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3-oxo-5-alpha-steroid 4-dehydrogenase

Catalyzes the irreversible stereospecific reduction of the delta 4,5 bond (double bond between carbons 4 and 5) of various 3-oxo steroids (3-keto steroids) producing their 5alpha dihydro-3-oxo forms. Converts testosterone into 5-alpha-dihydrotestosterone (DHT), a more potent androgen as it is the preferred ligand for androgen receptor (AR) transactivation, making this reaction a key step in male sexual differentiation during development. Besides testosterone, it can also act on other steroids, including progesterone, androstenedione, and corticoids, producing metabolites with diverse roles. Hence, it plays a central role in sexual differentiation and androgen physiology.

AlphaFold DB , UniProt , Accession A0A060XWU0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene srd5a1, Length 265 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	80.3	Confident	84.9	Confident	70 Å²	70	80.9 Å²	80.9	35%	0.345	47%	0.467	S	S	.	.				0	-40.5	0	-174.9	61.7	81.9	0	0	110	S3 I4 L5 C75 L76 W79 T80	M1-S3 PolarHBondContact O-N 2.98Å; M1-I4 WeakPolarHBondContact O-CA 3.45Å; M1-I4 WeakPolarHBondContact O-CB 3.44Å; M1-I4 PolarHBondContact O-N 3.27Å; M1-I4 HydrophobicContact SD-CD1 4.41Å; M1-L5 HydrophobicContact CG-CD1 4.34Å; M1-L5 HydrophobicContact CG-CG 4.42Å; M1-L5 PolarHBondContact O-N 3.37Å; M1-L5 VanDerWaalsContact O-N 3.16Å; M1-C75 HydrophobicContact CE-CB 3.74Å; M1-L76 HydrophobicContact CG-CD2 4Å; M1-W79 HydrophobicContact CB-CB 4.11Å; M1-W79 PolarHBondContact N-O 2.99Å; M1-T80 HydrophobicContact CB-CG2 3.57Å; M1-T80 HydrophobicContact CG-CG2 3.49Å; M1-T80 VanDerWaalsContact CG-CG2 3.49Å
2	D	79.5	Confident	85.5	Confident	73 Å²	73	84.3 Å²	84.3	39%	0.39	48%	0.475	S	S	.	.	H	α-helix	trans	-48.3	-48.2	175.3	-76	-31.3	0	0	0	115.6	I4 L5 S6 W79 T80 S81	D2-I4 PolarHBondContact O-N 3.25Å; D2-I4 VanDerWaalsContact O-N 3.14Å; D2-L5 PolarHBondContact O-N 3.05Å; D2-L5 VanDerWaalsContact O-N 3.09Å; D2-S6 WeakPolarHBondContact O-CB 3.41Å; D2-S6 PolarHBondContact O-N 3.33Å; D2-S6 PolarHBondContact O-OG 3.18Å; D2-W79 PolarHBondContact N-O 3.28Å; D2-T80 VanDerWaalsContact CG-CA 3.47Å; D2-T80 WeakPolarHBondContact OD1-CA 3.49Å; D2-T80 WeakPolarHBondContact OD1-CB 3.1Å; D2-T80 WeakPolarHBondContact OD1-CG2 3.44Å; D2-T80 WeakPolarHBondContact OD2-CA 3.35Å; D2-S81 PolarHBondContact OD1-N 2.96Å
3	S	78.8	Confident	86.1	Confident	75 Å²	75	86.5 Å²	86.5	52%	0.524	49%	0.492	S	S	.	.	H	α-helix	trans	-62.1	-22.8	178.8	177.8	0	0	0	0	113.9	M1 S6 K7	M1-S3 PolarHBondContact O-N 2.98Å; S3-S6 PolarHBondContact O-OG 3.17Å; S3-K7 WeakPolarHBondContact O-CD 3.48Å; S3-K7 VanDerWaalsContact O-CG 3.31Å; S3-K7 WeakPolarHBondContact O-CG 3.47Å
4	I	83.1	Confident	86.8	Confident	99 Å²	99	86 Å²	86	51%	0.508	48%	0.483	S	S	.	.	H	α-helix	trans	-78.6	-47.8	173.9	-62.5	173	0	0	0	108.9	M1 D2 S6 K7 L8	M1-I4 WeakPolarHBondContact O-CA 3.45Å; M1-I4 WeakPolarHBondContact O-CB 3.44Å; M1-I4 PolarHBondContact O-N 3.27Å; M1-I4 HydrophobicContact SD-CD1 4.41Å; D2-I4 PolarHBondContact O-N 3.25Å; D2-I4 VanDerWaalsContact O-N 3.14Å; I4-S6 VanDerWaalsContact C-N 3.33Å; I4-S6 PolarHBondContact O-N 2.72Å; I4-K7 WeakPolarHBondContact O-CB 3.39Å; I4-K7 PolarHBondContact O-N 3.25Å; I4-K7 VanDerWaalsContact O-N 3.07Å; I4-L8 HydrophobicContact CG2-CD1 3.88Å; I4-L8 HydrophobicContact CG2-CG 4.43Å; I4-L8 WeakPolarHBondContact O-CG 3.35Å; I4-L8 PolarHBondContact O-N 2.88Å; I4-L8 VanDerWaalsContact O-N 3.12Å
5	L	84.3	Confident	87.4	Confident	14 Å²	14	80.7 Å²	80.7	7%	0.073	45%	0.453	C	S	.	.	H	α-helix	trans	-61	-41.7	179.1	-62.1	178.1	0	0	0	111.8	M1 D2 K7 L8 F9 L76 T80 Y135	M1-L5 HydrophobicContact CG-CD1 4.34Å; M1-L5 HydrophobicContact CG-CG 4.42Å; M1-L5 PolarHBondContact O-N 3.37Å; M1-L5 VanDerWaalsContact O-N 3.16Å; D2-L5 PolarHBondContact O-N 3.05Å; D2-L5 VanDerWaalsContact O-N 3.09Å; L5-K7 PolarHBondContact O-N 2.73Å; L5-K7 VanDerWaalsContact O-N 3.15Å; L5-L8 PolarHBondContact O-N 3.27Å; L5-F9 HydrophobicContact CD2-CE2 4.05Å; L5-F9 WeakPolarHBondContact O-CD2 3.47Å; L5-F9 PolarHBondContact O-N 3.39Å; L5-L76 HydrophobicContact CD1-CD2 4.21Å; L5-T80 HydrophobicContact CD1-CG2 3.66Å; L5-Y135 HydrophobicContact CD2-CE2 3.83Å
6	S	82.5	Confident	88	Confident	87 Å²	87	78.9 Å²	78.9	61%	0.608	44%	0.442	S	S	*	.	H	α-helix	trans	-66.8	-13.7	177.1	76.4	0	0	0	0	114.2	D2 S3 I4	D2-S6 WeakPolarHBondContact O-CB 3.41Å; D2-S6 PolarHBondContact O-N 3.33Å; D2-S6 PolarHBondContact O-OG 3.18Å; S3-S6 PolarHBondContact O-OG 3.17Å; I4-S6 VanDerWaalsContact C-N 3.33Å; I4-S6 PolarHBondContact O-N 2.72Å
7	K	88.5	Confident	88.5	Confident	173 Å²	173	83.5 Å²	83.5	75%	0.752	45%	0.452	S	S	*	.	H	α-helix	trans	-93.1	-25.1	171.3	-71.9	174.4	-176.6	179.2	0	112.2	S3 I4 L5	S3-K7 WeakPolarHBondContact O-CD 3.48Å; S3-K7 VanDerWaalsContact O-CG 3.31Å; S3-K7 WeakPolarHBondContact O-CG 3.47Å; I4-K7 WeakPolarHBondContact O-CB 3.39Å; I4-K7 PolarHBondContact O-N 3.25Å; I4-K7 VanDerWaalsContact O-N 3.07Å; L5-K7 PolarHBondContact O-N 2.73Å; L5-K7 VanDerWaalsContact O-N 3.15Å
8	L	86.9	Confident	89	Confident	113 Å²	113	81.3 Å²	81.3	59%	0.592	44%	0.442	S	S	*	.	H	α-helix	trans	-85.6	-33.2	-179.3	-70.5	172.6	0	0	0	112.1	I4 L5	I4-L8 HydrophobicContact CG2-CD1 3.88Å; I4-L8 HydrophobicContact CG2-CG 4.43Å; I4-L8 WeakPolarHBondContact O-CG 3.35Å; I4-L8 PolarHBondContact O-N 2.88Å; I4-L8 VanDerWaalsContact O-N 3.12Å; L5-L8 PolarHBondContact O-N 3.27Å
9	F	92.1	Very high	89.5	Confident	32 Å²	32	77 Å²	77	14%	0.14	42%	0.418	C	S	.	.			trans	-125.1	134.2	-177.5	-51.3	-69.9	0	0	0	110.1	L5 S11 E14 E15 V18 Y135	L5-F9 HydrophobicContact CD2-CE2 4.05Å; L5-F9 WeakPolarHBondContact O-CD2 3.47Å; L5-F9 PolarHBondContact O-N 3.39Å; F9-S11 VanDerWaalsContact C-N 3.34Å; F9-E14 HydrophobicContact CD1-CG 4.47Å; F9-E15 HydrophobicContact CB-CB 4.03Å; F9-E15 HydrophobicContact CD1-CB 4Å; F9-E15 HydrophobicContact CD1-CG 4.43Å; F9-E15 HydrophobicContact CD2-CB 3.79Å; F9-E15 HydrophobicContact CD2-CG 3.69Å; F9-E15 HydrophobicContact CE1-CB 4.44Å; F9-E15 HydrophobicContact CE1-CG 4.45Å; F9-E15 HydrophobicContact CE2-CB 4.26Å; F9-E15 HydrophobicContact CE2-CG 3.73Å; F9-E15 HydrophobicContact CG-CB 3.64Å; F9-E15 HydrophobicContact CG-CG 4.06Å; F9-E15 HydrophobicContact CZ-CG 4.11Å; F9-V18 HydrophobicContact CD1-CG2 4.37Å; F9-V18 HydrophobicContact CE1-CB 3.92Å; F9-V18 HydrophobicContact CE1-CG1 3.93Å; F9-V18 HydrophobicContact CE1-CG2 3.91Å; F9-V18 HydrophobicContact CZ-CG1 4.35Å; F9-Y135 WeakPolarHBondContact CE2-OH 3.25Å; F9-Y135 WeakPolarHBondContact CZ-OH 3.3Å
10	A	86.2	Confident	90	Very high	97 Å²	97	75.7 Å²	75.7	80%	0.802	41%	0.411	S	S	*	.	S	Bend	trans	-78.3	-19.6	176.2	0	0	0	0	0	112.4	E14	A10-E14 WeakPolarHBondContact CA-OE2 3.13Å; A10-E14 WeakPolarHBondContact CB-OE2 3.5Å; A10-E14 PolarHBondContact N-OE2 3.18Å
11	S	91.9	Very high	90.4	Very high	57 Å²	57	74.6 Å²	74.6	40%	0.399	41%	0.408	S	S	.	.	S	Bend	trans	-155.3	162.4	177	65.7	0	0	0	0	113.1	F9 T13 E14 E15	F9-S11 VanDerWaalsContact C-N 3.34Å; S11-T13 VanDerWaalsContact C-N 3.29Å; S11-T13 PolarHBondContact O-N 3.46Å; S11-E14 PolarHBondContact O-N 2.77Å; S11-E14 WeakPolarHBondContact OG-CB 3.35Å; S11-E14 PolarHBondContact OG-N 3.17Å; S11-E14 VanDerWaalsContact OG-N 3.16Å; S11-E15 PolarHBondContact O-N 3.17Å; S11-E15 VanDerWaalsContact O-N 3.11Å
12	E	91.6	Very high	91.2	Very high	121 Å²	121	73.1 Å²	73.1	57%	0.565	40%	0.402	S	S	*	.	H	α-helix	trans	-61.4	-37.1	172.4	-68.7	-176.8	176.9	0	0	112	E14 E15 L16 H143 Y144	E12-E14 VanDerWaalsContact C-N 3.32Å; E12-E14 PolarHBondContact O-N 3.23Å; E12-E15 PolarHBondContact O-N 3.49Å; E12-L16 PolarHBondContact O-N 3.48Å; E12-H143 IonicContact OE1-CE1 2.74Å; E12-H143 IonicContact OE1-NE2 3.65Å; E12-Y144 WeakPolarHBondContact CA-OH 3.16Å; E12-Y144 HydrophobicContact CB-CE1 4.16Å; E12-Y144 PolarHBondContact O-OH 3.39Å; E12-Y144 VanDerWaalsContact O-OH 3.07Å
13	T	94	Very high	92.1	Very high	113 Å²	113	69.7 Å²	69.7	69%	0.693	38%	0.383	S	S	*	.	H	α-helix	trans	-62.7	-39.3	175.8	-50.7	0	0	0	0	112	S11 Y17	S11-T13 VanDerWaalsContact C-N 3.29Å; S11-T13 PolarHBondContact O-N 3.46Å; T13-Y17 WeakPolarHBondContact O-CB 3.19Å; T13-Y17 PolarHBondContact O-N 3.49Å
14	E	95.6	Very high	93.1	Very high	80 Å²	80	73 Å²	73	37%	0.374	39%	0.386	S	S	.	.	H	α-helix	trans	-67	-43.8	176	-177.1	-176.7	-170.7	0	0	111.5	F9 A10 S11 E12 L16 Y17 V18	F9-E14 HydrophobicContact CD1-CG 4.47Å; A10-E14 WeakPolarHBondContact CA-OE2 3.13Å; A10-E14 WeakPolarHBondContact CB-OE2 3.5Å; A10-E14 PolarHBondContact N-OE2 3.18Å; S11-E14 PolarHBondContact O-N 2.77Å; S11-E14 WeakPolarHBondContact OG-CB 3.35Å; S11-E14 PolarHBondContact OG-N 3.17Å; S11-E14 VanDerWaalsContact OG-N 3.16Å; E12-E14 VanDerWaalsContact C-N 3.32Å; E12-E14 PolarHBondContact O-N 3.23Å; E14-L16 PolarHBondContact O-N 3.31Å; E14-Y17 PolarHBondContact O-N 2.71Å; E14-V18 WeakPolarHBondContact O-CG2 3.48Å; E14-V18 PolarHBondContact O-N 3.32Å
15	E	96	Very high	93.8	Very high	6 Å²	6	73.5 Å²	73.5	3%	0.028	38%	0.384	C	S	.	.	H	α-helix	trans	-61.5	-43.9	176.7	-178.1	-179.3	-147.9	0	0	111.3	F9 S11 E12 V18 L19 Y135 R139 Y144	F9-E15 HydrophobicContact CB-CB 4.03Å; F9-E15 HydrophobicContact CD1-CB 4Å; F9-E15 HydrophobicContact CD1-CG 4.43Å; F9-E15 HydrophobicContact CD2-CB 3.79Å; F9-E15 HydrophobicContact CD2-CG 3.69Å; F9-E15 HydrophobicContact CE1-CB 4.44Å; F9-E15 HydrophobicContact CE1-CG 4.45Å; F9-E15 HydrophobicContact CE2-CB 4.26Å; F9-E15 HydrophobicContact CE2-CG 3.73Å; F9-E15 HydrophobicContact CG-CB 3.64Å; F9-E15 HydrophobicContact CG-CG 4.06Å; F9-E15 HydrophobicContact CZ-CG 4.11Å; S11-E15 PolarHBondContact O-N 3.17Å; S11-E15 VanDerWaalsContact O-N 3.11Å; E12-E15 PolarHBondContact O-N 3.49Å; E15-V18 PolarHBondContact O-N 3Å; E15-L19 WeakPolarHBondContact O-CG 3.47Å; E15-L19 PolarHBondContact O-N 2.98Å; E15-Y135 PolarHBondContact OE1-OH 3.35Å; E15-R139 VanDerWaalsContact CD-NE 3.31Å; E15-R139 IonicContact OE1-CZ 3.87Å; E15-R139 IonicContact OE1-NE 3.65Å; E15-R139 PolarHBondContact OE1-NE 2.86Å; E15-R139 IonicContact OE1-NH2 3.69Å; E15-R139 IonicContact OE2-CZ 3.4Å; E15-R139 IonicContact OE2-NE 2.88Å; E15-R139 PolarHBondContact OE2-NE 3.32Å; E15-R139 IonicContact OE2-NH2 3.19Å; E15-R139 PolarHBondContact OE2-NH2 3.24Å; E15-Y144 WeakPolarHBondContact CB-OH 3.48Å; E15-Y144 HydrophobicContact CG-CE2 4.16Å; E15-Y144 PolarHBondContact OE2-OH 2.85Å
16	L	96.4	Very high	94.5	Very high	53 Å²	53	73 Å²	73	28%	0.277	38%	0.381	S	S	.	.	H	α-helix	trans	-61	-45.1	175.2	179.8	57.8	0	0	0	112	E12 E14 V18 L19 D20 Y140 Y144	E12-L16 PolarHBondContact O-N 3.48Å; E14-L16 PolarHBondContact O-N 3.31Å; L16-V18 VanDerWaalsContact C-N 3.28Å; L16-V18 PolarHBondContact O-N 3.07Å; L16-L19 WeakPolarHBondContact O-CB 3.26Å; L16-L19 PolarHBondContact O-N 3.36Å; L16-L19 VanDerWaalsContact O-N 3.12Å; L16-D20 PolarHBondContact O-N 3.02Å; L16-Y140 HydrophobicContact CD1-CD2 4.03Å; L16-Y140 HydrophobicContact CD1-CE2 4.05Å; L16-Y144 HydrophobicContact CB-CD1 3.99Å; L16-Y144 HydrophobicContact CB-CE1 3.85Å; L16-Y144 HydrophobicContact CB-CG 4.45Å; L16-Y144 HydrophobicContact CD1-CD1 4.12Å; L16-Y144 HydrophobicContact CD1-CD2 4.35Å; L16-Y144 HydrophobicContact CD1-CG 3.9Å; L16-Y144 HydrophobicContact CD2-CD1 4.1Å; L16-Y144 HydrophobicContact CG-CD1 4.3Å
17	Y	97.4	Very high	95.3	Very high	156 Å²	156	71.6 Å²	71.6	61%	0.612	37%	0.366	S	S	*	.	H	α-helix	trans	-58.7	-41.6	175.1	173.6	-102.5	0	0	0	111.7	T13 E14 D20 C21	T13-Y17 WeakPolarHBondContact O-CB 3.19Å; T13-Y17 PolarHBondContact O-N 3.49Å; E14-Y17 PolarHBondContact O-N 2.71Å; Y17-D20 PolarHBondContact O-N 2.68Å; Y17-C21 VanDerWaalsContact CE1-SG 3.59Å; Y17-C21 PolarHBondContact O-N 3.21Å; Y17-C21 PolarHBondContact O-SG 3.12Å; Y17-C21 VanDerWaalsContact O-SG 3.37Å
18	V	97.5	Very high	95.7	Very high	44 Å²	44	69.2 Å²	69.2	27%	0.267	36%	0.356	S	S	.	.	H	α-helix	trans	-63.2	-44.1	174.9	169.6	0	0	0	0	110.9	F9 E14 E15 L16 D20 C21 L22	F9-V18 HydrophobicContact CD1-CG2 4.37Å; F9-V18 HydrophobicContact CE1-CB 3.92Å; F9-V18 HydrophobicContact CE1-CG1 3.93Å; F9-V18 HydrophobicContact CE1-CG2 3.91Å; F9-V18 HydrophobicContact CZ-CG1 4.35Å; E14-V18 WeakPolarHBondContact O-CG2 3.48Å; E14-V18 PolarHBondContact O-N 3.32Å; E15-V18 PolarHBondContact O-N 3Å; L16-V18 VanDerWaalsContact C-N 3.28Å; L16-V18 PolarHBondContact O-N 3.07Å; V18-D20 VanDerWaalsContact C-N 3.31Å; V18-D20 PolarHBondContact O-N 3Å; V18-C21 CarbonylContact O-C 3.59Å; V18-C21 WeakPolarHBondContact O-CB 3.3Å; V18-C21 PolarHBondContact O-N 2.88Å; V18-C21 VanDerWaalsContact O-N 3.16Å; V18-L22 HydrophobicContact CG1-CD1 4.33Å; V18-L22 HydrophobicContact CG1-CG 4.26Å; V18-L22 VanDerWaalsContact O-CG 3.28Å; V18-L22 WeakPolarHBondContact O-CG 3.43Å; V18-L22 PolarHBondContact O-N 3.3Å
19	L	98.1	Very high	96.2	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-57.4	-43.5	175.7	-69	171.1	0	0	0	111.9	E15 L16 L22 A23 Y135 M136 R139 Y144 H223	E15-L19 WeakPolarHBondContact O-CG 3.47Å; E15-L19 PolarHBondContact O-N 2.98Å; L16-L19 WeakPolarHBondContact O-CB 3.26Å; L16-L19 PolarHBondContact O-N 3.36Å; L16-L19 VanDerWaalsContact O-N 3.12Å; L19-L22 HydrophobicContact CD2-CD1 4.47Å; L19-L22 WeakPolarHBondContact O-CB 3.33Å; L19-L22 PolarHBondContact O-N 2.87Å; L19-A23 PolarHBondContact O-N 3.11Å; L19-Y135 HydrophobicContact CD2-CD1 4.05Å; L19-Y135 HydrophobicContact CD2-CE1 3.57Å; L19-M136 HydrophobicContact CD2-CB 4.47Å; L19-M136 HydrophobicContact CD2-CG 4.43Å; L19-R139 HydrophobicContact CD1-CB 4.3Å; L19-R139 HydrophobicContact CD1-CG 3.98Å; L19-R139 HydrophobicContact CD2-CB 4.22Å; L19-R139 HydrophobicContact CD2-CG 4.45Å; L19-Y144 HydrophobicContact CD1-CD2 3.59Å; L19-Y144 HydrophobicContact CD1-CE2 3.67Å; L19-H223 WeakPolarHBondContact CB-NE2 3.29Å; L19-H223 PolarHBondContact O-CD2 2.67Å; L19-H223 PolarHBondContact O-NE2 2.81Å
20	D	98.4	Very high	96.5	Very high	51 Å²	51	65.4 Å²	65.4	27%	0.273	34%	0.337	S	S	.	.	H	α-helix	trans	-62.8	-45.3	175.1	-72.2	-30.5	0	0	0	111.1	L16 Y17 V18 L22 A23 Y24 H223	L16-D20 PolarHBondContact O-N 3.02Å; Y17-D20 PolarHBondContact O-N 2.68Å; V18-D20 VanDerWaalsContact C-N 3.31Å; V18-D20 PolarHBondContact O-N 3Å; D20-L22 VanDerWaalsContact C-N 3.29Å; D20-L22 PolarHBondContact O-N 3.23Å; D20-A23 WeakPolarHBondContact O-CB 3.38Å; D20-A23 PolarHBondContact O-N 3.17Å; D20-A23 VanDerWaalsContact O-N 3.11Å; D20-Y24 HydrophobicContact CB-CE2 4.4Å; D20-Y24 WeakPolarHBondContact O-CD2 3.29Å; D20-Y24 PolarHBondContact O-N 3.28Å; D20-H223 PolarHBondContact N-NE2 3.42Å; D20-H223 IonicContact OD1-CE1 3.14Å; D20-H223 PolarHBondContact OD1-CE1 3.21Å; D20-H223 IonicContact OD1-NE2 3.78Å; D20-H223 PolarHBondContact OD1-NE2 2.68Å
21	C	98.4	Very high	97	Very high	52 Å²	52	63.2 Å²	63.2	35%	0.351	32%	0.318	S	S	.	.	H	α-helix	trans	-58.3	-41.1	174.1	-73.4	0	0	0	0	112.1	Y17 V18 Y24 F25	Y17-C21 VanDerWaalsContact CE1-SG 3.59Å; Y17-C21 PolarHBondContact O-N 3.21Å; Y17-C21 PolarHBondContact O-SG 3.12Å; Y17-C21 VanDerWaalsContact O-SG 3.37Å; V18-C21 CarbonylContact O-C 3.59Å; V18-C21 WeakPolarHBondContact O-CB 3.3Å; V18-C21 PolarHBondContact O-N 2.88Å; V18-C21 VanDerWaalsContact O-N 3.16Å; C21-Y24 PolarHBondContact O-N 3.46Å; C21-F25 WeakPolarHBondContact O-CB 3.46Å; C21-F25 PolarHBondContact O-N 3.31Å
22	L	98.4	Very high	97.3	Very high	40 Å²	40	62.6 Å²	62.6	21%	0.209	31%	0.313	C	S	.	.	H	α-helix	trans	-60.4	-46.4	174.6	-66.1	178	0	0	0	109.8	V18 L19 D20 Y24 F25 M26 Y132 Y135 M136	V18-L22 HydrophobicContact CG1-CD1 4.33Å; V18-L22 HydrophobicContact CG1-CG 4.26Å; V18-L22 VanDerWaalsContact O-CG 3.28Å; V18-L22 WeakPolarHBondContact O-CG 3.43Å; V18-L22 PolarHBondContact O-N 3.3Å; L19-L22 HydrophobicContact CD2-CD1 4.47Å; L19-L22 WeakPolarHBondContact O-CB 3.33Å; L19-L22 PolarHBondContact O-N 2.87Å; D20-L22 VanDerWaalsContact C-N 3.29Å; D20-L22 PolarHBondContact O-N 3.23Å; L22-Y24 PolarHBondContact O-N 3.03Å; L22-F25 PolarHBondContact O-N 3.03Å; L22-M26 PolarHBondContact O-N 3.49Å; L22-Y132 HydrophobicContact CB-CD2 4.45Å; L22-Y132 HydrophobicContact CB-CE2 3.59Å; L22-Y132 HydrophobicContact CD1-CD2 4.31Å; L22-Y132 HydrophobicContact CD1-CE2 4.24Å; L22-Y132 HydrophobicContact CD2-CD2 3.91Å; L22-Y132 HydrophobicContact CD2-CE2 3.49Å; L22-Y132 VanDerWaalsContact CD2-CE2 3.49Å; L22-Y132 HydrophobicContact CG-CD2 4.41Å; L22-Y132 HydrophobicContact CG-CE2 3.9Å; L22-Y132 PolarHBondContact O-OH 3.04Å; L22-Y135 HydrophobicContact CD1-CD1 4.09Å; L22-Y135 HydrophobicContact CD1-CE1 4.15Å; L22-M136 HydrophobicContact CB-CG 4.29Å; L22-M136 HydrophobicContact CB-SD 3.92Å
23	A	98.7	Very high	97.5	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.4	-47.3	179.2	0	0	0	0	0	112.5	L19 D20 F25 M26 I27 M136 V222 S226	L19-A23 PolarHBondContact O-N 3.11Å; D20-A23 WeakPolarHBondContact O-CB 3.38Å; D20-A23 PolarHBondContact O-N 3.17Å; D20-A23 VanDerWaalsContact O-N 3.11Å; A23-F25 VanDerWaalsContact C-N 3.33Å; A23-F25 PolarHBondContact O-N 3.21Å; A23-M26 WeakPolarHBondContact O-CB 3.26Å; A23-M26 PolarHBondContact O-N 3.27Å; A23-M26 VanDerWaalsContact O-N 3.13Å; A23-I27 PolarHBondContact O-N 3Å; A23-I27 VanDerWaalsContact O-N 3.12Å; A23-M136 VanDerWaalsContact CA-SD 3.58Å; A23-M136 HydrophobicContact CB-SD 3.92Å; A23-M136 PolarHBondContact N-SD 2.62Å; A23-V222 HydrophobicContact CB-CG1 4.03Å; A23-V222 HydrophobicContact CB-CG2 4.15Å; A23-S226 VanDerWaalsContact O-CB 3.29Å; A23-S226 WeakPolarHBondContact O-CB 3.24Å
24	Y	98.6	Very high	97.5	Very high	146 Å²	146	57.4 Å²	57.4	57%	0.573	28%	0.282	S	S	*	.	H	α-helix	trans	-65.2	-37.4	176.9	-71.1	-63.2	0	0	0	112.5	D20 C21 L22 M26 I27 F28 V222	D20-Y24 HydrophobicContact CB-CE2 4.4Å; D20-Y24 WeakPolarHBondContact O-CD2 3.29Å; D20-Y24 PolarHBondContact O-N 3.28Å; C21-Y24 PolarHBondContact O-N 3.46Å; L22-Y24 PolarHBondContact O-N 3.03Å; Y24-M26 VanDerWaalsContact C-N 3.29Å; Y24-M26 PolarHBondContact O-N 2.94Å; Y24-I27 HydrophobicContact CD1-CD1 4.35Å; Y24-I27 PolarHBondContact O-N 2.95Å; Y24-F28 PolarHBondContact O-N 2.97Å; Y24-V222 HydrophobicContact CD1-CG2 4.39Å; Y24-V222 HydrophobicContact CE1-CG2 3.91Å
25	F	98.5	Very high	97.6	Very high	109 Å²	109	58.2 Å²	58.2	48%	0.478	29%	0.288	S	S	.	.	H	α-helix	trans	-61.8	-38.7	172.4	-179.3	-106.5	0	0	0	111.4	C21 L22 A23 I27 F28 M29	C21-F25 WeakPolarHBondContact O-CB 3.46Å; C21-F25 PolarHBondContact O-N 3.31Å; L22-F25 PolarHBondContact O-N 3.03Å; A23-F25 VanDerWaalsContact C-N 3.33Å; A23-F25 PolarHBondContact O-N 3.21Å; F25-I27 VanDerWaalsContact C-N 3.34Å; F25-I27 PolarHBondContact O-N 3.41Å; F25-F28 HydrophobicContact CD2-CD1 4.32Å; F25-F28 HydrophobicContact CE2-CD1 4.3Å; F25-F28 PolarHBondContact O-N 3.4Å; F25-M29 HydrophobicContact CD1-CG 3.96Å; F25-M29 HydrophobicContact CD2-CG 4.28Å; F25-M29 HydrophobicContact CE1-CG 3.52Å; F25-M29 HydrophobicContact CE1-SD 4.29Å; F25-M29 HydrophobicContact CE2-CG 3.86Å; F25-M29 HydrophobicContact CE2-SD 3.95Å; F25-M29 HydrophobicContact CG-CG 4.33Å; F25-M29 HydrophobicContact CZ-CG 3.46Å; F25-M29 VanDerWaalsContact CZ-CG 3.46Å; F25-M29 HydrophobicContact CZ-SD 3.64Å; F25-M29 WeakPolarHBondContact O-CB 3.34Å; F25-M29 VanDerWaalsContact O-CG 3.29Å; F25-M29 WeakPolarHBondContact O-CG 3.24Å; F25-M29 PolarHBondContact O-N 2.93Å
26	M	98.6	Very high	97.5	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-61.9	-42	175.2	-160	-176.4	-74.8	0	0	111.6	L22 A23 Y24 M29 A30 F129 Y132 N133 M136 F227 F230	L22-M26 PolarHBondContact O-N 3.49Å; A23-M26 WeakPolarHBondContact O-CB 3.26Å; A23-M26 PolarHBondContact O-N 3.27Å; A23-M26 VanDerWaalsContact O-N 3.13Å; Y24-M26 VanDerWaalsContact C-N 3.29Å; Y24-M26 PolarHBondContact O-N 2.94Å; M26-M29 CarbonylContact O-C 3.09Å; M26-M29 PolarHBondContact O-N 3.21Å; M26-A30 WeakPolarHBondContact O-CB 3.19Å; M26-A30 PolarHBondContact O-N 2.9Å; M26-F129 HydrophobicContact CE-CE2 4.09Å; M26-F129 HydrophobicContact CE-CZ 4.41Å; M26-F129 HydrophobicContact SD-CE2 4.32Å; M26-Y132 WeakPolarHBondContact CA-OH 3.45Å; M26-Y132 HydrophobicContact CB-CE1 4.34Å; M26-Y132 VanDerWaalsContact CB-OH 3.24Å; M26-Y132 WeakPolarHBondContact CB-OH 3.47Å; M26-Y132 HydrophobicContact CE-CD1 3.91Å; M26-Y132 HydrophobicContact CE-CE1 3.2Å; M26-Y132 HydrophobicContact CG-CE1 4.2Å; M26-Y132 PolarHBondContact N-OH 3.28Å; M26-N133 HydrophobicContact CE-CB 4.16Å; M26-N133 WeakPolarHBondContact CE-OD1 3.42Å; M26-M136 HydrophobicContact CE-CE 3.4Å; M26-M136 HydrophobicContact CE-SD 4.21Å; M26-M136 HydrophobicContact SD-CE 4.3Å; M26-F227 WeakPolarHBondContact SD-CA 3.16Å; M26-F227 HydrophobicContact SD-CB 4.02Å; M26-F227 HydrophobicContact SD-CD2 4.41Å; M26-F230 HydrophobicContact CG-CB 3.99Å; M26-F230 HydrophobicContact CG-CD2 4.13Å; M26-F230 HydrophobicContact CG-CG 4.14Å; M26-F230 HydrophobicContact SD-CB 3.96Å; M26-F230 HydrophobicContact SD-CG 4.42Å
27	I	98.4	Very high	97.4	Very high	58 Å²	58	60.4 Å²	60.4	30%	0.297	30%	0.303	S	S	.	.	H	α-helix	trans	-62.5	-46.3	176.8	-64.1	171.3	0	0	0	110.3	A23 Y24 F25 M29 A30 A31 V222	A23-I27 PolarHBondContact O-N 3Å; A23-I27 VanDerWaalsContact O-N 3.12Å; Y24-I27 HydrophobicContact CD1-CD1 4.35Å; Y24-I27 PolarHBondContact O-N 2.95Å; F25-I27 VanDerWaalsContact C-N 3.34Å; F25-I27 PolarHBondContact O-N 3.41Å; I27-M29 VanDerWaalsContact C-N 3.35Å; I27-M29 PolarHBondContact O-N 2.72Å; I27-A30 VanDerWaalsContact O-CB 3.31Å; I27-A30 WeakPolarHBondContact O-CB 3.49Å; I27-A30 PolarHBondContact O-N 3.48Å; I27-A30 VanDerWaalsContact O-N 3.16Å; I27-A31 PolarHBondContact O-N 3.49Å; I27-V222 HydrophobicContact CD1-CG2 4.37Å
28	F	98.2	Very high	97.1	Very high	123 Å²	123	58.2 Å²	58.2	54%	0.539	30%	0.301	S	S	.	.	H	α-helix	trans	-58.6	-46.9	174.7	171.3	-102	0	0	0	111.5	Y24 F25 A30 A31 C32	Y24-F28 PolarHBondContact O-N 2.97Å; F25-F28 HydrophobicContact CD2-CD1 4.32Å; F25-F28 HydrophobicContact CE2-CD1 4.3Å; F25-F28 PolarHBondContact O-N 3.4Å; F28-A30 VanDerWaalsContact C-N 3.26Å; F28-A30 PolarHBondContact O-N 3.22Å; F28-A31 WeakPolarHBondContact O-CB 3.43Å; F28-A31 PolarHBondContact O-N 2.99Å; F28-A31 VanDerWaalsContact O-N 3.14Å; F28-C32 WeakPolarHBondContact CZ-SG 3.34Å; F28-C32 PolarHBondContact O-N 3.45Å
29	M	97.6	Very high	96.9	Very high	66 Å²	66	64 Å²	64	33%	0.325	32%	0.323	S	S	.	.	H	α-helix	trans	-64.7	-31.2	176.8	-72.1	-54.4	-61.2	0	0	112.3	F25 M26 I27 C32 T33	F25-M29 HydrophobicContact CD1-CG 3.96Å; F25-M29 HydrophobicContact CD2-CG 4.28Å; F25-M29 HydrophobicContact CE1-CG 3.52Å; F25-M29 HydrophobicContact CE1-SD 4.29Å; F25-M29 HydrophobicContact CE2-CG 3.86Å; F25-M29 HydrophobicContact CE2-SD 3.95Å; F25-M29 HydrophobicContact CG-CG 4.33Å; F25-M29 HydrophobicContact CZ-CG 3.46Å; F25-M29 VanDerWaalsContact CZ-CG 3.46Å; F25-M29 HydrophobicContact CZ-SD 3.64Å; F25-M29 WeakPolarHBondContact O-CB 3.34Å; F25-M29 VanDerWaalsContact O-CG 3.29Å; F25-M29 WeakPolarHBondContact O-CG 3.24Å; F25-M29 PolarHBondContact O-N 2.93Å; M26-M29 CarbonylContact O-C 3.09Å; M26-M29 PolarHBondContact O-N 3.21Å; I27-M29 VanDerWaalsContact C-N 3.35Å; I27-M29 PolarHBondContact O-N 2.72Å; M29-C32 PolarHBondContact O-N 3.24Å; M29-T33 WeakPolarHBondContact O-CB 3.14Å; M29-T33 PolarHBondContact O-N 3.48Å; M29-T33 PolarHBondContact O-OG1 3.3Å
30	A	97.4	Very high	96.6	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-63.5	-44.6	173	0	0	0	0	0	110.5	M26 I27 F28 T33 F34 I229 F230 I233	M26-A30 WeakPolarHBondContact O-CB 3.19Å; M26-A30 PolarHBondContact O-N 2.9Å; I27-A30 VanDerWaalsContact O-CB 3.31Å; I27-A30 WeakPolarHBondContact O-CB 3.49Å; I27-A30 PolarHBondContact O-N 3.48Å; I27-A30 VanDerWaalsContact O-N 3.16Å; F28-A30 VanDerWaalsContact C-N 3.26Å; F28-A30 PolarHBondContact O-N 3.22Å; A30-T33 PolarHBondContact O-N 2.88Å; A30-F34 WeakPolarHBondContact O-CB 3.49Å; A30-F34 PolarHBondContact O-N 3.37Å; A30-I229 HydrophobicContact CB-CG2 4.14Å; A30-F230 HydrophobicContact CB-CB 4.19Å; A30-F230 HydrophobicContact CB-CD2 3.76Å; A30-F230 HydrophobicContact CB-CG 4.43Å; A30-I233 HydrophobicContact CB-CD1 3.7Å
31	A	97.6	Very high	96.3	Very high	50 Å²	50	67.9 Å²	67.9	41%	0.413	34%	0.342	S	S	.	.	H	α-helix	trans	-63.2	-45.9	175.3	0	0	0	0	0	112.4	I27 F28 T33 F34 I35	I27-A31 PolarHBondContact O-N 3.49Å; F28-A31 WeakPolarHBondContact O-CB 3.43Å; F28-A31 PolarHBondContact O-N 2.99Å; F28-A31 VanDerWaalsContact O-N 3.14Å; A31-T33 VanDerWaalsContact C-N 3.31Å; A31-T33 PolarHBondContact O-N 3.47Å; A31-F34 WeakPolarHBondContact O-CB 3.47Å; A31-F34 PolarHBondContact O-N 3Å; A31-I35 WeakPolarHBondContact O-CG1 3.44Å; A31-I35 PolarHBondContact O-N 2.83Å; A31-I35 VanDerWaalsContact O-N 3.09Å
