A0A087XD45_POEFO Loading...

Histone deacetylase 3

Histone deacetylase that catalyzes the deacetylation of lysine residues on the N-terminal part of the core histones (H2A, H2B, H3 and H4), and some other non-histone substrates. Histone deacetylation gives a tag for epigenetic repression and plays an important role in transcriptional regulation, cell cycle progression and developmental events. Histone deacetylases act via the formation of large multiprotein complexes.

AlphaFold DB , UniProt , Accession A0A087XD45, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 428 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.2	Very low	89.9	Confident	239 Å²	239	57.9 Å²	57.9	100%	1.177	30%	0.296	S	S	*	.				0	125.6	0	-75.1	174.1	179.3	0	0	106
2	T	70.3	Confident	90.5	Very high	115 Å²	115	58.2 Å²	58.2	71%	0.706	30%	0.298	S	S	*	.			trans	-66	135.8	173.8	42.6	0	0	0	0	109
3	N	83.8	Confident	91.1	Very high	51 Å²	51	53.9 Å²	53.9	27%	0.273	28%	0.277	S	S	.	.			trans	-58.5	138.7	178	-71.2	-10.9	0	0	0	110.2	T5 D124 I125	N3-T5 PolarHBondContact O-N 3.17Å; N3-D124 HydrophobicContact CB-CB 4.27Å; N3-I125 HydrophobicContact CB-CD1 4.11Å; N3-I125 HydrophobicContact CB-CG1 4.47Å
4	R	96.6	Very high	91.5	Very high	112 Å²	112	50.2 Å²	50.2	42%	0.423	26%	0.258	S	S	.	.			trans	-76.7	114.3	172.9	-65.2	170.8	-64.2	155.9	6.4	108.3	M46 K121 I122 C123 D124 I125	R4-M46 HydrophobicContact CB-CE 4.47Å; R4-K121 VanDerWaalsContact CZ-O 3.25Å; R4-K121 PolarHBondContact NH1-O 3.36Å; R4-K121 PolarHBondContact NH2-O 2.93Å; R4-I122 PolarHBondContact NH1-O 3.32Å; R4-I122 VanDerWaalsContact NH1-O 3.11Å; R4-C123 WeakPolarHBondContact O-CB 3.42Å; R4-D124 WeakPolarHBondContact CB-OD2 3.48Å; R4-D124 IonicContact CZ-OD1 3.28Å; R4-D124 PolarHBondContact N-OD2 2.87Å; R4-D124 IonicContact NE-OD1 3.74Å; R4-D124 IonicContact NE-OD2 3.8Å; R4-D124 PolarHBondContact NE-OD2 2.87Å; R4-D124 IonicContact NH2-OD1 3.95Å; R4-D124 PolarHBondContact NH2-OD1 3.4Å; R4-D124 PolarHBondContact O-N 2.78Å; R4-I125 PolarHBondContact O-N 3.34Å; R4-I125 VanDerWaalsContact O-N 3.14Å
5	T	98.5	Very high	92	Very high	4 Å²	4	54.5 Å²	54.5	3%	0.025	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	126.5	-178.3	-58.1	0	0	0	0	110.6	N3 M45 M46 I125 I127 L315	N3-T5 PolarHBondContact O-N 3.17Å; T5-M45 HydrophobicContact CG2-CB 4.26Å; T5-M45 WeakPolarHBondContact O-CA 3.44Å; T5-M45 WeakPolarHBondContact O-CB 3.25Å; T5-M46 PolarHBondContact O-N 2.78Å; T5-I125 CarbonylContact C-O 3.43Å; T5-I125 WeakPolarHBondContact CA-O 3.45Å; T5-I125 HydrophobicContact CG2-CB 4.25Å; T5-I125 HydrophobicContact CG2-CG2 4.17Å; T5-I127 HydrophobicContact CG2-CD1 3.55Å; T5-I127 HydrophobicContact CG2-CG1 4.01Å; T5-L315 HydrophobicContact CG2-CD2 3.91Å
