicContact CZ-CD1 3.51Å; C307-L313 WeakPolarHBondContact O-CD2 3.14Å; T309-L313 PolarHBondContact O-N 3.07Å; P310-L313 PolarHBondContact O-N 2.83Å; L313-V317 HydrophobicContact CD2-CG1 4.13Å; L313-L318 HydrophobicContact CB-CD2 3.86Å; L313-L318 HydrophobicContact CB-CG 4.18Å; L313-L318 HydrophobicContact CD1-CD2 3.58Å; L313-L318 HydrophobicContact CG-CD2 4.36Å; L313-W330 PolarHBondContact O-NE1 3.4Å; L313-W330 VanDerWaalsContact O-NE1 3.14Å
314	A	89.4	Confident	72.4	Confident	3 Å²	3	24.1 Å²	24.1	3%	0.025	14%	0.136	C	C	.	.			trans	-69.7	148.1	172.9	0	0	0	0	0	110.9	Y312 E316 V317 L318 V327 W330	Y312-A314 PolarHBondContact O-N 3.01Å; A314-E316 VanDerWaalsContact C-N 3.28Å; A314-E316 HydrophobicContact CB-CG 4.49Å; A314-E316 PolarHBondContact O-N 3.07Å; A314-V317 HydrophobicContact CB-CG2 4.17Å; A314-V317 WeakPolarHBondContact O-CB 3.41Å; A314-V317 PolarHBondContact O-N 2.89Å; A314-L318 PolarHBondContact O-N 2.94Å; A314-V327 HydrophobicContact CB-CB 4.24Å; A314-V327 HydrophobicContact CB-CG1 4.06Å; A314-W330 VanDerWaalsContact CA-CD1 3.45Å; A314-W330 HydrophobicContact CB-CB 3.77Å; A314-W330 HydrophobicContact CB-CD2 4.21Å; A314-W330 HydrophobicContact CB-CG 3.62Å
315	P	90.2	Very high	74.1	Confident	5 Å²	5	22 Å²	22	3%	0.032	13%	0.126	C	C	.	.	H	α-helix	trans	-48.7	-47.9	179.2	-33.2	39.6	0	0	0	113	V317 L318 E319 W330 I358 L359 K383	P315-V317 VanDerWaalsContact C-N 3.25Å; P315-V317 PolarHBondContact O-N 2.7Å; P315-L318 WeakPolarHBondContact O-CA 3.33Å; P315-L318 WeakPolarHBondContact O-CB 3.38Å; P315-L318 PolarHBondContact O-N 2.73Å; P315-E319 WeakPolarHBondContact O-CG 3.31Å; P315-E319 PolarHBondContact O-N 3.09Å; P315-W330 HydrophobicContact CG-CE3 4.2Å; P315-W330 HydrophobicContact CG-CH2 3.62Å; P315-W330 HydrophobicContact CG-CZ2 4.08Å; P315-W330 HydrophobicContact CG-CZ3 3.68Å; P315-I358 HydrophobicContact CG-CG2 3.92Å; P315-L359 HydrophobicContact CB-CD2 3.93Å; P315-K383 HydrophobicContact CB-CB 4.4Å; P315-K383 HydrophobicContact CG-CB 4.08Å; P315-K383 HydrophobicContact CG-CG 4.29Å
316	E	83.7	Confident	76	Confident	4 Å²	4	19.5 Å²	19.5	2%	0.019	11%	0.111	C	C	.	.	H	α-helix	trans	-64	-26.5	-178.4	64.7	-87.1	-155.5	0	0	114.1	A314 E319 N321 V327 P385 R388	A314-E316 VanDerWaalsContact C-N 3.28Å; A314-E316 HydrophobicContact CB-CG 4.49Å; A314-E316 PolarHBondContact O-N 3.07Å; E316-E319 PolarHBondContact O-N 3.18Å; E316-N321 HydrophobicContact CB-CB 4.38Å; E316-N321 PolarHBondContact O-N 2.8Å; E316-V327 HydrophobicContact CG-CG1 4.11Å; E316-V327 WeakPolarHBondContact OE1-CG1 3.37Å; E316-P385 HydrophobicContact CB-CG 4.34Å; E316-P385 HydrophobicContact CG-CG 4.3Å; E316-R388 IonicContact OE1-CZ 3.8Å; E316-R388 IonicContact OE1-NH1 3.26Å; E316-R388 PolarHBondContact OE1-NH1 2.93Å; E316-R388 IonicContact OE1-NH2 3.49Å; E316-R388 IonicContact OE2-CZ 3.06Å; E316-R388 IonicContact OE2-NH1 2.81Å; E316-R388 PolarHBondContact OE2-NH1 2.78Å; E316-R388 IonicContact OE2-NH2 2.67Å; E316-R388 PolarHBondContact OE2-NH2 3.22Å
317	V	82.3	Confident	77.7	Confident	7 Å²	7	17.4 Å²	17.4	4%	0.042	10%	0.103	C	C	.	.	H	α-helix	trans	-72.7	-37.3	173.2	-177.3	0	0	0	0	110.3	F306 L313 A314 P315 E319 Y323 V327	F306-V317 HydrophobicContact CD2-CG1 4.35Å; L313-V317 HydrophobicContact CD2-CG1 4.13Å; A314-V317 HydrophobicContact CB-CG2 4.17Å; A314-V317 WeakPolarHBondContact O-CB 3.41Å; A314-V317 PolarHBondContact O-N 2.89Å; P315-V317 VanDerWaalsContact C-N 3.25Å; P315-V317 PolarHBondContact O-N 2.7Å; V317-E319 VanDerWaalsContact C-N 3.31Å; V317-Y323 HydrophobicContact CG1-CE1 4.27Å; V317-Y323 HydrophobicContact CG2-CD1 3.95Å; V317-Y323 HydrophobicContact CG2-CD2 4.03Å; V317-Y323 HydrophobicContact CG2-CE1 4.09Å; V317-Y323 HydrophobicContact CG2-CE2 4.1Å; V317-Y323 HydrophobicContact CG2-CG 3.94Å; V317-V327 HydrophobicContact CG2-CB 4.46Å; V317-V327 HydrophobicContact CG2-CG1 3.69Å
318	L	80	Confident	79.5	Confident	2 Å²	2	16.7 Å²	16.7	1%	0.01	10%	0.098	C	C	.	.	H	α-helix	trans	-70.8	-26.4	174.8	-61.3	-179.3	0	0	0	113.1	I19 F306 L313 A314 P315 D320 F355 I358 L359	I19-L318 HydrophobicContact CD1-CB 4.02Å; F306-L318 HydrophobicContact CE2-CD2 3.81Å; F306-L318 HydrophobicContact CZ-CD2 4.25Å; L313-L318 HydrophobicContact CB-CD2 3.86Å; L313-L318 HydrophobicContact CB-CG 4.18Å; L313-L318 HydrophobicContact CD1-CD2 3.58Å; L313-L318 HydrophobicContact CG-CD2 4.36Å; A314-L318 PolarHBondContact O-N 2.94Å; P315-L318 WeakPolarHBondContact O-CA 3.33Å; P315-L318 WeakPolarHBondContact O-CB 3.38Å; P315-L318 PolarHBondContact O-N 2.73Å; L318-D320 VanDerWaalsContact C-N 3.32Å; L318-F355 HydrophobicContact CD1-CB 4.22Å; L318-F355 HydrophobicContact CD1-CD1 3.81Å; L318-F355 HydrophobicContact CD1-CG 4.28Å; L318-F355 HydrophobicContact CD2-CD1 3.59Å; L318-F355 HydrophobicContact CD2-CE1 3.61Å; L318-F355 HydrophobicContact CD2-CG 4.25Å; L318-F355 HydrophobicContact CD2-CZ 4.29Å; L318-F355 HydrophobicContact CG-CD1 4.36Å; L318-I358 HydrophobicContact CD1-CB 3.82Å; L318-I358 HydrophobicContact CD1-CD1 4.02Å; L318-I358 HydrophobicContact CD1-CG2 3.53Å; L318-L359 HydrophobicContact CB-CD2 4.32Å; L318-L359 HydrophobicContact CD1-CG 4.4Å
319	E	67.9	Low	81.3	Confident	44 Å²	44	15.4 Å²	15.4	21%	0.206	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-3.6	-177.8	-60.7	-143.7	127	0	0	114.4	R23 P315 E316 V317 N321 L359	R23-E319 IonicContact CZ-OE1 3.79Å; R23-E319 VanDerWaalsContact NH1-CB 3.28Å; R23-E319 IonicContact NH1-OE1 3.78Å; R23-E319 PolarHBondContact NH1-OE1 2.88Å; R23-E319 IonicContact NH1-OE2 3.74Å; P315-E319 WeakPolarHBondContact O-CG 3.31Å; P315-E319 PolarHBondContact O-N 3.09Å; E316-E319 PolarHBondContact O-N 3.18Å; V317-E319 VanDerWaalsContact C-N 3.31Å; E319-N321 HydrophobicContact CB-CB 4.34Å; E319-N321 WeakPolarHBondContact CB-ND2 3.38Å; E319-N321 PolarHBondContact O-N 2.89Å; E319-N321 PolarHBondContact OE2-ND2 3.33Å; E319-L359 HydrophobicContact CG-CD2 3.6Å
320	D	62.3	Low	82.5	Confident	10 Å²	10	14 Å²	14	5%	0.053	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	28.9	-167	-61.6	-35.8	0	0	0	113.8	E17 Y18 L318	E17-D320 WeakPolarHBondContact CA-OD2 3.22Å; E17-D320 WeakPolarHBondContact CB-OD2 3.42Å; E17-D320 WeakPolarHBondContact CG-OD2 3.31Å; E17-D320 PolarHBondContact N-OD2 3.36Å; Y18-D320 VanDerWaalsContact CD2-CG 3.46Å; Y18-D320 WeakPolarHBondContact CD2-OD1 3.38Å; Y18-D320 WeakPolarHBondContact CD2-OD2 3.37Å; Y18-D320 WeakPolarHBondContact CE2-OD1 3.44Å; L318-D320 VanDerWaalsContact C-N 3.32Å
321	N	60.7	Low	83.1	Confident	14 Å²	14	12.8 Å²	12.8	8%	0.075	7%	0.069	C	C	.	.			trans	-81.4	147.9	173.8	-67.1	-19.5	0	0	0	108.3	L51 E316 E319 Y323	L51-N321 HydrophobicContact CD2-CB 3.89Å; E316-N321 HydrophobicContact CB-CB 4.38Å; E316-N321 PolarHBondContact O-N 2.8Å; E319-N321 HydrophobicContact CB-CB 4.34Å; E319-N321 WeakPolarHBondContact CB-ND2 3.38Å; E319-N321 PolarHBondContact O-N 2.89Å; E319-N321 PolarHBondContact OE2-ND2 3.33Å; N321-Y323 WeakPolarHBondContact O-CD1 3.38Å; N321-Y323 PolarHBondContact O-N 2.93Å
322	D	61.3	Low	83.7	Confident	23 Å²	23	11 Å²	11	12%	0.123	6%	0.06	C	C	.	.			trans	-49.1	112	160.9	-95.9	14.1	0	0	0	110.2	T302 M303 K304	T302-D322 VanDerWaalsContact CB-CG 3.46Å; T302-D322 HydrophobicContact CG2-CB 3.73Å; T302-D322 WeakPolarHBondContact OG1-CB 3.37Å; T302-D322 PolarHBondContact OG1-OD2 2.81Å; M303-D322 WeakPolarHBondContact O-CA 3.43Å; K304-D322 WeakPolarHBondContact CE-OD1 3.39Å; K304-D322 WeakPolarHBondContact CG-OD1 3.05Å; K304-D322 IonicContact NZ-OD1 2.78Å
323	Y	67.5	Low	84.1	Confident	6 Å²	6	10 Å²	10	2%	0.024	6%	0.056	C	C	.	.	B	Isolated β-bridge	trans	-116.9	154.6	-177.3	65.6	-95.5	0	0	0	112.2	R270 T302 M303 T305 V317 N321 V327	R270-Y323 HydrophobicContact CG-CE2 4.47Å; R270-Y323 PolarHBondContact NH1-OH 3.27Å; T302-Y323 CarbonylContact C-O 3.5Å; T302-Y323 VanDerWaalsContact CA-O 3.3Å; T302-Y323 WeakPolarHBondContact CA-O 3.35Å; M303-Y323 HydrophobicContact CE-CD2 3.74Å; M303-Y323 HydrophobicContact CE-CE2 3.55Å; M303-Y323 HydrophobicContact CG-CD1 4.11Å; M303-Y323 HydrophobicContact CG-CD2 3.44Å; M303-Y323 VanDerWaalsContact CG-CD2 3.44Å; M303-Y323 HydrophobicContact CG-CE1 3.9Å; M303-Y323 HydrophobicContact CG-CE2 3.23Å; M303-Y323 HydrophobicContact CG-CG 3.89Å; M303-Y323 VanDerWaalsContact CG-CZ 3.44Å; M303-Y323 WeakPolarHBondContact CG-O 3.38Å; M303-Y323 PolarHBondContact N-O 3.11Å; M303-Y323 WeakPolarHBondContact O-CD1 3.5Å; M303-Y323 WeakPolarHBondContact O-CE1 3.38Å; M303-Y323 PolarHBondContact O-N 3.33Å; M303-Y323 HydrophobicContact SD-CD2 3.81Å; M303-Y323 HydrophobicContact SD-CE2 3.14Å; M303-Y323 WeakPolarHBondContact SD-CE2 3.47Å; M303-Y323 VanDerWaalsContact SD-CZ 3.56Å; T305-Y323 WeakPolarHBondContact O-CE1 3.44Å; T305-Y323 PolarHBondContact O-OH 2.56Å; V317-Y323 HydrophobicContact CG1-CE1 4.27Å; V317-Y323 HydrophobicContact CG2-CD1 3.95Å; V317-Y323 HydrophobicContact CG2-CD2 4.03Å; V317-Y323 HydrophobicContact CG2-CE1 4.09Å; V317-Y323 HydrophobicContact CG2-CE2 4.1Å; V317-Y323 HydrophobicContact CG2-CG 3.94Å; N321-Y323 WeakPolarHBondContact O-CD1 3.38Å; N321-Y323 PolarHBondContact O-N 2.93Å; Y323-V327 HydrophobicContact CD2-CB 4.39Å; Y323-V327 HydrophobicContact CD2-CG1 3.42Å; Y323-V327 VanDerWaalsContact CD2-CG1 3.42Å; Y323-V327 HydrophobicContact CD2-CG2 4.15Å; Y323-V327 HydrophobicContact CE2-CG1 4.2Å; Y323-V327 HydrophobicContact CE2-CG2 4.37Å; Y323-V327 HydrophobicContact CG-CG1 3.94Å
324	G	77.9	Confident	84.6	Confident	20 Å²	20	9.7 Å²	9.7	21%	0.206	6%	0.055	C	C	.	.			trans	-126.2	-156.4	-176.1	0	0	0	0	0	112.4	A326 V327	G324-A326 PolarHBondContact O-N 2.84Å; G324-A326 VanDerWaalsContact O-N 3.09Å; G324-V327 WeakPolarHBondContact O-CG2 3.34Å; G324-V327 PolarHBondContact O-N 2.98Å
325	R	86.9	Confident	85	Confident	39 Å²	39	9.5 Å²	9.5	15%	0.147	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-21.5	179.8	69.8	-168.2	-177.6	-167.4	-3.3	115.3	V268 D299 V327 D328 G392 P393 D395	V268-R325 HydrophobicContact CG2-CB 4.27Å; D299-R325 IonicContact OD1-CZ 3.03Å; D299-R325 IonicContact OD1-NH1 2.78Å; D299-R325 PolarHBondContact OD1-NH1 3.32Å; R325-V327 PolarHBondContact O-N 3.48Å; R325-D328 PolarHBondContact O-N 3.09Å; R325-D328 VanDerWaalsContact O-N 3.12Å; R325-G392 PolarHBondContact NH2-O 2.76Å; R325-P393 PolarHBondContact NH2-O 3.43Å; R325-D395 WeakPolarHBondContact CD-OD1 3.43Å; R325-D395 WeakPolarHBondContact CG-OD1 3.41Å; R325-D395 VanDerWaalsContact CZ-CB 3.47Å; R325-D395 IonicContact CZ-OD1 2.62Å; R325-D395 IonicContact NE-OD1 3.87Å; R325-D395 PolarHBondContact NE-OD1 2.91Å
326	A	91.1	Very high	85.4	Confident	7 Å²	7	9.3 Å²	9.3	6%	0.058	5%	0.052	C	C	.	.	H	α-helix	trans	-60.3	-17.8	179.1	0	0	0	0	0	114.2	G324 D328 W329 W330 P385 R388	G324-A326 PolarHBondContact O-N 2.84Å; G324-A326 VanDerWaalsContact O-N 3.09Å; A326-D328 VanDerWaalsContact C-N 3.34Å; A326-W329 PolarHBondContact O-N 2.72Å; A326-W330 PolarHBondContact O-N 3.01Å; A326-P385 HydrophobicContact CB-CB 3.81Å; A326-R388 PolarHBondContact O-NH1 3.26Å
327	V	90.9	Very high	86.1	Confident	11 Å²	11	9.3 Å²	9.3	7%	0.067	5%	0.052	C	C	.	.	H	α-helix	trans	-66.8	-34.5	175.4	-60	0	0	0	0	112.6	V268 R270 A314 E316 V317 Y323 G324 R325 W329 W330 G331	V268-V327 HydrophobicContact CG1-CG2 3.65Å; R270-V327 HydrophobicContact CG-CG2 4.24Å; A314-V327 HydrophobicContact CB-CB 4.24Å; A314-V327 HydrophobicContact CB-CG1 4.06Å; E316-V327 HydrophobicContact CG-CG1 4.11Å; E316-V327 WeakPolarHBondContact OE1-CG1 3.37Å; V317-V327 HydrophobicContact CG2-CB 4.46Å; V317-V327 HydrophobicContact CG2-CG1 3.69Å; Y323-V327 HydrophobicContact CD2-CB 4.39Å; Y323-V327 HydrophobicContact CD2-CG1 3.42Å; Y323-V327 VanDerWaalsContact CD2-CG1 3.42Å; Y323-V327 HydrophobicContact CD2-CG2 4.15Å; Y323-V327 HydrophobicContact CE2-CG1 4.2Å; Y323-V327 HydrophobicContact CE2-CG2 4.37Å; Y323-V327 HydrophobicContact CG-CG1 3.94Å; G324-V327 WeakPolarHBondContact O-CG2 3.34Å; G324-V327 PolarHBondContact O-N 2.98Å; R325-V327 PolarHBondContact O-N 3.48Å; V327-W329 VanDerWaalsContact C-N 3.27Å; V327-W329 PolarHBondContact O-N 3.25Å; V327-W330 WeakPolarHBondContact O-CB 3.43Å; V327-W330 PolarHBondContact O-N 3.32Å; V327-G331 PolarHBondContact O-N 3.39Å
328	D	94.6	Very high	86.8	Confident	1 Å²	1	9.9 Å²	9.9	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-69.8	-31.1	178.8	-73.1	-15	0	0	0	110.7	L259 H263 V268 Y269 R270 R325 A326 G331 L332	L259-D328 HydrophobicContact CD1-CB 3.99Å; L259-D328 HydrophobicContact CD2-CB 4.03Å; H263-D328 IonicContact CD2-OD2 2.67Å; H263-D328 IonicContact NE2-OD2 3.54Å; H263-D328 PolarHBondContact NE2-OD2 3.39Å; V268-D328 VanDerWaalsContact CG1-OD2 3.31Å; V268-D328 WeakPolarHBondContact CG1-OD2 3.4Å; Y269-D328 WeakPolarHBondContact CB-OD2 3.32Å; Y269-D328 PolarHBondContact N-OD2 3.49Å; R270-D328 WeakPolarHBondContact CA-OD1 3.37Å; R270-D328 PolarHBondContact N-OD1 2.96Å; R325-D328 PolarHBondContact O-N 3.09Å; R325-D328 VanDerWaalsContact O-N 3.12Å; A326-D328 VanDerWaalsContact C-N 3.34Å; D328-G331 PolarHBondContact O-N 3.21Å; D328-L332 PolarHBondContact O-N 3.38Å