32	C	97.3	Very high	95.8	Very high	44 Å²	44	67.1 Å²	67.1	30%	0.297	34%	0.335	S	S	.	.	H	α-helix	trans	-59.9	-42.5	174.5	-70.1	0	0	0	0	112	F28 M29 I35 T36	F28-C32 WeakPolarHBondContact CZ-SG 3.34Å; F28-C32 PolarHBondContact O-N 3.45Å; M29-C32 PolarHBondContact O-N 3.24Å; C32-I35 PolarHBondContact O-N 2.77Å; C32-T36 PolarHBondContact O-N 3.02Å; C32-T36 PolarHBondContact O-OG1 3.35Å; C32-T36 VanDerWaalsContact O-OG1 3.05Å
33	T	95.3	Very high	95.5	Very high	30 Å²	30	66.2 Å²	66.2	18%	0.184	33%	0.332	C	S	.	.	H	α-helix	trans	-64.3	-44.1	177.1	-61.2	0	0	0	0	110.7	M29 A30 A31 I35 T36 L37 V234	M29-T33 WeakPolarHBondContact O-CB 3.14Å; M29-T33 PolarHBondContact O-N 3.48Å; M29-T33 PolarHBondContact O-OG1 3.3Å; A30-T33 PolarHBondContact O-N 2.88Å; A31-T33 VanDerWaalsContact C-N 3.31Å; A31-T33 PolarHBondContact O-N 3.47Å; T33-I35 VanDerWaalsContact C-N 3.34Å; T33-I35 PolarHBondContact O-N 2.75Å; T33-T36 PolarHBondContact O-N 3.28Å; T33-L37 HydrophobicContact CG2-CD1 3.62Å; T33-L37 HydrophobicContact CG2-CG 3.97Å; T33-L37 WeakPolarHBondContact O-CB 3.24Å; T33-L37 WeakPolarHBondContact O-CG 3.41Å; T33-L37 PolarHBondContact O-N 3.42Å; T33-V234 HydrophobicContact CG2-CG2 3.87Å
34	F	95.8	Very high	95.1	Very high	95 Å²	95	68.3 Å²	68.3	42%	0.417	34%	0.34	S	S	.	.	H	α-helix	trans	-54.1	-51.2	174.9	176.3	-108.9	0	0	0	111	A30 A31 T36 L37 L38 I233	A30-F34 WeakPolarHBondContact O-CB 3.49Å; A30-F34 PolarHBondContact O-N 3.37Å; A31-F34 WeakPolarHBondContact O-CB 3.47Å; A31-F34 PolarHBondContact O-N 3Å; F34-T36 VanDerWaalsContact C-N 3.32Å; F34-T36 PolarHBondContact O-N 3.23Å; F34-L37 PolarHBondContact O-N 3.09Å; F34-L37 VanDerWaalsContact O-N 3.15Å; F34-L38 HydrophobicContact CE1-CD1 4.26Å; F34-L38 HydrophobicContact CE1-CD2 4.45Å; F34-L38 HydrophobicContact CE2-CD2 4.22Å; F34-L38 HydrophobicContact CZ-CD2 4.01Å; F34-L38 WeakPolarHBondContact O-CG 3.44Å; F34-L38 PolarHBondContact O-N 2.8Å; F34-L38 VanDerWaalsContact O-N 3.17Å; F34-I233 HydrophobicContact CB-CD1 4.29Å; F34-I233 HydrophobicContact CB-CG1 4.48Å; F34-I233 HydrophobicContact CB-CG2 3.63Å; F34-I233 HydrophobicContact CD2-CG2 4.29Å; F34-I233 HydrophobicContact CG-CG2 4.46Å
35	I	96.3	Very high	94.7	Very high	97 Å²	97	62.3 Å²	62.3	50%	0.497	32%	0.322	S	S	.	.	H	α-helix	trans	-58.5	-45.5	178.8	-64.6	167.7	0	0	0	110.7	A31 C32 T33 L37 L38 F39	A31-I35 WeakPolarHBondContact O-CG1 3.44Å; A31-I35 PolarHBondContact O-N 2.83Å; A31-I35 VanDerWaalsContact O-N 3.09Å; C32-I35 PolarHBondContact O-N 2.77Å; T33-I35 VanDerWaalsContact C-N 3.34Å; T33-I35 PolarHBondContact O-N 2.75Å; I35-L37 VanDerWaalsContact C-N 3.32Å; I35-L37 PolarHBondContact O-N 2.82Å; I35-L38 WeakPolarHBondContact O-CB 3.27Å; I35-L38 PolarHBondContact O-N 3.45Å; I35-F39 HydrophobicContact CG2-CE2 4.25Å; I35-F39 WeakPolarHBondContact O-CD2 3.04Å; I35-F39 WeakPolarHBondContact O-CE2 3.38Å
36	T	94.9	Very high	94.4	Very high	80 Å²	80	58.4 Å²	58.4	49%	0.491	31%	0.305	S	S	.	.	H	α-helix	trans	-63.7	-39.5	179.1	-58.7	0	0	0	0	111.5	C32 T33 F34 L38 F39 E40	C32-T36 PolarHBondContact O-N 3.02Å; C32-T36 PolarHBondContact O-OG1 3.35Å; C32-T36 VanDerWaalsContact O-OG1 3.05Å; T33-T36 PolarHBondContact O-N 3.28Å; F34-T36 VanDerWaalsContact C-N 3.32Å; F34-T36 PolarHBondContact O-N 3.23Å; T36-L38 PolarHBondContact O-N 2.74Å; T36-F39 PolarHBondContact O-N 3.36Å; T36-E40 PolarHBondContact O-N 3.41Å
37	L	93.8	Very high	94.1	Very high	26 Å²	26	60.2 Å²	60.2	14%	0.136	31%	0.312	C	S	.	.	H	α-helix	trans	-71.5	-12.2	-179.4	-67.1	-180	0	0	0	114.2	T33 F34 I35 E40 V42	T33-L37 HydrophobicContact CG2-CD1 3.62Å; T33-L37 HydrophobicContact CG2-CG 3.97Å; T33-L37 WeakPolarHBondContact O-CB 3.24Å; T33-L37 WeakPolarHBondContact O-CG 3.41Å; T33-L37 PolarHBondContact O-N 3.42Å; F34-L37 PolarHBondContact O-N 3.09Å; F34-L37 VanDerWaalsContact O-N 3.15Å; I35-L37 VanDerWaalsContact C-N 3.32Å; I35-L37 PolarHBondContact O-N 2.82Å; L37-E40 WeakPolarHBondContact CA-O 3.48Å; L37-E40 WeakPolarHBondContact CD2-O 3.23Å; L37-V42 HydrophobicContact CD1-CG2 4.34Å; L37-V42 HydrophobicContact CD2-CG2 3.53Å
38	L	91.1	Very high	93.7	Very high	109 Å²	109	58.8 Å²	58.8	57%	0.571	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-26.3	167.3	-61.6	178.7	0	0	0	112.2	F34 I35 T36	F34-L38 HydrophobicContact CE1-CD1 4.26Å; F34-L38 HydrophobicContact CE1-CD2 4.45Å; F34-L38 HydrophobicContact CE2-CD2 4.22Å; F34-L38 HydrophobicContact CZ-CD2 4.01Å; F34-L38 WeakPolarHBondContact O-CG 3.44Å; F34-L38 PolarHBondContact O-N 2.8Å; F34-L38 VanDerWaalsContact O-N 3.17Å; I35-L38 WeakPolarHBondContact O-CB 3.27Å; I35-L38 PolarHBondContact O-N 3.45Å; T36-L38 PolarHBondContact O-N 2.74Å
39	F	93.1	Very high	93.3	Very high	166 Å²	166	56 Å²	56	73%	0.728	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	-36	-173.9	-56.2	-76.5	0	0	0	113.2	I35 T36	I35-F39 HydrophobicContact CG2-CE2 4.25Å; I35-F39 WeakPolarHBondContact O-CD2 3.04Å; I35-F39 WeakPolarHBondContact O-CE2 3.38Å; T36-F39 PolarHBondContact O-N 3.36Å
40	E	92.1	Very high	93	Very high	77 Å²	77	57.9 Å²	57.9	36%	0.36	32%	0.321	S	S	.	.	S	Bend	trans	-129.1	143.7	-177.2	-64.1	-166.8	162.5	0	0	111.8	T36 L37 R51 Y52	T36-E40 PolarHBondContact O-N 3.41Å; L37-E40 WeakPolarHBondContact CA-O 3.48Å; L37-E40 WeakPolarHBondContact CD2-O 3.23Å; E40-R51 IonicContact OE1-CZ 3.57Å; E40-R51 IonicContact OE1-NH1 2.76Å; E40-R51 PolarHBondContact OE1-NH1 2.99Å; E40-R51 IonicContact OE1-NH2 3.21Å; E40-R51 IonicContact OE2-NH1 2.73Å; E40-Y52 PolarHBondContact OE2-OH 3.08Å
41	N	92.4	Very high	92.8	Very high	56 Å²	56	66.3 Å²	66.3	30%	0.299	35%	0.353	S	S	.	.			trans	-82.7	148.8	172.8	-60	-66.4	0	0	0	110.3	P43 Y47 A241	N41-P43 WeakPolarHBondContact O-CD 3.48Å; N41-P43 VanDerWaalsContact O-N 3.14Å; N41-Y47 HydrophobicContact CB-CD1 4.04Å; N41-Y47 HydrophobicContact CB-CD2 3.81Å; N41-Y47 HydrophobicContact CB-CE1 4.49Å; N41-Y47 HydrophobicContact CB-CE2 4.27Å; N41-Y47 HydrophobicContact CB-CG 3.69Å; N41-A241 WeakPolarHBondContact OD1-CB 3.29Å
42	V	88.6	Confident	92.6	Very high	36 Å²	36	66.7 Å²	66.7	22%	0.218	34%	0.344	C	S	.	.			trans	-55.5	121.9	173	-166.7	0	0	0	0	109.6	L37 Y44 V234	L37-V42 HydrophobicContact CD1-CG2 4.34Å; L37-V42 HydrophobicContact CD2-CG2 3.53Å; V42-Y44 VanDerWaalsContact C-N 3.25Å; V42-Y44 HydrophobicContact CB-CD1 4.27Å; V42-Y44 HydrophobicContact CB-CE1 4.24Å; V42-Y44 HydrophobicContact CG1-CD1 3.6Å; V42-Y44 HydrophobicContact CG1-CE1 3.66Å; V42-Y44 PolarHBondContact O-N 3.49Å; V42-V234 HydrophobicContact CG2-CG1 4.37Å
43	P	90.4	Very high	92.4	Very high	20 Å²	20	66.2 Å²	66.2	13%	0.13	35%	0.346	C	S	.	.	S	Bend	trans	-82.7	60	-163	30.3	-33.4	0	0	0	113.4	N41 T49 Y52 P119 S122	N41-P43 WeakPolarHBondContact O-CD 3.48Å; N41-P43 VanDerWaalsContact O-N 3.14Å; P43-T49 HydrophobicContact CB-CG2 4.43Å; P43-Y52 HydrophobicContact CB-CD2 3.25Å; P43-Y52 HydrophobicContact CB-CE2 3.47Å; P43-Y52 VanDerWaalsContact CB-CE2 3.47Å; P43-Y52 HydrophobicContact CB-CG 3.87Å; P43-Y52 HydrophobicContact CG-CD1 3.91Å; P43-Y52 HydrophobicContact CG-CD2 3.51Å; P43-Y52 HydrophobicContact CG-CE1 4.11Å; P43-Y52 HydrophobicContact CG-CE2 3.76Å; P43-Y52 HydrophobicContact CG-CG 3.61Å; P43-P119 WeakPolarHBondContact O-CD 3.49Å; P43-P119 WeakPolarHBondContact O-CG 3.34Å; P43-S122 WeakPolarHBondContact CG-OG 3.42Å; P43-S122 PolarHBondContact O-OG 3.1Å
44	Y	91.3	Very high	92.4	Very high	44 Å²	44	70.9 Å²	70.9	17%	0.173	36%	0.364	C	S	.	.	S	Bend	trans	-143.2	165.4	170.2	76.8	-94	0	0	0	112.9	V42 R46 Y47 W62 R238	V42-Y44 VanDerWaalsContact C-N 3.25Å; V42-Y44 HydrophobicContact CB-CD1 4.27Å; V42-Y44 HydrophobicContact CB-CE1 4.24Å; V42-Y44 HydrophobicContact CG1-CD1 3.6Å; V42-Y44 HydrophobicContact CG1-CE1 3.66Å; V42-Y44 PolarHBondContact O-N 3.49Å; Y44-R46 PolarHBondContact O-N 2.85Å; Y44-Y47 PolarHBondContact O-N 2.99Å; Y44-W62 AromaticContact CE2-CZ2 3.85Å; Y44-W62 HydrophobicContact CE2-CZ2 3.85Å; Y44-R238 VanDerWaalsContact CD2-NH2 3.28Å; Y44-R238 PolarHBondContact OH-NE 2.95Å; Y44-R238 PolarHBondContact OH-NH1 3.34Å; Y44-R238 VanDerWaalsContact OH-NH1 3.11Å
45	G	90.6	Very high	92.5	Very high	20 Å²	20	71.1 Å²	71.1	21%	0.206	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	65.1	-124.3	-176.5	0	0	0	0	0	111	Y47 A48 K116	G45-Y47 PolarHBondContact O-N 2.99Å; G45-A48 WeakPolarHBondContact O-CB 3.34Å; G45-A48 PolarHBondContact O-N 3.33Å; G45-K116 WeakPolarHBondContact O-CD 3.38Å
46	R	90.4	Very high	92.4	Very high	28 Å²	28	67.1 Å²	67.1	11%	0.106	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-64.9	-21.7	-178.7	68.2	-178.3	67	175.4	-2.1	114.1	Y44 Y189 H242 Y246	Y44-R46 PolarHBondContact O-N 2.85Å; R46-Y189 VanDerWaalsContact CA-OH 3.25Å; R46-Y189 WeakPolarHBondContact CA-OH 3.07Å; R46-Y189 HydrophobicContact CB-CE1 4.07Å; R46-Y189 HydrophobicContact CB-CE2 4.28Å; R46-Y189 WeakPolarHBondContact CB-OH 3.32Å; R46-Y189 PolarHBondContact N-OH 3.41Å; R46-H242 WeakPolarHBondContact CD-ND1 3.28Å; R46-H242 PolarHBondContact NE-CE1 3.5Å; R46-H242 PolarHBondContact NE-ND1 3.29Å; R46-H242 PolarHBondContact NH1-O 3.26Å; R46-Y246 VanDerWaalsContact NH1-CE2 3.31Å; R46-Y246 VanDerWaalsContact NH2-CZ 3.26Å; R46-Y246 PolarHBondContact NH2-OH 3.45Å
47	Y	92.8	Very high	92.4	Very high	40 Å²	40	67.9 Å²	67.9	16%	0.157	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-102.5	10.8	179.9	-45.5	-64.9	0	0	0	113.4	N41 Y44 G45 T49 A241 H242	N41-Y47 HydrophobicContact CB-CD1 4.04Å; N41-Y47 HydrophobicContact CB-CD2 3.81Å; N41-Y47 HydrophobicContact CB-CE1 4.49Å; N41-Y47 HydrophobicContact CB-CE2 4.27Å; N41-Y47 HydrophobicContact CB-CG 3.69Å; Y44-Y47 PolarHBondContact O-N 2.99Å; G45-Y47 PolarHBondContact O-N 2.99Å; Y47-T49 PolarHBondContact O-N 3.47Å; Y47-A241 HydrophobicContact CE2-CB 4.1Å; Y47-A241 WeakPolarHBondContact OH-CB 3.49Å; Y47-A241 PolarHBondContact OH-O 3.46Å; Y47-H242 AromaticContact CE2-CE1 3.45Å; Y47-H242 VanDerWaalsContact CE2-CE1 3.45Å; Y47-H242 WeakPolarHBondContact CE2-CE1 3.14Å; Y47-H242 AromaticContact CE2-ND1 3.43Å; Y47-H242 WeakPolarHBondContact CE2-ND1 3.38Å; Y47-H242 AromaticContact CZ-ND1 3.59Å; Y47-H242 WeakPolarHBondContact OH-CA 3.41Å; Y47-H242 PolarHBondContact OH-N 3.13Å; Y47-H242 VanDerWaalsContact OH-N 3.14Å; Y47-H242 PolarHBondContact OH-ND1 2.86Å
48	A	90.2	Very high	92.3	Very high	27 Å²	27	67.6 Å²	67.6	22%	0.223	36%	0.356	C	S	.	.			trans	-61	134.3	177.8	0	0	0	0	0	111.3	G45 P119	G45-A48 WeakPolarHBondContact O-CB 3.34Å; G45-A48 PolarHBondContact O-N 3.33Å; A48-P119 HydrophobicContact CB-CG 4.13Å
49	T	91	Very high	92.4	Very high	64 Å²	64	67.1 Å²	67.1	39%	0.393	35%	0.349	S	S	.	.			trans	-144.2	149.4	178.1	176.3	0	0	0	0	110.2	P43 Y47 R51 Y52 P119	P43-T49 HydrophobicContact CB-CG2 4.43Å; Y47-T49 PolarHBondContact O-N 3.47Å; T49-R51 HydrophobicContact CG2-CB 4.07Å; T49-R51 PolarHBondContact O-N 2.88Å; T49-Y52 HydrophobicContact CG2-CD2 3.45Å; T49-Y52 VanDerWaalsContact CG2-CD2 3.45Å; T49-Y52 HydrophobicContact CG2-CE2 3.53Å; T49-Y52 PolarHBondContact O-N 3.44Å; T49-P119 WeakPolarHBondContact O-CG 3.28Å
50	S	90.9	Very high	92.6	Very high	107 Å²	107	64.6 Å²	64.6	75%	0.748	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-68.2	-13.2	-179.8	51.6	0	0	0	0	113.8	Y52 G53	S50-Y52 PolarHBondContact O-N 3.34Å; S50-Y52 VanDerWaalsContact O-N 3.16Å; S50-G53 PolarHBondContact O-N 3.41Å
51	R	93.4	Very high	92.7	Very high	176 Å²	176	60.9 Å²	60.9	66%	0.664	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-55.1	-30.5	175	-174.3	-176.6	179.8	-161.4	2.5	112.8	E40 T49	E40-R51 IonicContact OE1-CZ 3.57Å; E40-R51 IonicContact OE1-NH1 2.76Å; E40-R51 PolarHBondContact OE1-NH1 2.99Å; E40-R51 IonicContact OE1-NH2 3.21Å; E40-R51 IonicContact OE2-NH1 2.73Å; T49-R51 HydrophobicContact CG2-CB 4.07Å; T49-R51 PolarHBondContact O-N 2.88Å
52	Y	92.4	Very high	92.9	Very high	59 Å²	59	59.9 Å²	59.9	23%	0.231	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-102.1	30.5	-176.1	-57.6	-86.2	0	0	0	112.9	E40 P43 T49 S50 P119 A121	E40-Y52 PolarHBondContact OE2-OH 3.08Å; P43-Y52 HydrophobicContact CB-CD2 3.25Å; P43-Y52 HydrophobicContact CB-CE2 3.47Å; P43-Y52 VanDerWaalsContact CB-CE2 3.47Å; P43-Y52 HydrophobicContact CB-CG 3.87Å; P43-Y52 HydrophobicContact CG-CD1 3.91Å; P43-Y52 HydrophobicContact CG-CD2 3.51Å; P43-Y52 HydrophobicContact CG-CE1 4.11Å; P43-Y52 HydrophobicContact CG-CE2 3.76Å; P43-Y52 HydrophobicContact CG-CG 3.61Å; T49-Y52 HydrophobicContact CG2-CD2 3.45Å; T49-Y52 VanDerWaalsContact CG2-CD2 3.45Å; T49-Y52 HydrophobicContact CG2-CE2 3.53Å; T49-Y52 PolarHBondContact O-N 3.44Å; S50-Y52 PolarHBondContact O-N 3.34Å; S50-Y52 VanDerWaalsContact O-N 3.16Å; Y52-P119 WeakPolarHBondContact O-CB 3.35Å; Y52-A121 WeakPolarHBondContact O-CB 3.35Å; Y52-A121 PolarHBondContact O-N 3.39Å
53	G	94	Very high	93.3	Very high	33 Å²	33	61.1 Å²	61.1	34%	0.34	32%	0.315	S	S	.	.			trans	102	-178.6	172.6	0	0	0	0	0	114.4	S50	S50-G53 PolarHBondContact O-N 3.41Å
54	F	95.5	Very high	93.6	Very high	129 Å²	129	61.8 Å²	61.8	57%	0.566	32%	0.319	S	S	*	.	S	Bend	trans	-67.7	152	-176.9	61.8	-93.4	0	0	0	111.8	V56 F120	F54-V56 HydrophobicContact CD2-CG2 4.34Å; F54-V56 HydrophobicContact CE2-CG2 4.03Å; F54-V56 PolarHBondContact O-N 2.88Å; F54-F120 HydrophobicContact CD1-CB 4.04Å; F54-F120 HydrophobicContact CD1-CG 4.25Å; F54-F120 HydrophobicContact CD2-CB 4.28Å; F54-F120 HydrophobicContact CE1-CB 3.88Å; F54-F120 AromaticContact CE1-CD1 3.98Å; F54-F120 HydrophobicContact CE1-CD1 3.98Å; F54-F120 AromaticContact CE1-CD2 3.78Å; F54-F120 HydrophobicContact CE1-CD2 3.78Å; F54-F120 HydrophobicContact CE1-CE1 4.48Å; F54-F120 HydrophobicContact CE1-CE2 4.31Å; F54-F120 AromaticContact CE1-CG 3.59Å; F54-F120 HydrophobicContact CE1-CG 3.59Å; F54-F120 HydrophobicContact CE2-CB 4.13Å; F54-F120 AromaticContact CE2-CD2 3.76Å; F54-F120 HydrophobicContact CE2-CD2 3.76Å; F54-F120 HydrophobicContact CE2-CG 4.14Å; F54-F120 HydrophobicContact CG-CB 4.24Å; F54-F120 HydrophobicContact CZ-CB 3.93Å; F54-F120 HydrophobicContact CZ-CD1 4.27Å; F54-F120 AromaticContact CZ-CD2 3.22Å; F54-F120 HydrophobicContact CZ-CD2 3.22Å; F54-F120 AromaticContact CZ-CE2 3.72Å; F54-F120 HydrophobicContact CZ-CE2 3.72Å; F54-F120 AromaticContact CZ-CG 3.53Å; F54-F120 HydrophobicContact CZ-CG 3.53Å; F54-F120 HydrophobicContact CZ-CZ 4.42Å; F54-F120 WeakPolarHBondContact O-CB 3.25Å; F54-F120 PolarHBondContact O-N 3.3Å
55	P	96.3	Very high	93.9	Very high	99 Å²	99	60.2 Å²	60.2	64%	0.643	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	127.6	-178.6	28.5	-33.9	0	0	0	111.5
56	V	96.1	Very high	94.3	Very high	13 Å²	13	60.4 Å²	60.4	8%	0.079	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	137.1	170.9	-173.4	0	0	0	0	109	F54 V58 F60 A61 S117 T118 F120 F123	F54-V56 HydrophobicContact CD2-CG2 4.34Å; F54-V56 HydrophobicContact CE2-CG2 4.03Å; F54-V56 PolarHBondContact O-N 2.88Å; V56-V58 PolarHBondContact O-N 3.32Å; V56-F60 HydrophobicContact CG1-CD1 3.77Å; V56-F60 HydrophobicContact CG1-CE1 4.4Å; V56-A61 HydrophobicContact CB-CB 4.32Å; V56-A61 HydrophobicContact CG1-CB 3.91Å; V56-S117 CarbonylContact O-C 3.57Å; V56-S117 WeakPolarHBondContact O-CA 3.48Å; V56-S117 VanDerWaalsContact O-CB 3.28Å; V56-S117 WeakPolarHBondContact O-CB 3.35Å; V56-T118 WeakPolarHBondContact CB-O 3.26Å; V56-T118 PolarHBondContact N-O 3.11Å; V56-T118 PolarHBondContact O-N 2.88Å; V56-F120 HydrophobicContact CG2-CB 4.12Å; V56-F120 HydrophobicContact CG2-CD2 4.05Å; V56-F123 HydrophobicContact CG2-CD1 4.36Å
57	N	94.4	Very high	94.6	Very high	97 Å²	97	60.8 Å²	60.8	52%	0.519	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-53.8	131.1	176.8	177.2	-78.8	0	0	0	110.5	K59 F60 A61	N57-K59 PolarHBondContact O-N 2.88Å; N57-K59 PolarHBondContact OD1-N 3.5Å; N57-F60 HydrophobicContact CB-CB 4.14Å; N57-F60 PolarHBondContact O-N 3.31Å; N57-F60 PolarHBondContact OD1-N 3.07Å; N57-A61 WeakPolarHBondContact O-CB 3.42Å; N57-A61 PolarHBondContact O-N 2.85Å
58	V	92.2	Very high	94.9	Very high	20 Å²	20	59.4 Å²	59.4	12%	0.121	31%	0.308	C	S	.	.	H	α-helix	trans	-60.3	-40.3	-172.1	66	0	0	0	0	113.5	V56 W62 I112	V56-V58 PolarHBondContact O-N 3.32Å; V58-W62 VanDerWaalsContact O-CD1 3.23Å; V58-W62 PolarHBondContact O-N 3.33Å; V58-I112 HydrophobicContact CG1-CG2 4.24Å
59	K	93.2	Very high	95.3	Very high	98 Å²	98	58.1 Å²	58.1	43%	0.426	30%	0.298	S	S	.	.	H	α-helix	trans	-68.4	-44.7	-179.9	-64.6	-169.9	176.6	-162.8	0	111	N57 F63 I112	N57-K59 PolarHBondContact O-N 2.88Å; N57-K59 PolarHBondContact OD1-N 3.5Å; K59-F63 WeakPolarHBondContact O-CB 3.38Å; K59-F63 PolarHBondContact O-N 3.49Å; K59-I112 WeakPolarHBondContact CE-O 3.39Å; K59-I112 HydrophobicContact CG-CB 4.29Å; K59-I112 HydrophobicContact CG-CG2 4.41Å; K59-I112 PolarHBondContact NZ-O 3.08Å
60	F	95.6	Very high	95.6	Very high	113 Å²	113	56.4 Å²	56.4	50%	0.496	29%	0.285	S	S	.	.	H	α-helix	trans	-61.9	-47.1	176.3	179.9	-93.4	0	0	0	111.3	V56 N57 W62 F63 V64 F123	V56-F60 HydrophobicContact CG1-CD1 3.77Å; V56-F60 HydrophobicContact CG1-CE1 4.4Å; N57-F60 HydrophobicContact CB-CB 4.14Å; N57-F60 PolarHBondContact O-N 3.31Å; N57-F60 PolarHBondContact OD1-N 3.07Å; F60-W62 PolarHBondContact O-N 3.01Å; F60-F63 PolarHBondContact O-N 3.13Å; F60-V64 HydrophobicContact CD1-CG2 4.33Å; F60-V64 HydrophobicContact CD2-CG2 4.04Å; F60-V64 HydrophobicContact CE1-CB 4.47Å; F60-V64 HydrophobicContact CE1-CG2 4Å; F60-V64 HydrophobicContact CE2-CG2 3.68Å; F60-V64 HydrophobicContact CG-CG2 4.36Å; F60-V64 HydrophobicContact CZ-CG2 3.67Å; F60-V64 WeakPolarHBondContact O-CB 3.5Å; F60-V64 WeakPolarHBondContact O-CG2 3.32Å; F60-V64 PolarHBondContact O-N 3.11Å; F60-F123 HydrophobicContact CE1-CZ 4.44Å
61	A	95.9	Very high	95.9	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-57.4	-51.8	179.4	0	0	0	0	0	111.3	V56 N57 V64 Q65 T118 F123	V56-A61 HydrophobicContact CB-CB 4.32Å; V56-A61 HydrophobicContact CG1-CB 3.91Å; N57-A61 WeakPolarHBondContact O-CB 3.42Å; N57-A61 PolarHBondContact O-N 2.85Å; A61-V64 PolarHBondContact O-N 3.37Å; A61-Q65 WeakPolarHBondContact O-CB 3.42Å; A61-Q65 WeakPolarHBondContact O-CG 3.4Å; A61-Q65 PolarHBondContact O-N 3.02Å; A61-T118 HydrophobicContact CB-CG2 4.35Å; A61-F123 HydrophobicContact CB-CB 4.49Å; A61-F123 HydrophobicContact CB-CD2 3.79Å; A61-F123 HydrophobicContact CB-CE2 4.48Å; A61-F123 HydrophobicContact CB-CG 4.39Å; A61-F123 WeakPolarHBondContact O-CD2 3.35Å; A61-F123 WeakPolarHBondContact O-CE2 3.2Å
62	W	95.1	Very high	96.1	Very high	34 Å²	34	47.9 Å²	47.9	13%	0.129	25%	0.245	C	C	.	.	H	α-helix	trans	-66.5	-37.2	179.7	-83.6	86.8	0	0	0	113.3	Y44 V58 F60 E66 Y108 P109 I112	Y44-W62 AromaticContact CE2-CZ2 3.85Å; Y44-W62 HydrophobicContact CE2-CZ2 3.85Å; V58-W62 VanDerWaalsContact O-CD1 3.23Å; V58-W62 PolarHBondContact O-N 3.33Å; F60-W62 PolarHBondContact O-N 3.01Å; W62-E66 HydrophobicContact CE3-CG 4.1Å; W62-E66 WeakPolarHBondContact O-CB 3.05Å; W62-E66 WeakPolarHBondContact O-CG 3.42Å; W62-E66 PolarHBondContact O-N 3.3Å; W62-Y108 AromaticContact CD2-CE1 3.99Å; W62-Y108 HydrophobicContact CD2-CE1 3.99Å; W62-Y108 HydrophobicContact CE3-CD1 4.12Å; W62-Y108 AromaticContact CE3-CE1 3.72Å; W62-Y108 HydrophobicContact CE3-CE1 3.72Å; W62-Y108 HydrophobicContact CH2-CE1 4.47Å; W62-Y108 AromaticContact CZ3-CE1 3.99Å; W62-Y108 HydrophobicContact CZ3-CE1 3.99Å; W62-P109 HydrophobicContact CB-CB 4.17Å; W62-P109 HydrophobicContact CB-CG 4.33Å; W62-I112 HydrophobicContact CB-CD1 3.76Å; W62-I112 HydrophobicContact CD2-CD1 4.46Å; W62-I112 HydrophobicContact CG-CD1 3.76Å
63	F	97	Very high	96.4	Very high	63 Å²	63	45.1 Å²	45.1	28%	0.276	23%	0.234	S	C	.	.	H	α-helix	trans	-64.4	-53.2	175.2	178	-116.1	0	0	0	110.8	K59 F60 L67 S105 L106 P109 F110	K59-F63 WeakPolarHBondContact O-CB 3.38Å; K59-F63 PolarHBondContact O-N 3.49Å; F60-F63 PolarHBondContact O-N 3.13Å; F63-L67 HydrophobicContact CE1-CD2 4.24Å; F63-L67 HydrophobicContact CE2-CD1 4.36Å; F63-L67 HydrophobicContact CZ-CD1 4.47Å; F63-L67 HydrophobicContact CZ-CD2 4.03Å; F63-L67 VanDerWaalsContact O-CB 3.26Å; F63-L67 WeakPolarHBondContact O-CB 3.3Å; F63-L67 PolarHBondContact O-N 2.95Å; F63-S105 WeakPolarHBondContact CD2-O 3.47Å; F63-L106 HydrophobicContact CE2-CD2 4.28Å; F63-P109 HydrophobicContact CB-CB 3.91Å; F63-P109 HydrophobicContact CB-CG 4.39Å; F63-F110 AromaticContact CD2-CE2 3.69Å; F63-F110 HydrophobicContact CD2-CE2 3.69Å; F63-F110 AromaticContact CD2-CZ 3.73Å; F63-F110 HydrophobicContact CD2-CZ 3.73Å; F63-F110 AromaticContact CE2-CE2 3.76Å; F63-F110 HydrophobicContact CE2-CE2 3.76Å; F63-F110 AromaticContact CE2-CZ 3.67Å; F63-F110 HydrophobicContact CE2-CZ 3.67Å; F63-F110 HydrophobicContact CG-CZ 4.37Å; F63-F110 HydrophobicContact CZ-CZ 4.24Å
64	V	98	Very high	96.5	Very high	33 Å²	33	46.3 Å²	46.3	20%	0.2	23%	0.232	C	C	.	.	H	α-helix	trans	-72.2	-38.8	-173.2	176	0	0	0	0	112.1	F60 A61 E66 P68 F123 F127	F60-V64 HydrophobicContact CD1-CG2 4.33Å; F60-V64 HydrophobicContact CD2-CG2 4.04Å; F60-V64 HydrophobicContact CE1-CB 4.47Å; F60-V64 HydrophobicContact CE1-CG2 4Å; F60-V64 HydrophobicContact CE2-CG2 3.68Å; F60-V64 HydrophobicContact CG-CG2 4.36Å; F60-V64 HydrophobicContact CZ-CG2 3.67Å; F60-V64 WeakPolarHBondContact O-CB 3.5Å; F60-V64 WeakPolarHBondContact O-CG2 3.32Å; F60-V64 PolarHBondContact O-N 3.11Å; A61-V64 PolarHBondContact O-N 3.37Å; V64-E66 PolarHBondContact O-N 3.48Å; V64-P68 WeakPolarHBondContact O-CD 3.41Å; V64-F123 HydrophobicContact CB-CE2 3.85Å; V64-F123 HydrophobicContact CB-CZ 4.04Å; V64-F123 HydrophobicContact CG1-CE2 3.94Å; V64-F123 HydrophobicContact CG1-CZ 3.7Å; V64-F127 HydrophobicContact CG1-CD2 4.07Å; V64-F127 HydrophobicContact CG1-CE2 4.06Å; V64-F127 VanDerWaalsContact O-CD2 3.29Å; V64-F127 WeakPolarHBondContact O-CD2 3.35Å
65	Q	97.7	Very high	96.5	Very high	12 Å²	12	41.4 Å²	41.4	6%	0.056	21%	0.214	C	C	.	.	H	α-helix	trans	-67.8	-35	-177.3	79.8	-172	23.8	0	0	112.6	A61 P68 F123 A126 F127 C130	A61-Q65 WeakPolarHBondContact O-CB 3.42Å; A61-Q65 WeakPolarHBondContact O-CG 3.4Å; A61-Q65 PolarHBondContact O-N 3.02Å; Q65-P68 WeakPolarHBondContact O-CD 3.46Å; Q65-F123 HydrophobicContact CB-CD2 3.82Å; Q65-F123 HydrophobicContact CB-CE2 3.94Å; Q65-A126 HydrophobicContact CB-CB 3.91Å; Q65-A126 HydrophobicContact CG-CB 4.02Å; Q65-F127 HydrophobicContact CB-CB 4.44Å; Q65-C130 VanDerWaalsContact O-CB 3.23Å; Q65-C130 WeakPolarHBondContact O-CB 3.37Å; Q65-C130 PolarHBondContact O-SG 3.08Å
66	E	97.6	Very high	96.5	Very high	24 Å²	24	36.8 Å²	36.8	11%	0.112	18%	0.184	C	C	.	.	H	α-helix	trans	-89.3	-20.9	-176.2	-57	-61.7	152	0	0	112.3	W62 V64 P68 A69 R104 S105	W62-E66 HydrophobicContact CE3-CG 4.1Å; W62-E66 WeakPolarHBondContact O-CB 3.05Å; W62-E66 WeakPolarHBondContact O-CG 3.42Å; W62-E66 PolarHBondContact O-N 3.3Å; V64-E66 PolarHBondContact O-N 3.48Å; E66-P68 VanDerWaalsContact C-CD 3.45Å; E66-A69 PolarHBondContact O-N 2.96Å; E66-R104 HydrophobicContact CB-CG 4.41Å; E66-R104 HydrophobicContact CG-CG 4.08Å; E66-S105 VanDerWaalsContact C-OG 3.3Å; E66-S105 WeakPolarHBondContact CB-OG 3.25Å; E66-S105 PolarHBondContact O-OG 3.41Å
67	L	97.9	Very high	96.4	Very high	35 Å²	35	38.2 Å²	38.2	18%	0.183	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-38	-176.3	-173.1	63	0	0	0	114.2	F63 A69 F70 L71 L106	F63-L67 HydrophobicContact CE1-CD2 4.24Å; F63-L67 HydrophobicContact CE2-CD1 4.36Å; F63-L67 HydrophobicContact CZ-CD1 4.47Å; F63-L67 HydrophobicContact CZ-CD2 4.03Å; F63-L67 VanDerWaalsContact O-CB 3.26Å; F63-L67 WeakPolarHBondContact O-CB 3.3Å; F63-L67 PolarHBondContact O-N 2.95Å; L67-A69 VanDerWaalsContact C-N 3.28Å; L67-A69 PolarHBondContact O-N 3.27Å; L67-F70 PolarHBondContact O-N 3.46Å; L67-L71 HydrophobicContact CD1-CD1 3.97Å; L67-L71 HydrophobicContact CD1-CD2 4.44Å; L67-L71 HydrophobicContact CD1-CG 3.84Å; L67-L71 HydrophobicContact CD2-CD1 3.77Å; L67-L71 HydrophobicContact CG-CD1 3.55Å; L67-L71 HydrophobicContact CG-CG 3.82Å; L67-L71 PolarHBondContact O-N 2.84Å; L67-L106 HydrophobicContact CD1-CD2 3.85Å
68	P	98.4	Very high	96.4	Very high	11 Å²	11	38.5 Å²	38.5	7%	0.071	19%	0.193	C	C	.	.	H	α-helix	trans	-61.6	-33.1	177.1	-24	33.2	0	0	0	114.1	V64 Q65 E66 F70 L71 V72 P73 F127 C130 I131	V64-P68 WeakPolarHBondContact O-CD 3.41Å; Q65-P68 WeakPolarHBondContact O-CD 3.46Å; E66-P68 VanDerWaalsContact C-CD 3.45Å; P68-F70 PolarHBondContact O-N 3.49Å; P68-L71 PolarHBondContact O-N 2.86Å; P68-V72 HydrophobicContact CB-CG2 4.39Å; P68-V72 VanDerWaalsContact O-CB 3.29Å; P68-V72 WeakPolarHBondContact O-CB 3.37Å; P68-V72 PolarHBondContact O-N 2.92Å; P68-P73 WeakPolarHBondContact O-CD 3.32Å; P68-F127 HydrophobicContact CG-CD2 3.56Å; P68-F127 HydrophobicContact CG-CE1 4.5Å; P68-F127 HydrophobicContact CG-CE2 3.3Å; P68-F127 HydrophobicContact CG-CG 4.26Å; P68-F127 HydrophobicContact CG-CZ 3.82Å; P68-C130 HydrophobicContact CB-CB 4.2Å; P68-I131 HydrophobicContact CB-CB 4.38Å; P68-I131 HydrophobicContact CB-CD1 4.43Å; P68-I131 HydrophobicContact CB-CG1 3.39Å; P68-I131 HydrophobicContact CG-CG1 3.96Å