6	S	98.8	Very high	92.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	137	168.6	-68.8	0	0	0	0	109.9	M46 F48 Q117 C123 I125 A126 I127	S6-M46 CarbonylContact C-O 3.59Å; S6-M46 WeakPolarHBondContact CA-O 3.49Å; S6-F48 WeakPolarHBondContact OG-CE2 3.41Å; S6-Q117 VanDerWaalsContact CB-OE1 3.22Å; S6-Q117 PolarHBondContact OG-OE1 2.84Å; S6-C123 WeakPolarHBondContact OG-CB 3.44Å; S6-I125 PolarHBondContact N-O 2.83Å; S6-A126 CarbonylContact O-C 3.41Å; S6-A126 WeakPolarHBondContact O-CA 3.34Å; S6-I127 PolarHBondContact O-N 3.18Å
7	Y	98.9	Very high	92.7	Very high	3 Å²	3	55.4 Å²	55.4	1%	0.012	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	124	179.1	175.4	-87.5	0	0	0	109.8	Y9 H33 M45 M46 V47 F48 I127 W129	Y7-Y9 HydrophobicContact CE1-CG 4.43Å; Y7-H33 AromaticContact CE1-CE1 3.93Å; Y7-H33 AromaticContact CE1-ND1 3.44Å; Y7-H33 WeakPolarHBondContact CE1-ND1 3.33Å; Y7-H33 AromaticContact CZ-ND1 3.85Å; Y7-H33 PolarHBondContact OH-ND1 2.8Å; Y7-M45 WeakPolarHBondContact CB-SD 3.39Å; Y7-M45 HydrophobicContact CD1-CE 3.81Å; Y7-M45 HydrophobicContact CD2-CE 3.85Å; Y7-M45 HydrophobicContact CD2-SD 4.05Å; Y7-M45 HydrophobicContact CE1-CE 4.34Å; Y7-M45 HydrophobicContact CE2-CE 4.38Å; Y7-M45 HydrophobicContact CG-CE 3.54Å; Y7-M45 HydrophobicContact CG-SD 3.8Å; Y7-M46 PolarHBondContact N-O 2.82Å; Y7-V47 HydrophobicContact CD1-CG1 4.19Å; Y7-V47 HydrophobicContact CD1-CG2 4.33Å; Y7-V47 CarbonylContact O-C 3.58Å; Y7-V47 WeakPolarHBondContact O-CA 3.49Å; Y7-F48 PolarHBondContact O-N 3.35Å; Y7-I127 HydrophobicContact CD2-CB 3.97Å; Y7-I127 HydrophobicContact CD2-CD1 4.49Å; Y7-I127 HydrophobicContact CD2-CG2 3.86Å; Y7-I127 HydrophobicContact CE2-CG2 4.23Å; Y7-W129 AromaticContact CE2-CD1 3.55Å; Y7-W129 AromaticContact CE2-NE1 3.71Å
8	F	98.8	Very high	93	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.018	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	121.9	-175.1	-59.5	-82.8	0	0	0	110.3	F48 P50 A110 Q113 G114 Q117 A126 I127 N128	F8-F48 WeakPolarHBondContact CA-O 3.3Å; F8-F48 HydrophobicContact CD1-CB 3.64Å; F8-F48 HydrophobicContact CD1-CD2 4.47Å; F8-F48 HydrophobicContact CD1-CG 4.35Å; F8-F48 HydrophobicContact CE1-CB 3.78Å; F8-F48 AromaticContact CE1-CD2 3.97Å; F8-F48 HydrophobicContact CE1-CD2 3.97Å; F8-F48 AromaticContact CE1-CG 4Å; F8-F48 HydrophobicContact CE1-CG 4Å; F8-F48 HydrophobicContact CZ-CD2 4.36Å; F8-P50 HydrophobicContact CB-CB 4.33Å; F8-P50 HydrophobicContact CD1-CB 4.37Å; F8-A110 HydrophobicContact CB-CB 3.84Å; F8-A110 HydrophobicContact CG-CB 4.47Å; F8-Q113 HydrophobicContact CD1-CB 4.43Å; F8-Q113 HydrophobicContact CD1-CG 4.35Å; F8-Q113 HydrophobicContact CE1-CB 4Å; F8-Q113 HydrophobicContact CE1-CG 3.6Å; F8-Q113 HydrophobicContact CZ-CB 4.47Å; F8-Q113 HydrophobicContact CZ-CG 4.19Å; F8-G114 VanDerWaalsContact CE2-CA 3.47Å; F8-Q117 HydrophobicContact CZ-CG 4.41Å; F8-A126 HydrophobicContact CE2-CB 4Å; F8-I127 WeakPolarHBondContact CD2-O 3.28Å; F8-I127 PolarHBondContact N-O 3.15Å; F8-N128 HydrophobicContact CB-CB 4.47Å