329	W	98.3	Very high	87.7	Confident	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-72.5	-33.3	173.9	-53.2	136.8	0	0	0	113.2	V256 L259 H263 A326 V327 L332 G333 L380 G390 D395 A396 I399	V256-W329 HydrophobicContact CG2-CZ3 4.31Å; L259-W329 HydrophobicContact CB-CH2 3.66Å; L259-W329 HydrophobicContact CB-CZ3 3.77Å; L259-W329 HydrophobicContact CD1-CE3 3.87Å; L259-W329 HydrophobicContact CD1-CH2 4.22Å; L259-W329 HydrophobicContact CD1-CZ3 3.49Å; L259-W329 VanDerWaalsContact CD1-CZ3 3.49Å; L259-W329 HydrophobicContact CG-CZ3 4.31Å; H263-W329 AromaticContact CE1-CE2 3.58Å; H263-W329 AromaticContact CE1-CZ2 3.44Å; H263-W329 VanDerWaalsContact CE1-CZ2 3.44Å; H263-W329 WeakPolarHBondContact CE1-CZ2 3.44Å; H263-W329 AromaticContact CE1-NE1 3.8Å; H263-W329 AromaticContact ND1-CE2 3.87Å; H263-W329 AromaticContact ND1-CZ2 3.41Å; H263-W329 WeakPolarHBondContact ND1-CZ2 3.35Å; A326-W329 PolarHBondContact O-N 2.72Å; V327-W329 VanDerWaalsContact C-N 3.27Å; V327-W329 PolarHBondContact O-N 3.25Å; W329-L332 HydrophobicContact CE3-CB 4.5Å; W329-L332 HydrophobicContact CE3-CD2 3.94Å; W329-L332 HydrophobicContact CZ3-CD2 4.21Å; W329-L332 PolarHBondContact O-N 3.42Å; W329-G333 PolarHBondContact O-N 2.67Å; W329-L380 HydrophobicContact CB-CD2 4.09Å; W329-G390 PolarHBondContact NE1-O 2.9Å; W329-D395 PolarHBondContact NE1-OD1 3.15Å; W329-A396 HydrophobicContact CH2-CB 3.57Å; W329-A396 HydrophobicContact CZ2-CB 3.61Å; W329-I399 HydrophobicContact CB-CD1 4.19Å; W329-I399 HydrophobicContact CD2-CD1 3.23Å; W329-I399 HydrophobicContact CE3-CD1 3.18Å; W329-I399 HydrophobicContact CG-CD1 3.69Å; W329-I399 HydrophobicContact CH2-CD1 4.17Å; W329-I399 HydrophobicContact CZ2-CD1 4.2Å; W329-I399 HydrophobicContact CZ3-CD1 3.68Å
330	W	97.9	Very high	89.1	Confident	2 Å²	2	8.1 Å²	8.1	1%	0.008	5%	0.046	C	C	.	.	H	α-helix	trans	-61.6	-48.7	166.8	175.5	-86.5	0	0	0	110.8	L313 A314 P315 A326 V327 L332 G333 V334 F346 I358 L381	L313-W330 PolarHBondContact O-NE1 3.4Å; L313-W330 VanDerWaalsContact O-NE1 3.14Å; A314-W330 VanDerWaalsContact CA-CD1 3.45Å; A314-W330 HydrophobicContact CB-CB 3.77Å; A314-W330 HydrophobicContact CB-CD2 4.21Å; A314-W330 HydrophobicContact CB-CG 3.62Å; P315-W330 HydrophobicContact CG-CE3 4.2Å; P315-W330 HydrophobicContact CG-CH2 3.62Å; P315-W330 HydrophobicContact CG-CZ2 4.08Å; P315-W330 HydrophobicContact CG-CZ3 3.68Å; A326-W330 PolarHBondContact O-N 3.01Å; V327-W330 WeakPolarHBondContact O-CB 3.43Å; V327-W330 PolarHBondContact O-N 3.32Å; W330-L332 VanDerWaalsContact C-N 3.27Å; W330-L332 PolarHBondContact O-N 3.03Å; W330-G333 CarbonylContact O-C 3.33Å; W330-G333 WeakPolarHBondContact O-CA 3.46Å; W330-G333 PolarHBondContact O-N 2.88Å; W330-V334 PolarHBondContact O-N 3.06Å; W330-F346 AromaticContact CH2-CE2 3.75Å; W330-F346 HydrophobicContact CH2-CE2 3.75Å; W330-F346 HydrophobicContact CH2-CZ 4.4Å; W330-F346 HydrophobicContact CZ2-CD2 4.24Å; W330-F346 AromaticContact CZ2-CE2 3.76Å; W330-F346 HydrophobicContact CZ2-CE2 3.76Å; W330-I358 HydrophobicContact CH2-CG2 4.43Å; W330-I358 HydrophobicContact CZ2-CG2 3.95Å; W330-L381 HydrophobicContact CD2-CD2 3.75Å; W330-L381 HydrophobicContact CE3-CB 4.45Å; W330-L381 HydrophobicContact CE3-CD2 3.82Å; W330-L381 HydrophobicContact CG-CD2 4.31Å; W330-L381 HydrophobicContact CH2-CD2 4.25Å; W330-L381 HydrophobicContact CZ2-CD2 4.17Å; W330-L381 HydrophobicContact CZ3-CB 4.17Å; W330-L381 HydrophobicContact CZ3-CD2 4.08Å; W330-L381 WeakPolarHBondContact CZ3-O 3.37Å
331	G	97.3	Very high	90.8	Very high	4 Å²	4	8.6 Å²	8.6	4%	0.041	5%	0.05	C	C	.	.	H	α-helix	trans	-55.9	-41.2	176	0	0	0	0	0	112.6	V327 D328 G333 V334 V335	V327-G331 PolarHBondContact O-N 3.39Å; D328-G331 PolarHBondContact O-N 3.21Å; G331-G333 VanDerWaalsContact C-N 3.31Å; G331-G333 PolarHBondContact O-N 2.81Å; G331-V334 PolarHBondContact O-N 3.18Å; G331-V335 WeakPolarHBondContact O-CB 3.48Å; G331-V335 WeakPolarHBondContact O-CG2 3.46Å; G331-V335 PolarHBondContact O-N 2.78Å
332	L	98.6	Very high	92.5	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-61.9	-41.1	174.2	178.1	68	0	0	0	111.1	I255 V256 L272 D328 W329 W330 T336 L380 I399	I255-L332 HydrophobicContact CB-CD1 4.17Å; I255-L332 HydrophobicContact CG2-CD1 3.81Å; V256-L332 HydrophobicContact CG2-CD1 4.45Å; V256-L332 HydrophobicContact CG2-CD2 3.43Å; V256-L332 VanDerWaalsContact CG2-CD2 3.43Å; L272-L332 HydrophobicContact CD2-CB 4.04Å; D328-L332 PolarHBondContact O-N 3.38Å; W329-L332 HydrophobicContact CE3-CB 4.5Å; W329-L332 HydrophobicContact CE3-CD2 3.94Å; W329-L332 HydrophobicContact CZ3-CD2 4.21Å; W329-L332 PolarHBondContact O-N 3.42Å; W330-L332 VanDerWaalsContact C-N 3.27Å; W330-L332 PolarHBondContact O-N 3.03Å; L332-T336 HydrophobicContact CD1-CG2 3.88Å; L332-T336 HydrophobicContact CG-CG2 4.34Å; L332-T336 WeakPolarHBondContact O-CB 3.27Å; L332-T336 VanDerWaalsContact O-CG2 3.32Å; L332-T336 WeakPolarHBondContact O-CG2 3.1Å; L332-T336 PolarHBondContact O-N 2.99Å; L332-T336 PolarHBondContact O-OG1 3.43Å; L332-L380 HydrophobicContact CD2-CD1 4.06Å; L332-L380 HydrophobicContact CD2-CD2 4.27Å; L332-L380 HydrophobicContact CG-CD1 4.05Å; L332-I399 HydrophobicContact CD2-CD1 4.36Å; L332-I399 HydrophobicContact CD2-CG2 4.33Å
333	G	98.6	Very high	94.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59.6	-47.1	173.8	0	0	0	0	0	112.4	W329 W330 G331 T336 Y337	W329-G333 PolarHBondContact O-N 2.67Å; W330-G333 CarbonylContact O-C 3.33Å; W330-G333 WeakPolarHBondContact O-CA 3.46Å; W330-G333 PolarHBondContact O-N 2.88Å; G331-G333 VanDerWaalsContact C-N 3.31Å; G331-G333 PolarHBondContact O-N 2.81Å; G333-T336 PolarHBondContact O-OG1 2.82Å; G333-Y337 WeakPolarHBondContact O-CB 3.41Å; G333-Y337 PolarHBondContact O-N 3.49Å
334	V	98.4	Very high	95.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.1	-49.7	179.1	179	0	0	0	0	110.5	Y312 W330 G331 Y337 E338 L344 P345 L381	Y312-V334 HydrophobicContact CD1-CB 3.98Å; Y312-V334 HydrophobicContact CD1-CG1 3.35Å; Y312-V334 HydrophobicContact CE1-CB 4.46Å; Y312-V334 HydrophobicContact CE1-CG1 3.57Å; Y312-V334 HydrophobicContact CG-CG1 4.11Å; W330-V334 PolarHBondContact O-N 3.06Å; G331-V334 PolarHBondContact O-N 3.18Å; V334-Y337 PolarHBondContact O-N 3.39Å; V334-E338 WeakPolarHBondContact O-CB 3.22Å; V334-E338 PolarHBondContact O-N 3.12Å; V334-L344 HydrophobicContact CG1-CD2 4.02Å; V334-P345 HydrophobicContact CB-CG 4.4Å; V334-P345 HydrophobicContact CG1-CG 4.04Å; V334-P345 HydrophobicContact CG2-CG 4.14Å; V334-L381 HydrophobicContact CG2-CD2 3.87Å
335	V	98.2	Very high	96.3	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.6	-47	-179.5	159.5	0	0	0	0	111.8	I255 L272 L274 L277 Y312 G331 E338 M339	I255-V335 HydrophobicContact CD1-CG1 4.33Å; L272-V335 HydrophobicContact CG-CG2 4.19Å; L274-V335 HydrophobicContact CD2-CG1 3.95Å; L277-V335 HydrophobicContact CD1-CG1 3.69Å; L277-V335 HydrophobicContact CD1-CG2 4.4Å; Y312-V335 HydrophobicContact CD1-CG2 4.33Å; Y312-V335 HydrophobicContact CE1-CG2 4.05Å; G331-V335 WeakPolarHBondContact O-CB 3.48Å; G331-V335 WeakPolarHBondContact O-CG2 3.46Å; G331-V335 PolarHBondContact O-N 2.78Å; V335-E338 PolarHBondContact O-N 3.24Å; V335-M339 HydrophobicContact CG1-CE 3.29Å; V335-M339 WeakPolarHBondContact O-CG 3.46Å; V335-M339 PolarHBondContact O-N 3.4Å
336	T	98.3	Very high	96.8	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.006	8%	0.08	C	C	.	.	H	α-helix	trans	-71.5	-33.2	179.4	55.1	0	0	0	0	112.6	T248 L332 G333 E338 M339 M340 L377	T248-T336 HydrophobicContact CG2-CG2 3.94Å; L332-T336 HydrophobicContact CD1-CG2 3.88Å; L332-T336 HydrophobicContact CG-CG2 4.34Å; L332-T336 WeakPolarHBondContact O-CB 3.27Å; L332-T336 VanDerWaalsContact O-CG2 3.32Å; L332-T336 WeakPolarHBondContact O-CG2 3.1Å; L332-T336 PolarHBondContact O-N 2.99Å; L332-T336 PolarHBondContact O-OG1 3.43Å; G333-T336 PolarHBondContact O-OG1 2.82Å; T336-E338 VanDerWaalsContact C-N 3.34Å; T336-M339 PolarHBondContact O-N 3.29Å; T336-M340 WeakPolarHBondContact O-CE 3.31Å; T336-M340 WeakPolarHBondContact O-CG 3.19Å; T336-M340 PolarHBondContact O-N 2.8Å; T336-M340 VanDerWaalsContact O-N 3.11Å; T336-L377 WeakPolarHBondContact OG1-CD2 3.35Å
337	Y	98.6	Very high	96.9	Very high	4 Å²	4	21 Å²	21	2%	0.016	10%	0.103	C	C	.	.	H	α-helix	trans	-59.2	-49.2	170.2	-176.5	-79.8	0	0	0	110.1	G333 V334 M339 M340 C341 R343 P345 I363 K364 F365 L377	G333-Y337 WeakPolarHBondContact O-CB 3.41Å; G333-Y337 PolarHBondContact O-N 3.49Å; V334-Y337 PolarHBondContact O-N 3.39Å; Y337-M339 PolarHBondContact O-N 3.17Å; Y337-M340 PolarHBondContact O-N 2.77Å; Y337-C341 HydrophobicContact CD1-CB 3.93Å; Y337-C341 HydrophobicContact CE1-CB 3.61Å; Y337-C341 WeakPolarHBondContact O-CB 3.44Å; Y337-C341 PolarHBondContact O-N 3.11Å; Y337-C341 PolarHBondContact O-SG 3.31Å; Y337-C341 VanDerWaalsContact O-SG 3.35Å; Y337-R343 WeakPolarHBondContact CD1-O 3.21Å; Y337-R343 HydrophobicContact CE1-CG 4.27Å; Y337-R343 VanDerWaalsContact CE1-O 3.29Å; Y337-R343 WeakPolarHBondContact CE1-O 3.33Å; Y337-P345 HydrophobicContact CD1-CB 3.83Å; Y337-P345 HydrophobicContact CD1-CG 4.32Å; Y337-P345 HydrophobicContact CD2-CB 4.16Å; Y337-P345 HydrophobicContact CE1-CB 4.02Å; Y337-P345 HydrophobicContact CE2-CB 4.32Å; Y337-P345 HydrophobicContact CG-CB 3.93Å; Y337-P345 HydrophobicContact CG-CG 4.44Å; Y337-I363 HydrophobicContact CD2-CD1 3.61Å; Y337-I363 HydrophobicContact CD2-CG1 4.34Å; Y337-I363 HydrophobicContact CE2-CD1 3.68Å; Y337-I363 HydrophobicContact CE2-CG1 3.9Å; Y337-K364 PolarHBondContact OH-O 2.7Å; Y337-F365 HydrophobicContact CD2-CD1 4.41Å; Y337-F365 HydrophobicContact CD2-CE1 4.23Å; Y337-F365 AromaticContact CE2-CD1 3.98Å; Y337-F365 HydrophobicContact CE2-CD1 3.98Å; Y337-F365 HydrophobicContact CE2-CE1 4.13Å; Y337-L377 HydrophobicContact CD2-CD1 3.96Å
338	E	97.9	Very high	96.9	Very high	18 Å²	18	22.9 Å²	22.9	8%	0.084	11%	0.113	C	C	.	.	H	α-helix	trans	-63	-42.3	-178.3	-167.2	174.5	-168.7	0	0	111.7	L237 L274 Y312 V334 V335 T336 M340 G342 R343	L237-E338 HydrophobicContact CD2-CG 3.94Å; L274-E338 HydrophobicContact CD1-CB 4.31Å; L274-E338 HydrophobicContact CD1-CG 3.77Å; L274-E338 WeakPolarHBondContact CD1-OE2 3.26Å; Y312-E338 PolarHBondContact OH-OE2 3.1Å; V334-E338 WeakPolarHBondContact O-CB 3.22Å; V334-E338 PolarHBondContact O-N 3.12Å; V335-E338 PolarHBondContact O-N 3.24Å; T336-E338 VanDerWaalsContact C-N 3.34Å; E338-M340 PolarHBondContact O-N 3.07Å; E338-G342 VanDerWaalsContact O-CA 3.25Å; E338-G342 WeakPolarHBondContact O-CA 3.31Å; E338-G342 PolarHBondContact O-N 3.02Å; E338-R343 WeakPolarHBondContact CA-O 3.3Å
339	M	98.4	Very high	96.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58	-47	173.8	-70.2	-169.2	-146.6	0	0	112.5	L233 F243 T248 Y251 I255 L274 L277 V335 T336 Y337	L233-M339 HydrophobicContact CD2-CE 3.28Å; L233-M339 HydrophobicContact CD2-SD 4.04Å; F243-M339 HydrophobicContact CB-CB 4.39Å; F243-M339 HydrophobicContact CD2-CB 3.94Å; F243-M339 HydrophobicContact CD2-CG 3.78Å; F243-M339 HydrophobicContact CD2-SD 3.86Å; F243-M339 HydrophobicContact CE2-CG 4.21Å; F243-M339 HydrophobicContact CE2-SD 4.27Å; F243-M339 PolarHBondContact N-O 2.92Å; T248-M339 HydrophobicContact CG2-CB 3.92Å; T248-M339 HydrophobicContact CG2-SD 4.04Å; Y251-M339 HydrophobicContact CD2-SD 3.94Å; I255-M339 HydrophobicContact CD1-CE 4.22Å; L274-M339 HydrophobicContact CD2-CE 4.1Å; L274-M339 HydrophobicContact CD2-CG 4.21Å; L277-M339 HydrophobicContact CD1-CE 4.42Å; V335-M339 HydrophobicContact CG1-CE 3.29Å; V335-M339 WeakPolarHBondContact O-CG 3.46Å; V335-M339 PolarHBondContact O-N 3.4Å; T336-M339 PolarHBondContact O-N 3.29Å; Y337-M339 PolarHBondContact O-N 3.17Å
340	M	98.2	Very high	95.9	Very high	10 Å²	10	34 Å²	34	5%	0.049	17%	0.166	C	C	.	.	H	α-helix	trans	-84	-21	-175.3	-64.2	-178.8	-79.5	0	0	114.3	V242 E245 T248 T336 Y337 E338 L369 A373 L377 F404	V242-M340 WeakPolarHBondContact CG1-O 3.38Å; E245-M340 HydrophobicContact CB-SD 4.42Å; E245-M340 HydrophobicContact CG-CG 4.43Å; E245-M340 HydrophobicContact CG-SD 3.89Å; T248-M340 HydrophobicContact CG2-CE 4.17Å; T248-M340 HydrophobicContact CG2-CG 3.76Å; T248-M340 HydrophobicContact CG2-SD 4.16Å; T248-M340 WeakPolarHBondContact OG1-CG 3.25Å; T336-M340 WeakPolarHBondContact O-CE 3.31Å; T336-M340 WeakPolarHBondContact O-CG 3.19Å; T336-M340 PolarHBondContact O-N 2.8Å; T336-M340 VanDerWaalsContact O-N 3.11Å; Y337-M340 PolarHBondContact O-N 2.77Å; E338-M340 PolarHBondContact O-N 3.07Å; M340-L369 HydrophobicContact CB-CD2 3.69Å; M340-L369 HydrophobicContact CG-CD2 4.5Å; M340-L369 HydrophobicContact SD-CD2 4.23Å; M340-A373 HydrophobicContact CE-CB 4.42Å; M340-A373 HydrophobicContact SD-CB 3.92Å; M340-L377 HydrophobicContact CE-CD1 3.71Å; M340-L377 HydrophobicContact CE-CD2 3.8Å; M340-L377 HydrophobicContact CE-CG 3.86Å; M340-F404 HydrophobicContact SD-CE2 4.12Å; M340-F404 HydrophobicContact SD-CZ 4.05Å
341	C	97.5	Very high	95.1	Very high	20 Å²	20	38.4 Å²	38.4	14%	0.135	19%	0.187	C	C	.	.	H	α-helix	trans	-109.2	-16.3	-176.6	-58.8	0	0	0	0	113.6	Y337 R343 P366	Y337-C341 HydrophobicContact CD1-CB 3.93Å; Y337-C341 HydrophobicContact CE1-CB 3.61Å; Y337-C341 WeakPolarHBondContact O-CB 3.44Å; Y337-C341 PolarHBondContact O-N 3.11Å; Y337-C341 PolarHBondContact O-SG 3.31Å; Y337-C341 VanDerWaalsContact O-SG 3.35Å; C341-R343 HydrophobicContact CB-CG 4.27Å; C341-R343 PolarHBondContact O-N 2.91Å; C341-P366 HydrophobicContact CB-CG 4.36Å
342	G	95.8	Very high	94.3	Very high	36 Å²	36	45.1 Å²	45.1	37%	0.371	22%	0.218	S	C	.	.	S	Bend	trans	69.4	18.8	-177.4	0	0	0	0	0	114.5	R241 E338	R241-G342 WeakPolarHBondContact O-CA 3.34Å; E338-G342 VanDerWaalsContact O-CA 3.25Å; E338-G342 WeakPolarHBondContact O-CA 3.31Å; E338-G342 PolarHBondContact O-N 3.02Å
343	R	95.1	Very high	93.7	Very high	140 Å²	140	50.1 Å²	50.1	53%	0.528	24%	0.239	S	C	.	.	S	Bend	trans	-158.4	156	179.9	66.3	-175.8	-175.6	-162.4	0.5	110.4	Y337 E338 C341	Y337-R343 WeakPolarHBondContact CD1-O 3.21Å; Y337-R343 HydrophobicContact CE1-CG 4.27Å; Y337-R343 VanDerWaalsContact CE1-O 3.29Å; Y337-R343 WeakPolarHBondContact CE1-O 3.33Å; E338-R343 WeakPolarHBondContact CA-O 3.3Å; C341-R343 HydrophobicContact CB-CG 4.27Å; C341-R343 PolarHBondContact O-N 2.91Å