69	A	97.9	Very high	96.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-69.7	-10.9	177.3	0	0	0	0	0	112.8	E66 L67 P73 Y97 Y101 C130	E66-A69 PolarHBondContact O-N 2.96Å; L67-A69 VanDerWaalsContact C-N 3.28Å; L67-A69 PolarHBondContact O-N 3.27Å; A69-P73 VanDerWaalsContact O-CG 3.27Å; A69-P73 WeakPolarHBondContact O-CG 3.31Å; A69-Y97 VanDerWaalsContact O-CE1 3.25Å; A69-Y97 WeakPolarHBondContact O-CE1 3.08Å; A69-Y97 PolarHBondContact O-OH 3.49Å; A69-Y101 HydrophobicContact CB-CD1 3.49Å; A69-Y101 VanDerWaalsContact CB-CD1 3.49Å; A69-Y101 HydrophobicContact CB-CD2 4.39Å; A69-Y101 HydrophobicContact CB-CE1 3.18Å; A69-Y101 HydrophobicContact CB-CE2 4.13Å; A69-Y101 HydrophobicContact CB-CG 4.08Å; A69-C130 WeakPolarHBondContact CA-O 3.3Å; A69-C130 HydrophobicContact CB-CB 3.7Å
70	F	98.3	Very high	96	Very high	29 Å²	29	40.9 Å²	40.9	13%	0.127	20%	0.199	C	C	.	.	H	α-helix	trans	-98.7	-52.3	167	176.7	-101.1	0	0	0	111.7	L67 P68 L74 F98 V102 L106	L67-F70 PolarHBondContact O-N 3.46Å; P68-F70 PolarHBondContact O-N 3.49Å; F70-L74 HydrophobicContact CE1-CD2 3.86Å; F70-L74 HydrophobicContact CZ-CD2 4.03Å; F70-L74 WeakPolarHBondContact O-CB 3.34Å; F70-L74 PolarHBondContact O-N 3.21Å; F70-F98 AromaticContact CD2-CD1 3.83Å; F70-F98 HydrophobicContact CD2-CD1 3.83Å; F70-F98 HydrophobicContact CD2-CE1 4.25Å; F70-F98 AromaticContact CE2-CD1 3.81Å; F70-F98 HydrophobicContact CE2-CD1 3.81Å; F70-F98 HydrophobicContact CE2-CE1 4.28Å; F70-V102 HydrophobicContact CD2-CG2 4.06Å; F70-V102 HydrophobicContact CE2-CG2 3.53Å; F70-V102 HydrophobicContact CZ-CG2 4.35Å; F70-L106 HydrophobicContact CD1-CD1 4.22Å; F70-L106 HydrophobicContact CE1-CD1 3.89Å; F70-L106 HydrophobicContact CE2-CD1 4.4Å; F70-L106 HydrophobicContact CZ-CD1 3.99Å
71	L	98.1	Very high	95.3	Very high	75 Å²	75	38.3 Å²	38.3	39%	0.393	20%	0.195	S	C	.	.	H	α-helix	trans	-69.1	-42.4	-171.7	-70.5	-176.3	0	0	0	113.2	L67 P68 L74 C75	L67-L71 HydrophobicContact CD1-CD1 3.97Å; L67-L71 HydrophobicContact CD1-CD2 4.44Å; L67-L71 HydrophobicContact CD1-CG 3.84Å; L67-L71 HydrophobicContact CD2-CD1 3.77Å; L67-L71 HydrophobicContact CG-CD1 3.55Å; L67-L71 HydrophobicContact CG-CG 3.82Å; L67-L71 PolarHBondContact O-N 2.84Å; P68-L71 PolarHBondContact O-N 2.86Å; L71-L74 PolarHBondContact O-N 3.29Å; L71-C75 WeakPolarHBondContact O-CB 3.44Å; L71-C75 PolarHBondContact O-N 2.93Å; L71-C75 PolarHBondContact O-SG 2.87Å
72	V	97.3	Very high	94.7	Very high	29 Å²	29	39 Å²	39	18%	0.176	20%	0.201	C	C	.	.	H	α-helix	trans	-62.2	-52.3	179.4	172.7	0	0	0	0	110	P68 L74 C75 L76	P68-V72 HydrophobicContact CB-CG2 4.39Å; P68-V72 VanDerWaalsContact O-CB 3.29Å; P68-V72 WeakPolarHBondContact O-CB 3.37Å; P68-V72 PolarHBondContact O-N 2.92Å; V72-L74 VanDerWaalsContact C-N 3.33Å; V72-L74 PolarHBondContact O-N 3.23Å; V72-C75 WeakPolarHBondContact O-CB 3.41Å; V72-C75 PolarHBondContact O-N 2.88Å; V72-C75 VanDerWaalsContact O-N 3.17Å; V72-L76 HydrophobicContact CG1-CD1 4.37Å; V72-L76 WeakPolarHBondContact O-CG 3.16Å; V72-L76 PolarHBondContact O-N 3.3Å
73	P	97.5	Very high	94.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-49.9	-45.7	168.8	-39.9	46.2	0	0	0	115.7	P68 A69 C75 L76 V77 Y97 F98 G134 V138	P68-P73 WeakPolarHBondContact O-CD 3.32Å; A69-P73 VanDerWaalsContact O-CG 3.27Å; A69-P73 WeakPolarHBondContact O-CG 3.31Å; P73-C75 VanDerWaalsContact C-N 3.32Å; P73-C75 PolarHBondContact O-N 3.03Å; P73-L76 WeakPolarHBondContact O-CB 3.46Å; P73-L76 PolarHBondContact O-N 3.43Å; P73-V77 PolarHBondContact O-N 2.89Å; P73-Y97 HydrophobicContact CB-CE1 4Å; P73-Y97 HydrophobicContact CG-CE1 3.67Å; P73-F98 HydrophobicContact CB-CE1 3.7Å; P73-F98 HydrophobicContact CB-CZ 3.58Å; P73-G134 WeakPolarHBondContact CG-O 3.34Å; P73-V138 HydrophobicContact CB-CB 3.79Å; P73-V138 HydrophobicContact CB-CG1 3.87Å; P73-V138 HydrophobicContact CB-CG2 3.61Å; P73-V138 HydrophobicContact CG-CB 4Å; P73-V138 HydrophobicContact CG-CG2 3.76Å
74	L	96.9	Very high	94	Very high	59 Å²	59	38.8 Å²	38.8	31%	0.309	21%	0.211	S	C	.	.	H	α-helix	trans	-62.7	-42.7	179.8	-176.3	63.4	0	0	0	111	F70 L71 V72 L76 V77 L78 F98	F70-L74 HydrophobicContact CE1-CD2 3.86Å; F70-L74 HydrophobicContact CZ-CD2 4.03Å; F70-L74 WeakPolarHBondContact O-CB 3.34Å; F70-L74 PolarHBondContact O-N 3.21Å; L71-L74 PolarHBondContact O-N 3.29Å; V72-L74 VanDerWaalsContact C-N 3.33Å; V72-L74 PolarHBondContact O-N 3.23Å; L74-L76 VanDerWaalsContact C-N 3.32Å; L74-L76 PolarHBondContact O-N 2.76Å; L74-V77 PolarHBondContact O-N 3.26Å; L74-L78 HydrophobicContact CD1-CD1 3.8Å; L74-L78 HydrophobicContact CD1-CG 4.12Å; L74-L78 HydrophobicContact CG-CD1 3.83Å; L74-L78 HydrophobicContact CG-CG 4.44Å; L74-L78 WeakPolarHBondContact O-CB 3.47Å; L74-L78 VanDerWaalsContact O-CG 3.27Å; L74-L78 WeakPolarHBondContact O-CG 3.47Å; L74-L78 PolarHBondContact O-N 3.28Å; L74-F98 HydrophobicContact CB-CE1 4.14Å; L74-F98 HydrophobicContact CB-CZ 4.45Å
75	C	95.9	Very high	93.7	Very high	26 Å²	26	38.9 Å²	38.9	18%	0.176	21%	0.212	C	C	.	.	H	α-helix	trans	-63.6	-37.2	175.8	-64.5	0	0	0	0	112.3	M1 L71 V72 P73 W79	M1-C75 HydrophobicContact CE-CB 3.74Å; L71-C75 WeakPolarHBondContact O-CB 3.44Å; L71-C75 PolarHBondContact O-N 2.93Å; L71-C75 PolarHBondContact O-SG 2.87Å; V72-C75 WeakPolarHBondContact O-CB 3.41Å; V72-C75 PolarHBondContact O-N 2.88Å; V72-C75 VanDerWaalsContact O-N 3.17Å; P73-C75 VanDerWaalsContact C-N 3.32Å; P73-C75 PolarHBondContact O-N 3.03Å; C75-W79 HydrophobicContact CB-CE3 3.68Å; C75-W79 HydrophobicContact CB-CZ3 3.86Å; C75-W79 WeakPolarHBondContact O-CA 3.32Å; C75-W79 WeakPolarHBondContact O-CB 3.09Å; C75-W79 PolarHBondContact O-N 3.32Å; C75-W79 WeakPolarHBondContact SG-CZ3 3.48Å
76	L	95.1	Very high	93.4	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-63.9	-49.2	175.6	-70.5	174.2	0	0	0	110.8	M1 L5 V72 P73 L74 L78 T80 Y135 V138 R139	M1-L76 HydrophobicContact CG-CD2 4Å; L5-L76 HydrophobicContact CD1-CD2 4.21Å; V72-L76 HydrophobicContact CG1-CD1 4.37Å; V72-L76 WeakPolarHBondContact O-CG 3.16Å; V72-L76 PolarHBondContact O-N 3.3Å; P73-L76 WeakPolarHBondContact O-CB 3.46Å; P73-L76 PolarHBondContact O-N 3.43Å; L74-L76 VanDerWaalsContact C-N 3.32Å; L74-L76 PolarHBondContact O-N 2.76Å; L76-L78 PolarHBondContact O-N 3.26Å; L76-T80 HydrophobicContact CD2-CG2 3.91Å; L76-T80 WeakPolarHBondContact O-CB 3.49Å; L76-T80 PolarHBondContact O-N 3.01Å; L76-T80 VanDerWaalsContact O-N 3.11Å; L76-T80 PolarHBondContact O-OG1 2.72Å; L76-Y135 HydrophobicContact CD1-CD2 4.01Å; L76-Y135 HydrophobicContact CD2-CD2 4.3Å; L76-Y135 HydrophobicContact CD2-CE2 4.37Å; L76-V138 HydrophobicContact CB-CG1 4.39Å; L76-V138 HydrophobicContact CD1-CB 4.46Å; L76-V138 HydrophobicContact CD1-CG1 4.47Å; L76-R139 HydrophobicContact CD1-CB 3.94Å
77	V	94.8	Very high	93.3	Very high	43 Å²	43	46.4 Å²	46.4	26%	0.261	25%	0.254	S	S	.	.	H	α-helix	trans	-66.5	-36.7	-179.1	174.3	0	0	0	0	112.3	P73 L74 F98 V138	P73-V77 PolarHBondContact O-N 2.89Å; L74-V77 PolarHBondContact O-N 3.26Å; V77-F98 HydrophobicContact CG2-CE2 4.16Å; V77-F98 HydrophobicContact CG2-CZ 4.33Å; V77-V138 HydrophobicContact CG2-CG1 3.81Å
78	L	93.3	Very high	93.3	Very high	103 Å²	103	49 Å²	49	54%	0.539	27%	0.267	S	S	.	.	H	α-helix	trans	-85.7	-30.7	-175.7	-65.6	179	0	0	0	114.5	L74 L76	L74-L78 HydrophobicContact CD1-CD1 3.8Å; L74-L78 HydrophobicContact CD1-CG 4.12Å; L74-L78 HydrophobicContact CG-CD1 3.83Å; L74-L78 HydrophobicContact CG-CG 4.44Å; L74-L78 WeakPolarHBondContact O-CB 3.47Å; L74-L78 VanDerWaalsContact O-CG 3.27Å; L74-L78 WeakPolarHBondContact O-CG 3.47Å; L74-L78 PolarHBondContact O-N 3.28Å; L76-L78 PolarHBondContact O-N 3.26Å
79	W	91	Very high	93.2	Very high	155 Å²	155	48.7 Å²	48.7	59%	0.587	27%	0.266	S	S	*	.	H	α-helix	trans	-131.6	21.5	-168.5	-54.5	-44.2	0	0	0	113.8	M1 D2 C75	M1-W79 HydrophobicContact CB-CB 4.11Å; M1-W79 PolarHBondContact N-O 2.99Å; D2-W79 PolarHBondContact N-O 3.28Å; C75-W79 HydrophobicContact CB-CE3 3.68Å; C75-W79 HydrophobicContact CB-CZ3 3.86Å; C75-W79 WeakPolarHBondContact O-CA 3.32Å; C75-W79 WeakPolarHBondContact O-CB 3.09Å; C75-W79 PolarHBondContact O-N 3.32Å; C75-W79 WeakPolarHBondContact SG-CZ3 3.48Å
80	T	87.6	Confident	93.3	Very high	13 Å²	13	48.7 Å²	48.7	8%	0.08	27%	0.266	C	S	.	.	S	Bend	trans	-128.7	161.1	165.4	73.5	0	0	0	0	112.8	M1 D2 L5 L76 A82 R139	M1-T80 HydrophobicContact CB-CG2 3.57Å; M1-T80 HydrophobicContact CG-CG2 3.49Å; M1-T80 VanDerWaalsContact CG-CG2 3.49Å; D2-T80 VanDerWaalsContact CG-CA 3.47Å; D2-T80 WeakPolarHBondContact OD1-CA 3.49Å; D2-T80 WeakPolarHBondContact OD1-CB 3.1Å; D2-T80 WeakPolarHBondContact OD1-CG2 3.44Å; D2-T80 WeakPolarHBondContact OD2-CA 3.35Å; L5-T80 HydrophobicContact CD1-CG2 3.66Å; L76-T80 HydrophobicContact CD2-CG2 3.91Å; L76-T80 WeakPolarHBondContact O-CB 3.49Å; L76-T80 PolarHBondContact O-N 3.01Å; L76-T80 VanDerWaalsContact O-N 3.11Å; L76-T80 PolarHBondContact O-OG1 2.72Å; T80-A82 PolarHBondContact O-N 3.5Å; T80-R139 PolarHBondContact OG1-NH1 2.9Å; T80-R139 VanDerWaalsContact OG1-NH1 3.12Å
81	S	80	Confident	93.2	Very high	60 Å²	60	51.3 Å²	51.3	42%	0.42	28%	0.278	S	S	.	.			trans	-54	117.6	163.6	177	0	0	0	0	108.6	D2 R139 H143	D2-S81 PolarHBondContact OD1-N 2.96Å; S81-R139 PolarHBondContact O-NH1 3.47Å; S81-R139 VanDerWaalsContact O-NH1 3.1Å; S81-H143 PolarHBondContact O-ND1 2.98Å; S81-H143 PolarHBondContact OG-CE1 3.26Å
82	A	82.8	Confident	93.2	Very high	14 Å²	14	50.9 Å²	50.9	12%	0.116	28%	0.276	C	S	.	.			trans	-128.4	46.8	-174.7	0	0	0	0	0	109.5	T80 K84 T85 S142	T80-A82 PolarHBondContact O-N 3.5Å; A82-K84 PolarHBondContact O-N 3.05Å; A82-T85 HydrophobicContact CB-CG2 3.67Å; A82-T85 WeakPolarHBondContact O-CB 3.3Å; A82-T85 WeakPolarHBondContact O-CG2 3.13Å; A82-T85 PolarHBondContact O-N 2.83Å; A82-T85 PolarHBondContact O-OG1 2.91Å; A82-S142 CarbonylContact C-O 3.3Å; A82-S142 VanDerWaalsContact CA-O 3.28Å; A82-S142 WeakPolarHBondContact CA-O 3.45Å
83	A	85.6	Confident	93.3	Very high	57 Å²	57	49.5 Å²	49.5	47%	0.471	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-52.6	-34.7	-169.9	0	0	0	0	0	113.1	T85 T86 S142	A83-T85 VanDerWaalsContact C-N 3.29Å; A83-T85 PolarHBondContact O-N 3.35Å; A83-T86 PolarHBondContact O-OG1 2.83Å; A83-S142 PolarHBondContact N-O 3.38Å
84	K	92.7	Very high	93.3	Very high	35 Å²	35	50 Å²	50	15%	0.152	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-76.8	-13.9	-177.6	-51	-61.4	-173.1	-177.5	0	113.6	A82 T86 H87 N90 S142 H143 E146	A82-K84 PolarHBondContact O-N 3.05Å; K84-T86 PolarHBondContact O-N 3.38Å; K84-T86 VanDerWaalsContact O-N 3.11Å; K84-H87 PolarHBondContact O-N 3.35Å; K84-N90 WeakPolarHBondContact CB-ND2 3.49Å; K84-N90 VanDerWaalsContact O-CB 3.26Å; K84-N90 WeakPolarHBondContact O-CB 3.19Å; K84-S142 WeakPolarHBondContact CB-O 3.45Å; K84-S142 PolarHBondContact N-O 3.25Å; K84-H143 VanDerWaalsContact CG-O 3.26Å; K84-H143 WeakPolarHBondContact CG-O 3.5Å; K84-E146 IonicContact NZ-OE1 3.8Å; K84-E146 PolarHBondContact NZ-OE1 3.08Å
85	T	90.9	Very high	93.4	Very high	35 Å²	35	51.2 Å²	51.2	22%	0.215	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-68	-7.3	175.9	65.2	0	0	0	0	113.8	A82 A83 H87 Q91 L94	A82-T85 HydrophobicContact CB-CG2 3.67Å; A82-T85 WeakPolarHBondContact O-CB 3.3Å; A82-T85 WeakPolarHBondContact O-CG2 3.13Å; A82-T85 PolarHBondContact O-N 2.83Å; A82-T85 PolarHBondContact O-OG1 2.91Å; A83-T85 VanDerWaalsContact C-N 3.29Å; A83-T85 PolarHBondContact O-N 3.35Å; T85-H87 VanDerWaalsContact C-N 3.33Å; T85-Q91 WeakPolarHBondContact O-CG 3.44Å; T85-Q91 PolarHBondContact O-NE2 3.34Å; T85-L94 HydrophobicContact CG2-CD1 3.71Å
86	T	92.6	Very high	93.5	Very high	103 Å²	103	50.5 Å²	50.5	63%	0.632	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-79.3	-16.9	170.8	60.7	0	0	0	0	112.8	A83 K84	A83-T86 PolarHBondContact O-OG1 2.83Å; K84-T86 PolarHBondContact O-N 3.38Å; K84-T86 VanDerWaalsContact O-N 3.11Å
87	H	95.7	Very high	93.7	Very high	91 Å²	91	50.5 Å²	50.5	42%	0.421	27%	0.274	S	S	.	.	S	Bend	trans	-92.9	135.1	-179.6	-56.8	-62.7	0	0	0	111.7	K84 T85 N90 Q91	K84-H87 PolarHBondContact O-N 3.35Å; T85-H87 VanDerWaalsContact C-N 3.33Å; H87-N90 PolarHBondContact O-N 3.07Å; H87-Q91 WeakPolarHBondContact O-CG 3.49Å; H87-Q91 PolarHBondContact O-N 3.44Å
88	L	96.6	Very high	93.9	Very high	89 Å²	89	50.1 Å²	50.1	47%	0.466	27%	0.269	S	S	.	.	H	α-helix	trans	-56.8	-44.4	-176	-179.2	64.1	0	0	0	114.3	N90 Q91 L92 V152	L88-N90 VanDerWaalsContact C-N 3.34Å; L88-N90 PolarHBondContact O-N 3.5Å; L88-Q91 PolarHBondContact O-N 2.84Å; L88-L92 HydrophobicContact CD1-CD1 4.12Å; L88-L92 HydrophobicContact CD1-CD2 4.41Å; L88-L92 HydrophobicContact CD1-CG 4Å; L88-L92 HydrophobicContact CG-CD1 4.08Å; L88-L92 HydrophobicContact CG-CG 4.37Å; L88-L92 WeakPolarHBondContact O-CG 3.37Å; L88-L92 PolarHBondContact O-N 3.44Å; L88-V152 HydrophobicContact CD2-CG1 4.22Å; L88-V152 HydrophobicContact CD2-CG2 4.32Å; L88-V152 HydrophobicContact CG-CG1 4.13Å
89	P	97.7	Very high	94.1	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.032	26%	0.259	C	S	.	.	H	α-helix	trans	-56.4	-46.5	177.4	-23	31.3	0	0	0	113	L92 L93 Y147 W151 V152	P89-L92 PolarHBondContact O-N 2.82Å; P89-L93 WeakPolarHBondContact O-CG 3.35Å; P89-L93 PolarHBondContact O-N 3.5Å; P89-Y147 HydrophobicContact CB-CD2 3.87Å; P89-Y147 HydrophobicContact CB-CG 3.86Å; P89-Y147 HydrophobicContact CG-CG 4.45Å; P89-W151 HydrophobicContact CB-CB 4.47Å; P89-W151 HydrophobicContact CG-CB 4.09Å; P89-V152 HydrophobicContact CB-CG1 4.25Å; P89-V152 HydrophobicContact CG-CG1 3.91Å
90	N	98.1	Very high	94.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.4	-42.9	179.4	-56.6	69.7	0	0	0	111.1	K84 H87 L88 L92 L93 L94 L141 A145 Y147	K84-N90 WeakPolarHBondContact CB-ND2 3.49Å; K84-N90 VanDerWaalsContact O-CB 3.26Å; K84-N90 WeakPolarHBondContact O-CB 3.19Å; H87-N90 PolarHBondContact O-N 3.07Å; L88-N90 VanDerWaalsContact C-N 3.34Å; L88-N90 PolarHBondContact O-N 3.5Å; N90-L92 PolarHBondContact O-N 2.93Å; N90-L93 PolarHBondContact O-N 2.97Å; N90-L94 WeakPolarHBondContact O-CB 3.24Å; N90-L94 WeakPolarHBondContact O-CG 3.2Å; N90-L94 PolarHBondContact O-N 3.49Å; N90-L141 PolarHBondContact ND2-O 3.24Å; N90-A145 PolarHBondContact ND2-O 2.9Å; N90-Y147 VanDerWaalsContact OD1-CD2 3.3Å; N90-Y147 WeakPolarHBondContact OD1-CD2 3.27Å
91	Q	97.3	Very high	95	Very high	85 Å²	85	40 Å²	40	40%	0.397	23%	0.229	S	C	.	.	H	α-helix	trans	-57.9	-47.9	176.7	-71.4	176.4	-18.7	0	0	111.7	T85 H87 L88 L94 V95	T85-Q91 WeakPolarHBondContact O-CG 3.44Å; T85-Q91 PolarHBondContact O-NE2 3.34Å; H87-Q91 WeakPolarHBondContact O-CG 3.49Å; H87-Q91 PolarHBondContact O-N 3.44Å; L88-Q91 PolarHBondContact O-N 2.84Å; Q91-L94 PolarHBondContact O-N 2.91Å; Q91-V95 WeakPolarHBondContact O-CB 3.36Å; Q91-V95 VanDerWaalsContact O-CG2 3.28Å; Q91-V95 WeakPolarHBondContact O-CG2 3.47Å; Q91-V95 PolarHBondContact O-N 3Å
92	L	98.3	Very high	95.9	Very high	65 Å²	65	39.6 Å²	39.6	34%	0.34	23%	0.225	S	C	.	.	H	α-helix	trans	-64.2	-43.3	-179.7	-68.5	176.9	0	0	0	111.8	L88 P89 N90 V95 M96 V152 F157	L88-L92 HydrophobicContact CD1-CD1 4.12Å; L88-L92 HydrophobicContact CD1-CD2 4.41Å; L88-L92 HydrophobicContact CD1-CG 4Å; L88-L92 HydrophobicContact CG-CD1 4.08Å; L88-L92 HydrophobicContact CG-CG 4.37Å; L88-L92 WeakPolarHBondContact O-CG 3.37Å; L88-L92 PolarHBondContact O-N 3.44Å; P89-L92 PolarHBondContact O-N 2.82Å; N90-L92 PolarHBondContact O-N 2.93Å; L92-V95 PolarHBondContact O-N 2.76Å; L92-M96 VanDerWaalsContact O-CG 3.23Å; L92-M96 WeakPolarHBondContact O-CG 3.48Å; L92-M96 PolarHBondContact O-N 3.24Å; L92-V152 HydrophobicContact CD1-CG1 3.88Å; L92-F157 HydrophobicContact CB-CZ 3.8Å; L92-F157 HydrophobicContact CD1-CE1 3.86Å; L92-F157 HydrophobicContact CD1-CZ 3.78Å; L92-F157 HydrophobicContact CG-CZ 4.47Å
93	L	98.7	Very high	96.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.1	-41	175.9	-68.7	168.1	0	0	0	112	P89 N90 M96 Y97 L141 Y147 F157 F215 A218 A219	P89-L93 WeakPolarHBondContact O-CG 3.35Å; P89-L93 PolarHBondContact O-N 3.5Å; N90-L93 PolarHBondContact O-N 2.97Å; L93-M96 HydrophobicContact CD2-SD 4.13Å; L93-M96 PolarHBondContact O-N 3.21Å; L93-Y97 PolarHBondContact O-N 2.95Å; L93-L141 HydrophobicContact CB-CD1 4.18Å; L93-L141 HydrophobicContact CB-CD2 4.28Å; L93-L141 HydrophobicContact CD1-CD2 3.88Å; L93-Y147 HydrophobicContact CD1-CE1 4.4Å; L93-Y147 HydrophobicContact CD1-CE2 3.91Å; L93-Y147 WeakPolarHBondContact CD1-OH 3.35Å; L93-F157 HydrophobicContact CD1-CE2 4.36Å; L93-F157 HydrophobicContact CD2-CE2 4.12Å; L93-F157 HydrophobicContact CG-CE2 3.99Å; L93-F215 HydrophobicContact CB-CE2 4.42Å; L93-F215 HydrophobicContact CD2-CE2 4.3Å; L93-F215 WeakPolarHBondContact O-CE2 3.4Å; L93-A218 HydrophobicContact CD2-CB 3.84Å; L93-A219 HydrophobicContact CD1-CB 3.96Å; L93-A219 HydrophobicContact CD2-CB 3.99Å
94	L	98.5	Very high	97.2	Very high	11 Å²	11	37.1 Å²	37.1	6%	0.058	20%	0.2	C	C	.	.	H	α-helix	trans	-63.4	-42.3	174.3	-71.5	168.9	0	0	0	111.3	T85 N90 Q91 M96 Y97 F98 V138 L141	T85-L94 HydrophobicContact CG2-CD1 3.71Å; N90-L94 WeakPolarHBondContact O-CB 3.24Å; N90-L94 WeakPolarHBondContact O-CG 3.2Å; N90-L94 PolarHBondContact O-N 3.49Å; Q91-L94 PolarHBondContact O-N 2.91Å; L94-M96 PolarHBondContact O-N 3.02Å; L94-Y97 PolarHBondContact O-N 3.31Å; L94-F98 HydrophobicContact CB-CD2 4.45Å; L94-F98 WeakPolarHBondContact O-CB 3.42Å; L94-F98 WeakPolarHBondContact O-CD2 3.37Å; L94-F98 PolarHBondContact O-N 3.03Å; L94-V138 HydrophobicContact CD2-CB 4.28Å; L94-V138 HydrophobicContact CD2-CG1 3.71Å; L94-V138 HydrophobicContact CD2-CG2 4.03Å; L94-L141 HydrophobicContact CD2-CB 3.99Å; L94-L141 HydrophobicContact CD2-CD1 4.44Å; L94-L141 HydrophobicContact CG-CB 4.38Å
95	V	98.6	Very high	97.3	Very high	84 Å²	84	35.4 Å²	35.4	51%	0.509	19%	0.193	S	C	.	.	H	α-helix	trans	-59.4	-46.6	174.7	167.1	0	0	0	0	110.7	Q91 L92 Y97 F98 C99	Q91-V95 WeakPolarHBondContact O-CB 3.36Å; Q91-V95 VanDerWaalsContact O-CG2 3.28Å; Q91-V95 WeakPolarHBondContact O-CG2 3.47Å; Q91-V95 PolarHBondContact O-N 3Å; L92-V95 PolarHBondContact O-N 2.76Å; V95-Y97 PolarHBondContact O-N 2.86Å; V95-F98 PolarHBondContact O-N 3.39Å; V95-C99 VanDerWaalsContact O-CB 3.29Å; V95-C99 WeakPolarHBondContact O-CB 3.43Å; V95-C99 PolarHBondContact O-N 3.27Å; V95-C99 PolarHBondContact O-SG 3.14Å
96	M	98.8	Very high	97.6	Very high	12 Å²	12	36.8 Å²	36.8	6%	0.059	20%	0.199	C	C	.	.	H	α-helix	trans	-56.3	-50	175.9	-67.9	163.8	74.4	0	0	111.2	L92 L93 L94 F98 C99 H100 W164 F215	L92-M96 VanDerWaalsContact O-CG 3.23Å; L92-M96 WeakPolarHBondContact O-CG 3.48Å; L92-M96 PolarHBondContact O-N 3.24Å; L93-M96 HydrophobicContact CD2-SD 4.13Å; L93-M96 PolarHBondContact O-N 3.21Å; L94-M96 PolarHBondContact O-N 3.02Å; M96-F98 PolarHBondContact O-N 3.39Å; M96-C99 PolarHBondContact O-N 2.9Å; M96-H100 PolarHBondContact O-N 2.74Å; M96-W164 HydrophobicContact CB-CD2 3.88Å; M96-W164 HydrophobicContact CB-CE3 4.24Å; M96-W164 HydrophobicContact CB-CG 4.45Å; M96-W164 HydrophobicContact CB-CH2 4.19Å; M96-W164 HydrophobicContact CB-CZ2 3.83Å; M96-W164 HydrophobicContact CB-CZ3 4.37Å; M96-W164 HydrophobicContact CE-CB 3.25Å; M96-W164 HydrophobicContact CE-CD2 3.45Å; M96-W164 VanDerWaalsContact CE-CD2 3.45Å; M96-W164 HydrophobicContact CE-CE3 3.77Å; M96-W164 HydrophobicContact CE-CG 3.17Å; M96-W164 HydrophobicContact CG-CD2 3.84Å; M96-W164 HydrophobicContact CG-CE3 3.75Å; M96-W164 HydrophobicContact CG-CG 4.5Å; M96-W164 HydrophobicContact CG-CH2 4.21Å; M96-W164 HydrophobicContact CG-CZ2 4.3Å; M96-W164 HydrophobicContact CG-CZ3 3.94Å; M96-W164 WeakPolarHBondContact O-CZ2 3.4Å; M96-F215 HydrophobicContact CB-CD2 4.15Å; M96-F215 HydrophobicContact CB-CE2 4.16Å; M96-F215 HydrophobicContact CE-CD2 4.36Å
97	Y	98.8	Very high	97.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59	-48.7	177.6	-179.2	-80.1	0	0	0	112.1	A69 P73 L93 L94 V95 H100 Y101 G134 Q137 V138 W212 F215	A69-Y97 VanDerWaalsContact O-CE1 3.25Å; A69-Y97 WeakPolarHBondContact O-CE1 3.08Å; A69-Y97 PolarHBondContact O-OH 3.49Å; P73-Y97 HydrophobicContact CB-CE1 4Å; P73-Y97 HydrophobicContact CG-CE1 3.67Å; L93-Y97 PolarHBondContact O-N 2.95Å; L94-Y97 PolarHBondContact O-N 3.31Å; V95-Y97 PolarHBondContact O-N 2.86Å; Y97-H100 WeakPolarHBondContact O-CB 3.39Å; Y97-H100 PolarHBondContact O-N 3.19Å; Y97-Y101 AromaticContact CD1-CD2 3.94Å; Y97-Y101 HydrophobicContact CD1-CD2 3.94Å; Y97-Y101 HydrophobicContact CD2-CD2 4.28Å; Y97-Y101 HydrophobicContact CD2-CE2 4.12Å; Y97-Y101 AromaticContact CE1-CD2 3.41Å; Y97-Y101 HydrophobicContact CE1-CD2 3.41Å; Y97-Y101 VanDerWaalsContact CE1-CD2 3.41Å; Y97-Y101 AromaticContact CE1-CE2 3.86Å; Y97-Y101 HydrophobicContact CE1-CE2 3.86Å; Y97-Y101 HydrophobicContact CE1-CG 4.32Å; Y97-Y101 AromaticContact CE2-CD2 3.84Å; Y97-Y101 HydrophobicContact CE2-CD2 3.84Å; Y97-Y101 AromaticContact CE2-CE2 3.43Å; Y97-Y101 HydrophobicContact CE2-CE2 3.43Å; Y97-Y101 VanDerWaalsContact CE2-CE2 3.43Å; Y97-Y101 HydrophobicContact CG-CD2 4.31Å; Y97-Y101 AromaticContact CZ-CD2 3.34Å; Y97-Y101 AromaticContact CZ-CE2 3.24Å; Y97-Y101 WeakPolarHBondContact O-CD2 3.23Å; Y97-Y101 PolarHBondContact O-N 3.31Å; Y97-Y101 VanDerWaalsContact O-N 3.15Å; Y97-Y101 WeakPolarHBondContact OH-CE2 3.1Å; Y97-G134 VanDerWaalsContact OH-CA 3.24Å; Y97-G134 WeakPolarHBondContact OH-CA 3.41Å; Y97-Q137 HydrophobicContact CD2-CB 4.25Å; Y97-Q137 HydrophobicContact CE2-CB 3.85Å; Y97-Q137 HydrophobicContact CE2-CG 4.2Å; Y97-V138 HydrophobicContact CD1-CG2 3.69Å; Y97-V138 HydrophobicContact CD2-CG2 4.34Å; Y97-V138 HydrophobicContact CE1-CG2 3.72Å; Y97-V138 HydrophobicContact CE2-CG2 4.32Å; Y97-V138 HydrophobicContact CG-CG2 4.05Å; Y97-W212 HydrophobicContact CD2-CH2 4.09Å; Y97-W212 HydrophobicContact CD2-CZ3 4.25Å; Y97-W212 HydrophobicContact CE2-CH2 4.44Å; Y97-F215 HydrophobicContact CD2-CZ 4.43Å
98	F	98.6	Very high	97.8	Very high	35 Å²	35	32.9 Å²	32.9	15%	0.154	17%	0.174	C	C	.	.	H	α-helix	trans	-69	-36.7	-179.2	-81.2	-67.3	0	0	0	112.5	F70 P73 L74 V77 L94 V95 M96 H100 Y101 V102	F70-F98 AromaticContact CD2-CD1 3.83Å; F70-F98 HydrophobicContact CD2-CD1 3.83Å; F70-F98 HydrophobicContact CD2-CE1 4.25Å; F70-F98 AromaticContact CE2-CD1 3.81Å; F70-F98 HydrophobicContact CE2-CD1 3.81Å; F70-F98 HydrophobicContact CE2-CE1 4.28Å; P73-F98 HydrophobicContact CB-CE1 3.7Å; P73-F98 HydrophobicContact CB-CZ 3.58Å; L74-F98 HydrophobicContact CB-CE1 4.14Å; L74-F98 HydrophobicContact CB-CZ 4.45Å; V77-F98 HydrophobicContact CG2-CE2 4.16Å; V77-F98 HydrophobicContact CG2-CZ 4.33Å; L94-F98 HydrophobicContact CB-CD2 4.45Å; L94-F98 WeakPolarHBondContact O-CB 3.42Å; L94-F98 WeakPolarHBondContact O-CD2 3.37Å; L94-F98 PolarHBondContact O-N 3.03Å; V95-F98 PolarHBondContact O-N 3.39Å; M96-F98 PolarHBondContact O-N 3.39Å; F98-H100 VanDerWaalsContact C-N 3.29Å; F98-H100 PolarHBondContact O-N 3.47Å; F98-Y101 PolarHBondContact O-N 3.49Å; F98-V102 WeakPolarHBondContact O-CB 3.28Å; F98-V102 VanDerWaalsContact O-CG2 3.23Å; F98-V102 WeakPolarHBondContact O-CG2 3.47Å; F98-V102 PolarHBondContact O-N 3.19Å
99	C	98.6	Very high	97.6	Very high	50 Å²	50	28.7 Å²	28.7	34%	0.338	15%	0.152	S	C	.	.	H	α-helix	trans	-58.2	-43.3	174.5	-79.4	0	0	0	0	111.4	V95 M96 Q103 W164 W168	V95-C99 VanDerWaalsContact O-CB 3.29Å; V95-C99 WeakPolarHBondContact O-CB 3.43Å; V95-C99 PolarHBondContact O-N 3.27Å; V95-C99 PolarHBondContact O-SG 3.14Å; M96-C99 PolarHBondContact O-N 2.9Å; C99-Q103 PolarHBondContact O-N 3.08Å; C99-W164 HydrophobicContact CB-CH2 3.93Å; C99-W164 HydrophobicContact CB-CZ2 4.14Å; C99-W168 HydrophobicContact CB-CZ2 4.39Å
100	H	98.7	Very high	97.4	Very high	3 Å²	3	34.6 Å²	34.6	1%	0.014	18%	0.178	C	C	.	.	H	α-helix	trans	-57.8	-56.6	172.8	-179.6	96.6	0	0	0	111.3	M96 Y97 F98 V102 Q103 R104 E208 E211 W212	M96-H100 PolarHBondContact O-N 2.74Å; Y97-H100 WeakPolarHBondContact O-CB 3.39Å; Y97-H100 PolarHBondContact O-N 3.19Å; F98-H100 VanDerWaalsContact C-N 3.29Å; F98-H100 PolarHBondContact O-N 3.47Å; H100-V102 PolarHBondContact O-N 2.96Å; H100-Q103 CarbonylContact O-C 3.23Å; H100-Q103 WeakPolarHBondContact O-CA 3.36Å; H100-Q103 WeakPolarHBondContact O-CB 3.45Å; H100-Q103 PolarHBondContact O-N 3.48Å; H100-Q103 VanDerWaalsContact O-N 3.08Å; H100-R104 WeakPolarHBondContact O-CB 3.43Å; H100-R104 PolarHBondContact O-N 2.88Å; H100-E208 IonicContact CE1-OE1 3.58Å; H100-E208 IonicContact NE2-OE1 3.41Å; H100-E211 WeakPolarHBondContact CB-OE1 3.44Å; H100-E211 IonicContact CE1-OE1 2.67Å; H100-E211 IonicContact CE1-OE2 3.82Å; H100-E211 IonicContact CG-OE1 2.81Å; H100-E211 IonicContact ND1-OE1 3.97Å; H100-E211 PolarHBondContact ND1-OE1 3.22Å; H100-E211 IonicContact ND1-OE2 3.87Å; H100-E211 PolarHBondContact ND1-OE2 3.16Å; H100-E211 VanDerWaalsContact ND1-OE2 3.14Å; H100-W212 HydrophobicContact CB-CH2 4.26Å; H100-W212 HydrophobicContact CB-CZ2 4.19Å; H100-W212 AromaticContact CD2-CZ2 3.54Å; H100-W212 AromaticContact CE1-CZ2 3.77Å; H100-W212 AromaticContact CE1-NE1 3.74Å; H100-W212 AromaticContact CG-CZ2 3.54Å; H100-W212 AromaticContact ND1-CZ2 3.69Å; H100-W212 AromaticContact NE2-CZ2 3.71Å