9	Y	98.7	Very high	93.2	Very high	32 Å²	32	51.1 Å²	51.1	13%	0.125	27%	0.267	C	S	.	.			trans	-145.3	127.8	175.6	175.1	-102.1	0	0	0	111.5	Y7 P11 V13 H33 F48 P50	Y7-Y9 HydrophobicContact CE1-CG 4.43Å; Y9-P11 HydrophobicContact CD1-CG 4.44Å; Y9-P11 HydrophobicContact CE1-CB 4.21Å; Y9-P11 HydrophobicContact CE1-CG 4.09Å; Y9-V13 HydrophobicContact CD2-CG1 4.33Å; Y9-V13 HydrophobicContact CE2-CG1 4.02Å; Y9-H33 HydrophobicContact CD1-CB 4.33Å; Y9-H33 AromaticContact CD1-CD2 3.36Å; Y9-H33 WeakPolarHBondContact CD1-CD2 3.32Å; Y9-H33 AromaticContact CD1-CE1 3.41Å; Y9-H33 VanDerWaalsContact CD1-CE1 3.41Å; Y9-H33 WeakPolarHBondContact CD1-CE1 3.35Å; Y9-H33 AromaticContact CD1-CG 3.5Å; Y9-H33 VanDerWaalsContact CD1-CG 3.5Å; Y9-H33 AromaticContact CD1-ND1 3.54Å; Y9-H33 AromaticContact CD1-NE2 3.28Å; Y9-H33 VanDerWaalsContact CD1-NE2 3.28Å; Y9-H33 WeakPolarHBondContact CD1-NE2 3.38Å; Y9-H33 HydrophobicContact CD2-CB 3.74Å; Y9-H33 AromaticContact CD2-CG 3.74Å; Y9-H33 AromaticContact CD2-ND1 3.94Å; Y9-H33 HydrophobicContact CE1-CB 4.1Å; Y9-H33 AromaticContact CE1-CD2 3.07Å; Y9-H33 WeakPolarHBondContact CE1-CD2 3.27Å; Y9-H33 AromaticContact CE1-CE1 3.98Å; Y9-H33 AromaticContact CE1-CG 3.47Å; Y9-H33 VanDerWaalsContact CE1-CG 3.47Å; Y9-H33 AromaticContact CE1-NE2 3.42Å; Y9-H33 WeakPolarHBondContact CE1-NE2 3.18Å; Y9-H33 HydrophobicContact CE2-CB 3.48Å; Y9-H33 VanDerWaalsContact CE2-CB 3.48Å; Y9-H33 AromaticContact CE2-CG 3.73Å; Y9-H33 HydrophobicContact CG-CB 4.15Å; Y9-H33 AromaticContact CG-CD2 3.99Å; Y9-H33 AromaticContact CG-CE1 3.75Å; Y9-H33 AromaticContact CG-CG 3.61Å; Y9-H33 AromaticContact CG-ND1 3.48Å; Y9-H33 AromaticContact CZ-CD2 3.51Å; Y9-H33 AromaticContact CZ-CG 3.59Å; Y9-F48 PolarHBondContact N-O 2.99Å; Y9-P50 VanDerWaalsContact C-CD 3.43Å; Y9-P50 WeakPolarHBondContact O-CD 3.28Å
10	D	98.2	Very high	93.3	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.021	30%	0.297	C	S	.	.			trans	-103.2	121.1	169.9	-164.1	-47.4	0	0	0	109.7	D12 V13 P50 R106	D10-D12 PolarHBondContact O-N 3.19Å; D10-D12 PolarHBondContact OD1-N 3.15Å; D10-V13 HydrophobicContact CB-CB 4.38Å; D10-V13 WeakPolarHBondContact O-CB 3.31Å; D10-V13 WeakPolarHBondContact O-CG1 3.44Å; D10-V13 PolarHBondContact O-N 3.4Å; D10-P50 HydrophobicContact CB-CG 3.86Å; D10-R106 IonicContact OD1-CZ 2.76Å; D10-R106 IonicContact OD1-NH1 3.69Å; D10-R106 PolarHBondContact OD1-NH1 3.46Å; D10-R106 IonicContact OD2-CZ 2.67Å; D10-R106 IonicContact OD2-NH1 3.73Å; D10-R106 PolarHBondContact OD2-NH1 3.41Å
11	P	97.9	Very high	93.4	Very high	73 Å²	73	54 Å²	54	47%	0.474	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-23.3	179.6	-27.8	35.7	0	0	0	115.4	Y9	Y9-P11 HydrophobicContact CD1-CG 4.44Å; Y9-P11 HydrophobicContact CE1-CB 4.21Å; Y9-P11 HydrophobicContact CE1-CG 4.09Å