344	L	96	Very high	93.3	Very high	32 Å²	32	50.1 Å²	50.1	17%	0.168	24%	0.239	C	C	.	.			trans	-62.8	148.6	172.9	-69.1	164.3	0	0	0	112.1	E311 Y312 V334 F346 Y347	E311-L344 HydrophobicContact CB-CD1 3.74Å; E311-L344 HydrophobicContact CB-CD2 4.26Å; E311-L344 HydrophobicContact CG-CD1 3.74Å; Y312-L344 HydrophobicContact CE1-CD2 4.18Å; Y312-L344 HydrophobicContact CE2-CD2 4.13Å; V334-L344 HydrophobicContact CG1-CD2 4.02Å; L344-F346 VanDerWaalsContact C-N 3.33Å; L344-Y347 HydrophobicContact CD1-CD2 3.95Å
345	P	96.8	Very high	92.7	Very high	18 Å²	18	51.1 Å²	51.1	12%	0.117	24%	0.243	C	C	.	.	S	Bend	trans	-67.4	-33.8	176.5	27	-33.6	0	0	0	112.5	V334 Y337 I363 L381	V334-P345 HydrophobicContact CB-CG 4.4Å; V334-P345 HydrophobicContact CG1-CG 4.04Å; V334-P345 HydrophobicContact CG2-CG 4.14Å; Y337-P345 HydrophobicContact CD1-CB 3.83Å; Y337-P345 HydrophobicContact CD1-CG 4.32Å; Y337-P345 HydrophobicContact CD2-CB 4.16Å; Y337-P345 HydrophobicContact CE1-CB 4.02Å; Y337-P345 HydrophobicContact CE2-CB 4.32Å; Y337-P345 HydrophobicContact CG-CB 3.93Å; Y337-P345 HydrophobicContact CG-CG 4.44Å; P345-I363 HydrophobicContact CB-CD1 3.76Å; P345-I363 HydrophobicContact CB-CG1 4.32Å; P345-L381 HydrophobicContact CB-CD1 4.43Å
346	F	96.3	Very high	92.3	Very high	6 Å²	6	57 Å²	57	3%	0.026	27%	0.271	C	S	.	.	S	Bend	trans	-130.6	131.9	175.6	-50.6	-74.6	0	0	0	108.6	W330 L344 L354 L357 I358 E361 I363	W330-F346 AromaticContact CH2-CE2 3.75Å; W330-F346 HydrophobicContact CH2-CE2 3.75Å; W330-F346 HydrophobicContact CH2-CZ 4.4Å; W330-F346 HydrophobicContact CZ2-CD2 4.24Å; W330-F346 AromaticContact CZ2-CE2 3.76Å; W330-F346 HydrophobicContact CZ2-CE2 3.76Å; L344-F346 VanDerWaalsContact C-N 3.33Å; F346-L354 HydrophobicContact CB-CD1 4.14Å; F346-L357 HydrophobicContact CB-CB 4.25Å; F346-L357 HydrophobicContact CD1-CB 4.03Å; F346-L357 HydrophobicContact CG-CB 4.49Å; F346-I358 HydrophobicContact CB-CG1 3.88Å; F346-I358 HydrophobicContact CD2-CG1 3.95Å; F346-I358 HydrophobicContact CG-CG1 4.02Å; F346-E361 WeakPolarHBondContact CE1-O 3.42Å; F346-I363 HydrophobicContact CZ-CB 4.28Å
347	Y	93.6	Very high	91.9	Very high	137 Å²	137	58.9 Å²	58.9	54%	0.537	28%	0.281	S	S	.	.			trans	-151.9	132.3	178.9	-178.8	-101.2	0	0	0	110.9	L344	L344-Y347 HydrophobicContact CD1-CD2 3.95Å
348	N	91.2	Very high	91.7	Very high	50 Å²	50	58.7 Å²	58.7	27%	0.267	28%	0.28	S	S	.	.			trans	-153.4	146.6	166.9	-155.1	-70.9	0	0	0	108.9	D350 K353 L354 L357	N348-D350 PolarHBondContact O-N 3.04Å; N348-D350 WeakPolarHBondContact OD1-CB 3.24Å; N348-D350 PolarHBondContact OD1-N 2.83Å; N348-K353 HydrophobicContact CB-CB 4.1Å; N348-L354 HydrophobicContact CB-CB 4.11Å; N348-L357 HydrophobicContact CB-CD1 4.11Å
349	Q	87.4	Confident	91.2	Very high	170 Å²	170	58.6 Å²	58.6	79%	0.794	28%	0.28	S	S	*	.	S	Bend	trans	-67.9	-29.2	173.6	-68.2	-179.5	-13.4	0	0	112
350	D	84.1	Confident	90.8	Very high	64 Å²	64	64.8 Å²	64.8	34%	0.342	31%	0.311	S	S	.	.	S	Bend	trans	-88	115.5	175.4	-176.1	-15.3	0	0	0	109.5	N348 E352 K353 L354	N348-D350 PolarHBondContact O-N 3.04Å; N348-D350 WeakPolarHBondContact OD1-CB 3.24Å; N348-D350 PolarHBondContact OD1-N 2.83Å; D350-E352 VanDerWaalsContact C-N 3.26Å; D350-E352 PolarHBondContact O-N 3.49Å; D350-E352 PolarHBondContact OD1-N 3.43Å; D350-K353 HydrophobicContact CB-CB 4.17Å; D350-K353 HydrophobicContact CB-CD 4.05Å; D350-K353 HydrophobicContact CB-CG 4.09Å; D350-K353 PolarHBondContact O-N 3.22Å; D350-L354 PolarHBondContact O-N 2.83Å
351	H	81.4	Confident	90.5	Very high	96 Å²	96	67.4 Å²	67.4	44%	0.444	32%	0.323	S	S	.	.	H	α-helix	trans	-61	-33.2	-179	-71.1	-176.2	0	0	0	112.7	K353 L354 F355	H351-K353 VanDerWaalsContact C-N 3.32Å; H351-K353 PolarHBondContact O-N 3.21Å; H351-L354 PolarHBondContact O-N 3Å; H351-F355 HydrophobicContact CB-CE2 4.15Å; H351-F355 HydrophobicContact CB-CZ 4.23Å; H351-F355 WeakPolarHBondContact O-CB 3.19Å; H351-F355 WeakPolarHBondContact O-CD2 2.83Å; H351-F355 WeakPolarHBondContact O-CG 3.34Å; H351-F355 PolarHBondContact O-N 3.45Å
352	E	81	Confident	90.2	Very high	145 Å²	145	73 Å²	73	68%	0.678	35%	0.351	S	S	*	.	H	α-helix	trans	-65.3	-41.5	178.3	-65.1	-169.6	167.5	0	0	110.5	D350 E356	D350-E352 VanDerWaalsContact C-N 3.26Å; D350-E352 PolarHBondContact O-N 3.49Å; D350-E352 PolarHBondContact OD1-N 3.43Å; E352-E356 PolarHBondContact O-N 3.47Å; E352-E356 VanDerWaalsContact O-N 3.08Å
353	K	85.8	Confident	90.1	Very high	106 Å²	106	72.8 Å²	72.8	46%	0.461	34%	0.341	S	S	.	.	H	α-helix	trans	-67.9	-45.6	174	-65	-177.8	-172.3	171.5	0	111.2	N348 D350 H351 F355 E356 L357	N348-K353 HydrophobicContact CB-CB 4.1Å; D350-K353 HydrophobicContact CB-CB 4.17Å; D350-K353 HydrophobicContact CB-CD 4.05Å; D350-K353 HydrophobicContact CB-CG 4.09Å; D350-K353 PolarHBondContact O-N 3.22Å; H351-K353 VanDerWaalsContact C-N 3.32Å; H351-K353 PolarHBondContact O-N 3.21Å; K353-F355 VanDerWaalsContact C-N 3.26Å; K353-F355 PolarHBondContact O-N 3.02Å; K353-E356 WeakPolarHBondContact O-CA 3.31Å; K353-E356 WeakPolarHBondContact O-CB 3.45Å; K353-E356 PolarHBondContact O-N 3.2Å; K353-L357 VanDerWaalsContact O-CG 3.31Å; K353-L357 WeakPolarHBondContact O-CG 3.42Å; K353-L357 PolarHBondContact O-N 2.75Å
354	L	88.6	Confident	90.1	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-53.2	-47.3	176.9	173.8	61.3	0	0	0	111.1	P310 E311 F346 N348 D350 H351 E356 L357 I358	P310-L354 HydrophobicContact CB-CD2 3.91Å; E311-L354 HydrophobicContact CG-CD2 3.93Å; F346-L354 HydrophobicContact CB-CD1 4.14Å; N348-L354 HydrophobicContact CB-CB 4.11Å; D350-L354 PolarHBondContact O-N 2.83Å; H351-L354 PolarHBondContact O-N 3Å; L354-E356 VanDerWaalsContact C-N 3.34Å; L354-E356 PolarHBondContact O-N 3.47Å; L354-L357 WeakPolarHBondContact O-CB 3.31Å; L354-L357 PolarHBondContact O-N 2.69Å; L354-I358 HydrophobicContact CD1-CD1 4Å; L354-I358 HydrophobicContact CD1-CG1 4.31Å; L354-I358 HydrophobicContact CG-CD1 3.96Å; L354-I358 WeakPolarHBondContact O-CG1 3.38Å; L354-I358 PolarHBondContact O-N 3.1Å
355	F	87.6	Confident	90	Very high	20 Å²	20	73.5 Å²	73.5	9%	0.088	35%	0.347	C	S	.	.	H	α-helix	trans	-63.5	-38.6	177.3	-62.7	-24.4	0	0	0	112.5	I19 F306 P310 L318 H351 K353 I358 L359	I19-F355 HydrophobicContact CD1-CB 3.68Å; I19-F355 HydrophobicContact CD1-CD2 4.24Å; I19-F355 HydrophobicContact CD1-CG 4.16Å; I19-F355 HydrophobicContact CG1-CB 4.1Å; I19-F355 HydrophobicContact CG1-CD2 3.77Å; I19-F355 HydrophobicContact CG1-CG 4.2Å; F306-F355 HydrophobicContact CZ-CZ 4.45Å; P310-F355 HydrophobicContact CB-CE1 4.02Å; L318-F355 HydrophobicContact CD1-CB 4.22Å; L318-F355 HydrophobicContact CD1-CD1 3.81Å; L318-F355 HydrophobicContact CD1-CG 4.28Å; L318-F355 HydrophobicContact CD2-CD1 3.59Å; L318-F355 HydrophobicContact CD2-CE1 3.61Å; L318-F355 HydrophobicContact CD2-CG 4.25Å; L318-F355 HydrophobicContact CD2-CZ 4.29Å; L318-F355 HydrophobicContact CG-CD1 4.36Å; H351-F355 HydrophobicContact CB-CE2 4.15Å; H351-F355 HydrophobicContact CB-CZ 4.23Å; H351-F355 WeakPolarHBondContact O-CB 3.19Å; H351-F355 WeakPolarHBondContact O-CD2 2.83Å; H351-F355 WeakPolarHBondContact O-CG 3.34Å; H351-F355 PolarHBondContact O-N 3.45Å; K353-F355 VanDerWaalsContact C-N 3.26Å; K353-F355 PolarHBondContact O-N 3.02Å; F355-I358 PolarHBondContact O-N 2.77Å; F355-L359 WeakPolarHBondContact O-CB 3.19Å; F355-L359 VanDerWaalsContact O-CG 3.23Å; F355-L359 WeakPolarHBondContact O-CG 3.11Å; F355-L359 PolarHBondContact O-N 2.85Å
356	E	87.9	Confident	89.9	Confident	125 Å²	125	74 Å²	74	58%	0.584	35%	0.35	S	S	*	.	H	α-helix	trans	-60.9	-43.9	172.1	-173.1	-179.9	-173.9	0	0	111.9	E352 K353 L354 L359 M360	E352-E356 PolarHBondContact O-N 3.47Å; E352-E356 VanDerWaalsContact O-N 3.08Å; K353-E356 WeakPolarHBondContact O-CA 3.31Å; K353-E356 WeakPolarHBondContact O-CB 3.45Å; K353-E356 PolarHBondContact O-N 3.2Å; L354-E356 VanDerWaalsContact C-N 3.34Å; L354-E356 PolarHBondContact O-N 3.47Å; E356-L359 PolarHBondContact O-N 3.12Å; E356-M360 HydrophobicContact CG-CG 4.47Å; E356-M360 WeakPolarHBondContact O-CB 3.16Å; E356-M360 PolarHBondContact O-N 3.14Å
357	L	91.8	Very high	89.8	Confident	39 Å²	39	85.3 Å²	85.3	20%	0.204	39%	0.393	C	S	.	.	H	α-helix	trans	-60.5	-48.1	176.6	-56.8	172.1	0	0	0	110.7	F346 N348 K353 L354 L359 M360 E361 K383	F346-L357 HydrophobicContact CB-CB 4.25Å; F346-L357 HydrophobicContact CD1-CB 4.03Å; F346-L357 HydrophobicContact CG-CB 4.49Å; N348-L357 HydrophobicContact CB-CD1 4.11Å; K353-L357 VanDerWaalsContact O-CG 3.31Å; K353-L357 WeakPolarHBondContact O-CG 3.42Å; K353-L357 PolarHBondContact O-N 2.75Å; L354-L357 WeakPolarHBondContact O-CB 3.31Å; L354-L357 PolarHBondContact O-N 2.69Å; L357-L359 VanDerWaalsContact C-N 3.29Å; L357-L359 PolarHBondContact O-N 2.94Å; L357-M360 PolarHBondContact O-N 3.07Å; L357-E361 HydrophobicContact CB-CB 4.42Å; L357-E361 HydrophobicContact CD2-CB 4.37Å; L357-E361 WeakPolarHBondContact CD2-OE2 3.34Å; L357-E361 WeakPolarHBondContact O-CB 3.3Å; L357-E361 PolarHBondContact O-N 3.22Å; L357-K383 PolarHBondContact O-NZ 2.91Å
358	I	92.8	Very high	89.8	Confident	1 Å²	1	84.8 Å²	84.8	1%	0.005	40%	0.404	C	S	.	.	H	α-helix	trans	-60.1	-40.1	178.6	-67.2	167.3	0	0	0	111.1	P310 P315 L318 W330 F346 L354 F355 K383	P310-I358 WeakPolarHBondContact O-CD1 3.17Å; P315-I358 HydrophobicContact CG-CG2 3.92Å; L318-I358 HydrophobicContact CD1-CB 3.82Å; L318-I358 HydrophobicContact CD1-CD1 4.02Å; L318-I358 HydrophobicContact CD1-CG2 3.53Å; W330-I358 HydrophobicContact CH2-CG2 4.43Å; W330-I358 HydrophobicContact CZ2-CG2 3.95Å; F346-I358 HydrophobicContact CB-CG1 3.88Å; F346-I358 HydrophobicContact CD2-CG1 3.95Å; F346-I358 HydrophobicContact CG-CG1 4.02Å; L354-I358 HydrophobicContact CD1-CD1 4Å; L354-I358 HydrophobicContact CD1-CG1 4.31Å; L354-I358 HydrophobicContact CG-CD1 3.96Å; L354-I358 WeakPolarHBondContact O-CG1 3.38Å; L354-I358 PolarHBondContact O-N 3.1Å; F355-I358 PolarHBondContact O-N 2.77Å; I358-K383 PolarHBondContact O-NZ 2.91Å
359	L	88.9	Confident	90.1	Very high	16 Å²	16	82.8 Å²	82.8	8%	0.084	39%	0.393	C	S	.	.	H	α-helix	trans	-81	-32	-177.4	-69.9	177.7	0	0	0	114.5	I19 P315 L318 E319 F355 E356 L357 K383	I19-L359 HydrophobicContact CD1-CD1 3.46Å; I19-L359 VanDerWaalsContact CD1-CD1 3.46Å; I19-L359 HydrophobicContact CD1-CG 4.48Å; P315-L359 HydrophobicContact CB-CD2 3.93Å; L318-L359 HydrophobicContact CB-CD2 4.32Å; L318-L359 HydrophobicContact CD1-CG 4.4Å; E319-L359 HydrophobicContact CG-CD2 3.6Å; F355-L359 WeakPolarHBondContact O-CB 3.19Å; F355-L359 VanDerWaalsContact O-CG 3.23Å; F355-L359 WeakPolarHBondContact O-CG 3.11Å; F355-L359 PolarHBondContact O-N 2.85Å; E356-L359 PolarHBondContact O-N 3.12Å; L357-L359 VanDerWaalsContact C-N 3.29Å; L357-L359 PolarHBondContact O-N 2.94Å; L359-K383 WeakPolarHBondContact O-CD 3.47Å; L359-K383 WeakPolarHBondContact O-CE 3.39Å
360	M	88.6	Confident	90.6	Very high	130 Å²	130	76.7 Å²	76.7	64%	0.64	37%	0.369	S	S	*	.	H	α-helix	trans	-124.5	-33.7	-165.2	-58.5	-61.1	176.3	0	0	114.1	E356 L357	E356-M360 HydrophobicContact CG-CG 4.47Å; E356-M360 WeakPolarHBondContact O-CB 3.16Å; E356-M360 PolarHBondContact O-N 3.14Å; L357-M360 PolarHBondContact O-N 3.07Å
361	E	92.9	Very high	91.2	Very high	65 Å²	65	77.4 Å²	77.4	30%	0.304	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-80.2	133.7	-173.6	-166.1	175.8	-164.8	0	0	111.7	F346 L357 K364 K383	F346-E361 WeakPolarHBondContact CE1-O 3.42Å; L357-E361 HydrophobicContact CB-CB 4.42Å; L357-E361 HydrophobicContact CD2-CB 4.37Å; L357-E361 WeakPolarHBondContact CD2-OE2 3.34Å; L357-E361 WeakPolarHBondContact O-CB 3.3Å; L357-E361 PolarHBondContact O-N 3.22Å; E361-K364 VanDerWaalsContact OE1-CE 3.29Å; E361-K364 WeakPolarHBondContact OE1-CE 3.45Å; E361-K364 IonicContact OE1-NZ 2.84Å; E361-K364 PolarHBondContact OE1-NZ 2.86Å; E361-K383 WeakPolarHBondContact O-CE 3.33Å; E361-K383 PolarHBondContact O-NZ 3.5Å
362	D	91	Very high	92	Very high	136 Å²	136	76.2 Å²	76.2	73%	0.727	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-69.7	139.2	171.2	-70.6	-34.7	0	0	0	111
363	I	93.4	Very high	92.9	Very high	32 Å²	32	69.3 Å²	69.3	16%	0.164	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-65	139.1	179.6	-172.7	164.7	0	0	0	111.9	Y337 P345 F346 F365 L381	Y337-I363 HydrophobicContact CD2-CD1 3.61Å; Y337-I363 HydrophobicContact CD2-CG1 4.34Å; Y337-I363 HydrophobicContact CE2-CD1 3.68Å; Y337-I363 HydrophobicContact CE2-CG1 3.9Å; P345-I363 HydrophobicContact CB-CD1 3.76Å; P345-I363 HydrophobicContact CB-CG1 4.32Å; F346-I363 HydrophobicContact CZ-CB 4.28Å; I363-F365 HydrophobicContact CB-CZ 4.35Å; I363-F365 HydrophobicContact CD1-CE1 3.9Å; I363-F365 HydrophobicContact CD1-CZ 4.14Å; I363-F365 HydrophobicContact CG1-CE1 4.03Å; I363-F365 HydrophobicContact CG1-CZ 4.11Å; I363-F365 HydrophobicContact CG2-CE1 4.18Å; I363-F365 HydrophobicContact CG2-CE2 3.7Å; I363-F365 HydrophobicContact CG2-CZ 3.39Å; I363-L381 HydrophobicContact CD1-CB 4.18Å; I363-L381 HydrophobicContact CD1-CD1 3.18Å; I363-L381 HydrophobicContact CD1-CG 4.27Å
364	K	94.1	Very high	93.5	Very high	131 Å²	131	67.4 Å²	67.4	57%	0.57	34%	0.34	S	S	*	.			trans	-106.7	130.6	179	-64.6	174.7	-169.7	157	0	110.8	Y337 E361	Y337-K364 PolarHBondContact OH-O 2.7Å; E361-K364 VanDerWaalsContact OE1-CE 3.29Å; E361-K364 WeakPolarHBondContact OE1-CE 3.45Å; E361-K364 IonicContact OE1-NZ 2.84Å; E361-K364 PolarHBondContact OE1-NZ 2.86Å