101	Y	98.4	Very high	97.2	Very high	5 Å²	5	38.7 Å²	38.7	2%	0.02	20%	0.199	C	C	.	.	H	α-helix	trans	-75.4	-22.7	-172.3	-79.1	-71.1	0	0	0	114.4	A69 Y97 F98 Q103 R104 S105 W212	A69-Y101 HydrophobicContact CB-CD1 3.49Å; A69-Y101 VanDerWaalsContact CB-CD1 3.49Å; A69-Y101 HydrophobicContact CB-CD2 4.39Å; A69-Y101 HydrophobicContact CB-CE1 3.18Å; A69-Y101 HydrophobicContact CB-CE2 4.13Å; A69-Y101 HydrophobicContact CB-CG 4.08Å; Y97-Y101 AromaticContact CD1-CD2 3.94Å; Y97-Y101 HydrophobicContact CD1-CD2 3.94Å; Y97-Y101 HydrophobicContact CD2-CD2 4.28Å; Y97-Y101 HydrophobicContact CD2-CE2 4.12Å; Y97-Y101 AromaticContact CE1-CD2 3.41Å; Y97-Y101 HydrophobicContact CE1-CD2 3.41Å; Y97-Y101 VanDerWaalsContact CE1-CD2 3.41Å; Y97-Y101 AromaticContact CE1-CE2 3.86Å; Y97-Y101 HydrophobicContact CE1-CE2 3.86Å; Y97-Y101 HydrophobicContact CE1-CG 4.32Å; Y97-Y101 AromaticContact CE2-CD2 3.84Å; Y97-Y101 HydrophobicContact CE2-CD2 3.84Å; Y97-Y101 AromaticContact CE2-CE2 3.43Å; Y97-Y101 HydrophobicContact CE2-CE2 3.43Å; Y97-Y101 VanDerWaalsContact CE2-CE2 3.43Å; Y97-Y101 HydrophobicContact CG-CD2 4.31Å; Y97-Y101 AromaticContact CZ-CD2 3.34Å; Y97-Y101 AromaticContact CZ-CE2 3.24Å; Y97-Y101 WeakPolarHBondContact O-CD2 3.23Å; Y97-Y101 PolarHBondContact O-N 3.31Å; Y97-Y101 VanDerWaalsContact O-N 3.15Å; Y97-Y101 WeakPolarHBondContact OH-CE2 3.1Å; F98-Y101 PolarHBondContact O-N 3.49Å; Y101-Q103 VanDerWaalsContact C-N 3.34Å; Y101-R104 HydrophobicContact CD1-CB 4.45Å; Y101-S105 WeakPolarHBondContact O-CA 3.44Å; Y101-S105 WeakPolarHBondContact O-CB 3.33Å; Y101-S105 PolarHBondContact O-N 3.14Å; Y101-S105 PolarHBondContact O-OG 3.41Å; Y101-S105 VanDerWaalsContact O-OG 3.1Å; Y101-W212 AromaticContact CE2-CH2 3.91Å; Y101-W212 HydrophobicContact CE2-CH2 3.91Å; Y101-W212 HydrophobicContact CE2-CZ2 4.03Å
102	V	98.4	Very high	96.9	Very high	53 Å²	53	35.3 Å²	35.3	32%	0.321	18%	0.184	S	C	.	.	I	π-helix	trans	-61.6	-47.7	165	167.1	0	0	0	0	109.3	F70 F98 H100 L106 I107	F70-V102 HydrophobicContact CD2-CG2 4.06Å; F70-V102 HydrophobicContact CE2-CG2 3.53Å; F70-V102 HydrophobicContact CZ-CG2 4.35Å; F98-V102 WeakPolarHBondContact O-CB 3.28Å; F98-V102 VanDerWaalsContact O-CG2 3.23Å; F98-V102 WeakPolarHBondContact O-CG2 3.47Å; F98-V102 PolarHBondContact O-N 3.19Å; H100-V102 PolarHBondContact O-N 2.96Å; V102-L106 WeakPolarHBondContact O-CA 3.49Å; V102-L106 WeakPolarHBondContact O-CB 3.29Å; V102-L106 PolarHBondContact O-N 2.81Å; V102-I107 HydrophobicContact CG1-CD1 4.27Å; V102-I107 PolarHBondContact O-N 3.49Å
103	Q	98.1	Very high	96.4	Very high	10 Å²	10	37.1 Å²	37.1	5%	0.047	19%	0.186	C	C	.	.	I	π-helix	trans	-63.9	-49.4	176.9	-166.4	-80.4	-4.1	0	0	111.2	C99 H100 Y101 I107 Y108 W168 I172	C99-Q103 PolarHBondContact O-N 3.08Å; H100-Q103 CarbonylContact O-C 3.23Å; H100-Q103 WeakPolarHBondContact O-CA 3.36Å; H100-Q103 WeakPolarHBondContact O-CB 3.45Å; H100-Q103 PolarHBondContact O-N 3.48Å; H100-Q103 VanDerWaalsContact O-N 3.08Å; Y101-Q103 VanDerWaalsContact C-N 3.34Å; Q103-I107 WeakPolarHBondContact O-CB 3.4Å; Q103-I107 PolarHBondContact O-N 3.33Å; Q103-Y108 VanDerWaalsContact O-CB 3.32Å; Q103-Y108 WeakPolarHBondContact O-CB 3.48Å; Q103-Y108 PolarHBondContact O-N 3.37Å; Q103-W168 HydrophobicContact CB-CZ2 4.16Å; Q103-I172 HydrophobicContact CG-CD1 3.84Å; Q103-I172 HydrophobicContact CG-CG1 3.99Å
104	R	97.2	Very high	95.5	Very high	8 Å²	8	38 Å²	38	3%	0.03	20%	0.196	C	C	.	.	I	π-helix	trans	-72.6	-37.3	-172	-179.7	61.6	75.6	-148.1	-1.2	113.2	E66 H100 Y101 P109 N171 D175 E208	E66-R104 HydrophobicContact CB-CG 4.41Å; E66-R104 HydrophobicContact CG-CG 4.08Å; H100-R104 WeakPolarHBondContact O-CB 3.43Å; H100-R104 PolarHBondContact O-N 2.88Å; Y101-R104 HydrophobicContact CD1-CB 4.45Å; R104-P109 WeakPolarHBondContact O-CD 3.48Å; R104-P109 WeakPolarHBondContact O-CG 3.43Å; R104-N171 PolarHBondContact NH2-ND2 3.36Å; R104-N171 PolarHBondContact NH2-OD1 3.17Å; R104-D175 IonicContact CZ-OD2 3.85Å; R104-D175 IonicContact NH1-OD2 2.88Å; R104-D175 PolarHBondContact NH1-OD2 3.17Å; R104-D175 IonicContact NH2-OD2 3.51Å; R104-E208 IonicContact CZ-OE1 3.08Å; R104-E208 IonicContact NE-OE1 3.87Å; R104-E208 VanDerWaalsContact NH2-CD 3.31Å; R104-E208 IonicContact NH2-OE1 3.52Å; R104-E208 PolarHBondContact NH2-OE1 3.46Å; R104-E208 IonicContact NH2-OE2 3.43Å; R104-E208 PolarHBondContact NH2-OE2 2.96Å
105	S	95.7	Very high	94.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.204	C	C	.	.	I	π-helix	trans	-97.9	-35.9	-174.4	-46.2	0	0	0	0	112.8	F63 E66 Y101 P109	F63-S105 WeakPolarHBondContact CD2-O 3.47Å; E66-S105 VanDerWaalsContact C-OG 3.3Å; E66-S105 WeakPolarHBondContact CB-OG 3.25Å; E66-S105 PolarHBondContact O-OG 3.41Å; Y101-S105 WeakPolarHBondContact O-CA 3.44Å; Y101-S105 WeakPolarHBondContact O-CB 3.33Å; Y101-S105 PolarHBondContact O-N 3.14Å; Y101-S105 PolarHBondContact O-OG 3.41Å; Y101-S105 VanDerWaalsContact O-OG 3.1Å; S105-P109 WeakPolarHBondContact O-CG 3.13Å
106	L	96.5	Very high	94	Very high	64 Å²	64	38.9 Å²	38.9	34%	0.335	20%	0.198	S	C	.	.	I	π-helix	trans	-107	-16.8	-171.7	-53	-177.3	0	0	0	114.4	F63 L67 F70 V102 F110	F63-L106 HydrophobicContact CE2-CD2 4.28Å; L67-L106 HydrophobicContact CD1-CD2 3.85Å; F70-L106 HydrophobicContact CD1-CD1 4.22Å; F70-L106 HydrophobicContact CE1-CD1 3.89Å; F70-L106 HydrophobicContact CE2-CD1 4.4Å; F70-L106 HydrophobicContact CZ-CD1 3.99Å; V102-L106 WeakPolarHBondContact O-CA 3.49Å; V102-L106 WeakPolarHBondContact O-CB 3.29Å; V102-L106 PolarHBondContact O-N 2.81Å; L106-F110 WeakPolarHBondContact O-CD2 3.23Å; L106-F110 VanDerWaalsContact O-CE2 3.32Å; L106-F110 WeakPolarHBondContact O-CE2 3.35Å
107	I	97.2	Very high	93.6	Very high	82 Å²	82	41 Å²	41	42%	0.421	21%	0.214	S	C	.	.	I	π-helix	trans	-113.7	-56.3	-178.8	-57.9	176.7	0	0	0	110.8	V102 Q103 F110 L111	V102-I107 HydrophobicContact CG1-CD1 4.27Å; V102-I107 PolarHBondContact O-N 3.49Å; Q103-I107 WeakPolarHBondContact O-CB 3.4Å; Q103-I107 PolarHBondContact O-N 3.33Å; I107-F110 PolarHBondContact O-N 2.8Å; I107-L111 HydrophobicContact CG2-CD1 3.7Å; I107-L111 HydrophobicContact CG2-CG 4.36Å; I107-L111 WeakPolarHBondContact O-CG 3.45Å; I107-L111 PolarHBondContact O-N 3.31Å
108	Y	95.2	Very high	93.4	Very high	29 Å²	29	41.1 Å²	41.1	11%	0.114	22%	0.215	C	C	.	.	H	α-helix	trans	-54.3	-46.8	-173.5	174.5	-94.8	0	0	0	113.8	W62 Q103 F110 L111 I112 D175 R179	W62-Y108 AromaticContact CD2-CE1 3.99Å; W62-Y108 HydrophobicContact CD2-CE1 3.99Å; W62-Y108 HydrophobicContact CE3-CD1 4.12Å; W62-Y108 AromaticContact CE3-CE1 3.72Å; W62-Y108 HydrophobicContact CE3-CE1 3.72Å; W62-Y108 HydrophobicContact CH2-CE1 4.47Å; W62-Y108 AromaticContact CZ3-CE1 3.99Å; W62-Y108 HydrophobicContact CZ3-CE1 3.99Å; Q103-Y108 VanDerWaalsContact O-CB 3.32Å; Q103-Y108 WeakPolarHBondContact O-CB 3.48Å; Q103-Y108 PolarHBondContact O-N 3.37Å; Y108-F110 VanDerWaalsContact C-N 3.27Å; Y108-F110 PolarHBondContact O-N 3.48Å; Y108-L111 PolarHBondContact O-N 2.85Å; Y108-I112 HydrophobicContact CD1-CD1 4.34Å; Y108-I112 HydrophobicContact CD1-CG1 4.4Å; Y108-I112 HydrophobicContact CE1-CD1 3.87Å; Y108-I112 HydrophobicContact CE1-CG1 4Å; Y108-I112 PolarHBondContact O-N 2.8Å; Y108-D175 HydrophobicContact CD2-CB 4.36Å; Y108-D175 HydrophobicContact CE2-CB 3.99Å; Y108-D175 VanDerWaalsContact CE2-OD2 3.31Å; Y108-D175 WeakPolarHBondContact CE2-OD2 3.43Å; Y108-R179 VanDerWaalsContact CD2-NH1 3.35Å
109	P	93.6	Very high	93.3	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.013	21%	0.209	C	C	.	.	H	α-helix	trans	-64.1	-33.5	-175.4	-24.1	37.8	0	0	0	112.7	W62 F63 R104 S105 L111 I112	W62-P109 HydrophobicContact CB-CB 4.17Å; W62-P109 HydrophobicContact CB-CG 4.33Å; F63-P109 HydrophobicContact CB-CB 3.91Å; F63-P109 HydrophobicContact CB-CG 4.39Å; R104-P109 WeakPolarHBondContact O-CD 3.48Å; R104-P109 WeakPolarHBondContact O-CG 3.43Å; S105-P109 WeakPolarHBondContact O-CG 3.13Å; P109-L111 VanDerWaalsContact C-N 3.29Å; P109-L111 PolarHBondContact O-N 3.15Å; P109-I112 PolarHBondContact O-N 3.45Å
110	F	93.4	Very high	93.2	Very high	128 Å²	128	41.3 Å²	41.3	56%	0.561	21%	0.211	S	C	*	.	H	α-helix	trans	-73.2	-23.7	177.6	-61	-83.8	0	0	0	112.5	F63 L106 I107 Y108	F63-F110 AromaticContact CD2-CE2 3.69Å; F63-F110 HydrophobicContact CD2-CE2 3.69Å; F63-F110 AromaticContact CD2-CZ 3.73Å; F63-F110 HydrophobicContact CD2-CZ 3.73Å; F63-F110 AromaticContact CE2-CE2 3.76Å; F63-F110 HydrophobicContact CE2-CE2 3.76Å; F63-F110 AromaticContact CE2-CZ 3.67Å; F63-F110 HydrophobicContact CE2-CZ 3.67Å; F63-F110 HydrophobicContact CG-CZ 4.37Å; F63-F110 HydrophobicContact CZ-CZ 4.24Å; L106-F110 WeakPolarHBondContact O-CD2 3.23Å; L106-F110 VanDerWaalsContact O-CE2 3.32Å; L106-F110 WeakPolarHBondContact O-CE2 3.35Å; I107-F110 PolarHBondContact O-N 2.8Å; Y108-F110 VanDerWaalsContact C-N 3.27Å; Y108-F110 PolarHBondContact O-N 3.48Å
111	L	92.9	Very high	93.1	Very high	87 Å²	87	43.4 Å²	43.4	46%	0.455	23%	0.229	S	C	.	.	H	α-helix	trans	-88.7	-6	177.4	-63.6	179.3	0	0	0	114	I107 Y108 P109 R113	I107-L111 HydrophobicContact CG2-CD1 3.7Å; I107-L111 HydrophobicContact CG2-CG 4.36Å; I107-L111 WeakPolarHBondContact O-CG 3.45Å; I107-L111 PolarHBondContact O-N 3.31Å; Y108-L111 PolarHBondContact O-N 2.85Å; P109-L111 VanDerWaalsContact C-N 3.29Å; P109-L111 PolarHBondContact O-N 3.15Å; L111-R113 PolarHBondContact O-N 3.44Å
112	I	90.1	Very high	92.9	Very high	14 Å²	14	44 Å²	44	7%	0.072	23%	0.233	C	C	.	.			trans	-60.2	130.9	179.1	-66.7	174.3	0	0	0	110.4	V58 K59 W62 Y108 P109 G114	V58-I112 HydrophobicContact CG1-CG2 4.24Å; K59-I112 WeakPolarHBondContact CE-O 3.39Å; K59-I112 HydrophobicContact CG-CB 4.29Å; K59-I112 HydrophobicContact CG-CG2 4.41Å; K59-I112 PolarHBondContact NZ-O 3.08Å; W62-I112 HydrophobicContact CB-CD1 3.76Å; W62-I112 HydrophobicContact CD2-CD1 4.46Å; W62-I112 HydrophobicContact CG-CD1 3.76Å; Y108-I112 HydrophobicContact CD1-CD1 4.34Å; Y108-I112 HydrophobicContact CD1-CG1 4.4Å; Y108-I112 HydrophobicContact CE1-CD1 3.87Å; Y108-I112 HydrophobicContact CE1-CG1 4Å; Y108-I112 PolarHBondContact O-N 2.8Å; P109-I112 PolarHBondContact O-N 3.45Å; I112-G114 WeakPolarHBondContact CG2-O 3.19Å
113	R	87.9	Confident	92.8	Very high	102 Å²	102	42.6 Å²	42.6	39%	0.385	22%	0.223	S	C	.	.			trans	-116	113.8	176.2	-60.5	-172	-174.5	163.2	5.2	110.7	L111 R179 N180 R182	L111-R113 PolarHBondContact O-N 3.44Å; R113-R179 WeakPolarHBondContact CD-O 3.35Å; R113-N180 VanDerWaalsContact CZ-OD1 3.32Å; R113-N180 PolarHBondContact NH1-OD1 3.45Å; R113-N180 PolarHBondContact NH2-OD1 2.9Å; R113-R182 WeakPolarHBondContact O-CD 3.21Å
114	G	79.8	Confident	92.8	Very high	20 Å²	20	43.6 Å²	43.6	21%	0.206	23%	0.233	C	C	.	.	S	Bend	trans	62.3	-151.6	-177.5	0	0	0	0	0	112.7	I112	I112-G114 WeakPolarHBondContact CG2-O 3.19Å
115	G	79.3	Confident	92.7	Very high	22 Å²	22	49.2 Å²	49.2	23%	0.227	26%	0.263	C	S	.	.			trans	104.5	157.8	179.9	0	0	0	0	0	114
116	K	86.7	Confident	92.8	Very high	90 Å²	90	50.3 Å²	50.3	39%	0.391	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-75.6	147.8	176.4	-68.2	-173.1	173.6	-175	0	110	G45 I187	G45-K116 WeakPolarHBondContact O-CD 3.38Å; K116-I187 HydrophobicContact CG-CG2 4.45Å
117	S	90.9	Very high	92.9	Very high	56 Å²	56	50.9 Å²	50.9	39%	0.392	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-55.6	147.9	170	-58.2	0	0	0	0	111.6	V56	V56-S117 CarbonylContact O-C 3.57Å; V56-S117 WeakPolarHBondContact O-CA 3.48Å; V56-S117 VanDerWaalsContact O-CB 3.28Å; V56-S117 WeakPolarHBondContact O-CB 3.35Å
118	T	94.2	Very high	92.9	Very high	4 Å²	4	51.2 Å²	51.2	3%	0.025	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	129.2	177.9	-58.5	0	0	0	0	109	V56 A61 F123	V56-T118 WeakPolarHBondContact CB-O 3.26Å; V56-T118 PolarHBondContact N-O 3.11Å; V56-T118 PolarHBondContact O-N 2.88Å; A61-T118 HydrophobicContact CB-CG2 4.35Å; T118-F123 HydrophobicContact CG2-CB 4.11Å
119	P	96.6	Very high	93.1	Very high	4 Å²	4	51.9 Å²	51.9	3%	0.026	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	139.9	172.7	-27.6	39.5	0	0	0	112.2	P43 A48 T49 Y52 A121 S122 F123	P43-P119 WeakPolarHBondContact O-CD 3.49Å; P43-P119 WeakPolarHBondContact O-CG 3.34Å; A48-P119 HydrophobicContact CB-CG 4.13Å; T49-P119 WeakPolarHBondContact O-CG 3.28Å; Y52-P119 WeakPolarHBondContact O-CB 3.35Å; P119-A121 VanDerWaalsContact C-N 3.29Å; P119-A121 PolarHBondContact O-N 3.46Å; P119-S122 PolarHBondContact O-N 2.77Å; P119-S122 VanDerWaalsContact O-N 3.12Å; P119-F123 PolarHBondContact O-N 3.34Å; P119-F123 VanDerWaalsContact O-N 3.15Å
120	F	96.2	Very high	93.3	Very high	85 Å²	85	52 Å²	52	37%	0.373	28%	0.282	S	S	.	.	H	α-helix	trans	-53.7	-41.1	-174.7	178.5	-101.7	0	0	0	113.7	F54 V56 S122 F123 A124	F54-F120 HydrophobicContact CD1-CB 4.04Å; F54-F120 HydrophobicContact CD1-CG 4.25Å; F54-F120 HydrophobicContact CD2-CB 4.28Å; F54-F120 HydrophobicContact CE1-CB 3.88Å; F54-F120 AromaticContact CE1-CD1 3.98Å; F54-F120 HydrophobicContact CE1-CD1 3.98Å; F54-F120 AromaticContact CE1-CD2 3.78Å; F54-F120 HydrophobicContact CE1-CD2 3.78Å; F54-F120 HydrophobicContact CE1-CE1 4.48Å; F54-F120 HydrophobicContact CE1-CE2 4.31Å; F54-F120 AromaticContact CE1-CG 3.59Å; F54-F120 HydrophobicContact CE1-CG 3.59Å; F54-F120 HydrophobicContact CE2-CB 4.13Å; F54-F120 AromaticContact CE2-CD2 3.76Å; F54-F120 HydrophobicContact CE2-CD2 3.76Å; F54-F120 HydrophobicContact CE2-CG 4.14Å; F54-F120 HydrophobicContact CG-CB 4.24Å; F54-F120 HydrophobicContact CZ-CB 3.93Å; F54-F120 HydrophobicContact CZ-CD1 4.27Å; F54-F120 AromaticContact CZ-CD2 3.22Å; F54-F120 HydrophobicContact CZ-CD2 3.22Å; F54-F120 AromaticContact CZ-CE2 3.72Å; F54-F120 HydrophobicContact CZ-CE2 3.72Å; F54-F120 AromaticContact CZ-CG 3.53Å; F54-F120 HydrophobicContact CZ-CG 3.53Å; F54-F120 HydrophobicContact CZ-CZ 4.42Å; F54-F120 WeakPolarHBondContact O-CB 3.25Å; F54-F120 PolarHBondContact O-N 3.3Å; V56-F120 HydrophobicContact CG2-CB 4.12Å; V56-F120 HydrophobicContact CG2-CD2 4.05Å; F120-S122 PolarHBondContact O-N 3.26Å; F120-F123 HydrophobicContact CD2-CD1 4.03Å; F120-F123 HydrophobicContact CE2-CD1 4.17Å; F120-F123 HydrophobicContact CE2-CE1 4.35Å; F120-F123 WeakPolarHBondContact O-CB 3.44Å; F120-F123 PolarHBondContact O-N 2.8Å; F120-A124 HydrophobicContact CE1-CB 4.35Å; F120-A124 HydrophobicContact CZ-CB 4.4Å; F120-A124 WeakPolarHBondContact O-CB 3.15Å; F120-A124 PolarHBondContact O-N 2.83Å
121	A	96	Very high	93.5	Very high	47 Å²	47	49.1 Å²	49.1	39%	0.388	27%	0.272	S	S	.	.	H	α-helix	trans	-65.1	-38.8	-179	0	0	0	0	0	112.5	Y52 P119 A124 L125	Y52-A121 WeakPolarHBondContact O-CB 3.35Å; Y52-A121 PolarHBondContact O-N 3.39Å; P119-A121 VanDerWaalsContact C-N 3.29Å; P119-A121 PolarHBondContact O-N 3.46Å; A121-A124 PolarHBondContact O-N 3.22Å; A121-L125 VanDerWaalsContact O-CB 3.32Å; A121-L125 WeakPolarHBondContact O-CB 3.22Å; A121-L125 PolarHBondContact O-N 3.22Å
122	S	95.1	Very high	93.8	Very high	17 Å²	17	47 Å²	47	12%	0.119	26%	0.258	C	S	.	.	H	α-helix	trans	-65.4	-42.1	174.9	-61.1	0	0	0	0	111.9	P43 P119 F120 A126	P43-S122 WeakPolarHBondContact CG-OG 3.42Å; P43-S122 PolarHBondContact O-OG 3.1Å; P119-S122 PolarHBondContact O-N 2.77Å; P119-S122 VanDerWaalsContact O-N 3.12Å; F120-S122 PolarHBondContact O-N 3.26Å; S122-A126 WeakPolarHBondContact O-CB 3.46Å; S122-A126 PolarHBondContact O-N 3.34Å
123	F	96.5	Very high	94.2	Very high	23 Å²	23	46.3 Å²	46.3	10%	0.101	25%	0.254	C	S	.	.	H	α-helix	trans	-60.3	-49.5	175.4	161.3	-105.4	0	0	0	111.7	V56 F60 A61 V64 Q65 T118 P119 F120 L125 A126 F127	V56-F123 HydrophobicContact CG2-CD1 4.36Å; F60-F123 HydrophobicContact CE1-CZ 4.44Å; A61-F123 HydrophobicContact CB-CB 4.49Å; A61-F123 HydrophobicContact CB-CD2 3.79Å; A61-F123 HydrophobicContact CB-CE2 4.48Å; A61-F123 HydrophobicContact CB-CG 4.39Å; A61-F123 WeakPolarHBondContact O-CD2 3.35Å; A61-F123 WeakPolarHBondContact O-CE2 3.2Å; V64-F123 HydrophobicContact CB-CE2 3.85Å; V64-F123 HydrophobicContact CB-CZ 4.04Å; V64-F123 HydrophobicContact CG1-CE2 3.94Å; V64-F123 HydrophobicContact CG1-CZ 3.7Å; Q65-F123 HydrophobicContact CB-CD2 3.82Å; Q65-F123 HydrophobicContact CB-CE2 3.94Å; T118-F123 HydrophobicContact CG2-CB 4.11Å; P119-F123 PolarHBondContact O-N 3.34Å; P119-F123 VanDerWaalsContact O-N 3.15Å; F120-F123 HydrophobicContact CD2-CD1 4.03Å; F120-F123 HydrophobicContact CE2-CD1 4.17Å; F120-F123 HydrophobicContact CE2-CE1 4.35Å; F120-F123 WeakPolarHBondContact O-CB 3.44Å; F120-F123 PolarHBondContact O-N 2.8Å; F123-L125 PolarHBondContact O-N 3.18Å; F123-A126 PolarHBondContact O-N 3.49Å; F123-F127 PolarHBondContact O-N 3.47Å
124	A	97.6	Very high	94.6	Very high	31 Å²	31	41.5 Å²	41.5	26%	0.256	24%	0.236	S	C	.	.	H	α-helix	trans	-64.1	-41.8	-179.6	0	0	0	0	0	112	F120 A121 F127 V128	F120-A124 HydrophobicContact CE1-CB 4.35Å; F120-A124 HydrophobicContact CZ-CB 4.4Å; F120-A124 WeakPolarHBondContact O-CB 3.15Å; F120-A124 PolarHBondContact O-N 2.83Å; A121-A124 PolarHBondContact O-N 3.22Å; A124-F127 WeakPolarHBondContact O-CB 3.4Å; A124-F127 PolarHBondContact O-N 3.05Å; A124-V128 WeakPolarHBondContact O-CG2 3.49Å; A124-V128 PolarHBondContact O-N 3.3Å
125	L	96.3	Very high	95.5	Very high	127 Å²	127	42.1 Å²	42.1	67%	0.665	23%	0.232	S	C	*	.	H	α-helix	trans	-64.7	-41.4	177.5	-173.9	62.9	0	0	0	111.8	A121 F123 V128 F129	A121-L125 VanDerWaalsContact O-CB 3.32Å; A121-L125 WeakPolarHBondContact O-CB 3.22Å; A121-L125 PolarHBondContact O-N 3.22Å; F123-L125 PolarHBondContact O-N 3.18Å; L125-V128 PolarHBondContact O-N 2.96Å; L125-F129 VanDerWaalsContact O-CB 3.31Å; L125-F129 WeakPolarHBondContact O-CB 3.03Å; L125-F129 PolarHBondContact O-N 2.92Å
126	A	97.1	Very high	96.4	Very high	23 Å²	23	41 Å²	41	19%	0.19	22%	0.222	C	C	.	.	H	α-helix	trans	-63.7	-40.2	175.4	0	0	0	0	0	112	Q65 S122 F123 F129 C130	Q65-A126 HydrophobicContact CB-CB 3.91Å; Q65-A126 HydrophobicContact CG-CB 4.02Å; S122-A126 WeakPolarHBondContact O-CB 3.46Å; S122-A126 PolarHBondContact O-N 3.34Å; F123-A126 PolarHBondContact O-N 3.49Å; A126-F129 PolarHBondContact O-N 2.82Å; A126-C130 WeakPolarHBondContact O-CB 3.32Å; A126-C130 PolarHBondContact O-N 2.68Å; A126-C130 PolarHBondContact O-SG 2.84Å
127	F	98.4	Very high	97	Very high	75 Å²	75	36.9 Å²	36.9	33%	0.329	20%	0.204	S	C	.	.	H	α-helix	trans	-60.5	-48.4	175.5	-178	-91.5	0	0	0	112.1	V64 Q65 P68 F123 A124 C130 I131	V64-F127 HydrophobicContact CG1-CD2 4.07Å; V64-F127 HydrophobicContact CG1-CE2 4.06Å; V64-F127 VanDerWaalsContact O-CD2 3.29Å; V64-F127 WeakPolarHBondContact O-CD2 3.35Å; Q65-F127 HydrophobicContact CB-CB 4.44Å; P68-F127 HydrophobicContact CG-CD2 3.56Å; P68-F127 HydrophobicContact CG-CE1 4.5Å; P68-F127 HydrophobicContact CG-CE2 3.3Å; P68-F127 HydrophobicContact CG-CG 4.26Å; P68-F127 HydrophobicContact CG-CZ 3.82Å; F123-F127 PolarHBondContact O-N 3.47Å; A124-F127 WeakPolarHBondContact O-CB 3.4Å; A124-F127 PolarHBondContact O-N 3.05Å; F127-C130 PolarHBondContact O-N 3.4Å; F127-I131 HydrophobicContact CD1-CD1 3.83Å; F127-I131 HydrophobicContact CE1-CD1 3.38Å; F127-I131 HydrophobicContact CE1-CG1 4.4Å; F127-I131 HydrophobicContact CZ-CD1 4Å; F127-I131 PolarHBondContact O-N 3.18Å; F127-I131 VanDerWaalsContact O-N 3.14Å
128	V	98.1	Very high	97.3	Very high	90 Å²	90	34.2 Å²	34.2	55%	0.545	19%	0.185	S	C	.	.	H	α-helix	trans	-62.9	-44.7	176.8	173.3	0	0	0	0	110.8	A124 L125 C130 I131 Y132	A124-V128 WeakPolarHBondContact O-CG2 3.49Å; A124-V128 PolarHBondContact O-N 3.3Å; L125-V128 PolarHBondContact O-N 2.96Å; V128-C130 VanDerWaalsContact C-N 3.3Å; V128-C130 PolarHBondContact O-N 3Å; V128-I131 PolarHBondContact O-N 2.79Å; V128-Y132 WeakPolarHBondContact O-CB 3.47Å; V128-Y132 PolarHBondContact O-N 3.09Å
129	F	97.9	Very high	97.5	Very high	43 Å²	43	34.4 Å²	34.4	19%	0.189	19%	0.185	C	C	.	.	H	α-helix	trans	-58.2	-42	176.5	178.1	-93.5	0	0	0	111.8	M26 L125 A126 Y132 N133 F227 F230	M26-F129 HydrophobicContact CE-CE2 4.09Å; M26-F129 HydrophobicContact CE-CZ 4.41Å; M26-F129 HydrophobicContact SD-CE2 4.32Å; L125-F129 VanDerWaalsContact O-CB 3.31Å; L125-F129 WeakPolarHBondContact O-CB 3.03Å; L125-F129 PolarHBondContact O-N 2.92Å; A126-F129 PolarHBondContact O-N 2.82Å; F129-Y132 HydrophobicContact CD2-CD1 4.27Å; F129-Y132 PolarHBondContact O-N 3.27Å; F129-N133 HydrophobicContact CD1-CB 4.43Å; F129-N133 HydrophobicContact CE1-CB 4.04Å; F129-N133 HydrophobicContact CZ-CB 4.1Å; F129-N133 VanDerWaalsContact O-CB 3.22Å; F129-N133 WeakPolarHBondContact O-CB 3.35Å; F129-N133 PolarHBondContact O-N 3.18Å; F129-F227 HydrophobicContact CE1-CD2 4.38Å; F129-F227 AromaticContact CE1-CE2 3.83Å; F129-F227 HydrophobicContact CE1-CE2 3.83Å; F129-F227 AromaticContact CZ-CD2 3.81Å; F129-F227 HydrophobicContact CZ-CD2 3.81Å; F129-F227 AromaticContact CZ-CE2 3.7Å; F129-F227 HydrophobicContact CZ-CE2 3.7Å; F129-F230 HydrophobicContact CD2-CE1 4.02Å; F129-F230 HydrophobicContact CD2-CZ 4.37Å; F129-F230 AromaticContact CE2-CD1 3.56Å; F129-F230 HydrophobicContact CE2-CD1 3.56Å; F129-F230 AromaticContact CE2-CE1 3.47Å; F129-F230 HydrophobicContact CE2-CE1 3.47Å; F129-F230 VanDerWaalsContact CE2-CE1 3.47Å; F129-F230 HydrophobicContact CE2-CG 4.24Å; F129-F230 HydrophobicContact CE2-CZ 4.1Å; F129-F230 AromaticContact CZ-CD1 3.67Å; F129-F230 HydrophobicContact CZ-CD1 3.67Å; F129-F230 AromaticContact CZ-CE1 3.83Å; F129-F230 HydrophobicContact CZ-CE1 3.83Å
130	C	98.4	Very high	97.6	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.02	19%	0.193	C	C	.	.	H	α-helix	trans	-67.3	-35.6	179.6	-75	0	0	0	0	113.2	Q65 P68 A69 A126 F127 V128 G134	Q65-C130 VanDerWaalsContact O-CB 3.23Å; Q65-C130 WeakPolarHBondContact O-CB 3.37Å; Q65-C130 PolarHBondContact O-SG 3.08Å; P68-C130 HydrophobicContact CB-CB 4.2Å; A69-C130 WeakPolarHBondContact CA-O 3.3Å; A69-C130 HydrophobicContact CB-CB 3.7Å; A126-C130 WeakPolarHBondContact O-CB 3.32Å; A126-C130 PolarHBondContact O-N 2.68Å; A126-C130 PolarHBondContact O-SG 2.84Å; F127-C130 PolarHBondContact O-N 3.4Å; V128-C130 VanDerWaalsContact C-N 3.3Å; V128-C130 PolarHBondContact O-N 3Å; C130-G134 PolarHBondContact O-N 2.96Å
131	I	98.2	Very high	97.6	Very high	68 Å²	68	32.5 Å²	32.5	35%	0.349	18%	0.176	S	C	.	.	H	α-helix	trans	-63.2	-53.5	170.9	-67.6	167.8	0	0	0	109.7	P68 F127 V128 G134 Y135	P68-I131 HydrophobicContact CB-CB 4.38Å; P68-I131 HydrophobicContact CB-CD1 4.43Å; P68-I131 HydrophobicContact CB-CG1 3.39Å; P68-I131 HydrophobicContact CG-CG1 3.96Å; F127-I131 HydrophobicContact CD1-CD1 3.83Å; F127-I131 HydrophobicContact CE1-CD1 3.38Å; F127-I131 HydrophobicContact CE1-CG1 4.4Å; F127-I131 HydrophobicContact CZ-CD1 4Å; F127-I131 PolarHBondContact O-N 3.18Å; F127-I131 VanDerWaalsContact O-N 3.14Å; V128-I131 PolarHBondContact O-N 2.79Å; I131-G134 PolarHBondContact O-N 2.85Å; I131-Y135 VanDerWaalsContact O-CB 3.25Å; I131-Y135 WeakPolarHBondContact O-CB 3.27Å; I131-Y135 PolarHBondContact O-N 3.32Å
132	Y	97.5	Very high	97.7	Very high	43 Å²	43	30.3 Å²	30.3	17%	0.169	16%	0.157	C	C	.	.	H	α-helix	trans	-60.1	-51.8	-175.3	158.3	-104.5	0	0	0	112.2	L22 M26 V128 F129 M136	L22-Y132 HydrophobicContact CB-CD2 4.45Å; L22-Y132 HydrophobicContact CB-CE2 3.59Å; L22-Y132 HydrophobicContact CD1-CD2 4.31Å; L22-Y132 HydrophobicContact CD1-CE2 4.24Å; L22-Y132 HydrophobicContact CD2-CD2 3.91Å; L22-Y132 HydrophobicContact CD2-CE2 3.49Å; L22-Y132 VanDerWaalsContact CD2-CE2 3.49Å; L22-Y132 HydrophobicContact CG-CD2 4.41Å; L22-Y132 HydrophobicContact CG-CE2 3.9Å; L22-Y132 PolarHBondContact O-OH 3.04Å; M26-Y132 WeakPolarHBondContact CA-OH 3.45Å; M26-Y132 HydrophobicContact CB-CE1 4.34Å; M26-Y132 VanDerWaalsContact CB-OH 3.24Å; M26-Y132 WeakPolarHBondContact CB-OH 3.47Å; M26-Y132 HydrophobicContact CE-CD1 3.91Å; M26-Y132 HydrophobicContact CE-CE1 3.2Å; M26-Y132 HydrophobicContact CG-CE1 4.2Å; M26-Y132 PolarHBondContact N-OH 3.28Å; V128-Y132 WeakPolarHBondContact O-CB 3.47Å; V128-Y132 PolarHBondContact O-N 3.09Å; F129-Y132 HydrophobicContact CD2-CD1 4.27Å; F129-Y132 PolarHBondContact O-N 3.27Å; Y132-M136 VanDerWaalsContact O-CB 3.3Å; Y132-M136 WeakPolarHBondContact O-CB 3.36Å; Y132-M136 PolarHBondContact O-N 2.98Å
133	N	98.5	Very high	97.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-67.6	-44.3	179.5	-173.1	48.8	0	0	0	111.1	M26 F129 Y135 M136 Q137 F227	M26-N133 HydrophobicContact CE-CB 4.16Å; M26-N133 WeakPolarHBondContact CE-OD1 3.42Å; F129-N133 HydrophobicContact CD1-CB 4.43Å; F129-N133 HydrophobicContact CE1-CB 4.04Å; F129-N133 HydrophobicContact CZ-CB 4.1Å; F129-N133 VanDerWaalsContact O-CB 3.22Å; F129-N133 WeakPolarHBondContact O-CB 3.35Å; F129-N133 PolarHBondContact O-N 3.18Å; N133-Y135 PolarHBondContact O-N 3.22Å; N133-M136 PolarHBondContact O-N 2.93Å; N133-Q137 WeakPolarHBondContact O-CB 3.25Å; N133-Q137 WeakPolarHBondContact O-CG 3.05Å; N133-Q137 PolarHBondContact O-N 3.15Å; N133-Q137 WeakPolarHBondContact OD1-CG 3.21Å; N133-F227 WeakPolarHBondContact ND2-CD1 3.42Å; N133-F227 VanDerWaalsContact ND2-CE1 3.27Å; N133-F227 WeakPolarHBondContact ND2-CE1 3.28Å; N133-F227 WeakPolarHBondContact ND2-CE2 3.3Å; N133-F227 VanDerWaalsContact ND2-CZ 3.28Å; N133-F227 WeakPolarHBondContact ND2-CZ 3.5Å; N133-F227 WeakPolarHBondContact OD1-CG 3.26Å