365	F	95.8	Very high	93.9	Very high	56 Å²	56	70.2 Å²	70.2	25%	0.246	36%	0.36	C	S	.	.			trans	-106.4	135.3	179.9	-59.4	-67.3	0	0	0	112.2	Y337 I363 L369 K374 L377 S378	Y337-F365 HydrophobicContact CD2-CD1 4.41Å; Y337-F365 HydrophobicContact CD2-CE1 4.23Å; Y337-F365 AromaticContact CE2-CD1 3.98Å; Y337-F365 HydrophobicContact CE2-CD1 3.98Å; Y337-F365 HydrophobicContact CE2-CE1 4.13Å; I363-F365 HydrophobicContact CB-CZ 4.35Å; I363-F365 HydrophobicContact CD1-CE1 3.9Å; I363-F365 HydrophobicContact CD1-CZ 4.14Å; I363-F365 HydrophobicContact CG1-CE1 4.03Å; I363-F365 HydrophobicContact CG1-CZ 4.11Å; I363-F365 HydrophobicContact CG2-CE1 4.18Å; I363-F365 HydrophobicContact CG2-CE2 3.7Å; I363-F365 HydrophobicContact CG2-CZ 3.39Å; F365-L369 HydrophobicContact CB-CD1 4.28Å; F365-L369 HydrophobicContact CD1-CD1 3.93Å; F365-K374 HydrophobicContact CB-CD 4.41Å; F365-K374 HydrophobicContact CB-CG 4.14Å; F365-K374 HydrophobicContact CD1-CG 4.49Å; F365-K374 HydrophobicContact CD2-CG 4.47Å; F365-K374 HydrophobicContact CG-CG 4.11Å; F365-L377 HydrophobicContact CD1-CD1 4.2Å; F365-L377 HydrophobicContact CE1-CB 3.58Å; F365-L377 HydrophobicContact CE1-CD1 3.94Å; F365-L377 HydrophobicContact CE1-CG 4.44Å; F365-L377 HydrophobicContact CZ-CB 4.08Å; F365-S378 WeakPolarHBondContact CE2-OG 3.4Å; F365-S378 VanDerWaalsContact CZ-OG 3.3Å; F365-S378 WeakPolarHBondContact CZ-OG 3.12Å
366	P	93.9	Very high	94.5	Very high	29 Å²	29	69.3 Å²	69.3	19%	0.188	36%	0.356	C	S	.	.			trans	-57.7	149.2	164.7	-23.3	34.3	0	0	0	111.8	C341 T368 L369 K374	C341-P366 HydrophobicContact CB-CG 4.36Å; P366-T368 WeakPolarHBondContact CB-OG1 3.03Å; P366-T368 PolarHBondContact O-N 2.81Å; P366-L369 PolarHBondContact O-N 2.86Å; P366-K374 WeakPolarHBondContact O-CE 3.36Å
367	R	93.2	Very high	95	Very high	244 Å²	244	63.3 Å²	63.3	92%	0.921	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-23.1	176.4	-66.6	-176	-177.5	-176.9	0.8	112.7	L369	R367-L369 VanDerWaalsContact C-N 3.32Å; R367-L369 PolarHBondContact O-N 2.84Å
368	T	93.9	Very high	95.3	Very high	125 Å²	125	63.8 Å²	63.8	77%	0.767	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-21.5	-177.6	49.5	0	0	0	0	114.2	P366	P366-T368 WeakPolarHBondContact CB-OG1 3.03Å; P366-T368 PolarHBondContact O-N 2.81Å
369	L	97.1	Very high	95.5	Very high	9 Å²	9	64.4 Å²	64.4	5%	0.047	34%	0.342	C	S	.	.	S	Bend	trans	-71.4	139	178.4	-69.6	177.9	0	0	0	111.7	M340 F365 P366 R367 A373 K374 L377	M340-L369 HydrophobicContact CB-CD2 3.69Å; M340-L369 HydrophobicContact CG-CD2 4.5Å; M340-L369 HydrophobicContact SD-CD2 4.23Å; F365-L369 HydrophobicContact CB-CD1 4.28Å; F365-L369 HydrophobicContact CD1-CD1 3.93Å; P366-L369 PolarHBondContact O-N 2.86Å; R367-L369 VanDerWaalsContact C-N 3.32Å; R367-L369 PolarHBondContact O-N 2.84Å; L369-A373 HydrophobicContact CB-CB 4.44Å; L369-A373 HydrophobicContact CD2-CB 4.3Å; L369-K374 HydrophobicContact CB-CD 4.44Å; L369-K374 HydrophobicContact CB-CG 3.88Å; L369-K374 HydrophobicContact CD1-CG 4.4Å; L369-K374 WeakPolarHBondContact O-CE 3.45Å; L369-K374 PolarHBondContact O-NZ 3.07Å; L369-L377 HydrophobicContact CD1-CD1 3.83Å
370	S	98.1	Very high	96	Very high	41 Å²	41	63.7 Å²	63.7	29%	0.287	34%	0.338	S	S	.	.			trans	-62.9	163.8	173.1	75.8	0	0	0	0	112.1	E245 D372 A373 K374	E245-S370 VanDerWaalsContact CD-OG 3.32Å; E245-S370 WeakPolarHBondContact OE1-CB 3.32Å; E245-S370 PolarHBondContact OE1-N 3.06Å; E245-S370 PolarHBondContact OE1-OG 2.86Å; E245-S370 VanDerWaalsContact OE2-CB 3.22Å; E245-S370 WeakPolarHBondContact OE2-CB 3.42Å; E245-S370 PolarHBondContact OE2-OG 3.46Å; S370-D372 VanDerWaalsContact C-N 3.3Å; S370-D372 PolarHBondContact O-N 2.89Å; S370-A373 PolarHBondContact O-N 2.91Å; S370-A373 WeakPolarHBondContact OG-CB 3.41Å; S370-A373 PolarHBondContact OG-N 2.86Å; S370-K374 WeakPolarHBondContact O-CB 3.47Å; S370-K374 WeakPolarHBondContact O-CG 3.46Å; S370-K374 PolarHBondContact O-N 2.71Å
371	A	98.1	Very high	96.4	Very high	80 Å²	80	57.9 Å²	57.9	66%	0.661	31%	0.309	S	S	*	.	H	α-helix	trans	-62.5	-39.5	175.4	0	0	0	0	0	111.5	K374 S375	A371-K374 PolarHBondContact O-N 3.2Å; A371-S375 WeakPolarHBondContact O-CB 3.36Å; A371-S375 PolarHBondContact O-N 2.93Å
372	D	98.1	Very high	96.6	Very high	71 Å²	71	57.6 Å²	57.6	38%	0.38	31%	0.309	S	S	.	.	H	α-helix	trans	-67.9	-42	179	-70.1	-35.2	0	0	0	112.2	S370 S375 L376 H402 S403 F404	S370-D372 VanDerWaalsContact C-N 3.3Å; S370-D372 PolarHBondContact O-N 2.89Å; D372-S375 PolarHBondContact O-N 3.09Å; D372-L376 PolarHBondContact O-N 2.98Å; D372-H402 PolarHBondContact O-CE1 3.04Å; D372-S403 VanDerWaalsContact OD1-CB 3.29Å; D372-S403 WeakPolarHBondContact OD1-CB 3.41Å; D372-S403 PolarHBondContact OD1-OG 3.45Å; D372-F404 HydrophobicContact CB-CB 4.31Å; D372-F404 HydrophobicContact CB-CD2 4.34Å
373	A	98.4	Very high	96.8	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.1	-45.6	175.3	0	0	0	0	0	111.4	E245 M340 L369 S370 S375 L376 L377 F404	E245-A373 HydrophobicContact CG-CB 4.48Å; M340-A373 HydrophobicContact CE-CB 4.42Å; M340-A373 HydrophobicContact SD-CB 3.92Å; L369-A373 HydrophobicContact CB-CB 4.44Å; L369-A373 HydrophobicContact CD2-CB 4.3Å; S370-A373 PolarHBondContact O-N 2.91Å; S370-A373 WeakPolarHBondContact OG-CB 3.41Å; S370-A373 PolarHBondContact OG-N 2.86Å; A373-S375 VanDerWaalsContact C-N 3.33Å; A373-S375 PolarHBondContact O-N 3.31Å; A373-L376 PolarHBondContact O-N 2.8Å; A373-L377 WeakPolarHBondContact O-CB 3.27Å; A373-L377 VanDerWaalsContact O-CG 3.25Å; A373-L377 WeakPolarHBondContact O-CG 3.19Å; A373-L377 PolarHBondContact O-N 3.06Å; A373-F404 HydrophobicContact CB-CD2 4.09Å; A373-F404 HydrophobicContact CB-CE2 3.88Å
374	K	98.4	Very high	96.5	Very high	65 Å²	65	54.8 Å²	54.8	28%	0.283	29%	0.292	S	S	.	.	H	α-helix	trans	-60.8	-42.5	175.3	-73.5	173.3	-174.4	151	0	111.6	F365 P366 L369 S370 A371 S378	F365-K374 HydrophobicContact CB-CD 4.41Å; F365-K374 HydrophobicContact CB-CG 4.14Å; F365-K374 HydrophobicContact CD1-CG 4.49Å; F365-K374 HydrophobicContact CD2-CG 4.47Å; F365-K374 HydrophobicContact CG-CG 4.11Å; P366-K374 WeakPolarHBondContact O-CE 3.36Å; L369-K374 HydrophobicContact CB-CD 4.44Å; L369-K374 HydrophobicContact CB-CG 3.88Å; L369-K374 HydrophobicContact CD1-CG 4.4Å; L369-K374 WeakPolarHBondContact O-CE 3.45Å; L369-K374 PolarHBondContact O-NZ 3.07Å; S370-K374 WeakPolarHBondContact O-CB 3.47Å; S370-K374 WeakPolarHBondContact O-CG 3.46Å; S370-K374 PolarHBondContact O-N 2.71Å; A371-K374 PolarHBondContact O-N 3.2Å; K374-S378 WeakPolarHBondContact O-CB 2.9Å; K374-S378 PolarHBondContact O-N 3.44Å; K374-S378 PolarHBondContact O-OG 3.45Å
375	S	98.5	Very high	96.2	Very high	60 Å²	60	50 Å²	50	42%	0.42	28%	0.275	S	S	.	.	H	α-helix	trans	-60.8	-47.9	177.2	-178	0	0	0	0	111.4	A371 D372 A373 S378 G379 H402	A371-S375 WeakPolarHBondContact O-CB 3.36Å; A371-S375 PolarHBondContact O-N 2.93Å; D372-S375 PolarHBondContact O-N 3.09Å; A373-S375 VanDerWaalsContact C-N 3.33Å; A373-S375 PolarHBondContact O-N 3.31Å; S375-S378 PolarHBondContact O-N 3.08Å; S375-G379 PolarHBondContact O-N 3.11Å; S375-H402 PolarHBondContact OG-NE2 3.19Å
376	L	98.7	Very high	95.8	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-60.1	-53.4	178.7	178.9	67.6	0	0	0	110.9	D372 A373 S378 G379 L380 L389 I399 H402 F404 F405	D372-L376 PolarHBondContact O-N 2.98Å; A373-L376 PolarHBondContact O-N 2.8Å; L376-S378 VanDerWaalsContact C-N 3.33Å; L376-S378 PolarHBondContact O-N 2.94Å; L376-G379 PolarHBondContact O-N 3.09Å; L376-G379 VanDerWaalsContact O-N 3.14Å; L376-L380 HydrophobicContact CD1-CD1 3.85Å; L376-L380 HydrophobicContact CD1-CG 4.13Å; L376-L380 HydrophobicContact CD2-CD1 4.33Å; L376-L380 HydrophobicContact CG-CD1 3.79Å; L376-L380 HydrophobicContact CG-CG 4.36Å; L376-L380 WeakPolarHBondContact O-CG 3.23Å; L376-L380 PolarHBondContact O-N 3.38Å; L376-L389 HydrophobicContact CD1-CD2 3.74Å; L376-I399 HydrophobicContact CD1-CG2 4.37Å; L376-H402 VanDerWaalsContact CA-CE1 3.46Å; L376-H402 WeakPolarHBondContact CA-CE1 3.45Å; L376-H402 HydrophobicContact CD1-CB 4.34Å; L376-H402 PolarHBondContact N-CE1 3.07Å; L376-H402 PolarHBondContact N-NE2 3.42Å; L376-F404 HydrophobicContact CB-CB 4.01Å; L376-F404 HydrophobicContact CB-CG 4.31Å; L376-F404 HydrophobicContact CD2-CB 3.98Å; L376-F404 HydrophobicContact CD2-CD1 3.34Å; L376-F404 HydrophobicContact CD2-CD2 4.45Å; L376-F404 HydrophobicContact CD2-CE1 3.85Å; L376-F404 HydrophobicContact CD2-CG 3.67Å; L376-F404 HydrophobicContact CG-CB 4.46Å; L376-F405 HydrophobicContact CD1-CE2 4.03Å; L376-F405 HydrophobicContact CD2-CE2 3.87Å; L376-F405 HydrophobicContact CD2-CZ 4.16Å
377	L	98.6	Very high	95.7	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-63.3	-39.9	-178	-66.3	172.7	0	0	0	111.9	T336 Y337 M340 F365 L369 A373 G379 L380 L381	T336-L377 WeakPolarHBondContact OG1-CD2 3.35Å; Y337-L377 HydrophobicContact CD2-CD1 3.96Å; M340-L377 HydrophobicContact CE-CD1 3.71Å; M340-L377 HydrophobicContact CE-CD2 3.8Å; M340-L377 HydrophobicContact CE-CG 3.86Å; F365-L377 HydrophobicContact CD1-CD1 4.2Å; F365-L377 HydrophobicContact CE1-CB 3.58Å; F365-L377 HydrophobicContact CE1-CD1 3.94Å; F365-L377 HydrophobicContact CE1-CG 4.44Å; F365-L377 HydrophobicContact CZ-CB 4.08Å; L369-L377 HydrophobicContact CD1-CD1 3.83Å; A373-L377 WeakPolarHBondContact O-CB 3.27Å; A373-L377 VanDerWaalsContact O-CG 3.25Å; A373-L377 WeakPolarHBondContact O-CG 3.19Å; A373-L377 PolarHBondContact O-N 3.06Å; L377-G379 VanDerWaalsContact C-N 3.27Å; L377-G379 PolarHBondContact O-N 2.81Å; L377-L380 PolarHBondContact O-N 3.07Å; L377-L381 VanDerWaalsContact O-CB 3.29Å; L377-L381 WeakPolarHBondContact O-CB 3.36Å; L377-L381 PolarHBondContact O-N 2.82Å
378	S	98	Very high	95.9	Very high	49 Å²	49	47.3 Å²	47.3	34%	0.343	27%	0.272	S	S	.	.	H	α-helix	trans	-62.8	-36.1	176.2	-59.6	0	0	0	0	111.5	F365 K374 S375 L376 I382	F365-S378 WeakPolarHBondContact CE2-OG 3.4Å; F365-S378 VanDerWaalsContact CZ-OG 3.3Å; F365-S378 WeakPolarHBondContact CZ-OG 3.12Å; K374-S378 WeakPolarHBondContact O-CB 2.9Å; K374-S378 PolarHBondContact O-N 3.44Å; K374-S378 PolarHBondContact O-OG 3.45Å; S375-S378 PolarHBondContact O-N 3.08Å; L376-S378 VanDerWaalsContact C-N 3.33Å; L376-S378 PolarHBondContact O-N 2.94Å; S378-I382 WeakPolarHBondContact O-CG1 3.35Å
379	G	98.3	Very high	96.1	Very high	14 Å²	14	42.9 Å²	42.9	14%	0.144	24%	0.244	C	C	.	.	H	α-helix	trans	-74.1	-42.8	176.7	0	0	0	0	0	113.8	S375 L376 L377 I382 R388 L389	S375-G379 PolarHBondContact O-N 3.11Å; L376-G379 PolarHBondContact O-N 3.09Å; L376-G379 VanDerWaalsContact O-N 3.14Å; L377-G379 VanDerWaalsContact C-N 3.27Å; L377-G379 PolarHBondContact O-N 2.81Å; G379-I382 WeakPolarHBondContact O-CG1 3.28Å; G379-R388 WeakPolarHBondContact O-CG 3.21Å; G379-L389 PolarHBondContact O-N 3.4Å
380	L	98.6	Very high	96	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-70.6	-31	179.3	-68.8	174.5	0	0	0	112.7	W329 L332 L376 L377 R388 L389 I399	W329-L380 HydrophobicContact CB-CD2 4.09Å; L332-L380 HydrophobicContact CD2-CD1 4.06Å; L332-L380 HydrophobicContact CD2-CD2 4.27Å; L332-L380 HydrophobicContact CG-CD1 4.05Å; L376-L380 HydrophobicContact CD1-CD1 3.85Å; L376-L380 HydrophobicContact CD1-CG 4.13Å; L376-L380 HydrophobicContact CD2-CD1 4.33Å; L376-L380 HydrophobicContact CG-CD1 3.79Å; L376-L380 HydrophobicContact CG-CG 4.36Å; L376-L380 WeakPolarHBondContact O-CG 3.23Å; L376-L380 PolarHBondContact O-N 3.38Å; L377-L380 PolarHBondContact O-N 3.07Å; L380-R388 WeakPolarHBondContact O-CD 3.48Å; L380-R388 VanDerWaalsContact O-CG 3.25Å; L380-R388 WeakPolarHBondContact O-CG 3.29Å; L380-R388 PolarHBondContact O-NE 3.19Å; L380-L389 HydrophobicContact CD2-CB 4.35Å; L380-L389 HydrophobicContact CD2-CD2 4.28Å; L380-L389 HydrophobicContact CG-CD2 4.38Å; L380-I399 HydrophobicContact CD2-CD1 3.77Å; L380-I399 HydrophobicContact CD2-CG1 4.03Å
381	L	98.3	Very high	95.6	Very high	9 Å²	9	41.3 Å²	41.3	5%	0.047	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	25.7	-176.9	-61.1	170	0	0	0	112.8	W330 V334 P345 I363 L377	W330-L381 HydrophobicContact CD2-CD2 3.75Å; W330-L381 HydrophobicContact CE3-CB 4.45Å; W330-L381 HydrophobicContact CE3-CD2 3.82Å; W330-L381 HydrophobicContact CG-CD2 4.31Å; W330-L381 HydrophobicContact CH2-CD2 4.25Å; W330-L381 HydrophobicContact CZ2-CD2 4.17Å; W330-L381 HydrophobicContact CZ3-CB 4.17Å; W330-L381 HydrophobicContact CZ3-CD2 4.08Å; W330-L381 WeakPolarHBondContact CZ3-O 3.37Å; V334-L381 HydrophobicContact CG2-CD2 3.87Å; P345-L381 HydrophobicContact CB-CD1 4.43Å; I363-L381 HydrophobicContact CD1-CB 4.18Å; I363-L381 HydrophobicContact CD1-CD1 3.18Å; I363-L381 HydrophobicContact CD1-CG 4.27Å; L377-L381 VanDerWaalsContact O-CB 3.29Å; L377-L381 WeakPolarHBondContact O-CB 3.36Å; L377-L381 PolarHBondContact O-N 2.82Å
382	I	97.1	Very high	95	Very high	58 Å²	58	38.3 Å²	38.3	30%	0.297	21%	0.213	S	C	.	.			trans	-67.9	131.4	165.9	-65.1	-178.8	0	0	0	108.9	S378 G379 D384 K387 R388	S378-I382 WeakPolarHBondContact O-CG1 3.35Å; G379-I382 WeakPolarHBondContact O-CG1 3.28Å; I382-D384 HydrophobicContact CG2-CB 4.33Å; I382-D384 WeakPolarHBondContact CG2-O 3.39Å; I382-K387 VanDerWaalsContact CD1-O 3.27Å; I382-K387 WeakPolarHBondContact CD1-O 3.37Å; I382-K387 HydrophobicContact CG2-CB 3.92Å; I382-R388 HydrophobicContact CB-CB 4.25Å; I382-R388 HydrophobicContact CB-CG 4.49Å; I382-R388 VanDerWaalsContact O-CZ 3.31Å; I382-R388 PolarHBondContact O-NE 3.26Å; I382-R388 PolarHBondContact O-NH2 3.29Å
383	K	93.4	Very high	94.4	Very high	52 Å²	52	40.5 Å²	40.5	23%	0.226	23%	0.231	C	C	.	.	S	Bend	trans	-70.5	-35.1	-176.1	-54	-170.7	-171.3	-69.6	0	113.5	P315 L357 I358 L359 E361 P385 R388	P315-K383 HydrophobicContact CB-CB 4.4Å; P315-K383 HydrophobicContact CG-CB 4.08Å; P315-K383 HydrophobicContact CG-CG 4.29Å; L357-K383 PolarHBondContact O-NZ 2.91Å; I358-K383 PolarHBondContact O-NZ 2.91Å; L359-K383 WeakPolarHBondContact O-CD 3.47Å; L359-K383 WeakPolarHBondContact O-CE 3.39Å; E361-K383 WeakPolarHBondContact O-CE 3.33Å; E361-K383 PolarHBondContact O-NZ 3.5Å; K383-P385 WeakPolarHBondContact O-CD 3.28Å; K383-R388 PolarHBondContact O-NH2 3.17Å