134	G	98.3	Very high	97.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.7	-44.4	179.2	0	0	0	0	0	112.6	P73 Y97 C130 I131 V138	P73-G134 WeakPolarHBondContact CG-O 3.34Å; Y97-G134 VanDerWaalsContact OH-CA 3.24Å; Y97-G134 WeakPolarHBondContact OH-CA 3.41Å; C130-G134 PolarHBondContact O-N 2.96Å; I131-G134 PolarHBondContact O-N 2.85Å; G134-V138 PolarHBondContact O-N 3.45Å; G134-V138 VanDerWaalsContact O-N 3.16Å
135	Y	98.1	Very high	97.7	Very high	33 Å²	33	29 Å²	29	13%	0.129	14%	0.143	C	C	.	.	H	α-helix	trans	-58	-54.8	172.4	173.9	-102.9	0	0	0	111.2	L5 F9 E15 L19 L22 L76 I131 N133 Q137 R139	L5-Y135 HydrophobicContact CD2-CE2 3.83Å; F9-Y135 WeakPolarHBondContact CE2-OH 3.25Å; F9-Y135 WeakPolarHBondContact CZ-OH 3.3Å; E15-Y135 PolarHBondContact OE1-OH 3.35Å; L19-Y135 HydrophobicContact CD2-CD1 4.05Å; L19-Y135 HydrophobicContact CD2-CE1 3.57Å; L22-Y135 HydrophobicContact CD1-CD1 4.09Å; L22-Y135 HydrophobicContact CD1-CE1 4.15Å; L76-Y135 HydrophobicContact CD1-CD2 4.01Å; L76-Y135 HydrophobicContact CD2-CD2 4.3Å; L76-Y135 HydrophobicContact CD2-CE2 4.37Å; I131-Y135 VanDerWaalsContact O-CB 3.25Å; I131-Y135 WeakPolarHBondContact O-CB 3.27Å; I131-Y135 PolarHBondContact O-N 3.32Å; N133-Y135 PolarHBondContact O-N 3.22Å; Y135-Q137 PolarHBondContact O-N 3.48Å; Y135-R139 HydrophobicContact CD2-CB 4.32Å; Y135-R139 HydrophobicContact CE2-CB 4.11Å; Y135-R139 HydrophobicContact CE2-CG 4.06Å; Y135-R139 WeakPolarHBondContact O-CB 3.48Å; Y135-R139 PolarHBondContact O-N 3.42Å
136	M	98.3	Very high	97.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-57	-50.9	-176	-175.7	-174.8	76.2	0	0	112.4	L19 L22 A23 M26 Y132 N133 Y140 H223 S226	L19-M136 HydrophobicContact CD2-CB 4.47Å; L19-M136 HydrophobicContact CD2-CG 4.43Å; L22-M136 HydrophobicContact CB-CG 4.29Å; L22-M136 HydrophobicContact CB-SD 3.92Å; A23-M136 VanDerWaalsContact CA-SD 3.58Å; A23-M136 HydrophobicContact CB-SD 3.92Å; A23-M136 PolarHBondContact N-SD 2.62Å; M26-M136 HydrophobicContact CE-CE 3.4Å; M26-M136 HydrophobicContact CE-SD 4.21Å; M26-M136 HydrophobicContact SD-CE 4.3Å; Y132-M136 VanDerWaalsContact O-CB 3.3Å; Y132-M136 WeakPolarHBondContact O-CB 3.36Å; Y132-M136 PolarHBondContact O-N 2.98Å; N133-M136 PolarHBondContact O-N 2.93Å; M136-Y140 VanDerWaalsContact O-CB 3.29Å; M136-Y140 WeakPolarHBondContact O-CB 3.37Å; M136-Y140 PolarHBondContact O-N 3.38Å; M136-H223 HydrophobicContact CE-CB 4.33Å; M136-H223 HydrophobicContact CG-CB 4.37Å; M136-S226 WeakPolarHBondContact CE-OG 3.39Å
137	Q	98.6	Very high	97.7	Very high	3 Å²	3	31 Å²	31	1%	0.014	14%	0.144	C	C	.	.	H	α-helix	trans	-66.5	-51.4	-174.6	-65.3	-67.4	88.4	0	0	111.6	Y97 N133 Y135 L141 H223	Y97-Q137 HydrophobicContact CD2-CB 4.25Å; Y97-Q137 HydrophobicContact CE2-CB 3.85Å; Y97-Q137 HydrophobicContact CE2-CG 4.2Å; N133-Q137 WeakPolarHBondContact O-CB 3.25Å; N133-Q137 WeakPolarHBondContact O-CG 3.05Å; N133-Q137 PolarHBondContact O-N 3.15Å; N133-Q137 WeakPolarHBondContact OD1-CG 3.21Å; Y135-Q137 PolarHBondContact O-N 3.48Å; Q137-L141 WeakPolarHBondContact O-CB 3.24Å; Q137-L141 VanDerWaalsContact O-CG 3.3Å; Q137-L141 WeakPolarHBondContact O-CG 3.27Å; Q137-L141 PolarHBondContact O-N 3.26Å; Q137-H223 PolarHBondContact OE1-O 2.99Å; Q137-H223 VanDerWaalsContact OE1-O 3.06Å
138	V	98.2	Very high	97.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-83.2	-31	-171.7	173.2	0	0	0	0	112.3	P73 L76 V77 L94 Y97 G134 L141 S142	P73-V138 HydrophobicContact CB-CB 3.79Å; P73-V138 HydrophobicContact CB-CG1 3.87Å; P73-V138 HydrophobicContact CB-CG2 3.61Å; P73-V138 HydrophobicContact CG-CB 4Å; P73-V138 HydrophobicContact CG-CG2 3.76Å; L76-V138 HydrophobicContact CB-CG1 4.39Å; L76-V138 HydrophobicContact CD1-CB 4.46Å; L76-V138 HydrophobicContact CD1-CG1 4.47Å; V77-V138 HydrophobicContact CG2-CG1 3.81Å; L94-V138 HydrophobicContact CD2-CB 4.28Å; L94-V138 HydrophobicContact CD2-CG1 3.71Å; L94-V138 HydrophobicContact CD2-CG2 4.03Å; Y97-V138 HydrophobicContact CD1-CG2 3.69Å; Y97-V138 HydrophobicContact CD2-CG2 4.34Å; Y97-V138 HydrophobicContact CE1-CG2 3.72Å; Y97-V138 HydrophobicContact CE2-CG2 4.32Å; Y97-V138 HydrophobicContact CG-CG2 4.05Å; G134-V138 PolarHBondContact O-N 3.45Å; G134-V138 VanDerWaalsContact O-N 3.16Å; V138-L141 PolarHBondContact O-N 3.4Å; V138-S142 WeakPolarHBondContact O-CB 3.18Å; V138-S142 PolarHBondContact O-N 3.02Å; V138-S142 PolarHBondContact O-OG 2.91Å
139	R	97.3	Very high	97.2	Very high	8 Å²	8	30.6 Å²	30.6	3%	0.03	16%	0.161	C	C	.	.	H	α-helix	trans	-63.3	-45.2	172.2	-171.9	64.7	178.7	140.7	14.1	110.8	E15 L19 L76 T80 S81 Y135 H143 Y144	E15-R139 VanDerWaalsContact CD-NE 3.31Å; E15-R139 IonicContact OE1-CZ 3.87Å; E15-R139 IonicContact OE1-NE 3.65Å; E15-R139 PolarHBondContact OE1-NE 2.86Å; E15-R139 IonicContact OE1-NH2 3.69Å; E15-R139 IonicContact OE2-CZ 3.4Å; E15-R139 IonicContact OE2-NE 2.88Å; E15-R139 PolarHBondContact OE2-NE 3.32Å; E15-R139 IonicContact OE2-NH2 3.19Å; E15-R139 PolarHBondContact OE2-NH2 3.24Å; L19-R139 HydrophobicContact CD1-CB 4.3Å; L19-R139 HydrophobicContact CD1-CG 3.98Å; L19-R139 HydrophobicContact CD2-CB 4.22Å; L19-R139 HydrophobicContact CD2-CG 4.45Å; L76-R139 HydrophobicContact CD1-CB 3.94Å; T80-R139 PolarHBondContact OG1-NH1 2.9Å; T80-R139 VanDerWaalsContact OG1-NH1 3.12Å; S81-R139 PolarHBondContact O-NH1 3.47Å; S81-R139 VanDerWaalsContact O-NH1 3.1Å; Y135-R139 HydrophobicContact CD2-CB 4.32Å; Y135-R139 HydrophobicContact CE2-CB 4.11Å; Y135-R139 HydrophobicContact CE2-CG 4.06Å; Y135-R139 WeakPolarHBondContact O-CB 3.48Å; Y135-R139 PolarHBondContact O-N 3.42Å; R139-H143 PolarHBondContact NH1-ND1 2.73Å; R139-H143 VanDerWaalsContact O-CB 3.3Å; R139-H143 WeakPolarHBondContact O-CB 3.38Å; R139-H143 PolarHBondContact O-N 3.05Å; R139-H143 VanDerWaalsContact O-N 3.14Å; R139-Y144 HydrophobicContact CG-CE2 4.32Å
140	Y	98.1	Very high	97	Very high	46 Å²	46	33.3 Å²	33.3	18%	0.18	18%	0.177	C	C	.	.	I	π-helix	trans	-59.9	-51.5	175.1	-178.3	-102.6	0	0	0	111.3	L16 M136 S142 Y144 A145 S221 H223	L16-Y140 HydrophobicContact CD1-CD2 4.03Å; L16-Y140 HydrophobicContact CD1-CE2 4.05Å; M136-Y140 VanDerWaalsContact O-CB 3.29Å; M136-Y140 WeakPolarHBondContact O-CB 3.37Å; M136-Y140 PolarHBondContact O-N 3.38Å; Y140-S142 PolarHBondContact O-N 3.47Å; Y140-Y144 CarbonylContact O-C 3.57Å; Y140-Y144 WeakPolarHBondContact O-CA 3.2Å; Y140-Y144 PolarHBondContact O-N 3.07Å; Y140-A145 HydrophobicContact CD1-CB 3.91Å; Y140-A145 HydrophobicContact CE1-CB 3.6Å; Y140-A145 WeakPolarHBondContact O-CB 3.18Å; Y140-A145 PolarHBondContact O-N 2.91Å; Y140-S221 VanDerWaalsContact CE1-CB 3.43Å; Y140-H223 HydrophobicContact CD1-CB 4.41Å; Y140-H223 AromaticContact CD1-ND1 3.61Å; Y140-H223 AromaticContact CD2-CE1 3.23Å; Y140-H223 WeakPolarHBondContact CD2-CE1 3.45Å; Y140-H223 AromaticContact CD2-ND1 3.36Å; Y140-H223 WeakPolarHBondContact CD2-ND1 3.28Å; Y140-H223 AromaticContact CD2-NE2 3.93Å; Y140-H223 AromaticContact CE1-ND1 3.79Å; Y140-H223 AromaticContact CE2-CE1 3.44Å; Y140-H223 VanDerWaalsContact CE2-CE1 3.44Å; Y140-H223 WeakPolarHBondContact CE2-CE1 3.25Å; Y140-H223 AromaticContact CE2-ND1 3.55Å; Y140-H223 AromaticContact CG-CE1 3.72Å; Y140-H223 AromaticContact CG-CG 3.85Å; Y140-H223 AromaticContact CG-ND1 3.39Å; Y140-H223 AromaticContact CZ-ND1 3.75Å
141	L	97.8	Very high	97	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.016	18%	0.184	C	C	.	.	I	π-helix	trans	-66.7	-36.1	-176.9	-73.8	173.1	0	0	0	114.6	N90 L93 L94 Q137 V138 A145 Y147 F215	N90-L141 PolarHBondContact ND2-O 3.24Å; L93-L141 HydrophobicContact CB-CD1 4.18Å; L93-L141 HydrophobicContact CB-CD2 4.28Å; L93-L141 HydrophobicContact CD1-CD2 3.88Å; L94-L141 HydrophobicContact CD2-CB 3.99Å; L94-L141 HydrophobicContact CD2-CD1 4.44Å; L94-L141 HydrophobicContact CG-CB 4.38Å; Q137-L141 WeakPolarHBondContact O-CB 3.24Å; Q137-L141 VanDerWaalsContact O-CG 3.3Å; Q137-L141 WeakPolarHBondContact O-CG 3.27Å; Q137-L141 PolarHBondContact O-N 3.26Å; V138-L141 PolarHBondContact O-N 3.4Å; L141-A145 HydrophobicContact CD2-CB 4.14Å; L141-Y147 HydrophobicContact CD2-CE2 4.35Å; L141-Y147 WeakPolarHBondContact CD2-OH 3.45Å; L141-F215 HydrophobicContact CD1-CE1 4.35Å; L141-F215 HydrophobicContact CD1-CZ 3.72Å
142	S	97.3	Very high	97	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.177	C	C	.	.	I	π-helix	trans	-83.7	-24	-175.9	72.4	0	0	0	0	113.2	A82 A83 K84 V138 Y140	A82-S142 CarbonylContact C-O 3.3Å; A82-S142 VanDerWaalsContact CA-O 3.28Å; A82-S142 WeakPolarHBondContact CA-O 3.45Å; A83-S142 PolarHBondContact N-O 3.38Å; K84-S142 WeakPolarHBondContact CB-O 3.45Å; K84-S142 PolarHBondContact N-O 3.25Å; V138-S142 WeakPolarHBondContact O-CB 3.18Å; V138-S142 PolarHBondContact O-N 3.02Å; V138-S142 PolarHBondContact O-OG 2.91Å; Y140-S142 PolarHBondContact O-N 3.47Å
143	H	95.8	Very high	97	Very high	14 Å²	14	36.1 Å²	36.1	7%	0.065	20%	0.196	C	C	.	.	I	π-helix	trans	-121.6	-39.3	-170.3	-162.8	80.1	0	0	0	114.6	E12 S81 K84 R139	E12-H143 IonicContact OE1-CE1 2.74Å; E12-H143 IonicContact OE1-NE2 3.65Å; S81-H143 PolarHBondContact O-ND1 2.98Å; S81-H143 PolarHBondContact OG-CE1 3.26Å; K84-H143 VanDerWaalsContact CG-O 3.26Å; K84-H143 WeakPolarHBondContact CG-O 3.5Å; R139-H143 PolarHBondContact NH1-ND1 2.73Å; R139-H143 VanDerWaalsContact O-CB 3.3Å; R139-H143 WeakPolarHBondContact O-CB 3.38Å; R139-H143 PolarHBondContact O-N 3.05Å; R139-H143 VanDerWaalsContact O-N 3.14Å
144	Y	96.6	Very high	97	Very high	29 Å²	29	37 Å²	37	11%	0.114	20%	0.202	C	C	.	.	I	π-helix	trans	-110.7	-31	-169.5	-65.8	-73.3	0	0	0	114.7	E12 E15 L16 L19 R139 Y140 E146	E12-Y144 WeakPolarHBondContact CA-OH 3.16Å; E12-Y144 HydrophobicContact CB-CE1 4.16Å; E12-Y144 PolarHBondContact O-OH 3.39Å; E12-Y144 VanDerWaalsContact O-OH 3.07Å; E15-Y144 WeakPolarHBondContact CB-OH 3.48Å; E15-Y144 HydrophobicContact CG-CE2 4.16Å; E15-Y144 PolarHBondContact OE2-OH 2.85Å; L16-Y144 HydrophobicContact CB-CD1 3.99Å; L16-Y144 HydrophobicContact CB-CE1 3.85Å; L16-Y144 HydrophobicContact CB-CG 4.45Å; L16-Y144 HydrophobicContact CD1-CD1 4.12Å; L16-Y144 HydrophobicContact CD1-CD2 4.35Å; L16-Y144 HydrophobicContact CD1-CG 3.9Å; L16-Y144 HydrophobicContact CD2-CD1 4.1Å; L16-Y144 HydrophobicContact CG-CD1 4.3Å; L19-Y144 HydrophobicContact CD1-CD2 3.59Å; L19-Y144 HydrophobicContact CD1-CE2 3.67Å; R139-Y144 HydrophobicContact CG-CE2 4.32Å; Y140-Y144 CarbonylContact O-C 3.57Å; Y140-Y144 WeakPolarHBondContact O-CA 3.2Å; Y140-Y144 PolarHBondContact O-N 3.07Å; Y144-E146 PolarHBondContact O-N 3.42Å
145	A	97.1	Very high	97	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.008	23%	0.234	C	C	.	.			trans	-68	118.1	-172.3	0	0	0	0	0	111.8	N90 Y140 L141 Y147	N90-A145 PolarHBondContact ND2-O 2.9Å; Y140-A145 HydrophobicContact CD1-CB 3.91Å; Y140-A145 HydrophobicContact CE1-CB 3.6Å; Y140-A145 WeakPolarHBondContact O-CB 3.18Å; Y140-A145 PolarHBondContact O-N 2.91Å; L141-A145 HydrophobicContact CD2-CB 4.14Å; A145-Y147 HydrophobicContact CB-CD2 4.45Å; A145-Y147 HydrophobicContact CB-CE2 3.64Å
146	E	96.2	Very high	97	Very high	151 Å²	151	42.3 Å²	42.3	71%	0.706	24%	0.242	S	C	*	.			trans	-104	126	176.4	-53.7	-156.9	148.8	0	0	110.4	K84 Y144	K84-E146 IonicContact NZ-OE1 3.8Å; K84-E146 PolarHBondContact NZ-OE1 3.08Å; Y144-E146 PolarHBondContact O-N 3.42Å
147	Y	97.1	Very high	97	Very high	41 Å²	41	42.8 Å²	42.8	16%	0.161	24%	0.244	C	C	.	.			trans	-124.4	147.9	174.9	-60.2	-78.6	0	0	0	108.9	P89 N90 L93 L141 A145 W151 A219	P89-Y147 HydrophobicContact CB-CD2 3.87Å; P89-Y147 HydrophobicContact CB-CG 3.86Å; P89-Y147 HydrophobicContact CG-CG 4.45Å; N90-Y147 VanDerWaalsContact OD1-CD2 3.3Å; N90-Y147 WeakPolarHBondContact OD1-CD2 3.27Å; L93-Y147 HydrophobicContact CD1-CE1 4.4Å; L93-Y147 HydrophobicContact CD1-CE2 3.91Å; L93-Y147 WeakPolarHBondContact CD1-OH 3.35Å; L141-Y147 HydrophobicContact CD2-CE2 4.35Å; L141-Y147 WeakPolarHBondContact CD2-OH 3.45Å; A145-Y147 HydrophobicContact CB-CD2 4.45Å; A145-Y147 HydrophobicContact CB-CE2 3.64Å; Y147-W151 AromaticContact CD1-CD1 3.34Å; Y147-W151 HydrophobicContact CD1-CD2 4.19Å; Y147-W151 AromaticContact CD1-CG 3.79Å; Y147-W151 HydrophobicContact CD1-CG 3.79Å; Y147-W151 AromaticContact CD1-NE1 3.48Å; Y147-W151 AromaticContact CE1-CD1 3.97Å; Y147-W151 AromaticContact CE1-NE1 3.71Å; Y147-W151 AromaticContact CG-CD1 3.9Å; Y147-W151 HydrophobicContact CG-CG 4.27Å; Y147-A219 VanDerWaalsContact CE1-O 3.3Å; Y147-A219 WeakPolarHBondContact CE1-O 3.48Å; Y147-A219 PolarHBondContact OH-O 2.99Å
148	S	95.1	Very high	97.1	Very high	58 Å²	58	47.3 Å²	47.3	41%	0.406	27%	0.267	S	S	.	.			trans	-64.4	152.8	168.4	66.3	0	0	0	0	110.1	D150 W151	S148-D150 WeakPolarHBondContact CB-OD1 3.29Å; S148-D150 PolarHBondContact O-N 3.08Å; S148-D150 PolarHBondContact OG-OD1 2.86Å; S148-W151 WeakPolarHBondContact O-CB 3.21Å; S148-W151 PolarHBondContact O-N 3.29Å; S148-W151 PolarHBondContact OG-N 3.34Å
149	A	90	Very high	97.1	Very high	99 Å²	99	50.7 Å²	50.7	82%	0.818	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-28.8	-178.2	0	0	0	0	0	112.8
150	D	95.7	Very high	97.2	Very high	99 Å²	99	50.3 Å²	50.3	53%	0.529	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	2	177.9	65.3	-29	0	0	0	113.7	S148 V152 T153	S148-D150 WeakPolarHBondContact CB-OD1 3.29Å; S148-D150 PolarHBondContact O-N 3.08Å; S148-D150 PolarHBondContact OG-OD1 2.86Å; D150-V152 PolarHBondContact O-N 3.14Å; D150-V152 VanDerWaalsContact O-N 3.08Å; D150-T153 WeakPolarHBondContact O-CA 3.48Å; D150-T153 WeakPolarHBondContact O-CB 3.15Å; D150-T153 PolarHBondContact O-N 2.81Å; D150-T153 PolarHBondContact O-OG1 2.97Å
151	W	98.1	Very high	97.2	Very high	47 Å²	47	49.5 Å²	49.5	18%	0.178	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-55.2	-33.9	-176	-175	-113.9	0	0	0	113.5	P89 Y147 S148 T153 S154 C156 F157 A218 H220	P89-W151 HydrophobicContact CB-CB 4.47Å; P89-W151 HydrophobicContact CG-CB 4.09Å; Y147-W151 AromaticContact CD1-CD1 3.34Å; Y147-W151 HydrophobicContact CD1-CD2 4.19Å; Y147-W151 AromaticContact CD1-CG 3.79Å; Y147-W151 HydrophobicContact CD1-CG 3.79Å; Y147-W151 AromaticContact CD1-NE1 3.48Å; Y147-W151 AromaticContact CE1-CD1 3.97Å; Y147-W151 AromaticContact CE1-NE1 3.71Å; Y147-W151 AromaticContact CG-CD1 3.9Å; Y147-W151 HydrophobicContact CG-CG 4.27Å; S148-W151 WeakPolarHBondContact O-CB 3.21Å; S148-W151 PolarHBondContact O-N 3.29Å; S148-W151 PolarHBondContact OG-N 3.34Å; W151-T153 PolarHBondContact O-N 2.88Å; W151-T153 VanDerWaalsContact O-N 3.15Å; W151-S154 WeakPolarHBondContact O-CB 3.18Å; W151-S154 PolarHBondContact O-N 2.82Å; W151-S154 PolarHBondContact O-OG 3.19Å; W151-C156 HydrophobicContact CH2-CB 4.1Å; W151-C156 HydrophobicContact CZ2-CB 4.14Å; W151-F157 AromaticContact CD1-CD2 3.53Å; W151-F157 AromaticContact NE1-CD2 3.6Å; W151-F157 WeakPolarHBondContact O-CB 3.46Å; W151-A218 PolarHBondContact NE1-O 2.8Å; W151-H220 HydrophobicContact CH2-CB 4.31Å; W151-H220 HydrophobicContact CZ2-CB 3.74Å
152	V	97.8	Very high	97.2	Very high	32 Å²	32	51.9 Å²	51.9	19%	0.194	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-61.6	-20.5	176.4	-62.1	0	0	0	0	113.8	L88 P89 L92 D150 F157	L88-V152 HydrophobicContact CD2-CG1 4.22Å; L88-V152 HydrophobicContact CD2-CG2 4.32Å; L88-V152 HydrophobicContact CG-CG1 4.13Å; P89-V152 HydrophobicContact CB-CG1 4.25Å; P89-V152 HydrophobicContact CG-CG1 3.91Å; L92-V152 HydrophobicContact CD1-CG1 3.88Å; D150-V152 PolarHBondContact O-N 3.14Å; D150-V152 VanDerWaalsContact O-N 3.08Å; V152-F157 HydrophobicContact CB-CD1 4.14Å; V152-F157 HydrophobicContact CB-CE1 4.14Å; V152-F157 HydrophobicContact CG1-CD1 4.38Å; V152-F157 HydrophobicContact CG1-CE1 4.01Å; V152-F157 HydrophobicContact CG1-CZ 4.12Å
153	T	98	Very high	97.3	Very high	94 Å²	94	55.1 Å²	55.1	58%	0.577	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-94.2	-6.8	175.6	69.3	0	0	0	0	112.9	D150 W151 I158	D150-T153 WeakPolarHBondContact O-CA 3.48Å; D150-T153 WeakPolarHBondContact O-CB 3.15Å; D150-T153 PolarHBondContact O-N 2.81Å; D150-T153 PolarHBondContact O-OG1 2.97Å; W151-T153 PolarHBondContact O-N 2.88Å; W151-T153 VanDerWaalsContact O-N 3.15Å; T153-I158 WeakPolarHBondContact O-CD1 3.22Å
154	S	98.3	Very high	97.5	Very high	18 Å²	18	55.5 Å²	55.5	13%	0.126	33%	0.326	C	S	.	.	S	Bend	trans	-64	145.7	178.3	77	0	0	0	0	110.8	W151 C156 F157 I158	W151-S154 WeakPolarHBondContact O-CB 3.18Å; W151-S154 PolarHBondContact O-N 2.82Å; W151-S154 PolarHBondContact O-OG 3.19Å; S154-C156 PolarHBondContact O-N 3.45Å; S154-F157 PolarHBondContact O-N 2.81Å; S154-F157 WeakPolarHBondContact OG-CB 3.46Å; S154-F157 PolarHBondContact OG-N 3.05Å; S154-F157 VanDerWaalsContact OG-N 3.09Å; S154-I158 WeakPolarHBondContact O-CG1 3.07Å; S154-I158 PolarHBondContact O-N 3.39Å
155	P	98.3	Very high	97.6	Very high	102 Å²	102	58 Å²	58	66%	0.662	34%	0.341	S	S	*	.	H	α-helix	trans	-56.3	-35.5	175.1	-27.1	35.2	0	0	0	113.1	T159	P155-T159 WeakPolarHBondContact O-CB 3.49Å; P155-T159 PolarHBondContact O-N 3.33Å; P155-T159 PolarHBondContact O-OG1 3.42Å
156	C	98.3	Very high	97.6	Very high	44 Å²	44	62 Å²	62	30%	0.297	37%	0.365	S	S	.	.	H	α-helix	trans	-63.8	-47.7	177.5	-65.5	0	0	0	0	111.6	W151 S154 G160 L217	W151-C156 HydrophobicContact CH2-CB 4.1Å; W151-C156 HydrophobicContact CZ2-CB 4.14Å; S154-C156 PolarHBondContact O-N 3.45Å; C156-G160 WeakPolarHBondContact O-CA 3.44Å; C156-G160 PolarHBondContact O-N 3.46Å; C156-L217 HydrophobicContact CB-CD1 4.27Å; C156-L217 HydrophobicContact CB-CG 4.45Å
157	F	98.7	Very high	97.8	Very high	9 Å²	9	54.9 Å²	54.9	4%	0.039	33%	0.332	C	S	.	.	H	α-helix	trans	-64.8	-49	179.3	-167.3	-87.2	0	0	0	111.7	L92 L93 W151 V152 S154 T159 G160 S161 A218	L92-F157 HydrophobicContact CB-CZ 3.8Å; L92-F157 HydrophobicContact CD1-CE1 3.86Å; L92-F157 HydrophobicContact CD1-CZ 3.78Å; L92-F157 HydrophobicContact CG-CZ 4.47Å; L93-F157 HydrophobicContact CD1-CE2 4.36Å; L93-F157 HydrophobicContact CD2-CE2 4.12Å; L93-F157 HydrophobicContact CG-CE2 3.99Å; W151-F157 AromaticContact CD1-CD2 3.53Å; W151-F157 AromaticContact NE1-CD2 3.6Å; W151-F157 WeakPolarHBondContact O-CB 3.46Å; V152-F157 HydrophobicContact CB-CD1 4.14Å; V152-F157 HydrophobicContact CB-CE1 4.14Å; V152-F157 HydrophobicContact CG1-CD1 4.38Å; V152-F157 HydrophobicContact CG1-CE1 4.01Å; V152-F157 HydrophobicContact CG1-CZ 4.12Å; S154-F157 PolarHBondContact O-N 2.81Å; S154-F157 WeakPolarHBondContact OG-CB 3.46Å; S154-F157 PolarHBondContact OG-N 3.05Å; S154-F157 VanDerWaalsContact OG-N 3.09Å; F157-T159 PolarHBondContact O-N 2.99Å; F157-G160 PolarHBondContact O-N 3.19Å; F157-S161 WeakPolarHBondContact CE1-OG 3.48Å; F157-S161 WeakPolarHBondContact O-CB 3.43Å; F157-S161 PolarHBondContact O-N 3.23Å; F157-S161 PolarHBondContact O-OG 3.24Å; F157-S161 VanDerWaalsContact O-OG 3.08Å; F157-A218 HydrophobicContact CD2-CB 4.05Å; F157-A218 HydrophobicContact CE2-CB 4.42Å; F157-A218 HydrophobicContact CG-CB 4.49Å
158	I	98.7	Very high	97.9	Very high	98 Å²	98	55.3 Å²	55.3	50%	0.503	33%	0.333	S	S	.	.	H	α-helix	trans	-61	-49.5	-179.4	-64.6	171.1	0	0	0	110.9	T153 S154 S161 A162	T153-I158 WeakPolarHBondContact O-CD1 3.22Å; S154-I158 WeakPolarHBondContact O-CG1 3.07Å; S154-I158 PolarHBondContact O-N 3.39Å; I158-S161 PolarHBondContact O-N 3.5Å; I158-A162 WeakPolarHBondContact O-CB 3.28Å; I158-A162 PolarHBondContact O-N 3.25Å
159	T	98.8	Very high	98	Very high	71 Å²	71	57.1 Å²	57.1	44%	0.436	34%	0.338	S	S	.	.	H	α-helix	trans	-65.4	-43	-179.8	-54.1	0	0	0	0	110.7	P155 F157 A162 L163 L217	P155-T159 WeakPolarHBondContact O-CB 3.49Å; P155-T159 PolarHBondContact O-N 3.33Å; P155-T159 PolarHBondContact O-OG1 3.42Å; F157-T159 PolarHBondContact O-N 2.99Å; T159-A162 PolarHBondContact O-N 2.88Å; T159-L163 HydrophobicContact CG2-CD1 4.11Å; T159-L163 HydrophobicContact CG2-CG 4.44Å; T159-L163 WeakPolarHBondContact O-CB 3.3Å; T159-L163 VanDerWaalsContact O-CG 3.3Å; T159-L163 WeakPolarHBondContact O-CG 3.43Å; T159-L163 PolarHBondContact O-N 2.99Å; T159-L217 HydrophobicContact CG2-CD2 3.99Å
160	G	98.8	Very high	98.4	Very high	0 Å²	0	54 Å²	54	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62.8	-45.2	178.3	0	0	0	0	0	112.6	C156 F157 A162 L163 W164 G214	C156-G160 WeakPolarHBondContact O-CA 3.44Å; C156-G160 PolarHBondContact O-N 3.46Å; F157-G160 PolarHBondContact O-N 3.19Å; G160-A162 PolarHBondContact O-N 2.85Å; G160-L163 PolarHBondContact O-N 3.22Å; G160-W164 WeakPolarHBondContact O-CB 3.38Å; G160-W164 PolarHBondContact O-N 3.15Å; G160-G214 CarbonylContact C-O 3.58Å; G160-G214 VanDerWaalsContact C-O 3.3Å; G160-G214 WeakPolarHBondContact CA-O 3.48Å; G160-G214 CarbonylContact O-C 3.44Å; G160-G214 VanDerWaalsContact O-C 3.23Å; G160-G214 WeakPolarHBondContact O-CA 3.41Å
161	S	98.8	Very high	98.6	Very high	29 Å²	29	49.3 Å²	49.3	20%	0.203	28%	0.283	C	S	.	.	H	α-helix	trans	-64.6	-38.6	175.4	-64.5	0	0	0	0	112.7	F157 I158 W164 L165	F157-S161 WeakPolarHBondContact CE1-OG 3.48Å; F157-S161 WeakPolarHBondContact O-CB 3.43Å; F157-S161 PolarHBondContact O-N 3.23Å; F157-S161 PolarHBondContact O-OG 3.24Å; F157-S161 VanDerWaalsContact O-OG 3.08Å; I158-S161 PolarHBondContact O-N 3.5Å; S161-W164 PolarHBondContact O-N 2.8Å; S161-L165 WeakPolarHBondContact O-CB 3.26Å; S161-L165 PolarHBondContact O-N 2.7Å
162	A	98.8	Very high	98.6	Very high	54 Å²	54	49.1 Å²	49.1	45%	0.446	29%	0.286	S	S	.	.	H	α-helix	trans	-64.5	-46.4	175	0	0	0	0	0	111.7	I158 T159 G160 W164 L165 V166	I158-A162 WeakPolarHBondContact O-CB 3.28Å; I158-A162 PolarHBondContact O-N 3.25Å; T159-A162 PolarHBondContact O-N 2.88Å; G160-A162 PolarHBondContact O-N 2.85Å; A162-W164 VanDerWaalsContact C-N 3.34Å; A162-W164 PolarHBondContact O-N 3.47Å; A162-L165 PolarHBondContact O-N 3.22Å; A162-V166 WeakPolarHBondContact O-CG2 3.46Å; A162-V166 PolarHBondContact O-N 2.89Å
163	L	98.8	Very high	98.6	Very high	68 Å²	68	52 Å²	52	36%	0.356	30%	0.297	S	S	.	.	H	α-helix	trans	-60.9	-43.2	175.1	-73.8	173.1	0	0	0	111.6	T159 G160 V166 G167 T210 L217	T159-L163 HydrophobicContact CG2-CD1 4.11Å; T159-L163 HydrophobicContact CG2-CG 4.44Å; T159-L163 WeakPolarHBondContact O-CB 3.3Å; T159-L163 VanDerWaalsContact O-CG 3.3Å; T159-L163 WeakPolarHBondContact O-CG 3.43Å; T159-L163 PolarHBondContact O-N 2.99Å; G160-L163 PolarHBondContact O-N 3.22Å; L163-V166 PolarHBondContact O-N 2.87Å; L163-G167 PolarHBondContact O-N 3.45Å; L163-T210 HydrophobicContact CB-CG2 4.47Å; L163-T210 HydrophobicContact CD2-CG2 4.12Å; L163-L217 HydrophobicContact CD1-CD2 4.22Å
164	W	98.9	Very high	98.6	Very high	21 Å²	21	47.6 Å²	47.6	8%	0.08	27%	0.27	C	S	.	.	H	α-helix	trans	-57	-51.7	176	175.7	83.2	0	0	0	111.3	M96 C99 G160 S161 A162 V166 G167 W168 E211	M96-W164 HydrophobicContact CB-CD2 3.88Å; M96-W164 HydrophobicContact CB-CE3 4.24Å; M96-W164 HydrophobicContact CB-CG 4.45Å; M96-W164 HydrophobicContact CB-CH2 4.19Å; M96-W164 HydrophobicContact CB-CZ2 3.83Å; M96-W164 HydrophobicContact CB-CZ3 4.37Å; M96-W164 HydrophobicContact CE-CB 3.25Å; M96-W164 HydrophobicContact CE-CD2 3.45Å; M96-W164 VanDerWaalsContact CE-CD2 3.45Å; M96-W164 HydrophobicContact CE-CE3 3.77Å; M96-W164 HydrophobicContact CE-CG 3.17Å; M96-W164 HydrophobicContact CG-CD2 3.84Å; M96-W164 HydrophobicContact CG-CE3 3.75Å; M96-W164 HydrophobicContact CG-CG 4.5Å; M96-W164 HydrophobicContact CG-CH2 4.21Å; M96-W164 HydrophobicContact CG-CZ2 4.3Å; M96-W164 HydrophobicContact CG-CZ3 3.94Å; M96-W164 WeakPolarHBondContact O-CZ2 3.4Å; C99-W164 HydrophobicContact CB-CH2 3.93Å; C99-W164 HydrophobicContact CB-CZ2 4.14Å; G160-W164 WeakPolarHBondContact O-CB 3.38Å; G160-W164 PolarHBondContact O-N 3.15Å; S161-W164 PolarHBondContact O-N 2.8Å; A162-W164 VanDerWaalsContact C-N 3.34Å; A162-W164 PolarHBondContact O-N 3.47Å; W164-V166 PolarHBondContact O-N 3Å; W164-G167 PolarHBondContact O-N 2.96Å; W164-W168 HydrophobicContact CH2-CD2 4.38Å; W164-W168 HydrophobicContact CH2-CE3 4.41Å; W164-W168 HydrophobicContact CZ2-CD2 4.46Å; W164-W168 HydrophobicContact CZ2-CG 4.3Å; W164-W168 VanDerWaalsContact O-CB 3.32Å; W164-W168 WeakPolarHBondContact O-CB 3.3Å; W164-W168 PolarHBondContact O-N 3.47Å; W164-E211 HydrophobicContact CG-CG 4.07Å; W164-E211 PolarHBondContact NE1-OE1 2.57Å; W164-E211 VanDerWaalsContact NE1-OE1 3.08Å
165	L	98.8	Very high	98.6	Very high	82 Å²	82	46.9 Å²	46.9	43%	0.429	27%	0.265	S	S	.	.	H	α-helix	trans	-62.8	-45.9	-178.4	179.6	61.1	0	0	0	111.9	S161 A162 W168 L169	S161-L165 WeakPolarHBondContact O-CB 3.26Å; S161-L165 PolarHBondContact O-N 2.7Å; A162-L165 PolarHBondContact O-N 3.22Å; L165-W168 HydrophobicContact CD1-CE3 4.36Å; L165-W168 PolarHBondContact O-N 3.5Å; L165-L169 HydrophobicContact CD1-CD1 4.13Å; L165-L169 HydrophobicContact CD1-CG 4.24Å; L165-L169 HydrophobicContact CG-CD1 4.14Å; L165-L169 WeakPolarHBondContact O-CB 3.41Å; L165-L169 VanDerWaalsContact O-CG 3.26Å; L165-L169 WeakPolarHBondContact O-CG 3.45Å; L165-L169 PolarHBondContact O-N 3.42Å
166	V	98.8	Very high	98.5	Very high	86 Å²	86	46.9 Å²	46.9	52%	0.521	26%	0.255	S	S	.	.	H	α-helix	trans	-61.9	-46.5	177.9	170.7	0	0	0	0	110.7	A162 L163 W164 L169 V170	A162-V166 WeakPolarHBondContact O-CG2 3.46Å; A162-V166 PolarHBondContact O-N 2.89Å; L163-V166 PolarHBondContact O-N 2.87Å; W164-V166 PolarHBondContact O-N 3Å; V166-L169 PolarHBondContact O-N 3.4Å; V166-V170 HydrophobicContact CG1-CG2 4.48Å; V166-V170 VanDerWaalsContact O-CG2 3.3Å; V166-V170 WeakPolarHBondContact O-CG2 3.43Å; V166-V170 PolarHBondContact O-N 2.84Å
167	G	98.8	Very high	98.4	Very high	1 Å²	1	46 Å²	46	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-59.5	-47.5	178.3	0	0	0	0	0	112.6	L163 W164 L169 V170 N171 G207	L163-G167 PolarHBondContact O-N 3.45Å; W164-G167 PolarHBondContact O-N 2.96Å; G167-L169 PolarHBondContact O-N 2.96Å; G167-V170 PolarHBondContact O-N 3.43Å; G167-N171 PolarHBondContact O-N 3.4Å; G167-G207 CarbonylContact C-O 3.28Å; G167-G207 VanDerWaalsContact C-O 3.25Å; G167-G207 WeakPolarHBondContact CA-O 3.3Å; G167-G207 CarbonylContact O-C 3.58Å; G167-G207 VanDerWaalsContact O-C 3.28Å; G167-G207 VanDerWaalsContact O-CA 3.25Å; G167-G207 WeakPolarHBondContact O-CA 3.4Å
168	W	98.8	Very high	98.2	Very high	50 Å²	50	47.8 Å²	47.8	19%	0.189	26%	0.257	C	S	.	.	H	α-helix	trans	-61	-45.2	178.7	-174.4	64.8	0	0	0	112.1	C99 Q103 W164 L165 V170 N171 I172 E211	C99-W168 HydrophobicContact CB-CZ2 4.39Å; Q103-W168 HydrophobicContact CB-CZ2 4.16Å; W164-W168 HydrophobicContact CH2-CD2 4.38Å; W164-W168 HydrophobicContact CH2-CE3 4.41Å; W164-W168 HydrophobicContact CZ2-CD2 4.46Å; W164-W168 HydrophobicContact CZ2-CG 4.3Å; W164-W168 VanDerWaalsContact O-CB 3.32Å; W164-W168 WeakPolarHBondContact O-CB 3.3Å; W164-W168 PolarHBondContact O-N 3.47Å; L165-W168 HydrophobicContact CD1-CE3 4.36Å; L165-W168 PolarHBondContact O-N 3.5Å; W168-V170 PolarHBondContact O-N 3.47Å; W168-N171 PolarHBondContact O-N 3.38Å; W168-I172 HydrophobicContact CD2-CD1 3.65Å; W168-I172 HydrophobicContact CE3-CD1 4.03Å; W168-I172 HydrophobicContact CG-CD1 4.23Å; W168-I172 HydrophobicContact CH2-CD1 3.89Å; W168-I172 HydrophobicContact CZ2-CD1 3.48Å; W168-I172 VanDerWaalsContact CZ2-CD1 3.48Å; W168-I172 HydrophobicContact CZ3-CD1 4.14Å; W168-I172 WeakPolarHBondContact O-CG1 3.47Å; W168-I172 PolarHBondContact O-N 3.06Å; W168-E211 HydrophobicContact CB-CG 4.07Å
169	L	98.7	Very high	97.9	Very high	95 Å²	95	44.2 Å²	44.2	50%	0.497	24%	0.237	S	C	.	.	H	α-helix	trans	-63.1	-42.3	176.5	-70.1	174.1	0	0	0	112.1	L165 V166 G167 I172 H173	L165-L169 HydrophobicContact CD1-CD1 4.13Å; L165-L169 HydrophobicContact CD1-CG 4.24Å; L165-L169 HydrophobicContact CG-CD1 4.14Å; L165-L169 WeakPolarHBondContact O-CB 3.41Å; L165-L169 VanDerWaalsContact O-CG 3.26Å; L165-L169 WeakPolarHBondContact O-CG 3.45Å; L165-L169 PolarHBondContact O-N 3.42Å; V166-L169 PolarHBondContact O-N 3.4Å; G167-L169 PolarHBondContact O-N 2.96Å; L169-I172 PolarHBondContact O-N 2.9Å; L169-H173 VanDerWaalsContact O-CB 3.24Å; L169-H173 WeakPolarHBondContact O-CB 3.2Å; L169-H173 PolarHBondContact O-N 3.38Å
170	V	98.7	Very high	97.6	Very high	34 Å²	34	44 Å²	44	21%	0.206	23%	0.234	C	C	.	.	H	α-helix	trans	-63	-41.9	175.5	169.6	0	0	0	0	111	V166 G167 W168 S174 L196 F206	V166-V170 HydrophobicContact CG1-CG2 4.48Å; V166-V170 VanDerWaalsContact O-CG2 3.3Å; V166-V170 WeakPolarHBondContact O-CG2 3.43Å; V166-V170 PolarHBondContact O-N 2.84Å; G167-V170 PolarHBondContact O-N 3.43Å; W168-V170 PolarHBondContact O-N 3.47Å; V170-S174 WeakPolarHBondContact O-CB 3.5Å; V170-S174 PolarHBondContact O-N 2.82Å; V170-S174 PolarHBondContact O-OG 3.23Å; V170-L196 HydrophobicContact CG1-CD2 3.85Å; V170-F206 HydrophobicContact CG1-CD1 4.41Å
171	N	98.7	Very high	97.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.9	-52.7	176.8	-177.3	-94.9	0	0	0	111	R104 G167 W168 H173 S174 D175 N204 E208	R104-N171 PolarHBondContact NH2-ND2 3.36Å; R104-N171 PolarHBondContact NH2-OD1 3.17Å; G167-N171 PolarHBondContact O-N 3.4Å; W168-N171 PolarHBondContact O-N 3.38Å; N171-H173 PolarHBondContact O-N 3.15Å; N171-S174 PolarHBondContact O-N 3.06Å; N171-D175 WeakPolarHBondContact O-CB 3.43Å; N171-D175 PolarHBondContact O-N 3.04Å; N171-N204 PolarHBondContact ND2-O 3.4Å; N171-E208 PolarHBondContact ND2-OE2 3.46Å
172	I	98.3	Very high	96.5	Very high	44 Å²	44	46.7 Å²	46.7	23%	0.226	24%	0.242	C	C	.	.	H	α-helix	trans	-59.2	-47.1	-179.7	-68.4	174.6	0	0	0	111.5	Q103 W168 L169 D175 H176	Q103-I172 HydrophobicContact CG-CD1 3.84Å; Q103-I172 HydrophobicContact CG-CG1 3.99Å; W168-I172 HydrophobicContact CD2-CD1 3.65Å; W168-I172 HydrophobicContact CE3-CD1 4.03Å; W168-I172 HydrophobicContact CG-CD1 4.23Å; W168-I172 HydrophobicContact CH2-CD1 3.89Å; W168-I172 HydrophobicContact CZ2-CD1 3.48Å; W168-I172 VanDerWaalsContact CZ2-CD1 3.48Å; W168-I172 HydrophobicContact CZ3-CD1 4.14Å; W168-I172 WeakPolarHBondContact O-CG1 3.47Å; W168-I172 PolarHBondContact O-N 3.06Å; L169-I172 PolarHBondContact O-N 2.9Å; I172-D175 PolarHBondContact O-N 3.26Å; I172-H176 WeakPolarHBondContact O-CB 3.21Å; I172-H176 PolarHBondContact O-N 3.28Å
173	H	98.4	Very high	95.6	Very high	93 Å²	93	51.6 Å²	51.6	43%	0.431	25%	0.253	S	S	.	.	H	α-helix	trans	-62.3	-45.3	-180	179.7	74.6	0	0	0	111.3	L169 N171 H176 I177	L169-H173 VanDerWaalsContact O-CB 3.24Å; L169-H173 WeakPolarHBondContact O-CB 3.2Å; L169-H173 PolarHBondContact O-N 3.38Å; N171-H173 PolarHBondContact O-N 3.15Å; H173-H176 WeakPolarHBondContact O-CB 3.37Å; H173-H176 PolarHBondContact O-N 3.03Å; H173-I177 PolarHBondContact O-N 2.96Å
174	S	98.3	Very high	94.4	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.007	27%	0.271	C	S	.	.	H	α-helix	trans	-66.8	-42.7	179.7	-59.1	0	0	0	0	111.9	V170 N171 H176 I177 L178 F197 A203	V170-S174 WeakPolarHBondContact O-CB 3.5Å; V170-S174 PolarHBondContact O-N 2.82Å; V170-S174 PolarHBondContact O-OG 3.23Å; N171-S174 PolarHBondContact O-N 3.06Å; S174-H176 VanDerWaalsContact C-N 3.27Å; S174-H176 PolarHBondContact O-N 2.9Å; S174-I177 PolarHBondContact O-N 3.29Å; S174-L178 WeakPolarHBondContact O-CG 3.4Å; S174-L178 PolarHBondContact O-N 3.18Å; S174-F197 WeakPolarHBondContact O-CE2 3.31Å; S174-A203 WeakPolarHBondContact OG-CB 3.49Å
175	D	96.8	Very high	93	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.016	30%	0.299	C	S	.	.	H	α-helix	trans	-63.4	-35.3	173.6	-86.1	-7.3	0	0	0	111.3	R104 Y108 N171 I172 L178 R179 N204	R104-D175 IonicContact CZ-OD2 3.85Å; R104-D175 IonicContact NH1-OD2 2.88Å; R104-D175 PolarHBondContact NH1-OD2 3.17Å; R104-D175 IonicContact NH2-OD2 3.51Å; Y108-D175 HydrophobicContact CD2-CB 4.36Å; Y108-D175 HydrophobicContact CE2-CB 3.99Å; Y108-D175 VanDerWaalsContact CE2-OD2 3.31Å; Y108-D175 WeakPolarHBondContact CE2-OD2 3.43Å; N171-D175 WeakPolarHBondContact O-CB 3.43Å; N171-D175 PolarHBondContact O-N 3.04Å; I172-D175 PolarHBondContact O-N 3.26Å; D175-L178 PolarHBondContact O-N 3.16Å; D175-R179 WeakPolarHBondContact O-CB 3.35Å; D175-R179 VanDerWaalsContact O-CG 3.24Å; D175-R179 WeakPolarHBondContact O-CG 3.34Å; D175-R179 PolarHBondContact O-N 3.27Å; D175-R179 PolarHBondContact O-NE 2.83Å; D175-N204 WeakPolarHBondContact OD1-CB 3.42Å; D175-N204 PolarHBondContact OD1-ND2 3.12Å
176	H	96.4	Very high	92	Very high	102 Å²	102	54.3 Å²	54.3	47%	0.472	29%	0.29	S	S	.	.	H	α-helix	trans	-61.1	-47.4	172.7	179.3	90.3	0	0	0	111.5	I172 H173 S174 L178 R179 N180	I172-H176 WeakPolarHBondContact O-CB 3.21Å; I172-H176 PolarHBondContact O-N 3.28Å; H173-H176 WeakPolarHBondContact O-CB 3.37Å; H173-H176 PolarHBondContact O-N 3.03Å; S174-H176 VanDerWaalsContact C-N 3.27Å; S174-H176 PolarHBondContact O-N 2.9Å; H176-L178 PolarHBondContact O-N 2.98Å; H176-R179 VanDerWaalsContact N-NH2 3.2Å; H176-R179 PolarHBondContact O-N 3.02Å; H176-N180 PolarHBondContact CD2-ND2 2.93Å; H176-N180 PolarHBondContact CE1-ND2 2.86Å; H176-N180 PolarHBondContact ND1-ND2 3.39Å; H176-N180 PolarHBondContact NE2-ND2 3.46Å; H176-N180 VanDerWaalsContact NE2-ND2 3.18Å; H176-N180 PolarHBondContact O-N 2.88Å; H176-N180 PolarHBondContact O-ND2 3.11Å
177	I	96.7	Very high	90.7	Very high	24 Å²	24	55.2 Å²	55.2	12%	0.123	29%	0.291	C	S	.	.	H	α-helix	trans	-56.9	-52.7	174.8	-68.3	170.6	0	0	0	110.1	H173 S174 R179 N180 L181 P192 T193 G194 F197	H173-I177 PolarHBondContact O-N 2.96Å; S174-I177 PolarHBondContact O-N 3.29Å; I177-R179 VanDerWaalsContact C-N 3.34Å; I177-R179 PolarHBondContact O-N 3.43Å; I177-N180 PolarHBondContact O-N 2.89Å; I177-N180 VanDerWaalsContact O-N 3.07Å; I177-L181 PolarHBondContact O-N 2.66Å; I177-L181 VanDerWaalsContact O-N 3.17Å; I177-P192 HydrophobicContact CG2-CB 4.43Å; I177-T193 WeakPolarHBondContact CG2-O 3.34Å; I177-G194 WeakPolarHBondContact CD1-O 3.38Å; I177-F197 HydrophobicContact CB-CD2 4.24Å; I177-F197 HydrophobicContact CB-CE2 4.05Å; I177-F197 HydrophobicContact CD1-CD2 4.05Å; I177-F197 HydrophobicContact CD1-CE2 4.47Å; I177-F197 HydrophobicContact CG2-CD2 3.9Å; I177-F197 HydrophobicContact CG2-CE2 4.01Å
178	L	94.7	Very high	90	Very high	47 Å²	47	57.7 Å²	57.7	25%	0.246	31%	0.308	C	S	.	.	H	α-helix	trans	-58	-42.9	-177.1	-71.8	175.7	0	0	0	113.1	S174 D175 H176 N180 L181 P192 F197	S174-L178 WeakPolarHBondContact O-CG 3.4Å; S174-L178 PolarHBondContact O-N 3.18Å; D175-L178 PolarHBondContact O-N 3.16Å; H176-L178 PolarHBondContact O-N 2.98Å; L178-N180 VanDerWaalsContact C-N 3.3Å; L178-N180 PolarHBondContact O-N 3.07Å; L178-L181 HydrophobicContact CD2-CD1 4.08Å; L178-L181 WeakPolarHBondContact O-CB 3.14Å; L178-L181 PolarHBondContact O-N 2.81Å; L178-P192 HydrophobicContact CD2-CB 4.07Å; L178-P192 HydrophobicContact CD2-CG 4.39Å; L178-F197 HydrophobicContact CD1-CZ 3.84Å; L178-F197 HydrophobicContact CD2-CE1 4.2Å; L178-F197 HydrophobicContact CD2-CE2 4.25Å; L178-F197 HydrophobicContact CD2-CZ 3.67Å; L178-F197 HydrophobicContact CG-CE2 4Å; L178-F197 HydrophobicContact CG-CZ 3.56Å
179	R	91.3	Very high	89.5	Confident	23 Å²	23	57.6 Å²	57.6	9%	0.087	31%	0.308	C	S	.	.	H	α-helix	trans	-67.2	-31.6	179	-71.8	171.9	-67.6	-175.3	0.8	112.2	Y108 R113 D175 H176 I177	Y108-R179 VanDerWaalsContact CD2-NH1 3.35Å; R113-R179 WeakPolarHBondContact CD-O 3.35Å; D175-R179 WeakPolarHBondContact O-CB 3.35Å; D175-R179 VanDerWaalsContact O-CG 3.24Å; D175-R179 WeakPolarHBondContact O-CG 3.34Å; D175-R179 PolarHBondContact O-N 3.27Å; D175-R179 PolarHBondContact O-NE 2.83Å; H176-R179 VanDerWaalsContact N-NH2 3.2Å; H176-R179 PolarHBondContact O-N 3.02Å; I177-R179 VanDerWaalsContact C-N 3.34Å; I177-R179 PolarHBondContact O-N 3.43Å
180	N	92.6	Very high	89.3	Confident	68 Å²	68	56.8 Å²	56.8	36%	0.364	30%	0.301	S	S	.	.	H	α-helix	trans	-83.9	-8	179.1	-74.1	-71.3	0	0	0	114	R113 H176 I177 L178 R182	R113-N180 VanDerWaalsContact CZ-OD1 3.32Å; R113-N180 PolarHBondContact NH1-OD1 3.45Å; R113-N180 PolarHBondContact NH2-OD1 2.9Å; H176-N180 PolarHBondContact CD2-ND2 2.93Å; H176-N180 PolarHBondContact CE1-ND2 2.86Å; H176-N180 PolarHBondContact ND1-ND2 3.39Å; H176-N180 PolarHBondContact NE2-ND2 3.46Å; H176-N180 VanDerWaalsContact NE2-ND2 3.18Å; H176-N180 PolarHBondContact O-N 2.88Å; H176-N180 PolarHBondContact O-ND2 3.11Å; I177-N180 PolarHBondContact O-N 2.89Å; I177-N180 VanDerWaalsContact O-N 3.07Å; L178-N180 VanDerWaalsContact C-N 3.3Å; L178-N180 PolarHBondContact O-N 3.07Å; N180-R182 PolarHBondContact O-N 2.63Å
181	L	91.1	Very high	89.1	Confident	37 Å²	37	56.6 Å²	56.6	19%	0.194	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-25.4	169.9	-65.5	177.1	0	0	0	112.6	I177 L178 K190 P192	I177-L181 PolarHBondContact O-N 2.66Å; I177-L181 VanDerWaalsContact O-N 3.17Å; L178-L181 HydrophobicContact CD2-CD1 4.08Å; L178-L181 WeakPolarHBondContact O-CB 3.14Å; L178-L181 PolarHBondContact O-N 2.81Å; L181-K190 HydrophobicContact CB-CB 4.5Å; L181-K190 WeakPolarHBondContact O-CD 3.22Å; L181-K190 WeakPolarHBondContact O-CE 3.42Å; L181-K190 PolarHBondContact O-NZ 3.27Å; L181-P192 HydrophobicContact CD1-CB 3.95Å
182	R	84.6	Confident	89	Confident	47 Å²	47	56.6 Å²	56.6	18%	0.177	30%	0.298	C	S	.	.	S	Bend	trans	-108	135.3	-176.4	-68.4	177.7	178.6	155.3	2.5	111.3	R113 N180 E186 S188	R113-R182 WeakPolarHBondContact O-CD 3.21Å; N180-R182 PolarHBondContact O-N 2.63Å; R182-E186 HydrophobicContact CB-CB 4.36Å; R182-S188 PolarHBondContact NE-O 3.48Å
183	K	80.4	Confident	88.9	Confident	157 Å²	157	58.5 Å²	58.5	68%	0.683	31%	0.312	S	S	*	.			trans	-71.6	153.4	159.8	-65.2	-177.3	-179.2	-179.8	0	109.5	G185 E186	K183-G185 PolarHBondContact O-N 2.99Å; K183-E186 HydrophobicContact CB-CB 4.45Å; K183-E186 PolarHBondContact N-OE2 3.02Å; K183-E186 VanDerWaalsContact O-CB 3.26Å; K183-E186 WeakPolarHBondContact O-CB 3.4Å; K183-E186 PolarHBondContact O-N 3.21Å
184	P	73.1	Confident	88.8	Confident	112 Å²	112	55.5 Å²	55.5	73%	0.727	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	127	173.7	-25.9	35	0	0	0	111.4
185	G	69.5	Low	88.7	Confident	66 Å²	66	57.4 Å²	57.4	68%	0.68	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.9	-10.1	-177.4	0	0	0	0	0	115.7	K183	K183-G185 PolarHBondContact O-N 2.99Å
186	E	77.1	Confident	88.8	Confident	50 Å²	50	59 Å²	59	23%	0.234	33%	0.334	C	S	.	.			trans	-75.7	132.5	179.1	-166.5	178.1	-177.4	0	0	111.7	R182 K183 S188 K190	R182-E186 HydrophobicContact CB-CB 4.36Å; K183-E186 HydrophobicContact CB-CB 4.45Å; K183-E186 PolarHBondContact N-OE2 3.02Å; K183-E186 VanDerWaalsContact O-CB 3.26Å; K183-E186 WeakPolarHBondContact O-CB 3.4Å; K183-E186 PolarHBondContact O-N 3.21Å; E186-S188 PolarHBondContact OE1-OG 3.46Å; E186-K190 WeakPolarHBondContact OE1-CE 3.45Å; E186-K190 IonicContact OE1-NZ 2.98Å; E186-K190 PolarHBondContact OE1-NZ 3.14Å; E186-K190 IonicContact OE2-NZ 3Å; E186-K190 PolarHBondContact OE2-NZ 3.38Å
187	I	72.4	Confident	88.8	Confident	106 Å²	106	54.2 Å²	54.2	54%	0.544	31%	0.312	S	S	.	.			trans	-105.8	-13	179.8	-52.8	173.4	0	0	0	111.6	K116	K116-I187 HydrophobicContact CG-CG2 4.45Å
188	S	83.6	Confident	88.9	Confident	53 Å²	53	57.2 Å²	57.2	37%	0.371	33%	0.325	S	S	.	.			trans	-60.7	151.6	179.9	85.7	0	0	0	0	111.2	R182 E186	R182-S188 PolarHBondContact NE-O 3.48Å; E186-S188 PolarHBondContact OE1-OG 3.46Å
189	Y	89.3	Confident	89	Confident	48 Å²	48	60.1 Å²	60.1	19%	0.188	33%	0.334	C	S	.	.			trans	-101.6	145.7	171.5	-73	-86.7	0	0	0	108.7	R46 W245 F250	R46-Y189 VanDerWaalsContact CA-OH 3.25Å; R46-Y189 WeakPolarHBondContact CA-OH 3.07Å; R46-Y189 HydrophobicContact CB-CE1 4.07Å; R46-Y189 HydrophobicContact CB-CE2 4.28Å; R46-Y189 WeakPolarHBondContact CB-OH 3.32Å; R46-Y189 PolarHBondContact N-OH 3.41Å; Y189-W245 VanDerWaalsContact CB-CH2 3.5Å; Y189-W245 HydrophobicContact CD1-CH2 4.06Å; Y189-W245 HydrophobicContact CD1-CZ3 4.38Å; Y189-W245 AromaticContact CD2-CH2 3.75Å; Y189-W245 HydrophobicContact CD2-CH2 3.75Å; Y189-W245 HydrophobicContact CD2-CZ2 4.07Å; Y189-W245 AromaticContact CG-CH2 3.49Å; Y189-W245 HydrophobicContact CG-CH2 3.49Å; Y189-W245 VanDerWaalsContact CG-CH2 3.49Å; Y189-W245 HydrophobicContact CG-CZ2 4.26Å; Y189-W245 HydrophobicContact CG-CZ3 4.18Å; Y189-F250 WeakPolarHBondContact O-CZ 3.38Å
190	K	92.8	Very high	89.4	Confident	78 Å²	78	59 Å²	59	34%	0.339	33%	0.33	S	S	.	.			trans	-129.8	160.8	175.3	-60.9	179.2	-169.3	153.4	0	109.4	L181 E186 P192	L181-K190 HydrophobicContact CB-CB 4.5Å; L181-K190 WeakPolarHBondContact O-CD 3.22Å; L181-K190 WeakPolarHBondContact O-CE 3.42Å; L181-K190 PolarHBondContact O-NZ 3.27Å; E186-K190 WeakPolarHBondContact OE1-CE 3.45Å; E186-K190 IonicContact OE1-NZ 2.98Å; E186-K190 PolarHBondContact OE1-NZ 3.14Å; E186-K190 IonicContact OE2-NZ 3Å; E186-K190 PolarHBondContact OE2-NZ 3.38Å; K190-P192 WeakPolarHBondContact O-CD 3.46Å
191	I	96.1	Very high	89.6	Confident	29 Å²	29	56 Å²	56	15%	0.149	31%	0.314	C	S	.	.			trans	-72.9	121.1	173	-58.5	175.8	0	0	0	107.9	F250 D252 Y253	I191-F250 HydrophobicContact CD1-CB 3.89Å; I191-F250 HydrophobicContact CD1-CD1 4.18Å; I191-F250 HydrophobicContact CD1-CG 4.01Å; I191-F250 HydrophobicContact CG1-CB 4.18Å; I191-F250 HydrophobicContact CG1-CD1 3.93Å; I191-F250 HydrophobicContact CG1-CD2 4.01Å; I191-F250 HydrophobicContact CG1-CE1 4.3Å; I191-F250 HydrophobicContact CG1-CE2 4.36Å; I191-F250 HydrophobicContact CG1-CG 3.78Å; I191-D252 WeakPolarHBondContact CD1-OD1 3.49Å; I191-Y253 HydrophobicContact CD1-CD2 4.15Å; I191-Y253 HydrophobicContact CG1-CD2 4.07Å; I191-Y253 HydrophobicContact CG2-CD2 3.95Å; I191-Y253 HydrophobicContact CG2-CE2 3.95Å
192	P	96.2	Very high	90	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.305	C	S	.	.			trans	-68.6	137.3	172.9	26.9	-32	0	0	0	110.7	I177 L178 L181 K190 F197 R257	I177-P192 HydrophobicContact CG2-CB 4.43Å; L178-P192 HydrophobicContact CD2-CB 4.07Å; L178-P192 HydrophobicContact CD2-CG 4.39Å; L181-P192 HydrophobicContact CD1-CB 3.95Å; K190-P192 WeakPolarHBondContact O-CD 3.46Å; P192-F197 HydrophobicContact CB-CB 4.11Å; P192-F197 HydrophobicContact CB-CD1 3.7Å; P192-F197 HydrophobicContact CB-CD2 3.84Å; P192-F197 HydrophobicContact CB-CE1 4.01Å; P192-F197 HydrophobicContact CB-CE2 4.13Å; P192-F197 HydrophobicContact CB-CG 3.62Å; P192-F197 HydrophobicContact CB-CZ 4.23Å; P192-F197 HydrophobicContact CG-CB 4.4Å; P192-F197 HydrophobicContact CG-CD1 3.54Å; P192-F197 HydrophobicContact CG-CE1 3.86Å; P192-F197 HydrophobicContact CG-CG 3.95Å; P192-R257 PolarHBondContact O-NH1 3.43Å; P192-R257 PolarHBondContact O-NH2 3.3Å
193	T	95.9	Very high	90.6	Very high	85 Å²	85	52 Å²	52	52%	0.521	30%	0.296	S	S	.	.			trans	-132.4	157.8	173.8	56.3	0	0	0	0	109.6	I177 E198	I177-T193 WeakPolarHBondContact CG2-O 3.34Å; T193-E198 WeakPolarHBondContact CA-OE1 3.32Å; T193-E198 WeakPolarHBondContact CB-OE1 3.4Å
194	G	95.9	Very high	91.5	Very high	29 Å²	29	45.2 Å²	45.2	30%	0.299	27%	0.267	S	S	.	.	S	Bend	trans	92.4	153.2	-175.4	0	0	0	0	0	114.1	I177 F197 E198	I177-G194 WeakPolarHBondContact CD1-O 3.38Å; G194-F197 WeakPolarHBondContact O-CB 3.23Å; G194-F197 PolarHBondContact O-N 3.3Å; G194-E198 PolarHBondContact N-OE1 2.89Å
195	G	96.9	Very high	92.7	Very high	41 Å²	41	40.5 Å²	40.5	42%	0.423	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	56.9	-138.4	178.1	0	0	0	0	0	112.6	F197 E198	G195-F197 PolarHBondContact O-N 2.88Å; G195-E198 PolarHBondContact O-N 3.32Å
196	L	97.4	Very high	94.1	Very high	38 Å²	38	40 Å²	40	20%	0.199	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-72.6	-12.8	-177.4	-159.3	70.6	0	0	0	113.1	V170 E198 Y199 V200 A203 F206 P262	V170-L196 HydrophobicContact CG1-CD2 3.85Å; L196-E198 PolarHBondContact O-N 3.37Å; L196-Y199 HydrophobicContact CD1-CD2 4.08Å; L196-Y199 PolarHBondContact O-N 3.35Å; L196-V200 HydrophobicContact CD2-CG2 4.22Å; L196-V200 HydrophobicContact CG-CG2 4.06Å; L196-V200 PolarHBondContact O-N 3.43Å; L196-V200 VanDerWaalsContact O-N 3.12Å; L196-A203 HydrophobicContact CB-CB 3.94Å; L196-A203 HydrophobicContact CD2-CB 4.42Å; L196-A203 HydrophobicContact CG-CB 4.44Å; L196-F206 HydrophobicContact CD2-CB 4.39Å; L196-F206 HydrophobicContact CD2-CD1 3.4Å; L196-F206 VanDerWaalsContact CD2-CD1 3.4Å; L196-F206 HydrophobicContact CD2-CE1 3.95Å; L196-F206 HydrophobicContact CD2-CG 4.09Å; L196-P262 HydrophobicContact CD1-CG 4.22Å
197	F	98.2	Very high	95.1	Very high	1 Å²	1	37.6 Å²	37.6	0%	0.004	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-64.4	-18.1	174.7	-74.6	-68.1	0	0	0	113.3	S174 I177 L178 P192 G194 G195 Y199 V200 S201 A203 R257	S174-F197 WeakPolarHBondContact O-CE2 3.31Å; I177-F197 HydrophobicContact CB-CD2 4.24Å; I177-F197 HydrophobicContact CB-CE2 4.05Å; I177-F197 HydrophobicContact CD1-CD2 4.05Å; I177-F197 HydrophobicContact CD1-CE2 4.47Å; I177-F197 HydrophobicContact CG2-CD2 3.9Å; I177-F197 HydrophobicContact CG2-CE2 4.01Å; L178-F197 HydrophobicContact CD1-CZ 3.84Å; L178-F197 HydrophobicContact CD2-CE1 4.2Å; L178-F197 HydrophobicContact CD2-CE2 4.25Å; L178-F197 HydrophobicContact CD2-CZ 3.67Å; L178-F197 HydrophobicContact CG-CE2 4Å; L178-F197 HydrophobicContact CG-CZ 3.56Å; P192-F197 HydrophobicContact CB-CB 4.11Å; P192-F197 HydrophobicContact CB-CD1 3.7Å; P192-F197 HydrophobicContact CB-CD2 3.84Å; P192-F197 HydrophobicContact CB-CE1 4.01Å; P192-F197 HydrophobicContact CB-CE2 4.13Å; P192-F197 HydrophobicContact CB-CG 3.62Å; P192-F197 HydrophobicContact CB-CZ 4.23Å; P192-F197 HydrophobicContact CG-CB 4.4Å; P192-F197 HydrophobicContact CG-CD1 3.54Å; P192-F197 HydrophobicContact CG-CE1 3.86Å; P192-F197 HydrophobicContact CG-CG 3.95Å; G194-F197 WeakPolarHBondContact O-CB 3.23Å; G194-F197 PolarHBondContact O-N 3.3Å; G195-F197 PolarHBondContact O-N 2.88Å; F197-Y199 PolarHBondContact O-N 3.03Å; F197-V200 WeakPolarHBondContact CA-O 3.4Å; F197-S201 WeakPolarHBondContact CE1-O 3.43Å; F197-A203 HydrophobicContact CD1-CB 3.65Å; F197-A203 HydrophobicContact CD2-CB 4.09Å; F197-A203 HydrophobicContact CE1-CB 3.62Å; F197-A203 HydrophobicContact CE2-CB 4.05Å; F197-A203 HydrophobicContact CG-CB 3.88Å; F197-A203 HydrophobicContact CZ-CB 3.81Å; F197-R257 VanDerWaalsContact O-CD 3.29Å; F197-R257 WeakPolarHBondContact O-CD 3.4Å; F197-R257 PolarHBondContact O-NE 3.45Å; F197-R257 PolarHBondContact O-NH1 2.93Å; F197-R257 PolarHBondContact O-NH2 3.22Å
198	E	97.4	Very high	96.3	Very high	86 Å²	86	33.8 Å²	33.8	40%	0.402	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-65.3	-22	172.9	-62.5	-49.8	147.2	0	0	113.4	T193 G194 G195 L196 R257	T193-E198 WeakPolarHBondContact CA-OE1 3.32Å; T193-E198 WeakPolarHBondContact CB-OE1 3.4Å; G194-E198 PolarHBondContact N-OE1 2.89Å; G195-E198 PolarHBondContact O-N 3.32Å; L196-E198 PolarHBondContact O-N 3.37Å; E198-R257 IonicContact OE1-NH2 3.67Å; E198-R257 IonicContact OE2-NH2 3.05Å; E198-R257 PolarHBondContact OE2-NH2 2.9Å
199	Y	97.9	Very high	97.1	Very high	109 Å²	109	32.3 Å²	32.3	43%	0.427	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-35.4	-178.1	-53	-78.9	0	0	0	112.7	L196 F197 R257 K258 F263	L196-Y199 HydrophobicContact CD1-CD2 4.08Å; L196-Y199 PolarHBondContact O-N 3.35Å; F197-Y199 PolarHBondContact O-N 3.03Å; Y199-R257 CarbonylContact O-C 3.59Å; Y199-R257 WeakPolarHBondContact O-CA 3.39Å; Y199-K258 PolarHBondContact O-N 3.3Å; Y199-F263 AromaticContact CD1-CE1 3.71Å; Y199-F263 HydrophobicContact CD1-CE1 3.71Å; Y199-F263 HydrophobicContact CD1-CE2 4.2Å; Y199-F263 AromaticContact CD1-CZ 3.36Å; Y199-F263 HydrophobicContact CD1-CZ 3.36Å; Y199-F263 HydrophobicContact CE1-CE1 4.05Å; Y199-F263 HydrophobicContact CE1-CE2 4.5Å; Y199-F263 AromaticContact CE1-CZ 3.52Å; Y199-F263 HydrophobicContact CE1-CZ 3.52Å; Y199-F263 HydrophobicContact CG-CZ 4.37Å
200	V	98.4	Very high	97.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-137.6	149	-172.1	-58	0	0	0	0	113.5	L196 F197 A203 K258 L260 P262	L196-V200 HydrophobicContact CD2-CG2 4.22Å; L196-V200 HydrophobicContact CG-CG2 4.06Å; L196-V200 PolarHBondContact O-N 3.43Å; L196-V200 VanDerWaalsContact O-N 3.12Å; F197-V200 WeakPolarHBondContact CA-O 3.4Å; V200-A203 HydrophobicContact CG2-CB 4.03Å; V200-K258 CarbonylContact C-O 3.55Å; V200-K258 WeakPolarHBondContact CA-O 3.49Å; V200-K258 HydrophobicContact CG1-CB 4.29Å; V200-L260 WeakPolarHBondContact CG1-O 3.31Å; V200-P262 HydrophobicContact CG1-CB 4.31Å; V200-P262 HydrophobicContact CG1-CG 3.87Å
201	S	98.1	Very high	97.8	Very high	4 Å²	4	27.5 Å²	27.5	3%	0.028	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-35.1	176.3	-58	0	0	0	0	113.6	F197 H243 Y253 K258 A259	F197-S201 WeakPolarHBondContact CE1-O 3.43Å; S201-H243 PolarHBondContact OG-ND1 3.07Å; S201-Y253 WeakPolarHBondContact CB-OH 3.47Å; S201-Y253 PolarHBondContact OG-OH 3.12Å; S201-K258 PolarHBondContact N-O 3.48Å; S201-K258 PolarHBondContact OG-O 3.11Å; S201-A259 PolarHBondContact N-O 3.15Å
202	G	97.8	Very high	98	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	46.6	-176	0	0	0	0	0	113	N204 F205 F206 A259	G202-N204 VanDerWaalsContact C-N 3.33Å; G202-N204 PolarHBondContact O-N 2.96Å; G202-F205 WeakPolarHBondContact O-CA 3.45Å; G202-F205 WeakPolarHBondContact O-CB 3.29Å; G202-F205 PolarHBondContact O-N 3.49Å; G202-F206 PolarHBondContact O-N 2.95Å; G202-A259 PolarHBondContact N-O 3.07Å
203	A	98.4	Very high	98.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.3	-41	-174.5	0	0	0	0	0	113.9	S174 L196 F197 V200 F205 F206 G207	S174-A203 WeakPolarHBondContact OG-CB 3.49Å; L196-A203 HydrophobicContact CB-CB 3.94Å; L196-A203 HydrophobicContact CD2-CB 4.42Å; L196-A203 HydrophobicContact CG-CB 4.44Å; F197-A203 HydrophobicContact CD1-CB 3.65Å; F197-A203 HydrophobicContact CD2-CB 4.09Å; F197-A203 HydrophobicContact CE1-CB 3.62Å; F197-A203 HydrophobicContact CE2-CB 4.05Å; F197-A203 HydrophobicContact CG-CB 3.88Å; F197-A203 HydrophobicContact CZ-CB 3.81Å; V200-A203 HydrophobicContact CG2-CB 4.03Å; A203-F205 VanDerWaalsContact C-N 3.35Å; A203-F206 PolarHBondContact O-N 3.45Å; A203-G207 PolarHBondContact O-N 3Å; A203-G207 VanDerWaalsContact O-N 3.08Å