384	D	88.2	Confident	94	Very high	58 Å²	58	44 Å²	44	31%	0.31	25%	0.247	S	C	.	.	S	Bend	trans	-78	112.4	174.3	-178.1	-7.6	0	0	0	110.2	I382 N386 K387 R388	I382-D384 HydrophobicContact CG2-CB 4.33Å; I382-D384 WeakPolarHBondContact CG2-O 3.39Å; D384-N386 PolarHBondContact O-N 3.26Å; D384-N386 PolarHBondContact OD1-N 3.14Å; D384-N386 VanDerWaalsContact OD1-N 3.11Å; D384-K387 HydrophobicContact CB-CB 4.28Å; D384-K387 HydrophobicContact CB-CD 4.27Å; D384-K387 HydrophobicContact CB-CG 4.38Å; D384-K387 PolarHBondContact O-N 3.39Å; D384-K387 VanDerWaalsContact O-N 3.08Å; D384-K387 WeakPolarHBondContact OD2-CD 3.49Å; D384-K387 WeakPolarHBondContact OD2-CE 3.49Å; D384-K387 IonicContact OD2-NZ 3.93Å; D384-R388 PolarHBondContact O-N 2.88Å; D384-R388 VanDerWaalsContact O-N 3.07Å
385	P	88.3	Confident	93.8	Very high	31 Å²	31	41.4 Å²	41.4	20%	0.201	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-27.5	-176	24.7	-34.2	0	0	0	113.4	E316 A326 K383 K387 R388 G391	E316-P385 HydrophobicContact CB-CG 4.34Å; E316-P385 HydrophobicContact CG-CG 4.3Å; A326-P385 HydrophobicContact CB-CB 3.81Å; K383-P385 WeakPolarHBondContact O-CD 3.28Å; P385-K387 VanDerWaalsContact C-N 3.28Å; P385-K387 PolarHBondContact O-N 3.06Å; P385-R388 WeakPolarHBondContact O-CB 3.24Å; P385-R388 PolarHBondContact O-N 3.06Å; P385-G391 WeakPolarHBondContact O-CA 3.42Å
386	N	86.9	Confident	93.8	Very high	120 Å²	120	38.5 Å²	38.5	64%	0.642	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-18.8	179.8	-64.4	-43.4	0	0	0	113	D384	D384-N386 PolarHBondContact O-N 3.26Å; D384-N386 PolarHBondContact OD1-N 3.14Å; D384-N386 VanDerWaalsContact OD1-N 3.11Å
387	K	92.5	Very high	93.7	Very high	149 Å²	149	43.3 Å²	43.3	65%	0.648	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-11.3	176.3	-64.3	178.8	-173.6	171.8	0	112.4	I382 D384 P385	I382-K387 VanDerWaalsContact CD1-O 3.27Å; I382-K387 WeakPolarHBondContact CD1-O 3.37Å; I382-K387 HydrophobicContact CG2-CB 3.92Å; D384-K387 HydrophobicContact CB-CB 4.28Å; D384-K387 HydrophobicContact CB-CD 4.27Å; D384-K387 HydrophobicContact CB-CG 4.38Å; D384-K387 PolarHBondContact O-N 3.39Å; D384-K387 VanDerWaalsContact O-N 3.08Å; D384-K387 WeakPolarHBondContact OD2-CD 3.49Å; D384-K387 WeakPolarHBondContact OD2-CE 3.49Å; D384-K387 IonicContact OD2-NZ 3.93Å; P385-K387 VanDerWaalsContact C-N 3.28Å; P385-K387 PolarHBondContact O-N 3.06Å
388	R	97.1	Very high	93.7	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.011	25%	0.249	C	C	.	.	S	Bend	trans	-64.9	142	179.2	-168.7	178.3	-64.7	146.7	7.5	110.2	E316 A326 G379 L380 I382 K383 D384 P385 G390 G391	E316-R388 IonicContact OE1-CZ 3.8Å; E316-R388 IonicContact OE1-NH1 3.26Å; E316-R388 PolarHBondContact OE1-NH1 2.93Å; E316-R388 IonicContact OE1-NH2 3.49Å; E316-R388 IonicContact OE2-CZ 3.06Å; E316-R388 IonicContact OE2-NH1 2.81Å; E316-R388 PolarHBondContact OE2-NH1 2.78Å; E316-R388 IonicContact OE2-NH2 2.67Å; E316-R388 PolarHBondContact OE2-NH2 3.22Å; A326-R388 PolarHBondContact O-NH1 3.26Å; G379-R388 WeakPolarHBondContact O-CG 3.21Å; L380-R388 WeakPolarHBondContact O-CD 3.48Å; L380-R388 VanDerWaalsContact O-CG 3.25Å; L380-R388 WeakPolarHBondContact O-CG 3.29Å; L380-R388 PolarHBondContact O-NE 3.19Å; I382-R388 HydrophobicContact CB-CB 4.25Å; I382-R388 HydrophobicContact CB-CG 4.49Å; I382-R388 VanDerWaalsContact O-CZ 3.31Å; I382-R388 PolarHBondContact O-NE 3.26Å; I382-R388 PolarHBondContact O-NH2 3.29Å; K383-R388 PolarHBondContact O-NH2 3.17Å; D384-R388 PolarHBondContact O-N 2.88Å; D384-R388 VanDerWaalsContact O-N 3.07Å; P385-R388 WeakPolarHBondContact O-CB 3.24Å; P385-R388 PolarHBondContact O-N 3.06Å; R388-G390 PolarHBondContact O-N 3.01Å; R388-G391 WeakPolarHBondContact O-CA 3.35Å; R388-G391 PolarHBondContact O-N 2.93Å
389	L	97.9	Very high	93.7	Very high	32 Å²	32	43.4 Å²	43.4	17%	0.168	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	123.8	173.6	-176.1	69.6	0	0	0	109.6	L376 G379 L380 G391 E398 I399 H402	L376-L389 HydrophobicContact CD1-CD2 3.74Å; G379-L389 PolarHBondContact O-N 3.4Å; L380-L389 HydrophobicContact CD2-CB 4.35Å; L380-L389 HydrophobicContact CD2-CD2 4.28Å; L380-L389 HydrophobicContact CG-CD2 4.38Å; L389-G391 VanDerWaalsContact C-N 3.3Å; L389-E398 HydrophobicContact CD1-CB 4.01Å; L389-I399 HydrophobicContact CD2-CG1 4.05Å; L389-I399 HydrophobicContact CG-CG1 3.82Å; L389-H402 HydrophobicContact CD2-CB 4.41Å
390	G	95.1	Very high	93.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	-1.6	-172.3	0	0	0	0	0	114.4	W329 R388 G392 D395 E398	W329-G390 PolarHBondContact NE1-O 2.9Å; R388-G390 PolarHBondContact O-N 3.01Å; G390-G392 VanDerWaalsContact C-N 3.34Å; G390-D395 WeakPolarHBondContact CA-O 3.43Å; G390-D395 WeakPolarHBondContact O-CA 3.42Å; G390-E398 WeakPolarHBondContact CA-OE2 3.48Å; G390-E398 PolarHBondContact N-OE2 2.64Å
391	G	88.9	Confident	93.7	Very high	17 Å²	17	52.2 Å²	52.2	18%	0.175	26%	0.263	C	S	.	.			trans	-77.1	-19.9	174.4	0	0	0	0	0	113.8	P385 R388 L389	P385-G391 WeakPolarHBondContact O-CA 3.42Å; R388-G391 WeakPolarHBondContact O-CA 3.35Å; R388-G391 PolarHBondContact O-N 2.93Å; L389-G391 VanDerWaalsContact C-N 3.3Å
392	G	86.6	Confident	93.7	Very high	17 Å²	17	53.1 Å²	53.1	18%	0.175	27%	0.267	C	S	.	.	S	Bend	trans	-74.3	179.2	178	0	0	0	0	0	113.9	R325 G390 E394 D395 E398	R325-G392 PolarHBondContact NH2-O 2.76Å; G390-G392 VanDerWaalsContact C-N 3.34Å; G392-E394 PolarHBondContact O-N 2.67Å; G392-D395 PolarHBondContact O-N 3.47Å; G392-D395 VanDerWaalsContact O-N 3.14Å; G392-E398 VanDerWaalsContact CA-OE1 3.32Å; G392-E398 WeakPolarHBondContact CA-OE1 3.32Å
393	P	85.1	Confident	93.8	Very high	117 Å²	117	52.9 Å²	52.9	76%	0.76	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.6	-177	25.4	-34.6	0	0	0	113.3	R325 D395	R325-P393 PolarHBondContact NH2-O 3.43Å; P393-D395 VanDerWaalsContact C-N 3.32Å
394	E	90.2	Very high	94	Very high	74 Å²	74	50.5 Å²	50.5	35%	0.346	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-10.8	-179.3	-77.8	-77.6	105.2	0	0	113.7	G392 A396 K397 E398 R401	G392-E394 PolarHBondContact O-N 2.67Å; E394-A396 PolarHBondContact O-N 2.84Å; E394-K397 HydrophobicContact CB-CB 4.38Å; E394-K397 VanDerWaalsContact O-CB 3.27Å; E394-K397 WeakPolarHBondContact O-CB 3.32Å; E394-K397 WeakPolarHBondContact O-CG 3.37Å; E394-K397 PolarHBondContact O-N 3.37Å; E394-K397 IonicContact OE1-NZ 3.37Å; E394-K397 PolarHBondContact OE1-NZ 3.1Å; E394-K397 WeakPolarHBondContact OE2-CD 3.43Å; E394-K397 IonicContact OE2-NZ 3.93Å; E394-E398 HydrophobicContact CB-CG 3.76Å; E394-R401 IonicContact OE2-CZ 3.64Å; E394-R401 IonicContact OE2-NH1 3Å; E394-R401 PolarHBondContact OE2-NH1 3.12Å; E394-R401 IonicContact OE2-NH2 2.95Å; E394-R401 PolarHBondContact OE2-NH2 2.79Å
395	D	94.4	Very high	94.5	Very high	9 Å²	9	47.9 Å²	47.9	5%	0.048	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	-128.3	171.7	-164.5	47.2	0	0	0	113.3	H263 R325 W329 G390 G392 P393 K397 E398	H263-D395 WeakPolarHBondContact CB-OD2 3.37Å; H263-D395 IonicContact CE1-OD1 3.78Å; H263-D395 IonicContact CE1-OD2 3.34Å; H263-D395 IonicContact CG-OD2 3.41Å; H263-D395 IonicContact ND1-OD1 3.79Å; H263-D395 PolarHBondContact ND1-OD1 3.03Å; H263-D395 IonicContact ND1-OD2 2.67Å; H263-D395 PolarHBondContact ND1-OD2 2.87Å; R325-D395 WeakPolarHBondContact CD-OD1 3.43Å; R325-D395 WeakPolarHBondContact CG-OD1 3.41Å; R325-D395 VanDerWaalsContact CZ-CB 3.47Å; R325-D395 IonicContact CZ-OD1 2.62Å; R325-D395 IonicContact NE-OD1 3.87Å; R325-D395 PolarHBondContact NE-OD1 2.91Å; W329-D395 PolarHBondContact NE1-OD1 3.15Å; G390-D395 WeakPolarHBondContact CA-O 3.43Å; G390-D395 WeakPolarHBondContact O-CA 3.42Å; G392-D395 PolarHBondContact O-N 3.47Å; G392-D395 VanDerWaalsContact O-N 3.14Å; P393-D395 VanDerWaalsContact C-N 3.32Å; D395-K397 PolarHBondContact O-N 3.24Å; D395-E398 PolarHBondContact O-N 2.92Å
396	A	97.2	Very high	94.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-51.4	-30.9	179.2	0	0	0	0	0	113.3	V256 N260 W329 E394 E398 I399 M400	V256-A396 HydrophobicContact CG1-CB 4.41Å; N260-A396 HydrophobicContact CB-CB 3.54Å; N260-A396 WeakPolarHBondContact OD1-CB 3.46Å; W329-A396 HydrophobicContact CH2-CB 3.57Å; W329-A396 HydrophobicContact CZ2-CB 3.61Å; E394-A396 PolarHBondContact O-N 2.84Å; A396-E398 PolarHBondContact O-N 3.06Å; A396-I399 WeakPolarHBondContact O-CB 3.33Å; A396-I399 PolarHBondContact O-N 2.87Å; A396-M400 HydrophobicContact CB-SD 4.25Å; A396-M400 WeakPolarHBondContact O-CG 3.34Å; A396-M400 PolarHBondContact O-N 2.88Å
397	K	97.3	Very high	95.3	Very high	101 Å²	101	49.3 Å²	49.3	44%	0.439	28%	0.279	S	S	.	.	H	α-helix	trans	-62.5	-29.4	-177.9	-58.7	175	-176.4	170	0	112.6	E394 D395 M400 R401	E394-K397 HydrophobicContact CB-CB 4.38Å; E394-K397 VanDerWaalsContact O-CB 3.27Å; E394-K397 WeakPolarHBondContact O-CB 3.32Å; E394-K397 WeakPolarHBondContact O-CG 3.37Å; E394-K397 PolarHBondContact O-N 3.37Å; E394-K397 IonicContact OE1-NZ 3.37Å; E394-K397 PolarHBondContact OE1-NZ 3.1Å; E394-K397 WeakPolarHBondContact OE2-CD 3.43Å; E394-K397 IonicContact OE2-NZ 3.93Å; D395-K397 PolarHBondContact O-N 3.24Å; K397-M400 PolarHBondContact O-N 2.81Å; K397-R401 WeakPolarHBondContact O-CG 3.25Å; K397-R401 PolarHBondContact O-N 2.95Å; K397-R401 PolarHBondContact O-NE 3.16Å
398	E	97.8	Very high	95.5	Very high	51 Å²	51	43.9 Å²	43.9	24%	0.238	26%	0.257	C	S	.	.	H	α-helix	trans	-63.9	-44.8	174.3	-63.5	179.7	-172.2	0	0	110.9	L389 G390 G392 E394 D395 A396 R401 H402	L389-E398 HydrophobicContact CD1-CB 4.01Å; G390-E398 WeakPolarHBondContact CA-OE2 3.48Å; G390-E398 PolarHBondContact N-OE2 2.64Å; G392-E398 VanDerWaalsContact CA-OE1 3.32Å; G392-E398 WeakPolarHBondContact CA-OE1 3.32Å; E394-E398 HydrophobicContact CB-CG 3.76Å; D395-E398 PolarHBondContact O-N 2.92Å; A396-E398 PolarHBondContact O-N 3.06Å; E398-R401 PolarHBondContact O-N 2.84Å; E398-H402 PolarHBondContact O-N 2.67Å
399	I	98.6	Very high	95.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-67.9	-42	177.6	-59.1	166	0	0	0	110	V256 W329 L332 L376 L380 L389 A396 R401 H402 F405	V256-I399 HydrophobicContact CG1-CG2 4.49Å; V256-I399 HydrophobicContact CG2-CG2 3.84Å; W329-I399 HydrophobicContact CB-CD1 4.19Å; W329-I399 HydrophobicContact CD2-CD1 3.23Å; W329-I399 HydrophobicContact CE3-CD1 3.18Å; W329-I399 HydrophobicContact CG-CD1 3.69Å; W329-I399 HydrophobicContact CH2-CD1 4.17Å; W329-I399 HydrophobicContact CZ2-CD1 4.2Å; W329-I399 HydrophobicContact CZ3-CD1 3.68Å; L332-I399 HydrophobicContact CD2-CD1 4.36Å; L332-I399 HydrophobicContact CD2-CG2 4.33Å; L376-I399 HydrophobicContact CD1-CG2 4.37Å; L380-I399 HydrophobicContact CD2-CD1 3.77Å; L380-I399 HydrophobicContact CD2-CG1 4.03Å; L389-I399 HydrophobicContact CD2-CG1 4.05Å; L389-I399 HydrophobicContact CG-CG1 3.82Å; A396-I399 WeakPolarHBondContact O-CB 3.33Å; A396-I399 PolarHBondContact O-N 2.87Å; I399-R401 PolarHBondContact O-N 3.28Å; I399-H402 WeakPolarHBondContact O-CB 3.45Å; I399-H402 PolarHBondContact O-N 2.91Å; I399-F405 HydrophobicContact CG2-CD2 4.23Å; I399-F405 HydrophobicContact CG2-CE2 3.68Å; I399-F405 WeakPolarHBondContact O-CD2 3.49Å
400	M	98.5	Very high	95.6	Very high	43 Å²	43	48.4 Å²	48.4	21%	0.212	28%	0.278	C	S	.	.	H	α-helix	trans	-61.5	-27.5	-179.2	-68.5	166.6	78	0	0	113.7	V256 A396 K397 W410	V256-M400 HydrophobicContact CG1-CG 3.82Å; A396-M400 HydrophobicContact CB-SD 4.25Å; A396-M400 WeakPolarHBondContact O-CG 3.34Å; A396-M400 PolarHBondContact O-N 2.88Å; K397-M400 PolarHBondContact O-N 2.81Å; M400-W410 HydrophobicContact CB-CD2 4.12Å; M400-W410 VanDerWaalsContact CB-CE2 3.48Å; M400-W410 HydrophobicContact CB-CH2 4.32Å; M400-W410 HydrophobicContact CB-CZ2 3.65Å; M400-W410 HydrophobicContact CE-CB 3.55Å; M400-W410 HydrophobicContact CE-CD2 3.39Å; M400-W410 HydrophobicContact CE-CE3 3.82Å; M400-W410 HydrophobicContact CE-CG 3.23Å; M400-W410 HydrophobicContact CG-CD2 3.75Å; M400-W410 HydrophobicContact CG-CE3 3.94Å; M400-W410 HydrophobicContact CG-CG 4.44Å; M400-W410 HydrophobicContact CG-CH2 3.81Å; M400-W410 HydrophobicContact CG-CZ2 3.63Å; M400-W410 HydrophobicContact CG-CZ3 3.95Å; M400-W410 PolarHBondContact O-NE1 2.88Å; M400-W410 VanDerWaalsContact O-NE1 3.14Å; M400-W410 HydrophobicContact SD-CD2 4.39Å
401	R	98.1	Very high	95.7	Very high	156 Å²	156	53.4 Å²	53.4	59%	0.589	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-6.2	177.4	-68.6	-178.3	-64.6	-113.2	1.3	113.6	E394 K397 E398 I399	E394-R401 IonicContact OE2-CZ 3.64Å; E394-R401 IonicContact OE2-NH1 3Å; E394-R401 PolarHBondContact OE2-NH1 3.12Å; E394-R401 IonicContact OE2-NH2 2.95Å; E394-R401 PolarHBondContact OE2-NH2 2.79Å; K397-R401 WeakPolarHBondContact O-CG 3.25Å; K397-R401 PolarHBondContact O-N 2.95Å; K397-R401 PolarHBondContact O-NE 3.16Å; E398-R401 PolarHBondContact O-N 2.84Å; I399-R401 PolarHBondContact O-N 3.28Å
402	H	98.6	Very high	96.2	Very high	28 Å²	28	55 Å²	55	13%	0.13	31%	0.306	C	S	.	.	S	Bend	trans	-66.1	143.4	-177.4	-172	-84.5	0	0	0	111.2	D372 S375 L376 L389 E398 I399 F404 F405	D372-H402 PolarHBondContact O-CE1 3.04Å; S375-H402 PolarHBondContact OG-NE2 3.19Å; L376-H402 VanDerWaalsContact CA-CE1 3.46Å; L376-H402 WeakPolarHBondContact CA-CE1 3.45Å; L376-H402 HydrophobicContact CD1-CB 4.34Å; L376-H402 PolarHBondContact N-CE1 3.07Å; L376-H402 PolarHBondContact N-NE2 3.42Å; L389-H402 HydrophobicContact CD2-CB 4.41Å; E398-H402 PolarHBondContact O-N 2.67Å; I399-H402 WeakPolarHBondContact O-CB 3.45Å; I399-H402 PolarHBondContact O-N 2.91Å; H402-F404 WeakPolarHBondContact ND1-CB 3.34Å; H402-F404 PolarHBondContact ND1-N 2.93Å; H402-F404 PolarHBondContact O-N 2.97Å; H402-F404 VanDerWaalsContact O-N 3.1Å; H402-F405 PolarHBondContact O-N 2.9Å
403	S	98.3	Very high	96.7	Very high	52 Å²	52	54.3 Å²	54.3	36%	0.364	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-56.2	-32.3	-174	58.7	0	0	0	0	113.9	D372 F405 S406	D372-S403 VanDerWaalsContact OD1-CB 3.29Å; D372-S403 WeakPolarHBondContact OD1-CB 3.41Å; D372-S403 PolarHBondContact OD1-OG 3.45Å; S403-F405 PolarHBondContact O-N 3Å; S403-S406 WeakPolarHBondContact O-CB 3.42Å; S403-S406 PolarHBondContact O-N 2.73Å
404	F	98.7	Very high	97.4	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.009	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-55.6	-31.3	173.9	-174.1	-97.5	0	0	0	113.7	E245 R249 M340 D372 A373 L376 H402	E245-F404 HydrophobicContact CB-CE2 4.22Å; R249-F404 HydrophobicContact CB-CD1 4.48Å; R249-F404 HydrophobicContact CB-CE1 3.72Å; R249-F404 HydrophobicContact CB-CZ 4.01Å; R249-F404 WeakPolarHBondContact CD-O 3.35Å; R249-F404 HydrophobicContact CG-CD1 4.35Å; R249-F404 HydrophobicContact CG-CE1 4.06Å; R249-F404 PolarHBondContact NE-O 3.15Å; M340-F404 HydrophobicContact SD-CE2 4.12Å; M340-F404 HydrophobicContact SD-CZ 4.05Å; D372-F404 HydrophobicContact CB-CB 4.31Å; D372-F404 HydrophobicContact CB-CD2 4.34Å; A373-F404 HydrophobicContact CB-CD2 4.09Å; A373-F404 HydrophobicContact CB-CE2 3.88Å; L376-F404 HydrophobicContact CB-CB 4.01Å; L376-F404 HydrophobicContact CB-CG 4.31Å; L376-F404 HydrophobicContact CD2-CB 3.98Å; L376-F404 HydrophobicContact CD2-CD1 3.34Å; L376-F404 HydrophobicContact CD2-CD2 4.45Å; L376-F404 HydrophobicContact CD2-CE1 3.85Å; L376-F404 HydrophobicContact CD2-CG 3.67Å; L376-F404 HydrophobicContact CG-CB 4.46Å; H402-F404 WeakPolarHBondContact ND1-CB 3.34Å; H402-F404 PolarHBondContact ND1-N 2.93Å; H402-F404 PolarHBondContact O-N 2.97Å; H402-F404 VanDerWaalsContact O-N 3.1Å
405	F	98.6	Very high	97.7	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.018	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-99.8	15.6	176.4	-62.6	-73.3	0	0	0	113	R249 A253 V256 L376 I399 H402 S403 G407 I408 W410	R249-F405 HydrophobicContact CG-CD1 3.83Å; R249-F405 HydrophobicContact CG-CE1 4.17Å; A253-F405 HydrophobicContact CB-CD1 4.29Å; A253-F405 HydrophobicContact CB-CE1 4.21Å; V256-F405 HydrophobicContact CG2-CZ 4.48Å; L376-F405 HydrophobicContact CD1-CE2 4.03Å; L376-F405 HydrophobicContact CD2-CE2 3.87Å; L376-F405 HydrophobicContact CD2-CZ 4.16Å; I399-F405 HydrophobicContact CG2-CD2 4.23Å; I399-F405 HydrophobicContact CG2-CE2 3.68Å; I399-F405 WeakPolarHBondContact O-CD2 3.49Å; H402-F405 PolarHBondContact O-N 2.9Å; S403-F405 PolarHBondContact O-N 3Å; F405-G407 PolarHBondContact O-N 3.37Å; F405-I408 HydrophobicContact CB-CG1 4.34Å; F405-I408 HydrophobicContact CD1-CG1 4.48Å; F405-I408 WeakPolarHBondContact O-CB 3.45Å; F405-I408 WeakPolarHBondContact O-CG1 3.48Å; F405-I408 PolarHBondContact O-N 2.93Å; F405-I408 VanDerWaalsContact O-N 3.11Å; F405-W410 HydrophobicContact CB-CZ2 3.86Å; F405-W410 HydrophobicContact CD1-CH2 4.2Å; F405-W410 HydrophobicContact CD1-CZ2 4.29Å; F405-W410 HydrophobicContact CD2-CZ2 4.47Å; F405-W410 HydrophobicContact CG-CH2 4.22Å; F405-W410 AromaticContact CG-CZ2 3.97Å; F405-W410 HydrophobicContact CG-CZ2 3.97Å
406	S	96.7	Very high	97.9	Very high	100 Å²	100	56 Å²	56	70%	0.699	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	131.9	175.8	-174.5	0	0	0	0	111	S403	S403-S406 WeakPolarHBondContact O-CB 3.42Å; S403-S406 PolarHBondContact O-N 2.73Å
407	G	94.6	Very high	97.9	Very high	81 Å²	81	61.6 Å²	61.6	84%	0.835	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	-2	-178.5	0	0	0	0	0	115.5	F405	F405-G407 PolarHBondContact O-N 3.37Å
408	I	97.8	Very high	97.9	Very high	35 Å²	35	58.8 Å²	58.8	18%	0.179	31%	0.307	C	S	.	.			trans	-79.4	122.1	172.3	-62.7	-64.6	0	0	0	109.8	R249 A253 F405 W410 V413 L418	R249-I408 HydrophobicContact CG-CD1 4.37Å; R249-I408 HydrophobicContact CG-CG1 4.37Å; A253-I408 HydrophobicContact CB-CG2 4.3Å; F405-I408 HydrophobicContact CB-CG1 4.34Å; F405-I408 HydrophobicContact CD1-CG1 4.48Å; F405-I408 WeakPolarHBondContact O-CB 3.45Å; F405-I408 WeakPolarHBondContact O-CG1 3.48Å; F405-I408 PolarHBondContact O-N 2.93Å; F405-I408 VanDerWaalsContact O-N 3.11Å; I408-W410 HydrophobicContact CG2-CD2 4.23Å; I408-W410 HydrophobicContact CG2-CZ2 4.33Å; I408-V413 HydrophobicContact CG2-CG2 3.47Å; I408-V413 VanDerWaalsContact CG2-CG2 3.47Å; I408-L418 HydrophobicContact CD1-CD1 4.16Å
409	D	98.1	Very high	97.8	Very high	83 Å²	83	62.5 Å²	62.5	44%	0.444	33%	0.333	S	S	.	.			trans	-84.7	113.9	164.4	-173.4	-46.8	0	0	0	109.2	Q411 D412 V413	D409-Q411 VanDerWaalsContact C-N 3.3Å; D409-Q411 PolarHBondContact O-N 3.16Å; D409-Q411 WeakPolarHBondContact OD1-CA 3.43Å; D409-Q411 VanDerWaalsContact OD1-CB 3.31Å; D409-Q411 WeakPolarHBondContact OD1-CB 3.33Å; D409-Q411 PolarHBondContact OD1-N 3.43Å; D409-D412 HydrophobicContact CB-CB 4Å; D409-D412 PolarHBondContact O-N 3.45Å; D409-D412 PolarHBondContact OD1-N 2.77Å; D409-V413 WeakPolarHBondContact O-CG2 3.23Å; D409-V413 PolarHBondContact O-N 3.23Å
410	W	98.3	Very high	97.8	Very high	46 Å²	46	63.9 Å²	63.9	17%	0.174	34%	0.342	C	S	.	.	H	α-helix	trans	-72.4	-21.7	-175.4	-67.6	96.1	0	0	0	113.8	A253 V256 M400 F405 I408 V413 Y414	A253-W410 HydrophobicContact CB-CH2 4.15Å; A253-W410 HydrophobicContact CB-CZ3 4.09Å; A253-W410 WeakPolarHBondContact O-CZ3 3.31Å; V256-W410 HydrophobicContact CB-CH2 3.99Å; V256-W410 HydrophobicContact CB-CZ3 3.84Å; V256-W410 HydrophobicContact CG1-CH2 3.71Å; V256-W410 HydrophobicContact CG1-CZ3 3.6Å; M400-W410 HydrophobicContact CB-CD2 4.12Å; M400-W410 VanDerWaalsContact CB-CE2 3.48Å; M400-W410 HydrophobicContact CB-CH2 4.32Å; M400-W410 HydrophobicContact CB-CZ2 3.65Å; M400-W410 HydrophobicContact CE-CB 3.55Å; M400-W410 HydrophobicContact CE-CD2 3.39Å; M400-W410 HydrophobicContact CE-CE3 3.82Å; M400-W410 HydrophobicContact CE-CG 3.23Å; M400-W410 HydrophobicContact CG-CD2 3.75Å; M400-W410 HydrophobicContact CG-CE3 3.94Å; M400-W410 HydrophobicContact CG-CG 4.44Å; M400-W410 HydrophobicContact CG-CH2 3.81Å; M400-W410 HydrophobicContact CG-CZ2 3.63Å; M400-W410 HydrophobicContact CG-CZ3 3.95Å; M400-W410 PolarHBondContact O-NE1 2.88Å; M400-W410 VanDerWaalsContact O-NE1 3.14Å; M400-W410 HydrophobicContact SD-CD2 4.39Å; F405-W410 HydrophobicContact CB-CZ2 3.86Å; F405-W410 HydrophobicContact CD1-CH2 4.2Å; F405-W410 HydrophobicContact CD1-CZ2 4.29Å; F405-W410 HydrophobicContact CD2-CZ2 4.47Å; F405-W410 HydrophobicContact CG-CH2 4.22Å; F405-W410 AromaticContact CG-CZ2 3.97Å; F405-W410 HydrophobicContact CG-CZ2 3.97Å; I408-W410 HydrophobicContact CG2-CD2 4.23Å; I408-W410 HydrophobicContact CG2-CZ2 4.33Å; W410-V413 HydrophobicContact CE3-CG2 4.43Å; W410-Y414 PolarHBondContact O-N 3.31Å
411	Q	98	Very high	97.7	Very high	106 Å²	106	64.9 Å²	64.9	50%	0.495	35%	0.351	S	S	.	.	H	α-helix	trans	-73.5	-40	170.7	-172.3	60.3	53.4	0	0	109.9	D409 V413 Y414 D415	D409-Q411 VanDerWaalsContact C-N 3.3Å; D409-Q411 PolarHBondContact O-N 3.16Å; D409-Q411 WeakPolarHBondContact OD1-CA 3.43Å; D409-Q411 VanDerWaalsContact OD1-CB 3.31Å; D409-Q411 WeakPolarHBondContact OD1-CB 3.33Å; D409-Q411 PolarHBondContact OD1-N 3.43Å; Q411-V413 VanDerWaalsContact C-N 3.29Å; Q411-V413 PolarHBondContact O-N 2.87Å; Q411-Y414 PolarHBondContact O-N 3.46Å; Q411-D415 PolarHBondContact NE2-OD1 3.35Å; Q411-D415 WeakPolarHBondContact O-CB 3.39Å; Q411-D415 VanDerWaalsContact O-CG 3.23Å; Q411-D415 PolarHBondContact O-N 2.95Å
412	D	98.4	Very high	97.6	Very high	50 Å²	50	59.4 Å²	59.4	27%	0.267	33%	0.332	S	S	.	.	H	α-helix	trans	-68.1	-29.7	175.6	-74.6	-9.6	0	0	0	112.9	D409 K416 K417 L418	D409-D412 HydrophobicContact CB-CB 4Å; D409-D412 PolarHBondContact O-N 3.45Å; D409-D412 PolarHBondContact OD1-N 2.77Å; D412-K416 PolarHBondContact O-N 2.85Å; D412-K417 HydrophobicContact CB-CB 3.99Å; D412-K417 HydrophobicContact CB-CD 4.15Å; D412-K417 PolarHBondContact O-N 3.38Å; D412-K417 WeakPolarHBondContact OD1-CD 3.16Å; D412-K417 IonicContact OD1-NZ 2.7Å; D412-K417 PolarHBondContact OD1-NZ 2.91Å; D412-L418 HydrophobicContact CB-CD2 4.27Å
413	V	98.6	Very high	97.4	Very high	2 Å²	2	64.6 Å²	64.6	1%	0.012	35%	0.354	C	S	.	.	H	α-helix	trans	-59.4	-57	166.2	173.3	0	0	0	0	109.6	F207 A253 E254 I408 D409 W410 Q411 D415 K416 L418	F207-V413 HydrophobicContact CE2-CG1 3.78Å; F207-V413 WeakPolarHBondContact CE2-O 3.32Å; F207-V413 HydrophobicContact CZ-CG1 4.3Å; F207-V413 WeakPolarHBondContact CZ-O 3.46Å; A253-V413 HydrophobicContact CB-CG1 4.47Å; A253-V413 HydrophobicContact CB-CG2 4.03Å; E254-V413 HydrophobicContact CG-CG1 4.38Å; I408-V413 HydrophobicContact CG2-CG2 3.47Å; I408-V413 VanDerWaalsContact CG2-CG2 3.47Å; D409-V413 WeakPolarHBondContact O-CG2 3.23Å; D409-V413 PolarHBondContact O-N 3.23Å; W410-V413 HydrophobicContact CE3-CG2 4.43Å; Q411-V413 VanDerWaalsContact C-N 3.29Å; Q411-V413 PolarHBondContact O-N 2.87Å; V413-D415 VanDerWaalsContact C-N 3.31Å; V413-D415 PolarHBondContact O-N 3.5Å; V413-K416 PolarHBondContact O-N 2.88Å; V413-L418 HydrophobicContact CG2-CD1 3.49Å; V413-L418 VanDerWaalsContact CG2-CD1 3.49Å; V413-L418 HydrophobicContact CG2-CG 4.26Å
414	Y	98.1	Very high	97.1	Very high	100 Å²	100	62.4 Å²	62.4	39%	0.392	34%	0.339	S	S	.	.	H	α-helix	trans	-59	-41.1	-178.5	-178.5	-92.2	0	0	0	112.7	H205 P206 W410 Q411 K416	H205-Y414 AromaticContact CD2-CD2 3.95Å; H205-Y414 AromaticContact CD2-CE2 3.58Å; H205-Y414 AromaticContact NE2-CD2 3.43Å; H205-Y414 WeakPolarHBondContact NE2-CD2 3.26Å; H205-Y414 AromaticContact NE2-CE2 3.58Å; P206-Y414 HydrophobicContact CG-CD2 4.09Å; P206-Y414 HydrophobicContact CG-CE2 4.09Å; P206-Y414 HydrophobicContact CG-CG 4.42Å; P206-Y414 WeakPolarHBondContact CG-O 3.4Å; W410-Y414 PolarHBondContact O-N 3.31Å; Q411-Y414 PolarHBondContact O-N 3.46Å; Y414-K416 PolarHBondContact O-N 3.03Å
415	D	97.9	Very high	96.8	Very high	69 Å²	69	69 Å²	69	37%	0.369	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	1.9	179.8	-65.3	-15.3	0	0	0	113.5	Q411 V413 K417	Q411-D415 PolarHBondContact NE2-OD1 3.35Å; Q411-D415 WeakPolarHBondContact O-CB 3.39Å; Q411-D415 VanDerWaalsContact O-CG 3.23Å; Q411-D415 PolarHBondContact O-N 2.95Å; V413-D415 VanDerWaalsContact C-N 3.31Å; V413-D415 PolarHBondContact O-N 3.5Å; D415-K417 VanDerWaalsContact C-N 3.26Å; D415-K417 HydrophobicContact CB-CD 3.88Å; D415-K417 HydrophobicContact CB-CG 4Å; D415-K417 PolarHBondContact O-N 3.03Å; D415-K417 WeakPolarHBondContact OD2-CE 3.35Å; D415-K417 IonicContact OD2-NZ 3.86Å; D415-K417 PolarHBondContact OD2-NZ 3.36Å
416	K	98.1	Very high	96.3	Very high	66 Å²	66	70.4 Å²	70.4	29%	0.287	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	36.7	-175.2	-57.2	-175.7	67.8	-179.8	0	113.7	P206 F207 D280 H284 D412 V413 Y414	P206-K416 HydrophobicContact CB-CD 3.98Å; P206-K416 HydrophobicContact CB-CG 3.98Å; F207-K416 HydrophobicContact CE1-CD 4.31Å; F207-K416 HydrophobicContact CE1-CG 3.83Å; F207-K416 HydrophobicContact CZ-CG 4.03Å; D280-K416 IonicContact OD2-NZ 3.66Å; D280-K416 PolarHBondContact OD2-NZ 3.2Å; H284-K416 WeakPolarHBondContact CD2-CE 3.17Å; D412-K416 PolarHBondContact O-N 2.85Å; V413-K416 PolarHBondContact O-N 2.88Å; Y414-K416 PolarHBondContact O-N 3.03Å
417	K	97.9	Very high	95.7	Very high	119 Å²	119	71 Å²	71	52%	0.517	38%	0.378	S	S	.	.			trans	-87	-19.6	178.1	-70.8	163.8	-179.6	156.9	0	113.3	D412 D415	D412-K417 HydrophobicContact CB-CB 3.99Å; D412-K417 HydrophobicContact CB-CD 4.15Å; D412-K417 PolarHBondContact O-N 3.38Å; D412-K417 WeakPolarHBondContact OD1-CD 3.16Å; D412-K417 IonicContact OD1-NZ 2.7Å; D412-K417 PolarHBondContact OD1-NZ 2.91Å; D415-K417 VanDerWaalsContact C-N 3.26Å; D415-K417 HydrophobicContact CB-CD 3.88Å; D415-K417 HydrophobicContact CB-CG 4Å; D415-K417 PolarHBondContact O-N 3.03Å; D415-K417 WeakPolarHBondContact OD2-CE 3.35Å; D415-K417 IonicContact OD2-NZ 3.86Å; D415-K417 PolarHBondContact OD2-NZ 3.36Å
418	L	96.4	Very high	95.2	Very high	42 Å²	42	69.7 Å²	69.7	22%	0.22	36%	0.356	C	S	.	.	S	Bend	trans	-66.1	134.5	172.7	-60.5	-168.6	0	0	0	110.2	F250 H284 I408 D412 V413 P420	F250-L418 HydrophobicContact CD2-CB 4.09Å; F250-L418 HydrophobicContact CD2-CD1 4.5Å; F250-L418 HydrophobicContact CE2-CB 3.68Å; H284-L418 PolarHBondContact CE1-O 3.19Å; I408-L418 HydrophobicContact CD1-CD1 4.16Å; D412-L418 HydrophobicContact CB-CD2 4.27Å; V413-L418 HydrophobicContact CG2-CD1 3.49Å; V413-L418 VanDerWaalsContact CG2-CD1 3.49Å; V413-L418 HydrophobicContact CG2-CG 4.26Å; L418-P420 WeakPolarHBondContact O-CD 3.21Å
419	V	96.8	Very high	94.3	Very high	129 Å²	129	74 Å²	74	78%	0.782	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-77.3	123.6	-179.8	180	0	0	0	0	109.6
420	P	97.3	Very high	93.6	Very high	28 Å²	28	72.6 Å²	72.6	18%	0.182	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-61.4	130.9	176.5	-26.2	36.5	0	0	0	112	F250 D282 H284 L418 F422	F250-P420 HydrophobicContact CE1-CB 4.18Å; F250-P420 HydrophobicContact CE1-CG 4.5Å; F250-P420 HydrophobicContact CE2-CG 4.5Å; F250-P420 HydrophobicContact CZ-CB 3.9Å; F250-P420 HydrophobicContact CZ-CG 3.83Å; D282-P420 WeakPolarHBondContact O-CG 3.21Å; H284-P420 WeakPolarHBondContact NE2-CG 3.43Å; L418-P420 WeakPolarHBondContact O-CD 3.21Å; P420-F422 PolarHBondContact O-N 3.46Å
421	P	96.4	Very high	93	Very high	64 Å²	64	71.2 Å²	71.2	42%	0.416	37%	0.366	S	S	.	.	S	Bend	trans	-70.7	-17.1	179	29.6	-36.6	0	0	0	112.6	R247 F250	R247-P421 HydrophobicContact CB-CB 4.38Å; R247-P421 HydrophobicContact CB-CG 4.07Å; R247-P421 HydrophobicContact CG-CB 4.43Å; R247-P421 HydrophobicContact CG-CG 3.79Å; F250-P421 HydrophobicContact CB-CG 4.13Å; F250-P421 VanDerWaalsContact CD1-CD 3.4Å; F250-P421 HydrophobicContact CD1-CG 4.06Å; F250-P421 VanDerWaalsContact CG-CD 3.45Å; F250-P421 HydrophobicContact CG-CG 4.09Å