204	N	98.3	Very high	98.2	Very high	14 Å²	14	24.5 Å²	24.5	8%	0.075	14%	0.14	C	C	.	.	H	α-helix	trans	-65.8	-38.9	175.7	61.2	-31.2	0	0	0	112	N171 D175 G202 G207 E208	N171-N204 PolarHBondContact ND2-O 3.4Å; D175-N204 WeakPolarHBondContact OD1-CB 3.42Å; D175-N204 PolarHBondContact OD1-ND2 3.12Å; G202-N204 VanDerWaalsContact C-N 3.33Å; G202-N204 PolarHBondContact O-N 2.96Å; N204-G207 PolarHBondContact O-N 3.37Å; N204-E208 PolarHBondContact O-N 3.44Å
205	F	98.5	Very high	98.4	Very high	13 Å²	13	23.1 Å²	23.1	6%	0.057	13%	0.126	C	C	.	.	H	α-helix	trans	-65.8	-41.7	175.5	-56.9	-31.2	0	0	0	112.2	G202 A203 G207 E208 I209 L235 R238 A239 H242 L260	G202-F205 WeakPolarHBondContact O-CA 3.45Å; G202-F205 WeakPolarHBondContact O-CB 3.29Å; G202-F205 PolarHBondContact O-N 3.49Å; A203-F205 VanDerWaalsContact C-N 3.35Å; F205-G207 VanDerWaalsContact C-N 3.31Å; F205-G207 PolarHBondContact O-N 3.11Å; F205-E208 PolarHBondContact O-N 3.49Å; F205-I209 WeakPolarHBondContact O-CB 3.3Å; F205-I209 WeakPolarHBondContact O-CG1 3.38Å; F205-I209 PolarHBondContact O-N 3.17Å; F205-L235 HydrophobicContact CB-CB 4.08Å; F205-L235 HydrophobicContact CD1-CB 4.5Å; F205-L235 HydrophobicContact CD1-CD1 4.42Å; F205-L235 HydrophobicContact CD1-CD2 3.9Å; F205-L235 HydrophobicContact CE1-CD2 4.28Å; F205-L235 HydrophobicContact CG-CB 4.36Å; F205-R238 HydrophobicContact CE2-CB 4.14Å; F205-R238 HydrophobicContact CE2-CG 3.72Å; F205-R238 HydrophobicContact CZ-CB 4.49Å; F205-R238 HydrophobicContact CZ-CG 3.79Å; F205-A239 HydrophobicContact CD2-CB 3.86Å; F205-H242 AromaticContact CE2-CD2 3.42Å; F205-H242 VanDerWaalsContact CE2-CD2 3.42Å; F205-H242 WeakPolarHBondContact CE2-CD2 3.34Å; F205-H242 AromaticContact CE2-NE2 3.89Å; F205-H242 AromaticContact CZ-CD2 3.76Å; F205-H242 AromaticContact CZ-NE2 3.77Å; F205-L260 HydrophobicContact CB-CD1 4.04Å
206	F	98.7	Very high	98.5	Very high	56 Å²	56	21.9 Å²	21.9	25%	0.246	11%	0.112	C	C	.	.	H	α-helix	trans	-58.3	-45.2	173.7	175.3	-92.6	0	0	0	111.3	V170 L196 G202 A203 T210 L260	V170-F206 HydrophobicContact CG1-CD1 4.41Å; L196-F206 HydrophobicContact CD2-CB 4.39Å; L196-F206 HydrophobicContact CD2-CD1 3.4Å; L196-F206 VanDerWaalsContact CD2-CD1 3.4Å; L196-F206 HydrophobicContact CD2-CE1 3.95Å; L196-F206 HydrophobicContact CD2-CG 4.09Å; G202-F206 PolarHBondContact O-N 2.95Å; A203-F206 PolarHBondContact O-N 3.45Å; F206-T210 WeakPolarHBondContact O-CB 3.24Å; F206-T210 PolarHBondContact O-N 3.26Å; F206-T210 PolarHBondContact O-OG1 3.02Å; F206-L260 HydrophobicContact CB-CD1 3.98Å; F206-L260 VanDerWaalsContact CD2-O 3.27Å; F206-L260 WeakPolarHBondContact CD2-O 3.45Å
207	G	98.7	Very high	98.5	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-57	-50.7	175.3	0	0	0	0	0	112.3	G167 A203 N204 F205 I209 T210 E211	G167-G207 CarbonylContact C-O 3.28Å; G167-G207 VanDerWaalsContact C-O 3.25Å; G167-G207 WeakPolarHBondContact CA-O 3.3Å; G167-G207 CarbonylContact O-C 3.58Å; G167-G207 VanDerWaalsContact O-C 3.28Å; G167-G207 VanDerWaalsContact O-CA 3.25Å; G167-G207 WeakPolarHBondContact O-CA 3.4Å; A203-G207 PolarHBondContact O-N 3Å; A203-G207 VanDerWaalsContact O-N 3.08Å; N204-G207 PolarHBondContact O-N 3.37Å; F205-G207 VanDerWaalsContact C-N 3.31Å; F205-G207 PolarHBondContact O-N 3.11Å; G207-I209 PolarHBondContact O-N 2.89Å; G207-T210 WeakPolarHBondContact O-CB 3.31Å; G207-T210 PolarHBondContact O-N 2.92Å; G207-E211 WeakPolarHBondContact O-CB 3.21Å; G207-E211 PolarHBondContact O-N 3.32Å
208	E	98.8	Very high	98.5	Very high	25 Å²	25	23 Å²	23	12%	0.117	12%	0.118	C	C	.	.	H	α-helix	trans	-68	-37	-177.3	-161.5	153.4	-154.6	0	0	113.1	H100 R104 N171 N204 F205 E211 W212 L235	H100-E208 IonicContact CE1-OE1 3.58Å; H100-E208 IonicContact NE2-OE1 3.41Å; R104-E208 IonicContact CZ-OE1 3.08Å; R104-E208 IonicContact NE-OE1 3.87Å; R104-E208 VanDerWaalsContact NH2-CD 3.31Å; R104-E208 IonicContact NH2-OE1 3.52Å; R104-E208 PolarHBondContact NH2-OE1 3.46Å; R104-E208 IonicContact NH2-OE2 3.43Å; R104-E208 PolarHBondContact NH2-OE2 2.96Å; N171-E208 PolarHBondContact ND2-OE2 3.46Å; N204-E208 PolarHBondContact O-N 3.44Å; F205-E208 PolarHBondContact O-N 3.49Å; E208-E211 WeakPolarHBondContact O-CB 3.37Å; E208-E211 PolarHBondContact O-N 2.98Å; E208-W212 PolarHBondContact O-N 3.2Å; E208-L235 HydrophobicContact CB-CD1 3.74Å; E208-L235 HydrophobicContact CG-CD1 3.8Å
209	I	98.8	Very high	98.6	Very high	23 Å²	23	18.9 Å²	18.9	12%	0.118	10%	0.099	C	C	.	.	H	α-helix	trans	-62.9	-45.9	172.8	-69.5	168.2	0	0	0	110.3	F205 G207 E211 W212 A213 T231 L232 L235 A236 L260	F205-I209 WeakPolarHBondContact O-CB 3.3Å; F205-I209 WeakPolarHBondContact O-CG1 3.38Å; F205-I209 PolarHBondContact O-N 3.17Å; G207-I209 PolarHBondContact O-N 2.89Å; I209-E211 VanDerWaalsContact C-N 3.27Å; I209-E211 PolarHBondContact O-N 2.85Å; I209-W212 PolarHBondContact O-N 3.35Å; I209-A213 VanDerWaalsContact O-CB 3.24Å; I209-A213 WeakPolarHBondContact O-CB 3.49Å; I209-A213 PolarHBondContact O-N 3.34Å; I209-T231 HydrophobicContact CG1-CG2 4.42Å; I209-L232 HydrophobicContact CD1-CD1 4.1Å; I209-L232 HydrophobicContact CG2-CB 4.44Å; I209-L232 HydrophobicContact CG2-CD1 3.76Å; I209-L235 HydrophobicContact CD1-CB 3.85Å; I209-L235 HydrophobicContact CG1-CB 3.96Å; I209-L235 HydrophobicContact CG1-CD1 4.23Å; I209-A236 HydrophobicContact CD1-CB 4.44Å; I209-L260 HydrophobicContact CD1-CD1 4Å; I209-L260 HydrophobicContact CD1-CD2 3.83Å; I209-L260 HydrophobicContact CD1-CG 4.49Å
210	T	98.9	Very high	98.6	Very high	24 Å²	24	19.7 Å²	19.7	15%	0.147	11%	0.106	C	C	.	.	H	α-helix	trans	-62.7	-39.3	177.6	-55.5	0	0	0	0	110.9	L163 F206 G207 G214	L163-T210 HydrophobicContact CB-CG2 4.47Å; L163-T210 HydrophobicContact CD2-CG2 4.12Å; F206-T210 WeakPolarHBondContact O-CB 3.24Å; F206-T210 PolarHBondContact O-N 3.26Å; F206-T210 PolarHBondContact O-OG1 3.02Å; G207-T210 WeakPolarHBondContact O-CB 3.31Å; G207-T210 PolarHBondContact O-N 2.92Å; T210-G214 PolarHBondContact O-N 3.03Å
211	E	98.9	Very high	98.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-58.7	-55.2	178.7	-177.1	-178.6	172.6	0	0	111.3	H100 W164 W168 G207 E208 I209 G214 F215	H100-E211 WeakPolarHBondContact CB-OE1 3.44Å; H100-E211 IonicContact CE1-OE1 2.67Å; H100-E211 IonicContact CE1-OE2 3.82Å; H100-E211 IonicContact CG-OE1 2.81Å; H100-E211 IonicContact ND1-OE1 3.97Å; H100-E211 PolarHBondContact ND1-OE1 3.22Å; H100-E211 IonicContact ND1-OE2 3.87Å; H100-E211 PolarHBondContact ND1-OE2 3.16Å; H100-E211 VanDerWaalsContact ND1-OE2 3.14Å; W164-E211 HydrophobicContact CG-CG 4.07Å; W164-E211 PolarHBondContact NE1-OE1 2.57Å; W164-E211 VanDerWaalsContact NE1-OE1 3.08Å; W168-E211 HydrophobicContact CB-CG 4.07Å; G207-E211 WeakPolarHBondContact O-CB 3.21Å; G207-E211 PolarHBondContact O-N 3.32Å; E208-E211 WeakPolarHBondContact O-CB 3.37Å; E208-E211 PolarHBondContact O-N 2.98Å; I209-E211 VanDerWaalsContact C-N 3.27Å; I209-E211 PolarHBondContact O-N 2.85Å; E211-G214 PolarHBondContact O-N 3.27Å; E211-F215 PolarHBondContact O-N 2.98Å
212	W	98.9	Very high	98.6	Very high	3 Å²	3	22 Å²	22	1%	0.011	12%	0.12	C	C	.	.	H	α-helix	trans	-74.8	-28.5	-176.7	-68.1	113.7	0	0	0	113.2	Y97 H100 Y101 E208 I209 F215 A216 F227 A228	Y97-W212 HydrophobicContact CD2-CH2 4.09Å; Y97-W212 HydrophobicContact CD2-CZ3 4.25Å; Y97-W212 HydrophobicContact CE2-CH2 4.44Å; H100-W212 HydrophobicContact CB-CH2 4.26Å; H100-W212 HydrophobicContact CB-CZ2 4.19Å; H100-W212 AromaticContact CD2-CZ2 3.54Å; H100-W212 AromaticContact CE1-CZ2 3.77Å; H100-W212 AromaticContact CE1-NE1 3.74Å; H100-W212 AromaticContact CG-CZ2 3.54Å; H100-W212 AromaticContact ND1-CZ2 3.69Å; H100-W212 AromaticContact NE2-CZ2 3.71Å; Y101-W212 AromaticContact CE2-CH2 3.91Å; Y101-W212 HydrophobicContact CE2-CH2 3.91Å; Y101-W212 HydrophobicContact CE2-CZ2 4.03Å; E208-W212 PolarHBondContact O-N 3.2Å; I209-W212 PolarHBondContact O-N 3.35Å; W212-F215 HydrophobicContact CE3-CB 3.85Å; W212-F215 HydrophobicContact CE3-CD1 4.03Å; W212-F215 AromaticContact CE3-CG 3.9Å; W212-F215 HydrophobicContact CE3-CG 3.9Å; W212-F215 HydrophobicContact CZ3-CB 4.31Å; W212-F215 HydrophobicContact CZ3-CD1 4.04Å; W212-F215 HydrophobicContact CZ3-CD2 4.19Å; W212-F215 HydrophobicContact CZ3-CE1 4.41Å; W212-F215 AromaticContact CZ3-CG 3.92Å; W212-F215 HydrophobicContact CZ3-CG 3.92Å; W212-F215 PolarHBondContact O-N 3.33Å; W212-A216 WeakPolarHBondContact O-CB 3.45Å; W212-A216 PolarHBondContact O-N 2.83Å; W212-F227 AromaticContact CD2-CD1 3.88Å; W212-F227 HydrophobicContact CD2-CD1 3.88Å; W212-F227 AromaticContact CD2-CE1 3.35Å; W212-F227 HydrophobicContact CD2-CE1 3.35Å; W212-F227 HydrophobicContact CD2-CZ 4.04Å; W212-F227 AromaticContact CE2-CE1 3.35Å; W212-F227 AromaticContact CE2-CZ 3.72Å; W212-F227 AromaticContact CE3-CD1 3.71Å; W212-F227 HydrophobicContact CE3-CD1 3.71Å; W212-F227 AromaticContact CE3-CE1 3.48Å; W212-F227 HydrophobicContact CE3-CE1 3.48Å; W212-F227 VanDerWaalsContact CE3-CE1 3.48Å; W212-F227 HydrophobicContact CG-CD1 4.46Å; W212-F227 HydrophobicContact CG-CE1 4.07Å; W212-F227 HydrophobicContact CG-CZ 4.45Å; W212-F227 HydrophobicContact CH2-CD1 4.46Å; W212-F227 AromaticContact CH2-CE1 3.64Å; W212-F227 HydrophobicContact CH2-CE1 3.64Å; W212-F227 AromaticContact CZ2-CE1 3.48Å; W212-F227 HydrophobicContact CZ2-CE1 3.48Å; W212-F227 VanDerWaalsContact CZ2-CE1 3.48Å; W212-F227 AromaticContact CZ2-CZ 3.97Å; W212-F227 HydrophobicContact CZ2-CZ 3.97Å; W212-F227 HydrophobicContact CZ3-CD1 4.03Å; W212-F227 AromaticContact CZ3-CE1 3.63Å; W212-F227 HydrophobicContact CZ3-CE1 3.63Å; W212-F227 AromaticContact NE1-CE1 4Å; W212-F227 AromaticContact NE1-CZ 3.93Å; W212-A228 HydrophobicContact CB-CB 4.37Å; W212-A228 WeakPolarHBondContact O-CB 3.44Å
213	A	98.9	Very high	98.7	Very high	48 Å²	48	22 Å²	22	40%	0.397	12%	0.12	S	C	.	.	H	α-helix	trans	-62.9	-43.1	168.1	0	0	0	0	0	111.4	I209 A216 L217	I209-A213 VanDerWaalsContact O-CB 3.24Å; I209-A213 WeakPolarHBondContact O-CB 3.49Å; I209-A213 PolarHBondContact O-N 3.34Å; A213-A216 PolarHBondContact O-N 3.35Å; A213-L217 WeakPolarHBondContact O-CB 3.15Å; A213-L217 PolarHBondContact O-N 3.06Å
214	G	98.9	Very high	98.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.4	-44.5	173.6	0	0	0	0	0	112.5	G160 T210 E211 A216 L217 A218	G160-G214 CarbonylContact C-O 3.58Å; G160-G214 VanDerWaalsContact C-O 3.3Å; G160-G214 WeakPolarHBondContact CA-O 3.48Å; G160-G214 CarbonylContact O-C 3.44Å; G160-G214 VanDerWaalsContact O-C 3.23Å; G160-G214 WeakPolarHBondContact O-CA 3.41Å; T210-G214 PolarHBondContact O-N 3.03Å; E211-G214 PolarHBondContact O-N 3.27Å; G214-A216 PolarHBondContact O-N 3.37Å; G214-L217 PolarHBondContact O-N 3.14Å; G214-A218 PolarHBondContact O-N 3.16Å
215	F	98.9	Very high	98.7	Very high	1 Å²	1	23.2 Å²	23.2	0%	0.004	13%	0.132	C	C	.	.	H	α-helix	trans	-58.2	-46.4	174.8	-172	-93.8	0	0	0	112.1	L93 M96 Y97 L141 E211 W212 L217 A218 A219	L93-F215 HydrophobicContact CB-CE2 4.42Å; L93-F215 HydrophobicContact CD2-CE2 4.3Å; L93-F215 WeakPolarHBondContact O-CE2 3.4Å; M96-F215 HydrophobicContact CB-CD2 4.15Å; M96-F215 HydrophobicContact CB-CE2 4.16Å; M96-F215 HydrophobicContact CE-CD2 4.36Å; Y97-F215 HydrophobicContact CD2-CZ 4.43Å; L141-F215 HydrophobicContact CD1-CE1 4.35Å; L141-F215 HydrophobicContact CD1-CZ 3.72Å; E211-F215 PolarHBondContact O-N 2.98Å; W212-F215 HydrophobicContact CE3-CB 3.85Å; W212-F215 HydrophobicContact CE3-CD1 4.03Å; W212-F215 AromaticContact CE3-CG 3.9Å; W212-F215 HydrophobicContact CE3-CG 3.9Å; W212-F215 HydrophobicContact CZ3-CB 4.31Å; W212-F215 HydrophobicContact CZ3-CD1 4.04Å; W212-F215 HydrophobicContact CZ3-CD2 4.19Å; W212-F215 HydrophobicContact CZ3-CE1 4.41Å; W212-F215 AromaticContact CZ3-CG 3.92Å; W212-F215 HydrophobicContact CZ3-CG 3.92Å; W212-F215 PolarHBondContact O-N 3.33Å; F215-L217 VanDerWaalsContact C-N 3.35Å; F215-L217 PolarHBondContact O-N 3.48Å; F215-A218 PolarHBondContact O-N 3.27Å; F215-A219 HydrophobicContact CD1-CB 4.45Å; F215-A219 HydrophobicContact CE1-CB 4.27Å; F215-A219 WeakPolarHBondContact O-CB 3.47Å; F215-A219 PolarHBondContact O-N 3.48Å
216	A	98.8	Very high	98.7	Very high	14 Å²	14	22.6 Å²	22.6	12%	0.116	13%	0.129	C	C	.	.	H	α-helix	trans	-64	-38.2	177.7	0	0	0	0	0	112.8	W212 A213 G214 H220 A228	W212-A216 WeakPolarHBondContact O-CB 3.45Å; W212-A216 PolarHBondContact O-N 2.83Å; A213-A216 PolarHBondContact O-N 3.35Å; G214-A216 PolarHBondContact O-N 3.37Å; A216-H220 WeakPolarHBondContact O-CA 3.44Å; A216-H220 PolarHBondContact O-N 3.09Å; A216-A228 HydrophobicContact CB-CB 3.82Å
217	L	98.8	Very high	98.7	Very high	62 Å²	62	20.3 Å²	20.3	33%	0.325	12%	0.119	S	C	.	.	H	α-helix	trans	-65.4	-40.5	175.9	-176.6	62.4	0	0	0	112	C156 T159 L163 A213 G214 F215	C156-L217 HydrophobicContact CB-CD1 4.27Å; C156-L217 HydrophobicContact CB-CG 4.45Å; T159-L217 HydrophobicContact CG2-CD2 3.99Å; L163-L217 HydrophobicContact CD1-CD2 4.22Å; A213-L217 WeakPolarHBondContact O-CB 3.15Å; A213-L217 PolarHBondContact O-N 3.06Å; G214-L217 PolarHBondContact O-N 3.14Å; F215-L217 VanDerWaalsContact C-N 3.35Å; F215-L217 PolarHBondContact O-N 3.48Å
218	A	98.7	Very high	98.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-74.4	-40.1	178.5	0	0	0	0	0	113	L93 W151 F157 G214 F215	L93-A218 HydrophobicContact CD2-CB 3.84Å; W151-A218 PolarHBondContact NE1-O 2.8Å; F157-A218 HydrophobicContact CD2-CB 4.05Å; F157-A218 HydrophobicContact CE2-CB 4.42Å; F157-A218 HydrophobicContact CG-CB 4.49Å; G214-A218 PolarHBondContact O-N 3.16Å; F215-A218 PolarHBondContact O-N 3.27Å
219	A	98.4	Very high	98.7	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.008	14%	0.137	C	C	.	.	H	α-helix	trans	-78.3	-25.1	-179.8	0	0	0	0	0	113.2	L93 Y147 F215 S221 S224	L93-A219 HydrophobicContact CD1-CB 3.96Å; L93-A219 HydrophobicContact CD2-CB 3.99Å; Y147-A219 VanDerWaalsContact CE1-O 3.3Å; Y147-A219 WeakPolarHBondContact CE1-O 3.48Å; Y147-A219 PolarHBondContact OH-O 2.99Å; F215-A219 HydrophobicContact CD1-CB 4.45Å; F215-A219 HydrophobicContact CE1-CB 4.27Å; F215-A219 WeakPolarHBondContact O-CB 3.47Å; F215-A219 PolarHBondContact O-N 3.48Å; A219-S221 VanDerWaalsContact C-N 3.31Å; A219-S221 PolarHBondContact O-N 3.42Å; A219-S224 WeakPolarHBondContact CB-OG 3.36Å
220	H	98.2	Very high	98.7	Very high	126 Å²	126	23.7 Å²	23.7	58%	0.583	14%	0.139	S	C	*	.			trans	48	48.6	173.3	-159.2	-85.8	0	0	0	113.8	W151 A216	W151-H220 HydrophobicContact CH2-CB 4.31Å; W151-H220 HydrophobicContact CZ2-CB 3.74Å; A216-H220 WeakPolarHBondContact O-CA 3.44Å; A216-H220 PolarHBondContact O-N 3.09Å
221	S	98.4	Very high	98.7	Very high	13 Å²	13	23 Å²	23	9%	0.091	13%	0.134	C	C	.	.	S	Bend	trans	-135	153.4	-177.1	71	0	0	0	0	112.2	Y140 A219 H223 S224 A225	Y140-S221 VanDerWaalsContact CE1-CB 3.43Å; A219-S221 VanDerWaalsContact C-N 3.31Å; A219-S221 PolarHBondContact O-N 3.42Å; S221-H223 PolarHBondContact O-N 3.32Å; S221-S224 PolarHBondContact N-OG 2.77Å; S221-S224 PolarHBondContact O-N 3.43Å; S221-S224 PolarHBondContact O-OG 3.31Å; S221-S224 WeakPolarHBondContact OG-CB 3.36Å; S221-S224 PolarHBondContact OG-N 3.38Å; S221-S224 PolarHBondContact OG-OG 2.67Å; S221-A225 WeakPolarHBondContact O-CB 3.23Å; S221-A225 PolarHBondContact O-N 2.82Å
222	V	98.6	Very high	98.7	Very high	38 Å²	38	26.8 Å²	26.8	23%	0.23	15%	0.154	C	C	.	.	H	α-helix	trans	-60.6	-36.7	175.5	67.4	0	0	0	0	111.8	A23 Y24 I27 A225 S226	A23-V222 HydrophobicContact CB-CG1 4.03Å; A23-V222 HydrophobicContact CB-CG2 4.15Å; Y24-V222 HydrophobicContact CD1-CG2 4.39Å; Y24-V222 HydrophobicContact CE1-CG2 3.91Å; I27-V222 HydrophobicContact CD1-CG2 4.37Å; V222-A225 PolarHBondContact O-N 3.05Å; V222-S226 VanDerWaalsContact O-CB 3.24Å; V222-S226 WeakPolarHBondContact O-CB 3.45Å; V222-S226 PolarHBondContact O-N 3.07Å; V222-S226 PolarHBondContact O-OG 3.4Å
223	H	98.6	Very high	98.6	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-56.2	-55.9	175.4	-53.5	90.6	0	0	0	111.2	L19 D20 M136 Q137 Y140 S221 S226 F227	L19-H223 WeakPolarHBondContact CB-NE2 3.29Å; L19-H223 PolarHBondContact O-CD2 2.67Å; L19-H223 PolarHBondContact O-NE2 2.81Å; D20-H223 PolarHBondContact N-NE2 3.42Å; D20-H223 IonicContact OD1-CE1 3.14Å; D20-H223 PolarHBondContact OD1-CE1 3.21Å; D20-H223 IonicContact OD1-NE2 3.78Å; D20-H223 PolarHBondContact OD1-NE2 2.68Å; M136-H223 HydrophobicContact CE-CB 4.33Å; M136-H223 HydrophobicContact CG-CB 4.37Å; Q137-H223 PolarHBondContact OE1-O 2.99Å; Q137-H223 VanDerWaalsContact OE1-O 3.06Å; Y140-H223 HydrophobicContact CD1-CB 4.41Å; Y140-H223 AromaticContact CD1-ND1 3.61Å; Y140-H223 AromaticContact CD2-CE1 3.23Å; Y140-H223 WeakPolarHBondContact CD2-CE1 3.45Å; Y140-H223 AromaticContact CD2-ND1 3.36Å; Y140-H223 WeakPolarHBondContact CD2-ND1 3.28Å; Y140-H223 AromaticContact CD2-NE2 3.93Å; Y140-H223 AromaticContact CE1-ND1 3.79Å; Y140-H223 AromaticContact CE2-CE1 3.44Å; Y140-H223 VanDerWaalsContact CE2-CE1 3.44Å; Y140-H223 WeakPolarHBondContact CE2-CE1 3.25Å; Y140-H223 AromaticContact CE2-ND1 3.55Å; Y140-H223 AromaticContact CG-CE1 3.72Å; Y140-H223 AromaticContact CG-CG 3.85Å; Y140-H223 AromaticContact CG-ND1 3.39Å; Y140-H223 AromaticContact CZ-ND1 3.75Å; S221-H223 PolarHBondContact O-N 3.32Å; H223-S226 PolarHBondContact O-N 3.48Å; H223-S226 PolarHBondContact O-OG 3.05Å; H223-F227 PolarHBondContact O-N 2.91Å
224	S	98.7	Very high	98.5	Very high	3 Å²	3	27 Å²	27	2%	0.021	15%	0.15	C	C	.	.	H	α-helix	trans	-66.9	-39.6	179.5	60.9	0	0	0	0	113.5	A219 S221 S226 F227 A228	A219-S224 WeakPolarHBondContact CB-OG 3.36Å; S221-S224 PolarHBondContact N-OG 2.77Å; S221-S224 PolarHBondContact O-N 3.43Å; S221-S224 PolarHBondContact O-OG 3.31Å; S221-S224 WeakPolarHBondContact OG-CB 3.36Å; S221-S224 PolarHBondContact OG-N 3.38Å; S221-S224 PolarHBondContact OG-OG 2.67Å; S224-S226 PolarHBondContact O-N 3.24Å; S224-F227 PolarHBondContact O-N 3.12Å; S224-A228 PolarHBondContact O-N 3.45Å
225	A	98.8	Very high	98.5	Very high	36 Å²	36	27.9 Å²	27.9	30%	0.298	15%	0.154	S	C	.	.	H	α-helix	trans	-62.5	-41.7	175.3	0	0	0	0	0	112.1	S221 V222 F227 A228 I229	S221-A225 WeakPolarHBondContact O-CB 3.23Å; S221-A225 PolarHBondContact O-N 2.82Å; V222-A225 PolarHBondContact O-N 3.05Å; A225-F227 VanDerWaalsContact C-N 3.31Å; A225-F227 PolarHBondContact O-N 3.01Å; A225-A228 PolarHBondContact O-N 3.25Å; A225-I229 VanDerWaalsContact O-CG1 3.28Å; A225-I229 WeakPolarHBondContact O-CG1 3.29Å; A225-I229 PolarHBondContact O-N 3.41Å
226	S	98.8	Very high	98.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60	-42	178.6	75.3	0	0	0	0	112.1	A23 M136 V222 H223 S224 I229 F230	A23-S226 VanDerWaalsContact O-CB 3.29Å; A23-S226 WeakPolarHBondContact O-CB 3.24Å; M136-S226 WeakPolarHBondContact CE-OG 3.39Å; V222-S226 VanDerWaalsContact O-CB 3.24Å; V222-S226 WeakPolarHBondContact O-CB 3.45Å; V222-S226 PolarHBondContact O-N 3.07Å; V222-S226 PolarHBondContact O-OG 3.4Å; H223-S226 PolarHBondContact O-N 3.48Å; H223-S226 PolarHBondContact O-OG 3.05Å; S224-S226 PolarHBondContact O-N 3.24Å; S226-I229 PolarHBondContact O-N 2.98Å; S226-F230 WeakPolarHBondContact O-CB 3.48Å; S226-F230 PolarHBondContact O-N 3.07Å
227	F	98.8	Very high	98.3	Very high	8 Å²	8	29.1 Å²	29.1	4%	0.035	16%	0.163	C	C	.	.	H	α-helix	trans	-69.2	-39.3	176.5	-178.7	-143	0	0	0	112.7	M26 F129 N133 W212 H223 S224 A225 F230 T231	M26-F227 WeakPolarHBondContact SD-CA 3.16Å; M26-F227 HydrophobicContact SD-CB 4.02Å; M26-F227 HydrophobicContact SD-CD2 4.41Å; F129-F227 HydrophobicContact CE1-CD2 4.38Å; F129-F227 AromaticContact CE1-CE2 3.83Å; F129-F227 HydrophobicContact CE1-CE2 3.83Å; F129-F227 AromaticContact CZ-CD2 3.81Å; F129-F227 HydrophobicContact CZ-CD2 3.81Å; F129-F227 AromaticContact CZ-CE2 3.7Å; F129-F227 HydrophobicContact CZ-CE2 3.7Å; N133-F227 WeakPolarHBondContact ND2-CD1 3.42Å; N133-F227 VanDerWaalsContact ND2-CE1 3.27Å; N133-F227 WeakPolarHBondContact ND2-CE1 3.28Å; N133-F227 WeakPolarHBondContact ND2-CE2 3.3Å; N133-F227 VanDerWaalsContact ND2-CZ 3.28Å; N133-F227 WeakPolarHBondContact ND2-CZ 3.5Å; N133-F227 WeakPolarHBondContact OD1-CG 3.26Å; W212-F227 AromaticContact CD2-CD1 3.88Å; W212-F227 HydrophobicContact CD2-CD1 3.88Å; W212-F227 AromaticContact CD2-CE1 3.35Å; W212-F227 HydrophobicContact CD2-CE1 3.35Å; W212-F227 HydrophobicContact CD2-CZ 4.04Å; W212-F227 AromaticContact CE2-CE1 3.35Å; W212-F227 AromaticContact CE2-CZ 3.72Å; W212-F227 AromaticContact CE3-CD1 3.71Å; W212-F227 HydrophobicContact CE3-CD1 3.71Å; W212-F227 AromaticContact CE3-CE1 3.48Å; W212-F227 HydrophobicContact CE3-CE1 3.48Å; W212-F227 VanDerWaalsContact CE3-CE1 3.48Å; W212-F227 HydrophobicContact CG-CD1 4.46Å; W212-F227 HydrophobicContact CG-CE1 4.07Å; W212-F227 HydrophobicContact CG-CZ 4.45Å; W212-F227 HydrophobicContact CH2-CD1 4.46Å; W212-F227 AromaticContact CH2-CE1 3.64Å; W212-F227 HydrophobicContact CH2-CE1 3.64Å; W212-F227 AromaticContact CZ2-CE1 3.48Å; W212-F227 HydrophobicContact CZ2-CE1 3.48Å; W212-F227 VanDerWaalsContact CZ2-CE1 3.48Å; W212-F227 AromaticContact CZ2-CZ 3.97Å; W212-F227 HydrophobicContact CZ2-CZ 3.97Å; W212-F227 HydrophobicContact CZ3-CD1 4.03Å; W212-F227 AromaticContact CZ3-CE1 3.63Å; W212-F227 HydrophobicContact CZ3-CE1 3.63Å; W212-F227 AromaticContact NE1-CE1 4Å; W212-F227 AromaticContact NE1-CZ 3.93Å; H223-F227 PolarHBondContact O-N 2.91Å; S224-F227 PolarHBondContact O-N 3.12Å; A225-F227 VanDerWaalsContact C-N 3.31Å; A225-F227 PolarHBondContact O-N 3.01Å; F227-F230 PolarHBondContact O-N 2.71Å; F227-T231 VanDerWaalsContact CE2-OG1 3.25Å; F227-T231 WeakPolarHBondContact CE2-OG1 3.02Å; F227-T231 VanDerWaalsContact O-CB 3.3Å; F227-T231 WeakPolarHBondContact O-CB 3.3Å; F227-T231 PolarHBondContact O-N 3.14Å; F227-T231 PolarHBondContact O-OG1 3.1Å
228	A	98.8	Very high	98.2	Very high	17 Å²	17	27.1 Å²	27.1	14%	0.14	15%	0.151	C	C	.	.	H	α-helix	trans	-62.2	-43	174.7	0	0	0	0	0	112	W212 A216 S224 A225 T231 L232	W212-A228 HydrophobicContact CB-CB 4.37Å; W212-A228 WeakPolarHBondContact O-CB 3.44Å; A216-A228 HydrophobicContact CB-CB 3.82Å; S224-A228 PolarHBondContact O-N 3.45Å; A225-A228 PolarHBondContact O-N 3.25Å; A228-T231 PolarHBondContact O-N 2.89Å; A228-L232 WeakPolarHBondContact O-CB 3.39Å; A228-L232 PolarHBondContact O-N 3.12Å
229	I	98.8	Very high	98.1	Very high	67 Å²	67	27.1 Å²	27.1	34%	0.344	15%	0.151	S	C	.	.	H	α-helix	trans	-63.8	-47.4	176.6	-69.2	164.5	0	0	0	110.9	A30 A225 S226 T231 L232 I233	A30-I229 HydrophobicContact CB-CG2 4.14Å; A225-I229 VanDerWaalsContact O-CG1 3.28Å; A225-I229 WeakPolarHBondContact O-CG1 3.29Å; A225-I229 PolarHBondContact O-N 3.41Å; S226-I229 PolarHBondContact O-N 2.98Å; I229-T231 VanDerWaalsContact C-N 3.33Å; I229-T231 PolarHBondContact O-N 2.78Å; I229-L232 PolarHBondContact O-N 3.4Å; I229-I233 HydrophobicContact CG2-CD1 4.01Å; I229-I233 PolarHBondContact O-N 2.89Å
230	F	98.5	Very high	98	Very high	35 Å²	35	31.6 Å²	31.6	15%	0.154	17%	0.171	C	C	.	.	H	α-helix	trans	-60.4	-45.3	178.6	-172.2	-92.2	0	0	0	111.4	M26 A30 F129 S226 F227 I233 V234	M26-F230 HydrophobicContact CG-CB 3.99Å; M26-F230 HydrophobicContact CG-CD2 4.13Å; M26-F230 HydrophobicContact CG-CG 4.14Å; M26-F230 HydrophobicContact SD-CB 3.96Å; M26-F230 HydrophobicContact SD-CG 4.42Å; A30-F230 HydrophobicContact CB-CB 4.19Å; A30-F230 HydrophobicContact CB-CD2 3.76Å; A30-F230 HydrophobicContact CB-CG 4.43Å; F129-F230 HydrophobicContact CD2-CE1 4.02Å; F129-F230 HydrophobicContact CD2-CZ 4.37Å; F129-F230 AromaticContact CE2-CD1 3.56Å; F129-F230 HydrophobicContact CE2-CD1 3.56Å; F129-F230 AromaticContact CE2-CE1 3.47Å; F129-F230 HydrophobicContact CE2-CE1 3.47Å; F129-F230 VanDerWaalsContact CE2-CE1 3.47Å; F129-F230 HydrophobicContact CE2-CG 4.24Å; F129-F230 HydrophobicContact CE2-CZ 4.1Å; F129-F230 AromaticContact CZ-CD1 3.67Å; F129-F230 HydrophobicContact CZ-CD1 3.67Å; F129-F230 AromaticContact CZ-CE1 3.83Å; F129-F230 HydrophobicContact CZ-CE1 3.83Å; S226-F230 WeakPolarHBondContact O-CB 3.48Å; S226-F230 PolarHBondContact O-N 3.07Å; F227-F230 PolarHBondContact O-N 2.71Å; F230-I233 PolarHBondContact O-N 2.97Å; F230-V234 HydrophobicContact CD1-CG2 4.2Å; F230-V234 HydrophobicContact CE1-CG2 3.81Å; F230-V234 HydrophobicContact CZ-CG2 3.98Å; F230-V234 WeakPolarHBondContact O-CG2 3.33Å; F230-V234 PolarHBondContact O-N 3.23Å; F230-V234 VanDerWaalsContact O-N 3.08Å
231	T	98.5	Very high	98	Very high	10 Å²	10	25.9 Å²	25.9	6%	0.061	15%	0.145	C	C	.	.	H	α-helix	trans	-59.9	-48.1	176	-62.4	0	0	0	0	111.9	I209 F227 A228 I229 I233 V234 L235	I209-T231 HydrophobicContact CG1-CG2 4.42Å; F227-T231 VanDerWaalsContact CE2-OG1 3.25Å; F227-T231 WeakPolarHBondContact CE2-OG1 3.02Å; F227-T231 VanDerWaalsContact O-CB 3.3Å; F227-T231 WeakPolarHBondContact O-CB 3.3Å; F227-T231 PolarHBondContact O-N 3.14Å; F227-T231 PolarHBondContact O-OG1 3.1Å; A228-T231 PolarHBondContact O-N 2.89Å; I229-T231 VanDerWaalsContact C-N 3.33Å; I229-T231 PolarHBondContact O-N 2.78Å; T231-I233 VanDerWaalsContact C-N 3.34Å; T231-I233 PolarHBondContact O-N 3.28Å; T231-V234 PolarHBondContact O-N 3.47Å; T231-L235 HydrophobicContact CG2-CD1 3.54Å; T231-L235 HydrophobicContact CG2-CG 4.02Å; T231-L235 VanDerWaalsContact O-CB 3.25Å; T231-L235 WeakPolarHBondContact O-CB 3.36Å; T231-L235 WeakPolarHBondContact O-CG 3.44Å; T231-L235 PolarHBondContact O-N 3.36Å
232	L	98.4	Very high	97.9	Very high	80 Å²	80	26.1 Å²	26.1	42%	0.419	15%	0.145	S	C	.	.	H	α-helix	trans	-53.3	-51.6	176.4	171.3	62.8	0	0	0	111.2	I209 A228 I229 A236	I209-L232 HydrophobicContact CD1-CD1 4.1Å; I209-L232 HydrophobicContact CG2-CB 4.44Å; I209-L232 HydrophobicContact CG2-CD1 3.76Å; A228-L232 WeakPolarHBondContact O-CB 3.39Å; A228-L232 PolarHBondContact O-N 3.12Å; I229-L232 PolarHBondContact O-N 3.4Å; L232-A236 HydrophobicContact CD1-CB 4.32Å; L232-A236 WeakPolarHBondContact O-CB 3.25Å; L232-A236 PolarHBondContact O-N 2.57Å
233	I	97.8	Very high	97.8	Very high	31 Å²	31	25.8 Å²	25.8	16%	0.159	14%	0.141	C	C	.	.	H	α-helix	trans	-61.9	-49.5	-176.6	-77.1	168.9	0	0	0	111.5	A30 F34 I229 F230 T231 S237	A30-I233 HydrophobicContact CB-CD1 3.7Å; F34-I233 HydrophobicContact CB-CD1 4.29Å; F34-I233 HydrophobicContact CB-CG1 4.48Å; F34-I233 HydrophobicContact CB-CG2 3.63Å; F34-I233 HydrophobicContact CD2-CG2 4.29Å; F34-I233 HydrophobicContact CG-CG2 4.46Å; I229-I233 HydrophobicContact CG2-CD1 4.01Å; I229-I233 PolarHBondContact O-N 2.89Å; F230-I233 PolarHBondContact O-N 2.97Å; T231-I233 VanDerWaalsContact C-N 3.34Å; T231-I233 PolarHBondContact O-N 3.28Å; I233-S237 WeakPolarHBondContact O-CB 3.07Å; I233-S237 PolarHBondContact O-N 3.44Å; I233-S237 PolarHBondContact O-OG 3.27Å
234	V	97.3	Very high	97.7	Very high	25 Å²	25	32.4 Å²	32.4	15%	0.152	17%	0.166	C	C	.	.	H	α-helix	trans	-66.7	-47.5	-176.8	174.1	0	0	0	0	110.9	T33 V42 F230 T231 R238	T33-V234 HydrophobicContact CG2-CG2 3.87Å; V42-V234 HydrophobicContact CG2-CG1 4.37Å; F230-V234 HydrophobicContact CD1-CG2 4.2Å; F230-V234 HydrophobicContact CE1-CG2 3.81Å; F230-V234 HydrophobicContact CZ-CG2 3.98Å; F230-V234 WeakPolarHBondContact O-CG2 3.33Å; F230-V234 PolarHBondContact O-N 3.23Å; F230-V234 VanDerWaalsContact O-N 3.08Å; T231-V234 PolarHBondContact O-N 3.47Å; V234-R238 WeakPolarHBondContact O-CB 3.41Å; V234-R238 PolarHBondContact O-N 3.08Å; V234-R238 VanDerWaalsContact O-N 3.14Å
235	L	98	Very high	97.7	Very high	17 Å²	17	34.7 Å²	34.7	9%	0.089	17%	0.174	C	C	.	.	H	α-helix	trans	-77.5	-35.5	-173.4	-64.7	-168.8	0	0	0	112.8	F205 E208 I209 T231 R238 A239	F205-L235 HydrophobicContact CB-CB 4.08Å; F205-L235 HydrophobicContact CD1-CB 4.5Å; F205-L235 HydrophobicContact CD1-CD1 4.42Å; F205-L235 HydrophobicContact CD1-CD2 3.9Å; F205-L235 HydrophobicContact CE1-CD2 4.28Å; F205-L235 HydrophobicContact CG-CB 4.36Å; E208-L235 HydrophobicContact CB-CD1 3.74Å; E208-L235 HydrophobicContact CG-CD1 3.8Å; I209-L235 HydrophobicContact CD1-CB 3.85Å; I209-L235 HydrophobicContact CG1-CB 3.96Å; I209-L235 HydrophobicContact CG1-CD1 4.23Å; T231-L235 HydrophobicContact CG2-CD1 3.54Å; T231-L235 HydrophobicContact CG2-CG 4.02Å; T231-L235 VanDerWaalsContact O-CB 3.25Å; T231-L235 WeakPolarHBondContact O-CB 3.36Å; T231-L235 WeakPolarHBondContact O-CG 3.44Å; T231-L235 PolarHBondContact O-N 3.36Å; L235-R238 WeakPolarHBondContact O-CB 3.04Å; L235-R238 PolarHBondContact O-N 3.3Å; L235-A239 WeakPolarHBondContact O-CB 3.5Å; L235-A239 PolarHBondContact O-N 3.4Å
236	A	97.3	Very high	97.6	Very high	16 Å²	16	33.3 Å²	33.3	13%	0.132	16%	0.161	C	C	.	.	H	α-helix	trans	-64.2	-49	174.5	0	0	0	0	0	110.9	I209 L232 R238 A239 F240 L260	I209-A236 HydrophobicContact CD1-CB 4.44Å; L232-A236 HydrophobicContact CD1-CB 4.32Å; L232-A236 WeakPolarHBondContact O-CB 3.25Å; L232-A236 PolarHBondContact O-N 2.57Å; A236-R238 PolarHBondContact O-N 2.97Å; A236-A239 WeakPolarHBondContact O-CB 3.41Å; A236-A239 PolarHBondContact O-N 3.11Å; A236-F240 WeakPolarHBondContact O-CD2 3.19Å; A236-F240 PolarHBondContact O-N 3.43Å; A236-L260 HydrophobicContact CB-CD2 3.7Å
237	S	96.2	Very high	97.5	Very high	26 Å²	26	37 Å²	37	18%	0.182	18%	0.18	C	C	.	.	H	α-helix	trans	-55	-40.7	176	-56.9	0	0	0	0	111.3	I233 F240 A241	I233-S237 WeakPolarHBondContact O-CB 3.07Å; I233-S237 PolarHBondContact O-N 3.44Å; I233-S237 PolarHBondContact O-OG 3.27Å; S237-F240 PolarHBondContact O-N 3.46Å; S237-A241 WeakPolarHBondContact O-CB 3.08Å; S237-A241 PolarHBondContact O-N 2.97Å
238	R	96.3	Very high	97.4	Very high	19 Å²	19	43.6 Å²	43.6	7%	0.072	21%	0.211	C	C	.	.	H	α-helix	trans	-67	-39.3	176.4	-167	179.3	-177	95.6	0.2	113.1	Y44 F205 V234 L235 A236 A241 H242	Y44-R238 VanDerWaalsContact CD2-NH2 3.28Å; Y44-R238 PolarHBondContact OH-NE 2.95Å; Y44-R238 PolarHBondContact OH-NH1 3.34Å; Y44-R238 VanDerWaalsContact OH-NH1 3.11Å; F205-R238 HydrophobicContact CE2-CB 4.14Å; F205-R238 HydrophobicContact CE2-CG 3.72Å; F205-R238 HydrophobicContact CZ-CB 4.49Å; F205-R238 HydrophobicContact CZ-CG 3.79Å; V234-R238 WeakPolarHBondContact O-CB 3.41Å; V234-R238 PolarHBondContact O-N 3.08Å; V234-R238 VanDerWaalsContact O-N 3.14Å; L235-R238 WeakPolarHBondContact O-CB 3.04Å; L235-R238 PolarHBondContact O-N 3.3Å; A236-R238 PolarHBondContact O-N 2.97Å; R238-A241 PolarHBondContact O-N 3.22Å; R238-H242 WeakPolarHBondContact O-CB 3.43Å; R238-H242 PolarHBondContact O-N 2.9Å
239	A	97.3	Very high	97.3	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.3	-46.7	175.9	0	0	0	0	0	111.3	F205 L235 A236 A241 H242 H243 L260	F205-A239 HydrophobicContact CD2-CB 3.86Å; L235-A239 WeakPolarHBondContact O-CB 3.5Å; L235-A239 PolarHBondContact O-N 3.4Å; A236-A239 WeakPolarHBondContact O-CB 3.41Å; A236-A239 PolarHBondContact O-N 3.11Å; A239-A241 PolarHBondContact O-N 3.46Å; A239-H242 PolarHBondContact O-N 2.97Å; A239-H243 WeakPolarHBondContact O-CB 3.5Å; A239-H243 PolarHBondContact O-N 3.5Å; A239-L260 HydrophobicContact CB-CB 4.02Å; A239-L260 HydrophobicContact CB-CD1 3.75Å; A239-L260 HydrophobicContact CB-CG 4.38Å
240	F	96.7	Very high	97.2	Very high	96 Å²	96	47.5 Å²	47.5	42%	0.421	22%	0.223	S	C	.	.	H	α-helix	trans	-60.5	-45.9	175.1	-76.4	-71.7	0	0	0	112.3	A236 S237 H242 H243 R244 A259 L265	A236-F240 WeakPolarHBondContact O-CD2 3.19Å; A236-F240 PolarHBondContact O-N 3.43Å; S237-F240 PolarHBondContact O-N 3.46Å; F240-H242 VanDerWaalsContact C-N 3.29Å; F240-H242 PolarHBondContact O-N 3.38Å; F240-H243 PolarHBondContact O-N 2.57Å; F240-R244 PolarHBondContact O-N 2.58Å; F240-A259 HydrophobicContact CD1-CB 3.58Å; F240-A259 HydrophobicContact CE1-CB 3.87Å; F240-A259 HydrophobicContact CG-CB 4.11Å; F240-L265 HydrophobicContact CE1-CB 4.5Å; F240-L265 HydrophobicContact CE1-CD1 4.22Å; F240-L265 HydrophobicContact CE2-CD1 4.08Å; F240-L265 HydrophobicContact CZ-CB 4.32Å; F240-L265 HydrophobicContact CZ-CD1 3.4Å; F240-L265 VanDerWaalsContact CZ-CD1 3.4Å; F240-L265 HydrophobicContact CZ-CG 4.33Å
241	A	96.6	Very high	97	Very high	5 Å²	5	55.4 Å²	55.4	4%	0.041	26%	0.26	C	S	.	.	H	α-helix	trans	-59.9	-41.7	175.8	0	0	0	0	0	111.7	N41 Y47 S237 R238 A239 W245	N41-A241 WeakPolarHBondContact OD1-CB 3.29Å; Y47-A241 HydrophobicContact CE2-CB 4.1Å; Y47-A241 WeakPolarHBondContact OH-CB 3.49Å; Y47-A241 PolarHBondContact OH-O 3.46Å; S237-A241 WeakPolarHBondContact O-CB 3.08Å; S237-A241 PolarHBondContact O-N 2.97Å; R238-A241 PolarHBondContact O-N 3.22Å; A239-A241 PolarHBondContact O-N 3.46Å; A241-W245 VanDerWaalsContact O-CB 3.3Å; A241-W245 WeakPolarHBondContact O-CB 3.43Å; A241-W245 PolarHBondContact O-N 3.45Å
242	H	96.4	Very high	96.9	Very high	19 Å²	19	60.7 Å²	60.7	9%	0.088	29%	0.288	C	S	.	.	H	α-helix	trans	-65.6	-44.2	177.8	-79.6	4.9	0	0	0	111.7	R46 Y47 F205 R238 A239 F240 W245 Y246	R46-H242 WeakPolarHBondContact CD-ND1 3.28Å; R46-H242 PolarHBondContact NE-CE1 3.5Å; R46-H242 PolarHBondContact NE-ND1 3.29Å; R46-H242 PolarHBondContact NH1-O 3.26Å; Y47-H242 AromaticContact CE2-CE1 3.45Å; Y47-H242 VanDerWaalsContact CE2-CE1 3.45Å; Y47-H242 WeakPolarHBondContact CE2-CE1 3.14Å; Y47-H242 AromaticContact CE2-ND1 3.43Å; Y47-H242 WeakPolarHBondContact CE2-ND1 3.38Å; Y47-H242 AromaticContact CZ-ND1 3.59Å; Y47-H242 WeakPolarHBondContact OH-CA 3.41Å; Y47-H242 PolarHBondContact OH-N 3.13Å; Y47-H242 VanDerWaalsContact OH-N 3.14Å; Y47-H242 PolarHBondContact OH-ND1 2.86Å; F205-H242 AromaticContact CE2-CD2 3.42Å; F205-H242 VanDerWaalsContact CE2-CD2 3.42Å; F205-H242 WeakPolarHBondContact CE2-CD2 3.34Å; F205-H242 AromaticContact CE2-NE2 3.89Å; F205-H242 AromaticContact CZ-CD2 3.76Å; F205-H242 AromaticContact CZ-NE2 3.77Å; R238-H242 WeakPolarHBondContact O-CB 3.43Å; R238-H242 PolarHBondContact O-N 2.9Å; A239-H242 PolarHBondContact O-N 2.97Å; F240-H242 VanDerWaalsContact C-N 3.29Å; F240-H242 PolarHBondContact O-N 3.38Å; H242-W245 PolarHBondContact O-N 2.73Å; H242-Y246 HydrophobicContact CB-CD2 4.49Å; H242-Y246 HydrophobicContact CB-CE2 4.42Å; H242-Y246 WeakPolarHBondContact O-CD2 3.42Å; H242-Y246 PolarHBondContact O-N 3.46Å
243	H	97.7	Very high	96.8	Very high	31 Å²	31	57.2 Å²	57.2	14%	0.144	27%	0.269	C	S	.	.	H	α-helix	trans	-59	-51.8	177.1	-174.4	65.9	0	0	0	111.6	S201 A239 F240 W245 Y246 L247 R257 A259	S201-H243 PolarHBondContact OG-ND1 3.07Å; A239-H243 WeakPolarHBondContact O-CB 3.5Å; A239-H243 PolarHBondContact O-N 3.5Å; F240-H243 PolarHBondContact O-N 2.57Å; H243-W245 VanDerWaalsContact C-N 3.29Å; H243-W245 PolarHBondContact O-N 3.21Å; H243-Y246 PolarHBondContact O-N 2.81Å; H243-Y246 VanDerWaalsContact O-N 3.11Å; H243-L247 WeakPolarHBondContact NE2-CD1 3.36Å; H243-L247 PolarHBondContact O-N 3.14Å; H243-R257 PolarHBondContact CE1-O 2.98Å; H243-A259 HydrophobicContact CB-CB 3.65Å
244	R	96.9	Very high	96.7	Very high	140 Å²	140	57.8 Å²	57.8	53%	0.528	28%	0.275	S	S	.	.	H	α-helix	trans	-56.9	-44.2	176	-179	173.4	63.4	-177.8	-4	111.8	F240 Y246 L247 Q248	F240-R244 PolarHBondContact O-N 2.58Å; R244-Y246 VanDerWaalsContact C-N 3.35Å; R244-Y246 PolarHBondContact O-N 2.89Å; R244-L247 PolarHBondContact O-N 3.09Å; R244-Q248 VanDerWaalsContact O-CG 3.3Å; R244-Q248 WeakPolarHBondContact O-CG 3.49Å; R244-Q248 PolarHBondContact O-N 2.81Å; R244-Q248 VanDerWaalsContact O-N 3.13Å
245	W	97	Very high	96.6	Very high	51 Å²	51	65 Å²	65	19%	0.193	30%	0.304	C	S	.	.	H	α-helix	trans	-64.2	-39.4	178.3	-177.5	90.3	0	0	0	112.2	Y189 A241 H242 H243 Q248 K249 F250	Y189-W245 VanDerWaalsContact CB-CH2 3.5Å; Y189-W245 HydrophobicContact CD1-CH2 4.06Å; Y189-W245 HydrophobicContact CD1-CZ3 4.38Å; Y189-W245 AromaticContact CD2-CH2 3.75Å; Y189-W245 HydrophobicContact CD2-CH2 3.75Å; Y189-W245 HydrophobicContact CD2-CZ2 4.07Å; Y189-W245 AromaticContact CG-CH2 3.49Å; Y189-W245 HydrophobicContact CG-CH2 3.49Å; Y189-W245 VanDerWaalsContact CG-CH2 3.49Å; Y189-W245 HydrophobicContact CG-CZ2 4.26Å; Y189-W245 HydrophobicContact CG-CZ3 4.18Å; A241-W245 VanDerWaalsContact O-CB 3.3Å; A241-W245 WeakPolarHBondContact O-CB 3.43Å; A241-W245 PolarHBondContact O-N 3.45Å; H242-W245 PolarHBondContact O-N 2.73Å; H243-W245 VanDerWaalsContact C-N 3.29Å; H243-W245 PolarHBondContact O-N 3.21Å; W245-Q248 PolarHBondContact O-N 2.93Å; W245-K249 HydrophobicContact CD2-CB 4.2Å; W245-K249 HydrophobicContact CE3-CB 4.13Å; W245-K249 HydrophobicContact CH2-CB 4.11Å; W245-K249 HydrophobicContact CH2-CD 4.46Å; W245-K249 HydrophobicContact CH2-CG 3.64Å; W245-K249 HydrophobicContact CZ2-CB 4.12Å; W245-K249 HydrophobicContact CZ2-CD 4.16Å; W245-K249 HydrophobicContact CZ2-CG 3.75Å; W245-K249 HydrophobicContact CZ3-CB 4.13Å; W245-K249 HydrophobicContact CZ3-CG 4.09Å; W245-K249 WeakPolarHBondContact O-CB 3.41Å; W245-K249 PolarHBondContact O-N 3.27Å; W245-F250 HydrophobicContact CH2-CE2 4.12Å; W245-F250 AromaticContact CZ3-CE2 3.74Å; W245-F250 HydrophobicContact CZ3-CE2 3.74Å
246	Y	97.3	Very high	96.5	Very high	7 Å²	7	68.9 Å²	68.9	3%	0.027	33%	0.333	C	S	.	.	H	α-helix	trans	-64.4	-46.1	177.5	-83.7	-62.2	0	0	0	111.9	R46 H242 H243 R244 Q248 K249 F250 Y253	R46-Y246 VanDerWaalsContact NH1-CE2 3.31Å; R46-Y246 VanDerWaalsContact NH2-CZ 3.26Å; R46-Y246 PolarHBondContact NH2-OH 3.45Å; H242-Y246 HydrophobicContact CB-CD2 4.49Å; H242-Y246 HydrophobicContact CB-CE2 4.42Å; H242-Y246 WeakPolarHBondContact O-CD2 3.42Å; H242-Y246 PolarHBondContact O-N 3.46Å; H243-Y246 PolarHBondContact O-N 2.81Å; H243-Y246 VanDerWaalsContact O-N 3.11Å; R244-Y246 VanDerWaalsContact C-N 3.35Å; R244-Y246 PolarHBondContact O-N 2.89Å; Y246-Q248 PolarHBondContact O-N 2.76Å; Y246-K249 PolarHBondContact O-N 2.91Å; Y246-F250 AromaticContact CD1-CD2 3.7Å; Y246-F250 HydrophobicContact CD1-CD2 3.7Å; Y246-F250 AromaticContact CD1-CE2 3.6Å; Y246-F250 HydrophobicContact CD1-CE2 3.6Å; Y246-F250 HydrophobicContact CE1-CD2 4.37Å; Y246-F250 AromaticContact CE1-CE2 3.84Å; Y246-F250 HydrophobicContact CE1-CE2 3.84Å; Y246-F250 PolarHBondContact O-N 2.85Å; Y246-Y253 HydrophobicContact CD1-CD2 4.18Å; Y246-Y253 AromaticContact CD1-CE2 3.94Å; Y246-Y253 HydrophobicContact CD1-CE2 3.94Å; Y246-Y253 HydrophobicContact CD2-CE2 4.26Å; Y246-Y253 HydrophobicContact CG-CD2 4.14Å; Y246-Y253 AromaticContact CG-CE2 3.68Å; Y246-Y253 HydrophobicContact CG-CE2 3.68Å
247	L	97	Very high	96.5	Very high	76 Å²	76	68.3 Å²	68.3	40%	0.398	33%	0.327	S	S	.	.	H	α-helix	trans	-58.7	-35	175.8	-73.6	168.7	0	0	0	113.1	H243 R244 Y253 K255	H243-L247 WeakPolarHBondContact NE2-CD1 3.36Å; H243-L247 PolarHBondContact O-N 3.14Å; R244-L247 PolarHBondContact O-N 3.09Å; L247-Y253 HydrophobicContact CD2-CD1 3.83Å; L247-Y253 HydrophobicContact CG-CD1 4.15Å; L247-K255 HydrophobicContact CD2-CG 4.47Å
248	Q	96.8	Very high	96.6	Very high	148 Å²	148	70.6 Å²	70.6	69%	0.692	33%	0.334	S	S	*	.	H	α-helix	trans	-81.3	-31.9	178.4	-70.9	172.2	-11.9	0	0	112.9	R244 W245 Y246	R244-Q248 VanDerWaalsContact O-CG 3.3Å; R244-Q248 WeakPolarHBondContact O-CG 3.49Å; R244-Q248 PolarHBondContact O-N 2.81Å; R244-Q248 VanDerWaalsContact O-N 3.13Å; W245-Q248 PolarHBondContact O-N 2.93Å; Y246-Q248 PolarHBondContact O-N 2.76Å
249	K	95.8	Very high	96.6	Very high	130 Å²	130	69.7 Å²	69.7	57%	0.565	33%	0.33	S	S	*	.	H	α-helix	trans	-85.9	-35	-171.8	-178.9	61.2	-177	167.5	0	113.2	W245 Y246	W245-K249 HydrophobicContact CD2-CB 4.2Å; W245-K249 HydrophobicContact CE3-CB 4.13Å; W245-K249 HydrophobicContact CH2-CB 4.11Å; W245-K249 HydrophobicContact CH2-CD 4.46Å; W245-K249 HydrophobicContact CH2-CG 3.64Å; W245-K249 HydrophobicContact CZ2-CB 4.12Å; W245-K249 HydrophobicContact CZ2-CD 4.16Å; W245-K249 HydrophobicContact CZ2-CG 3.75Å; W245-K249 HydrophobicContact CZ3-CB 4.13Å; W245-K249 HydrophobicContact CZ3-CG 4.09Å; W245-K249 WeakPolarHBondContact O-CB 3.41Å; W245-K249 PolarHBondContact O-N 3.27Å; Y246-K249 PolarHBondContact O-N 2.91Å
250	F	96.5	Very high	96.6	Very high	36 Å²	36	70 Å²	70	16%	0.158	33%	0.332	C	S	.	.			trans	-121.3	118.6	-172.7	-62.8	-82.9	0	0	0	110.2	Y189 I191 W245 Y246 D252 Y253	Y189-F250 WeakPolarHBondContact O-CZ 3.38Å; I191-F250 HydrophobicContact CD1-CB 3.89Å; I191-F250 HydrophobicContact CD1-CD1 4.18Å; I191-F250 HydrophobicContact CD1-CG 4.01Å; I191-F250 HydrophobicContact CG1-CB 4.18Å; I191-F250 HydrophobicContact CG1-CD1 3.93Å; I191-F250 HydrophobicContact CG1-CD2 4.01Å; I191-F250 HydrophobicContact CG1-CE1 4.3Å; I191-F250 HydrophobicContact CG1-CE2 4.36Å; I191-F250 HydrophobicContact CG1-CG 3.78Å; W245-F250 HydrophobicContact CH2-CE2 4.12Å; W245-F250 AromaticContact CZ3-CE2 3.74Å; W245-F250 HydrophobicContact CZ3-CE2 3.74Å; Y246-F250 AromaticContact CD1-CD2 3.7Å; Y246-F250 HydrophobicContact CD1-CD2 3.7Å; Y246-F250 AromaticContact CD1-CE2 3.6Å; Y246-F250 HydrophobicContact CD1-CE2 3.6Å; Y246-F250 HydrophobicContact CE1-CD2 4.37Å; Y246-F250 AromaticContact CE1-CE2 3.84Å; Y246-F250 HydrophobicContact CE1-CE2 3.84Å; Y246-F250 PolarHBondContact O-N 2.85Å; F250-D252 PolarHBondContact O-N 3.16Å; F250-Y253 WeakPolarHBondContact O-CB 3.41Å; F250-Y253 PolarHBondContact O-N 3.37Å
251	E	95.6	Very high	96.5	Very high	200 Å²	200	68.6 Å²	68.6	94%	0.935	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-31.6	176.8	-64.6	-178.1	176.8	0	0	111.9	Y253	E251-Y253 VanDerWaalsContact C-N 3.34Å
252	D	95.5	Very high	96.3	Very high	121 Å²	121	69.8 Å²	69.8	65%	0.647	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	10	179.6	64.5	-33.6	0	0	0	113.8	I191 F250	I191-D252 WeakPolarHBondContact CD1-OD1 3.49Å; F250-D252 PolarHBondContact O-N 3.16Å
253	Y	97.6	Very high	96.1	Very high	7 Å²	7	76.5 Å²	76.5	3%	0.027	37%	0.365	C	S	.	.			trans	-63.9	130.5	178.2	-164.9	-105.9	0	0	0	112	I191 S201 Y246 L247 F250 E251 K255 R257	I191-Y253 HydrophobicContact CD1-CD2 4.15Å; I191-Y253 HydrophobicContact CG1-CD2 4.07Å; I191-Y253 HydrophobicContact CG2-CD2 3.95Å; I191-Y253 HydrophobicContact CG2-CE2 3.95Å; S201-Y253 WeakPolarHBondContact CB-OH 3.47Å; S201-Y253 PolarHBondContact OG-OH 3.12Å; Y246-Y253 HydrophobicContact CD1-CD2 4.18Å; Y246-Y253 AromaticContact CD1-CE2 3.94Å; Y246-Y253 HydrophobicContact CD1-CE2 3.94Å; Y246-Y253 HydrophobicContact CD2-CE2 4.26Å; Y246-Y253 HydrophobicContact CG-CD2 4.14Å; Y246-Y253 AromaticContact CG-CE2 3.68Å; Y246-Y253 HydrophobicContact CG-CE2 3.68Å; L247-Y253 HydrophobicContact CD2-CD1 3.83Å; L247-Y253 HydrophobicContact CG-CD1 4.15Å; F250-Y253 WeakPolarHBondContact O-CB 3.41Å; F250-Y253 PolarHBondContact O-N 3.37Å; E251-Y253 VanDerWaalsContact C-N 3.34Å; Y253-K255 PolarHBondContact O-N 3.37Å; Y253-R257 HydrophobicContact CE1-CB 4.29Å
254	P	96	Very high	95.8	Very high	43 Å²	43	79.7 Å²	79.7	28%	0.279	39%	0.386	S	S	.	.			trans	-62.7	108	179.1	-24.5	35.3	0	0	0	112.2	S256 R257	P254-S256 PolarHBondContact O-N 2.92Å; P254-R257 HydrophobicContact CB-CG 4.05Å; P254-R257 WeakPolarHBondContact O-CB 3.45Å; P254-R257 PolarHBondContact O-N 3.16Å; P254-R257 VanDerWaalsContact O-N 3.17Å
255	K	94.6	Very high	95.1	Very high	177 Å²	177	76.6 Å²	76.6	77%	0.77	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-14.6	-177.7	-61.3	-177.2	-177.4	176.5	0	114	L247 Y253 R257	L247-K255 HydrophobicContact CD2-CG 4.47Å; Y253-K255 PolarHBondContact O-N 3.37Å; K255-R257 VanDerWaalsContact C-N 3.34Å
256	S	95.3	Very high	95	Very high	98 Å²	98	77.9 Å²	77.9	69%	0.685	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-23.2	174.6	53.7	0	0	0	0	113.1	P254	P254-S256 PolarHBondContact O-N 2.92Å
257	R	97.2	Very high	94.9	Very high	5 Å²	5	81.6 Å²	81.6	2%	0.019	41%	0.408	C	S	.	.			trans	-64.1	147.6	179.3	-72	175.2	-175.4	-168.4	-3.8	110.6	P192 F197 E198 Y199 H243 Y253 P254 K255	P192-R257 PolarHBondContact O-NH1 3.43Å; P192-R257 PolarHBondContact O-NH2 3.3Å; F197-R257 VanDerWaalsContact O-CD 3.29Å; F197-R257 WeakPolarHBondContact O-CD 3.4Å; F197-R257 PolarHBondContact O-NE 3.45Å; F197-R257 PolarHBondContact O-NH1 2.93Å; F197-R257 PolarHBondContact O-NH2 3.22Å; E198-R257 IonicContact OE1-NH2 3.67Å; E198-R257 IonicContact OE2-NH2 3.05Å; E198-R257 PolarHBondContact OE2-NH2 2.9Å; Y199-R257 CarbonylContact O-C 3.59Å; Y199-R257 WeakPolarHBondContact O-CA 3.39Å; H243-R257 PolarHBondContact CE1-O 2.98Å; Y253-R257 HydrophobicContact CE1-CB 4.29Å; P254-R257 HydrophobicContact CB-CG 4.05Å; P254-R257 WeakPolarHBondContact O-CB 3.45Å; P254-R257 PolarHBondContact O-N 3.16Å; P254-R257 VanDerWaalsContact O-N 3.17Å; K255-R257 VanDerWaalsContact C-N 3.34Å
258	K	97.9	Very high	94.7	Very high	73 Å²	73	81.9 Å²	81.9	32%	0.317	41%	0.408	S	S	.	.	B	Isolated β-bridge	trans	-101.5	171.5	172.7	-59.5	-56.7	-177.2	-179.3	0	110.7	Y199 V200 S201	Y199-K258 PolarHBondContact O-N 3.3Å; V200-K258 CarbonylContact C-O 3.55Å; V200-K258 WeakPolarHBondContact CA-O 3.49Å; V200-K258 HydrophobicContact CG1-CB 4.29Å; S201-K258 PolarHBondContact N-O 3.48Å; S201-K258 PolarHBondContact OG-O 3.11Å
259	A	97.1	Very high	94.6	Very high	0 Å²	0	78 Å²	78	0%	0	39%	0.392	C	S	.	.	S	Bend	trans	-73	-46.1	179.3	0	0	0	0	0	111.7	S201 G202 F240 H243 L265	S201-A259 PolarHBondContact N-O 3.15Å; G202-A259 PolarHBondContact N-O 3.07Å; F240-A259 HydrophobicContact CD1-CB 3.58Å; F240-A259 HydrophobicContact CE1-CB 3.87Å; F240-A259 HydrophobicContact CG-CB 4.11Å; H243-A259 HydrophobicContact CB-CB 3.65Å; A259-L265 WeakPolarHBondContact CA-OXT 3.2Å; A259-L265 VanDerWaalsContact CB-OXT 3.23Å; A259-L265 WeakPolarHBondContact CB-OXT 3.41Å; A259-L265 PolarHBondContact N-O 3.16Å; A259-L265 PolarHBondContact N-OXT 2.72Å
260	L	97	Very high	94.5	Very high	7 Å²	7	74.8 Å²	74.8	4%	0.037	38%	0.381	C	S	.	.	S	Bend	trans	-142.1	-49.5	-167	-173.8	70.2	0	0	0	114.8	V200 F205 F206 I209 A236 A239 L265	V200-L260 WeakPolarHBondContact CG1-O 3.31Å; F205-L260 HydrophobicContact CB-CD1 4.04Å; F206-L260 HydrophobicContact CB-CD1 3.98Å; F206-L260 VanDerWaalsContact CD2-O 3.27Å; F206-L260 WeakPolarHBondContact CD2-O 3.45Å; I209-L260 HydrophobicContact CD1-CD1 4Å; I209-L260 HydrophobicContact CD1-CD2 3.83Å; I209-L260 HydrophobicContact CD1-CG 4.49Å; A236-L260 HydrophobicContact CB-CD2 3.7Å; A239-L260 HydrophobicContact CB-CB 4.02Å; A239-L260 HydrophobicContact CB-CD1 3.75Å; A239-L260 HydrophobicContact CB-CG 4.38Å; L260-L265 CarbonylContact C-O 3.25Å; L260-L265 HydrophobicContact CB-CD1 4.23Å; L260-L265 PolarHBondContact N-O 3.25Å
261	I	94.9	Very high	94.4	Very high	67 Å²	67	77.3 Å²	77.3	34%	0.344	40%	0.396	S	S	.	.	S	Bend	trans	-101.1	119.4	-177	-59.7	175	0	0	0	108.4	F263 V264 L265	I261-F263 PolarHBondContact O-N 2.99Å; I261-V264 HydrophobicContact CB-CB 4.09Å; I261-V264 HydrophobicContact CG2-CB 3.79Å; I261-V264 HydrophobicContact CG2-CG2 3.86Å; I261-V264 PolarHBondContact O-N 3.12Å; I261-V264 VanDerWaalsContact O-N 3.09Å; I261-L265 HydrophobicContact CB-CD1 4.35Å; I261-L265 HydrophobicContact CB-CG 4.22Å; I261-L265 HydrophobicContact CD1-CD1 4.03Å; I261-L265 HydrophobicContact CD1-CD2 4.19Å; I261-L265 HydrophobicContact CD1-CG 4.04Å; I261-L265 HydrophobicContact CG1-CD1 4.05Å; I261-L265 HydrophobicContact CG1-CG 4.28Å; I261-L265 PolarHBondContact N-O 3.42Å; I261-L265 PolarHBondContact O-N 3.29Å
262	P	92.9	Very high	94.3	Very high	29 Å²	29	68.6 Å²	68.6	19%	0.188	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	131.2	179.7	-28.4	35.4	0	0	0	111.9	L196 V200 V264	L196-P262 HydrophobicContact CD1-CG 4.22Å; V200-P262 HydrophobicContact CG1-CB 4.31Å; V200-P262 HydrophobicContact CG1-CG 3.87Å; P262-V264 PolarHBondContact O-N 2.9Å
263	F	91.8	Very high	94.2	Very high	160 Å²	160	64.5 Å²	64.5	70%	0.702	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	-4.3	178.4	-41.3	-72.1	0	0	0	116.6	Y199 I261	Y199-F263 AromaticContact CD1-CE1 3.71Å; Y199-F263 HydrophobicContact CD1-CE1 3.71Å; Y199-F263 HydrophobicContact CD1-CE2 4.2Å; Y199-F263 AromaticContact CD1-CZ 3.36Å; Y199-F263 HydrophobicContact CD1-CZ 3.36Å; Y199-F263 HydrophobicContact CE1-CE1 4.05Å; Y199-F263 HydrophobicContact CE1-CE2 4.5Å; Y199-F263 AromaticContact CE1-CZ 3.52Å; Y199-F263 HydrophobicContact CE1-CZ 3.52Å; Y199-F263 HydrophobicContact CG-CZ 4.37Å; I261-F263 PolarHBondContact O-N 2.99Å
264	V	91.6	Very high	93.9	Very high	99 Å²	99	69.3 Å²	69.3	60%	0.6	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	-72.3	-178.1	-176.8	0	0	0	0	111.3	I261 P262	I261-V264 HydrophobicContact CB-CB 4.09Å; I261-V264 HydrophobicContact CG2-CB 3.79Å; I261-V264 HydrophobicContact CG2-CG2 3.86Å; I261-V264 PolarHBondContact O-N 3.12Å; I261-V264 VanDerWaalsContact O-N 3.09Å; P262-V264 PolarHBondContact O-N 2.9Å
265	L	81.1	Confident	93.8	Very high	74 Å²	74	71.7 Å²	71.7	39%	0.387	37%	0.368	S	S	.	.			trans	-146.2	0	-168.5	63.3	80.7	0	0	0	113.8	F240 A259 L260 I261	F240-L265 HydrophobicContact CE1-CB 4.5Å; F240-L265 HydrophobicContact CE1-CD1 4.22Å; F240-L265 HydrophobicContact CE2-CD1 4.08Å; F240-L265 HydrophobicContact CZ-CB 4.32Å; F240-L265 HydrophobicContact CZ-CD1 3.4Å; F240-L265 VanDerWaalsContact CZ-CD1 3.4Å; F240-L265 HydrophobicContact CZ-CG 4.33Å; A259-L265 WeakPolarHBondContact CA-OXT 3.2Å; A259-L265 VanDerWaalsContact CB-OXT 3.23Å; A259-L265 WeakPolarHBondContact CB-OXT 3.41Å; A259-L265 PolarHBondContact N-O 3.16Å; A259-L265 PolarHBondContact N-OXT 2.72Å; L260-L265 CarbonylContact C-O 3.25Å; L260-L265 HydrophobicContact CB-CD1 4.23Å; L260-L265 PolarHBondContact N-O 3.25Å; I261-L265 HydrophobicContact CB-CD1 4.35Å; I261-L265 HydrophobicContact CB-CG 4.22Å; I261-L265 HydrophobicContact CD1-CD1 4.03Å; I261-L265 HydrophobicContact CD1-CD2 4.19Å; I261-L265 HydrophobicContact CD1-CG 4.04Å; I261-L265 HydrophobicContact CG1-CD1 4.05Å; I261-L265 HydrophobicContact CG1-CG 4.28Å; I261-L265 PolarHBondContact N-O 3.42Å; I261-L265 PolarHBondContact O-N 3.29Å

Retrieved 265 of 265 residues in 61 ms (Link to these results)

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