422	F	96	Very high	92.3	Very high	42 Å²	42	66.9 Å²	66.9	18%	0.184	35%	0.347	C	S	.	.			trans	-137.9	127.1	176.5	169.7	-97.5	0	0	0	109.3	H236 R247 L279 G283 P420 P424	H236-F422 AromaticContact CE1-CE1 3.57Å; H236-F422 AromaticContact CE1-CZ 3.74Å; H236-F422 AromaticContact ND1-CE1 3.7Å; H236-F422 AromaticContact ND1-CZ 3.68Å; R247-F422 VanDerWaalsContact NH2-CG 3.3Å; L279-F422 HydrophobicContact CD1-CD1 3.7Å; L279-F422 HydrophobicContact CD1-CE1 3.91Å; G283-F422 WeakPolarHBondContact CA-O 3.48Å; P420-F422 PolarHBondContact O-N 3.46Å; F422-P424 HydrophobicContact CD1-CG 4.3Å; F422-P424 HydrophobicContact CE1-CB 4.26Å; F422-P424 HydrophobicContact CE1-CG 3.84Å
423	K	94.2	Very high	91.8	Very high	137 Å²	137	69.9 Å²	69.9	60%	0.596	35%	0.354	S	S	*	.			trans	-107.4	118.6	173.7	-172.2	168.4	-174.5	166.2	0	109.6
424	P	93.1	Very high	91.2	Very high	6 Å²	6	70.9 Å²	70.9	4%	0.039	36%	0.358	C	S	.	.			trans	-56.7	139.9	176.5	-26	35.3	0	0	0	111.9	L279 D280 F422 V426 Y434	L279-P424 HydrophobicContact CB-CG 4.03Å; L279-P424 HydrophobicContact CD1-CG 4.27Å; D280-P424 WeakPolarHBondContact O-CG 3.07Å; F422-P424 HydrophobicContact CD1-CG 4.3Å; F422-P424 HydrophobicContact CE1-CB 4.26Å; F422-P424 HydrophobicContact CE1-CG 3.84Å; P424-V426 HydrophobicContact CB-CG1 4.37Å; P424-V426 PolarHBondContact O-N 2.9Å; P424-Y434 HydrophobicContact CB-CE2 3.87Å
425	Q	91.4	Very high	90.4	Very high	141 Å²	141	67.5 Å²	67.5	66%	0.659	35%	0.345	S	S	*	.			trans	-84.8	56.1	-178.5	-63.5	-176.3	-13.9	0	0	111.2	R433 Y434	Q425-R433 VanDerWaalsContact O-CD 3.32Å; Q425-R433 WeakPolarHBondContact O-CD 3.26Å; Q425-R433 PolarHBondContact O-NE 2.93Å; Q425-R433 VanDerWaalsContact O-NE 3.08Å; Q425-R433 PolarHBondContact O-NH1 3.04Å; Q425-Y434 PolarHBondContact N-OH 3.31Å
426	V	88.6	Confident	89.6	Confident	33 Å²	33	68.6 Å²	68.6	20%	0.2	35%	0.351	C	S	.	.			trans	-84.6	132.8	175.6	-65.2	0	0	0	0	110.5	N229 K281 P424 D431 Y434	N229-V426 WeakPolarHBondContact O-CG1 3.22Å; K281-V426 HydrophobicContact CB-CG2 3.92Å; P424-V426 HydrophobicContact CB-CG1 4.37Å; P424-V426 PolarHBondContact O-N 2.9Å; V426-D431 HydrophobicContact CB-CB 4.17Å; V426-D431 HydrophobicContact CG1-CB 4.44Å; V426-Y434 HydrophobicContact CG1-CD2 3.88Å; V426-Y434 HydrophobicContact CG1-CE2 3.71Å
427	T	84.9	Confident	88.8	Confident	113 Å²	113	72.9 Å²	72.9	69%	0.693	37%	0.372	S	S	*	.			trans	-97.4	-13	-177.7	54.1	0	0	0	0	113.7	D431 R433	T427-D431 PolarHBondContact N-OD2 2.91Å; T427-D431 PolarHBondContact OG1-OD2 3.19Å; T427-D431 VanDerWaalsContact OG1-OD2 3.11Å; T427-R433 PolarHBondContact OG1-NH2 2.91Å
428	S	82.9	Confident	88	Confident	52 Å²	52	73.5 Å²	73.5	36%	0.364	38%	0.377	S	S	.	.	S	Bend	trans	-157	164.7	179.1	68.1	0	0	0	0	111.6	N229 T430 D431	N229-S428 PolarHBondContact ND2-O 3.39Å; S428-T430 PolarHBondContact O-N 3.3Å; S428-T430 PolarHBondContact OG-N 2.94Å; S428-T430 PolarHBondContact OG-OG1 3.03Å; S428-T430 VanDerWaalsContact OG-OG1 3.12Å; S428-D431 VanDerWaalsContact O-CB 3.25Å; S428-D431 WeakPolarHBondContact O-CB 3.44Å; S428-D431 PolarHBondContact O-N 3.18Å; S428-D431 PolarHBondContact OG-N 2.92Å; S428-D431 VanDerWaalsContact OG-N 3.16Å
429	E	78.9	Confident	87.3	Confident	126 Å²	126	73.8 Å²	73.8	59%	0.589	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-15.6	173.6	-61.4	-176.4	172.7	0	0	113.4	Y173 Y227	Y173-E429 HydrophobicContact CD2-CB 3.69Å; Y173-E429 WeakPolarHBondContact CD2-OE2 3.34Å; Y173-E429 HydrophobicContact CE2-CB 3.93Å; Y227-E429 WeakPolarHBondContact CD1-O 3.5Å; Y227-E429 WeakPolarHBondContact CE1-O 3.41Å
430	T	82.7	Confident	86.5	Confident	54 Å²	54	68.3 Å²	68.3	33%	0.331	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	2.8	175.3	51.3	0	0	0	0	113.2	L151 Y173 S428 T432	L151-T430 HydrophobicContact CD1-CG2 4.46Å; Y173-T430 HydrophobicContact CD1-CG2 3.69Å; Y173-T430 HydrophobicContact CD2-CG2 4.31Å; Y173-T430 HydrophobicContact CE1-CG2 3.16Å; Y173-T430 HydrophobicContact CE2-CG2 3.86Å; Y173-T430 HydrophobicContact CG-CG2 4.24Å; S428-T430 PolarHBondContact O-N 3.3Å; S428-T430 PolarHBondContact OG-N 2.94Å; S428-T430 PolarHBondContact OG-OG1 3.03Å; S428-T430 VanDerWaalsContact OG-OG1 3.12Å; T430-T432 PolarHBondContact O-N 3.48Å
431	D	85.6	Confident	85.6	Confident	17 Å²	17	71 Å²	71	9%	0.091	37%	0.368	C	S	.	.			trans	-61.4	131.8	-179.2	-162.5	-24.2	0	0	0	109.3	Y227 V426 T427 S428 R433	Y227-D431 PolarHBondContact OH-O 3.4Å; V426-D431 HydrophobicContact CB-CB 4.17Å; V426-D431 HydrophobicContact CG1-CB 4.44Å; T427-D431 PolarHBondContact N-OD2 2.91Å; T427-D431 PolarHBondContact OG1-OD2 3.19Å; T427-D431 VanDerWaalsContact OG1-OD2 3.11Å; S428-D431 VanDerWaalsContact O-CB 3.25Å; S428-D431 WeakPolarHBondContact O-CB 3.44Å; S428-D431 PolarHBondContact O-N 3.18Å; S428-D431 PolarHBondContact OG-N 2.92Å; S428-D431 VanDerWaalsContact OG-N 3.16Å; D431-R433 VanDerWaalsContact OD1-CB 3.31Å; D431-R433 WeakPolarHBondContact OD1-CB 3.21Å; D431-R433 WeakPolarHBondContact OD1-CG 3.43Å; D431-R433 PolarHBondContact OD1-N 2.89Å; D431-R433 IonicContact OD1-NE 3.02Å; D431-R433 PolarHBondContact OD1-NE 3.18Å; D431-R433 IonicContact OD2-CZ 3.09Å; D431-R433 VanDerWaalsContact OD2-CZ 3.25Å; D431-R433 IonicContact OD2-NE 2.73Å; D431-R433 PolarHBondContact OD2-NE 3.37Å; D431-R433 IonicContact OD2-NH2 2.94Å; D431-R433 PolarHBondContact OD2-NH2 3.33Å
432	T	84.4	Confident	84.9	Confident	15 Å²	15	71.9 Å²	71.9	9%	0.092	37%	0.367	C	S	.	.			trans	-126.7	16.8	-175.9	42.9	0	0	0	0	111.7	K152 L154 L164 Y227 T430 Y434 F435	K152-T432 HydrophobicContact CB-CG2 4.46Å; K152-T432 HydrophobicContact CD-CG2 3.64Å; K152-T432 WeakPolarHBondContact CD-OG1 3.42Å; K152-T432 WeakPolarHBondContact CE-OG1 3.43Å; K152-T432 PolarHBondContact NZ-OG1 3.24Å; L154-T432 HydrophobicContact CD2-CG2 3.93Å; L164-T432 HydrophobicContact CD2-CG2 4.06Å; Y227-T432 VanDerWaalsContact OH-CG2 3.31Å; Y227-T432 WeakPolarHBondContact OH-CG2 3.1Å; T430-T432 PolarHBondContact O-N 3.48Å; T432-Y434 PolarHBondContact O-N 2.97Å; T432-Y434 VanDerWaalsContact O-N 3.08Å; T432-F435 HydrophobicContact CG2-CD2 4.07Å; T432-F435 HydrophobicContact CG2-CE2 4.48Å; T432-F435 PolarHBondContact O-N 3.31Å
433	R	87.4	Confident	84.1	Confident	113 Å²	113	75.8 Å²	75.8	43%	0.426	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-21.1	-179	70.5	177.4	59.8	-159.1	-3.1	115.1	Q425 T427 D431	Q425-R433 VanDerWaalsContact O-CD 3.32Å; Q425-R433 WeakPolarHBondContact O-CD 3.26Å; Q425-R433 PolarHBondContact O-NE 2.93Å; Q425-R433 VanDerWaalsContact O-NE 3.08Å; Q425-R433 PolarHBondContact O-NH1 3.04Å; T427-R433 PolarHBondContact OG1-NH2 2.91Å; D431-R433 VanDerWaalsContact OD1-CB 3.31Å; D431-R433 WeakPolarHBondContact OD1-CB 3.21Å; D431-R433 WeakPolarHBondContact OD1-CG 3.43Å; D431-R433 PolarHBondContact OD1-N 2.89Å; D431-R433 IonicContact OD1-NE 3.02Å; D431-R433 PolarHBondContact OD1-NE 3.18Å; D431-R433 IonicContact OD2-CZ 3.09Å; D431-R433 VanDerWaalsContact OD2-CZ 3.25Å; D431-R433 IonicContact OD2-NE 2.73Å; D431-R433 PolarHBondContact OD2-NE 3.37Å; D431-R433 IonicContact OD2-NH2 2.94Å; D431-R433 PolarHBondContact OD2-NH2 3.33Å
434	Y	85.7	Confident	83.2	Confident	23 Å²	23	71.7 Å²	71.7	9%	0.09	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	10.4	-179.1	-61.4	-61.2	0	0	0	112.7	N229 F235 H236 P424 Q425 V426 T432	N229-Y434 WeakPolarHBondContact O-CD2 3.36Å; F235-Y434 HydrophobicContact CD1-CD1 4.07Å; F235-Y434 AromaticContact CE1-CD1 3.53Å; F235-Y434 HydrophobicContact CE1-CD1 3.53Å; F235-Y434 AromaticContact CE1-CE1 3.95Å; F235-Y434 HydrophobicContact CE1-CE1 3.95Å; F235-Y434 HydrophobicContact CZ-CD1 4.23Å; H236-Y434 AromaticContact CE1-CE1 3.82Å; P424-Y434 HydrophobicContact CB-CE2 3.87Å; Q425-Y434 PolarHBondContact N-OH 3.31Å; V426-Y434 HydrophobicContact CG1-CD2 3.88Å; V426-Y434 HydrophobicContact CG1-CE2 3.71Å; T432-Y434 PolarHBondContact O-N 2.97Å; T432-Y434 VanDerWaalsContact O-N 3.08Å
435	F	82.7	Confident	82.1	Confident	29 Å²	29	76.7 Å²	76.7	13%	0.127	41%	0.409	C	S	.	.	S	Bend	trans	-107.1	149.6	171.2	-66.9	-91.8	0	0	0	109.6	L154 Y227 V228 M278 T432 E437 T440	L154-F435 HydrophobicContact CB-CD1 3.89Å; L154-F435 HydrophobicContact CB-CE1 3.89Å; L154-F435 HydrophobicContact CD1-CE1 4.15Å; L154-F435 HydrophobicContact CD1-CZ 4.29Å; L154-F435 HydrophobicContact CD2-CD1 3.78Å; L154-F435 HydrophobicContact CD2-CD2 4.05Å; L154-F435 HydrophobicContact CD2-CE1 3.79Å; L154-F435 HydrophobicContact CD2-CE2 4.05Å; L154-F435 HydrophobicContact CD2-CG 3.91Å; L154-F435 HydrophobicContact CD2-CZ 3.93Å; L154-F435 HydrophobicContact CG-CD1 4.34Å; L154-F435 HydrophobicContact CG-CE1 4.14Å; Y227-F435 AromaticContact CE2-CE2 3.77Å; Y227-F435 HydrophobicContact CE2-CE2 3.77Å; Y227-F435 AromaticContact CE2-CZ 3.55Å; Y227-F435 HydrophobicContact CE2-CZ 3.55Å; Y227-F435 AromaticContact CZ-CE2 3.83Å; Y227-F435 WeakPolarHBondContact OH-CE2 3.35Å; V228-F435 WeakPolarHBondContact O-CZ 3.36Å; M278-F435 HydrophobicContact CE-CE1 4.27Å; M278-F435 HydrophobicContact CE-CZ 4.22Å; T432-F435 HydrophobicContact CG2-CD2 4.07Å; T432-F435 HydrophobicContact CG2-CE2 4.48Å; T432-F435 PolarHBondContact O-N 3.31Å; F435-E437 PolarHBondContact O-N 2.75Å; F435-T440 HydrophobicContact CB-CG2 3.48Å; F435-T440 VanDerWaalsContact CB-CG2 3.48Å; F435-T440 HydrophobicContact CG-CG2 4.49Å
436	D	80.5	Confident	80.7	Confident	91 Å²	91	71.5 Å²	71.5	49%	0.487	39%	0.385	S	S	.	.			trans	-58.8	131.7	-178.4	-158.7	-41.5	0	0	0	111.8	E438 F439 T440	D436-E438 PolarHBondContact O-N 2.78Å; D436-E438 WeakPolarHBondContact OD1-CB 3.35Å; D436-E438 PolarHBondContact OD1-N 2.86Å; D436-F439 HydrophobicContact CB-CD2 3.57Å; D436-F439 HydrophobicContact CB-CE2 3.86Å; D436-F439 PolarHBondContact O-N 3.45Å; D436-F439 VanDerWaalsContact O-N 3.15Å; D436-T440 WeakPolarHBondContact O-CG2 3.48Å; D436-T440 PolarHBondContact O-N 3.06Å; D436-T440 PolarHBondContact O-OG1 3.45Å
437	E	81.2	Confident	79.2	Confident	157 Å²	157	74.4 Å²	74.4	73%	0.734	40%	0.403	S	S	*	.	H	α-helix	trans	-62.2	-29.8	175.6	-69.9	-172.3	176.2	0	0	111.7	F435 F439 T440 A441	F435-E437 PolarHBondContact O-N 2.75Å; E437-F439 PolarHBondContact O-N 3Å; E437-T440 PolarHBondContact O-N 2.86Å; E437-A441 WeakPolarHBondContact O-CB 3.41Å; E437-A441 PolarHBondContact O-N 3.38Å
438	E	81.6	Confident	77.6	Confident	132 Å²	132	73.8 Å²	73.8	62%	0.617	40%	0.401	S	S	*	.	H	α-helix	trans	-55.4	-40.4	174.7	-173.8	-176.1	166.4	0	0	110.9	D436 Q442	D436-E438 PolarHBondContact O-N 2.78Å; D436-E438 WeakPolarHBondContact OD1-CB 3.35Å; D436-E438 PolarHBondContact OD1-N 2.86Å; E438-Q442 VanDerWaalsContact O-CG 3.29Å; E438-Q442 WeakPolarHBondContact O-CG 3.17Å; E438-Q442 PolarHBondContact O-NE2 3.13Å
439	F	80.6	Confident	75.9	Confident	47 Å²	47	74.7 Å²	74.7	21%	0.206	41%	0.406	C	S	.	.	H	α-helix	trans	-84	-47.4	177.7	-56.2	-52.2	0	0	0	111.2	L153 K156 D436 E437 A441 Q442	L153-F439 HydrophobicContact CD2-CB 4.29Å; L153-F439 HydrophobicContact CG-CB 4.25Å; L153-F439 CarbonylContact O-C 3.34Å; K156-F439 HydrophobicContact CB-CD1 4.27Å; K156-F439 HydrophobicContact CB-CE1 4.1Å; D436-F439 HydrophobicContact CB-CD2 3.57Å; D436-F439 HydrophobicContact CB-CE2 3.86Å; D436-F439 PolarHBondContact O-N 3.45Å; D436-F439 VanDerWaalsContact O-N 3.15Å; E437-F439 PolarHBondContact O-N 3Å; F439-A441 VanDerWaalsContact C-N 3.28Å; F439-A441 PolarHBondContact O-N 3.08Å; F439-Q442 WeakPolarHBondContact O-CB 3.32Å; F439-Q442 PolarHBondContact O-N 3.4Å; F439-Q442 VanDerWaalsContact O-N 3.08Å
440	T	81.6	Confident	74.1	Confident	15 Å²	15	75 Å²	75	9%	0.092	41%	0.407	C	S	.	.	H	α-helix	trans	-75.4	-17.8	-167.8	73.2	0	0	0	0	114.1	K152 L153 F435 D436 E437	K152-T440 HydrophobicContact CD-CG2 3.96Å; K152-T440 VanDerWaalsContact CE-CB 3.41Å; K152-T440 VanDerWaalsContact CE-O 3.22Å; K152-T440 WeakPolarHBondContact CE-O 3.3Å; K152-T440 HydrophobicContact CG-CG2 4.41Å; K152-T440 PolarHBondContact NZ-OG1 3.22Å; K152-T440 VanDerWaalsContact NZ-OG1 3.11Å; L153-T440 WeakPolarHBondContact O-CA 3.37Å; L153-T440 WeakPolarHBondContact O-CG2 3.26Å; F435-T440 HydrophobicContact CB-CG2 3.48Å; F435-T440 VanDerWaalsContact CB-CG2 3.48Å; F435-T440 HydrophobicContact CG-CG2 4.49Å; D436-T440 WeakPolarHBondContact O-CG2 3.48Å; D436-T440 PolarHBondContact O-N 3.06Å; D436-T440 PolarHBondContact O-OG1 3.45Å; E437-T440 PolarHBondContact O-N 2.86Å
441	A	78.3	Confident	72	Confident	85 Å²	85	81.8 Å²	81.8	70%	0.702	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-12.5	171.1	0	0	0	0	0	113.5	E437 F439	E437-A441 WeakPolarHBondContact O-CB 3.41Å; E437-A441 PolarHBondContact O-N 3.38Å; F439-A441 VanDerWaalsContact C-N 3.28Å; F439-A441 PolarHBondContact O-N 3.08Å
442	Q	81.6	Confident	69.7	Low	81 Å²	81	89 Å²	89	38%	0.379	46%	0.463	S	S	.	.	S	Bend	trans	-74.4	137	-179.1	-68.3	177.6	39.7	0	0	111.9	L153 E438 F439 I444	L153-Q442 HydrophobicContact CD2-CB 4.08Å; E438-Q442 VanDerWaalsContact O-CG 3.29Å; E438-Q442 WeakPolarHBondContact O-CG 3.17Å; E438-Q442 PolarHBondContact O-NE2 3.13Å; F439-Q442 WeakPolarHBondContact O-CB 3.32Å; F439-Q442 PolarHBondContact O-N 3.4Å; F439-Q442 VanDerWaalsContact O-N 3.08Å; Q442-I444 PolarHBondContact O-N 2.86Å
443	T	77.6	Confident	67.3	Low	125 Å²	125	95.4 Å²	95.4	77%	0.767	50%	0.497	S	S	*	.			trans	-68	131.5	170.5	51.2	0	0	0	0	110.7	T445	T443-T445 PolarHBondContact O-N 3.33Å; T443-T445 VanDerWaalsContact O-N 3.15Å
444	I	77	Confident	64.9	Low	50 Å²	50	99 Å²	99	26%	0.256	52%	0.518	S	S	.	.			trans	-74.3	108.9	177.8	-62.5	166.1	0	0	0	109.7	L151 I163 Q442 I446	L151-I444 WeakPolarHBondContact O-CD1 3.27Å; I163-I444 HydrophobicContact CD1-CG2 4.13Å; I163-I444 HydrophobicContact CG2-CD1 3.78Å; I163-I444 HydrophobicContact CG2-CG1 4.5Å; Q442-I444 PolarHBondContact O-N 2.86Å; I444-I446 HydrophobicContact CG2-CD1 3.95Å; I444-I446 HydrophobicContact CG2-CG1 3.75Å
445	T	68.4	Low	62.3	Low	111 Å²	111	105.1 Å²	105.1	68%	0.681	55%	0.552	S	S	*	*			trans	-104.5	110.7	165.1	-31.5	0	0	0	0	109.1	K161 T443	K161-T445 PolarHBondContact NZ-O 3.48Å; T443-T445 PolarHBondContact O-N 3.33Å; T443-T445 VanDerWaalsContact O-N 3.15Å
446	I	63.5	Low	60.2	Low	32 Å²	32	107.8 Å²	107.8	16%	0.164	59%	0.589	C	S	.	*	P	Polyproline II helix	trans	-103.3	119.3	169.3	-63.9	174.9	0	0	0	106.1	M145 Y150 I163 I444 P448	M145-I446 HydrophobicContact CE-CG2 4.25Å; Y150-I446 HydrophobicContact CD1-CD1 3.13Å; Y150-I446 HydrophobicContact CD2-CD1 3.59Å; Y150-I446 HydrophobicContact CE1-CD1 3.2Å; Y150-I446 HydrophobicContact CE2-CD1 3.66Å; Y150-I446 HydrophobicContact CG-CD1 3.32Å; Y150-I446 VanDerWaalsContact CZ-CD1 3.46Å; I163-I446 HydrophobicContact CD1-CD1 3.92Å; I163-I446 HydrophobicContact CD1-CG1 4.2Å; I444-I446 HydrophobicContact CG2-CD1 3.95Å; I444-I446 HydrophobicContact CG2-CG1 3.75Å; I446-P448 VanDerWaalsContact O-CD 3.31Å; I446-P448 WeakPolarHBondContact O-CD 3.18Å; I446-P448 VanDerWaalsContact O-N 3.1Å
447	T	56.5	Low	58.4	Low	94 Å²	94	110.7 Å²	110.7	58%	0.577	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-54.5	118.2	166.4	-33.7	0	0	0	0	106.8	R220	R220-T447 VanDerWaalsContact NH2-CB 3.31Å; R220-T447 PolarHBondContact NH2-OG1 3.03Å; R220-T447 VanDerWaalsContact NH2-OG1 3.15Å
448	P	51.7	Low	56.3	Low	101 Å²	101	109.4 Å²	109.4	66%	0.656	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-54.1	141.3	177.9	-21.1	30.5	0	0	0	108.8	I446 E450	I446-P448 VanDerWaalsContact O-CD 3.31Å; I446-P448 WeakPolarHBondContact O-CD 3.18Å; I446-P448 VanDerWaalsContact O-N 3.1Å; P448-E450 PolarHBondContact O-N 3.02Å
449	P	47.2	Very low	54.2	Low	70 Å²	70	108.3 Å²	108.3	46%	0.455	61%	0.605	S	S	.	*	P	Polyproline II helix	trans	-54.9	129.9	164.1	21.4	-26.6	0	0	0	107.3	K451	P449-K451 PolarHBondContact O-N 3.16Å
450	E	41.5	Very low	52.1	Low	134 Å²	134	112.4 Å²	112.4	63%	0.626	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-46.9	132	171.8	-70.9	175.2	167.4	0	0	107.9	K218 P448 F452	K218-E450 IonicContact NZ-OE2 2.88Å; K218-E450 PolarHBondContact NZ-OE2 3.23Å; P448-E450 PolarHBondContact O-N 3.02Å; E450-F452 PolarHBondContact O-N 3.47Å
451	K	36.9	Very low	50.2	Low	196 Å²	196	117.8 Å²	117.8	85%	0.852	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-49.7	135.6	-173.8	-72.1	-179.7	176.5	-179.8	0	109.7	P449 D453	P449-K451 PolarHBondContact O-N 3.16Å; K451-D453 PolarHBondContact O-N 3.13Å; K451-D453 VanDerWaalsContact O-N 3.08Å
452	F	38.9	Very low	48.8	Very low	167 Å²	167	118.6 Å²	118.6	73%	0.732	65%	0.649	S	S	*	*			trans	-55.5	112.3	167.1	-88.1	-102.5	0	0	0	107.8	M144 E450 E454	M144-F452 HydrophobicContact CE-CD2 4.38Å; M144-F452 HydrophobicContact CE-CE2 3.3Å; M144-F452 HydrophobicContact CE-CZ 3.38Å; E450-F452 PolarHBondContact O-N 3.47Å; F452-E454 PolarHBondContact O-N 3.47Å
453	D	33.3	Very low	47.2	Very low	150 Å²	150	123.5 Å²	123.5	80%	0.802	67%	0.672	S	S	*	*			trans	-69.6	118.5	156.8	-72.5	-36.3	0	0	0	105.8	K451 D455	K451-D453 PolarHBondContact O-N 3.13Å; K451-D453 VanDerWaalsContact O-N 3.08Å; D453-D455 PolarHBondContact O-N 2.89Å
454	E	35.8	Very low	45.4	Very low	189 Å²	189	127.5 Å²	127.5	88%	0.883	67%	0.673	S	S	*	*	S	Bend	trans	-64.1	77.8	170.2	-75	-177.5	141.5	0	0	108.7	F452	F452-E454 PolarHBondContact O-N 3.47Å
455	D	32	Very low	44.3	Very low	151 Å²	151	130.6 Å²	130.6	81%	0.807	68%	0.681	S	S	*	*			trans	-158.2	110	155.7	-91.7	-35.1	0	0	0	108	D453 M457	D453-D455 PolarHBondContact O-N 2.89Å; D455-M457 PolarHBondContact O-N 3.08Å
456	G	39.7	Very low	43.6	Very low	86 Å²	86	126.9 Å²	126.9	89%	0.887	66%	0.659	S	S	*	*			trans	-68.5	91.6	-175.3	0	0	0	0	0	112
457	M	41.6	Very low	43.4	Very low	151 Å²	151	131.2 Å²	131.2	74%	0.744	68%	0.678	S	S	*	*			trans	-168.3	114.7	146.4	-150.6	58.3	-178.8	0	0	108.7	D455	D455-M457 PolarHBondContact O-N 3.08Å
458	D	37.6	Very low	43.6	Very low	130 Å²	130	127.1 Å²	127.1	70%	0.695	65%	0.653	S	S	*	*			trans	-148.9	75.8	163.3	-129.4	2.5	0	0	0	111.7	L460	D458-L460 PolarHBondContact O-N 3.34Å; D458-L460 WeakPolarHBondContact OD1-CD1 3.46Å; D458-L460 VanDerWaalsContact OD1-CG 3.27Å; D458-L460 WeakPolarHBondContact OD1-CG 3.2Å
459	C	36.2	Very low	43.6	Very low	109 Å²	109	126.6 Å²	126.6	74%	0.736	65%	0.649	S	S	*	*			trans	-81.4	32.2	162	-64.5	0	0	0	0	111.5	D461	C459-D461 PolarHBondContact O-N 3.41Å; C459-D461 VanDerWaalsContact O-N 3.13Å
460	L	37.8	Very low	44.1	Very low	134 Å²	134	130.3 Å²	130.3	70%	0.702	66%	0.66	S	S	*	*			trans	-87.6	88.1	-178.4	-71.3	178.9	0	0	0	111	D458 N462	D458-L460 PolarHBondContact O-N 3.34Å; D458-L460 WeakPolarHBondContact OD1-CD1 3.46Å; D458-L460 VanDerWaalsContact OD1-CG 3.27Å; D458-L460 WeakPolarHBondContact OD1-CG 3.2Å; L460-N462 PolarHBondContact O-N 3.09Å; L460-N462 VanDerWaalsContact O-N 3.15Å
461	D	42.3	Very low	45.1	Very low	127 Å²	127	124 Å²	124	68%	0.679	63%	0.631	S	S	*	*			trans	-60.6	105.5	160.2	-126.9	-1.8	0	0	0	108.4	C459 H467	C459-D461 PolarHBondContact O-N 3.41Å; C459-D461 VanDerWaalsContact O-N 3.13Å; D461-H467 PolarHBondContact OD1-N 2.91Å
462	N	47.3	Very low	46.2	Very low	102 Å²	102	117.7 Å²	117.7	55%	0.545	61%	0.612	S	S	.	*	B	Isolated β-bridge	trans	-110.9	132.4	175.5	-151	-19.3	0	0	0	106.9	L460 R464 R465	L460-N462 PolarHBondContact O-N 3.09Å; L460-N462 VanDerWaalsContact O-N 3.15Å; N462-R464 PolarHBondContact O-N 2.69Å; N462-R465 HydrophobicContact CB-CB 4.46Å; N462-R465 CarbonylContact O-C 3.57Å; N462-R465 WeakPolarHBondContact O-CA 3.21Å; N462-R465 PolarHBondContact O-N 3.16Å
463	E	48.6	Very low	47.7	Very low	185 Å²	185	112.2 Å²	112.2	86%	0.864	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.8	-23.8	-170.9	-67.8	-171.8	155.7	0	0	113.8
464	R	40	Very low	49.3	Very low	209 Å²	209	107.6 Å²	107.6	79%	0.789	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-12.1	176.2	-63.1	-177.6	-178.2	-178.5	0.5	114.6	N462	N462-R464 PolarHBondContact O-N 2.69Å
465	R	53.8	Low	50.6	Low	115 Å²	115	99.2 Å²	99.2	43%	0.434	53%	0.529	S	S	.	.	B	Isolated β-bridge	trans	-139.2	58.5	-177.3	-61.6	178.5	-178.3	168.3	-5.4	110.9	K218 N462	K218-R465 VanDerWaalsContact CE-NH1 3.35Å; N462-R465 HydrophobicContact CB-CB 4.46Å; N462-R465 CarbonylContact O-C 3.57Å; N462-R465 WeakPolarHBondContact O-CA 3.21Å; N462-R465 PolarHBondContact O-N 3.16Å
466	P	53.4	Low	51.4	Low	33 Å²	33	95.9 Å²	95.9	21%	0.214	52%	0.518	C	S	.	.	P	Polyproline II helix	trans	-62.4	145.2	-179.9	26	-33.2	0	0	0	110.9	K181 I185 F468	K181-P466 PolarHBondContact NZ-O 2.83Å; I185-P466 HydrophobicContact CD1-CG 3.52Å; I185-P466 HydrophobicContact CG1-CG 4.43Å; P466-F468 HydrophobicContact CG-CE2 3.85Å; P466-F468 HydrophobicContact CG-CZ 4.05Å; P466-F468 WeakPolarHBondContact O-CD2 2.92Å; P466-F468 PolarHBondContact O-N 3.33Å
467	H	60.3	Low	51.3	Low	122 Å²	122	95 Å²	95	57%	0.565	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-78.9	116.7	166.3	177.7	-86.8	0	0	0	108.2	Q216 D461 P469	Q216-H467 PolarHBondContact NE2-CD2 3.08Å; Q216-H467 PolarHBondContact NE2-CE1 3.25Å; Q216-H467 PolarHBondContact NE2-NE2 2.75Å; D461-H467 PolarHBondContact OD1-N 2.91Å; H467-P469 VanDerWaalsContact O-CD 3.26Å; H467-P469 WeakPolarHBondContact O-CD 3.22Å
468	F	58.9	Low	50.7	Low	9 Å²	9	98.9 Å²	98.9	4%	0.039	51%	0.514	C	S	.	.	P	Polyproline II helix	trans	-79	117.2	179.9	-71.4	-99.3	0	0	0	109	K181 V190 L194 Q216 L221 P466 F471	K181-F468 HydrophobicContact CB-CE2 4.31Å; K181-F468 HydrophobicContact CD-CD2 4.13Å; K181-F468 HydrophobicContact CD-CE2 3.83Å; K181-F468 HydrophobicContact CG-CD2 4.38Å; K181-F468 HydrophobicContact CG-CE2 3.77Å; V190-F468 HydrophobicContact CG1-CE1 3.9Å; V190-F468 HydrophobicContact CG2-CE1 4.29Å; V190-F468 HydrophobicContact CG2-CZ 4.44Å; L194-F468 HydrophobicContact CD2-CD1 3.83Å; Q216-F468 PolarHBondContact NE2-O 3.05Å; Q216-F468 VanDerWaalsContact OE1-N 3.12Å; L221-F468 HydrophobicContact CD1-CD1 4.38Å; L221-F468 HydrophobicContact CD1-CD2 4.16Å; L221-F468 HydrophobicContact CD1-CE1 4.41Å; L221-F468 HydrophobicContact CD1-CE2 4.2Å; L221-F468 HydrophobicContact CD1-CG 4.24Å; L221-F468 HydrophobicContact CD1-CZ 4.33Å; L221-F468 HydrophobicContact CD2-CB 4.28Å; L221-F468 HydrophobicContact CD2-CD2 3.77Å; L221-F468 HydrophobicContact CD2-CE2 4.38Å; L221-F468 HydrophobicContact CD2-CG 4.12Å; L221-F468 HydrophobicContact CG-CD2 4.38Å; P466-F468 HydrophobicContact CG-CE2 3.85Å; P466-F468 HydrophobicContact CG-CZ 4.05Å; P466-F468 WeakPolarHBondContact O-CD2 2.92Å; P466-F468 PolarHBondContact O-N 3.33Å; F468-F471 HydrophobicContact CB-CB 4.25Å; F468-F471 HydrophobicContact CB-CD2 3.58Å; F468-F471 HydrophobicContact CB-CE2 4.2Å; F468-F471 HydrophobicContact CB-CG 4.05Å
469	P	52.9	Low	50.5	Low	90 Å²	90	105.3 Å²	105.3	58%	0.584	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	151	176.5	-17.9	30.4	0	0	0	110.3	H467 F471	H467-P469 VanDerWaalsContact O-CD 3.26Å; H467-P469 WeakPolarHBondContact O-CD 3.22Å; P469-F471 PolarHBondContact O-N 2.8Å; P469-F471 VanDerWaalsContact O-N 3.13Å
470	Q	58.2	Low	51.2	Low	147 Å²	147	105.2 Å²	105.2	69%	0.687	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	5.9	178.3	-50.5	175.9	-8.5	0	0	116	K201 S472	K201-Q470 PolarHBondContact NZ-O 2.58Å; Q470-S472 PolarHBondContact O-N 2.94Å
471	F	60.7	Low	52	Low	3 Å²	3	103.6 Å²	103.6	1%	0.013	52%	0.521	C	S	.	.			trans	-80.5	33.4	177.5	-99.9	-98.4	0	0	0	114.9	T193 L194 F215 Q216 L221 F223 F468 P469	T193-F471 HydrophobicContact CG2-CZ 4.12Å; L194-F471 HydrophobicContact CD2-CD2 4.28Å; L194-F471 HydrophobicContact CD2-CE2 3.64Å; F215-F471 WeakPolarHBondContact CA-O 3.45Å; Q216-F471 HydrophobicContact CB-CB 4.35Å; Q216-F471 HydrophobicContact CG-CB 4.25Å; L221-F471 HydrophobicContact CB-CD1 4.33Å; L221-F471 HydrophobicContact CB-CE1 3.93Å; L221-F471 HydrophobicContact CD1-CD1 4.47Å; L221-F471 HydrophobicContact CD1-CE1 3.86Å; L221-F471 HydrophobicContact CD1-CZ 3.87Å; L221-F471 HydrophobicContact CD2-CD1 3.68Å; L221-F471 HydrophobicContact CD2-CE1 3.89Å; L221-F471 HydrophobicContact CD2-CG 4.07Å; L221-F471 HydrophobicContact CD2-CZ 4.48Å; L221-F471 HydrophobicContact CG-CD1 4.37Å; L221-F471 HydrophobicContact CG-CE1 4.1Å; F223-F471 AromaticContact CE1-CE1 3.72Å; F223-F471 HydrophobicContact CE1-CE1 3.72Å; F223-F471 HydrophobicContact CE1-CZ 4.04Å; F223-F471 HydrophobicContact CE2-CE1 4.11Å; F223-F471 HydrophobicContact CE2-CZ 4.49Å; F223-F471 AromaticContact CZ-CE1 3.4Å; F223-F471 HydrophobicContact CZ-CE1 3.4Å; F223-F471 AromaticContact CZ-CZ 3.56Å; F223-F471 HydrophobicContact CZ-CZ 3.56Å; F468-F471 HydrophobicContact CB-CB 4.25Å; F468-F471 HydrophobicContact CB-CD2 3.58Å; F468-F471 HydrophobicContact CB-CE2 4.2Å; F468-F471 HydrophobicContact CB-CG 4.05Å; P469-F471 PolarHBondContact O-N 2.8Å; P469-F471 VanDerWaalsContact O-N 3.13Å
472	S	61.1	Low	52.5	Low	63 Å²	63	102.3 Å²	102.3	44%	0.441	51%	0.513	S	S	.	.			trans	-126.9	108.3	168.5	-69.9	0	0	0	0	108.2	S214 Q470	S214-S472 WeakPolarHBondContact O-CA 3.47Å; Q470-S472 PolarHBondContact O-N 2.94Å
473	Y	70.9	Confident	52.8	Low	52 Å²	52	102.4 Å²	102.4	20%	0.204	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	136.9	179.1	177.1	-97.8	0	0	0	110.7	K201 L211 Y213 S214 A475	K201-Y473 HydrophobicContact CB-CD2 4.26Å; K201-Y473 HydrophobicContact CB-CE2 3.99Å; K201-Y473 HydrophobicContact CD-CD2 3.74Å; K201-Y473 HydrophobicContact CD-CE2 4.31Å; K201-Y473 HydrophobicContact CD-CG 3.9Å; K201-Y473 HydrophobicContact CG-CD1 4.01Å; K201-Y473 HydrophobicContact CG-CD2 3.67Å; K201-Y473 HydrophobicContact CG-CE1 4.2Å; K201-Y473 HydrophobicContact CG-CE2 3.85Å; K201-Y473 HydrophobicContact CG-CG 3.73Å; K201-Y473 PolarHBondContact O-OH 3.22Å; L211-Y473 HydrophobicContact CD2-CD1 3.9Å; L211-Y473 HydrophobicContact CD2-CE1 4.21Å; L211-Y473 HydrophobicContact CG-CD1 4.31Å; L211-Y473 HydrophobicContact CG-CE1 4.42Å; Y213-Y473 WeakPolarHBondContact CA-O 3.45Å; S214-Y473 PolarHBondContact N-O 3.41Å; S214-Y473 PolarHBondContact O-N 2.96Å; S214-Y473 WeakPolarHBondContact OG-CB 3.49Å; Y473-A475 HydrophobicContact CE1-CB 3.89Å
474	S	65.6	Low	53.1	Low	52 Å²	52	97.2 Å²	97.2	36%	0.364	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	120.6	166.6	178.3	0	0	0	0	106.9	S476	S474-S476 PolarHBondContact O-N 3.02Å; S474-S476 VanDerWaalsContact O-N 3.11Å
475	A	63.4	Low	53.9	Low	14 Å²	14	89.7 Å²	89.7	12%	0.116	47%	0.469	C	S	.	.			trans	-59.4	119.8	173.7	0	0	0	0	0	108.7	K212 Y473 G477	K212-A475 HydrophobicContact CD-CB 4.42Å; K212-A475 PolarHBondContact O-N 3.46Å; Y473-A475 HydrophobicContact CE1-CB 3.89Å; A475-G477 PolarHBondContact O-N 3.27Å; A475-G477 VanDerWaalsContact O-N 3.16Å
476	S	49.5	Very low	53.9	Low	81 Å²	81	87.9 Å²	87.9	57%	0.566	47%	0.471	S	S	*	.			trans	-57.9	118.3	174.4	32.9	0	0	0	0	108.8	S474 R478	S474-S476 PolarHBondContact O-N 3.02Å; S474-S476 VanDerWaalsContact O-N 3.11Å; S476-R478 PolarHBondContact O-N 3.36Å
477	G	36.3	Very low	54	Low	66 Å²	66	92.2 Å²	92.2	68%	0.68	49%	0.491	S	S	*	.			trans	-68	101.4	179.6	0	0	0	0	0	110.2	A475	A475-G477 PolarHBondContact O-N 3.27Å; A475-G477 VanDerWaalsContact O-N 3.16Å
478	R	30.8	Very low	53.5	Low	234 Å²	234	89.7 Å²	89.7	88%	0.883	49%	0.485	S	S	*	.			trans	-121.3	116.5	145.1	-75.4	-173.2	178.5	178.8	-0.1	105.3	S476	S476-R478 PolarHBondContact O-N 3.36Å
479	E	33.1	Very low	53	Low	265 Å²	265	97 Å²	97	100%	1.238	53%	0.525	S	S	*	.			trans	-55.1	0	-179.3	-67.2	-179.5	144.6	0	0	112.4

Retrieved 479 of 479 residues in 1114 ms (Link to these results)

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