12	D	97.9	Very high	95.8	Very high	61 Å²	61	43.5 Å²	43.5	33%	0.326	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-15	-179.5	-58.9	-44.7	0	0	0	113.4	D10 G14 N15 F16 R106	D10-D12 PolarHBondContact O-N 3.19Å; D10-D12 PolarHBondContact OD1-N 3.15Å; D12-G14 PolarHBondContact O-N 2.93Å; D12-G14 VanDerWaalsContact O-N 3.15Å; D12-N15 WeakPolarHBondContact O-CB 3.45Å; D12-N15 PolarHBondContact O-N 3.09Å; D12-F16 WeakPolarHBondContact O-CE2 3.4Å; D12-R106 VanDerWaalsContact CB-CZ 3.44Å; D12-R106 IonicContact OD2-CZ 2.72Å; D12-R106 IonicContact OD2-NH1 3.42Å; D12-R106 PolarHBondContact OD2-NH1 3.35Å; D12-R106 IonicContact OD2-NH2 3.87Å; D12-R106 PolarHBondContact OD2-NH2 3.48Å
13	V	97.7	Very high	97.1	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.018	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-63.4	-26.9	-169.9	78.2	0	0	0	0	113.3	Y9 D10 F16 P26 L29 F103 A130	Y9-V13 HydrophobicContact CD2-CG1 4.33Å; Y9-V13 HydrophobicContact CE2-CG1 4.02Å; D10-V13 HydrophobicContact CB-CB 4.38Å; D10-V13 WeakPolarHBondContact O-CB 3.31Å; D10-V13 WeakPolarHBondContact O-CG1 3.44Å; D10-V13 PolarHBondContact O-N 3.4Å; V13-F16 WeakPolarHBondContact O-CD2 3.5Å; V13-P26 WeakPolarHBondContact O-CB 3.34Å; V13-L29 HydrophobicContact CB-CD1 4.39Å; V13-L29 HydrophobicContact CG1-CB 3.94Å; V13-L29 HydrophobicContact CG1-CD1 3.78Å; V13-L29 HydrophobicContact CG1-CG 4.49Å; V13-L29 HydrophobicContact CG2-CD1 3.77Å; V13-F103 HydrophobicContact CG2-CD2 4.2Å; V13-F103 HydrophobicContact CG2-CE2 3.92Å; V13-A130 HydrophobicContact CG2-CB 3.87Å
14	G	97.4	Very high	97.8	Very high	2 Å²	2	36.8 Å²	36.8	2%	0.021	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-85.6	-2.6	176.8	0	0	0	0	0	115.1	D12 H27 S30	D12-G14 PolarHBondContact O-N 2.93Å; D12-G14 VanDerWaalsContact O-N 3.15Å; G14-H27 WeakPolarHBondContact O-CA 3.5Å; G14-H27 PolarHBondContact O-ND1 3.24Å; G14-S30 WeakPolarHBondContact CA-OG 3.3Å
15	N	98.3	Very high	97.9	Very high	114 Å²	114	33.6 Å²	33.6	61%	0.61	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-90.8	-4.3	-177.6	-63	-27.6	0	0	0	113.3	D12	D12-N15 WeakPolarHBondContact O-CB 3.45Å; D12-N15 PolarHBondContact O-N 3.09Å
16	F	98.5	Very high	97.9	Very high	22 Å²	22	33.5 Å²	33.5	10%	0.096	21%	0.208	C	C	.	.			trans	-81.6	145.8	174.7	-60.5	-85.6	0	0	0	111.2	D12 V13 P26 F97 G99 E102 F103	D12-F16 WeakPolarHBondContact O-CE2 3.4Å; V13-F16 WeakPolarHBondContact O-CD2 3.5Å; F16-P26 HydrophobicContact CB-CB 4.38Å; F16-P26 HydrophobicContact CB-CG 4.19Å; F16-P26 WeakPolarHBondContact O-CD 3.21Å; F16-P26 WeakPolarHBondContact O-CG 3.34Å; F16-F97 HydrophobicContact CB-CE2 4.22Å; F16-F97 HydrophobicContact CD1-CE2 4.31Å; F16-G99 VanDerWaalsContact CE1-O 3.24Å; F16-G99 WeakPolarHBondContact CE1-O 3.37Å; F16-E102 HydrophobicContact CE1-CB 4.09Å; F16-E102 HydrophobicContact CE1-CG 4.32Å; F16-E102 HydrophobicContact CZ-CB 4.08Å; F16-E102 HydrophobicContact CZ-CG 3.83Å; F16-F103 HydrophobicContact CB-CB 4.41Å; F16-F103 HydrophobicContact CB-CD2 4.06Å; F16-F103 HydrophobicContact CB-CG 4.36Å; F16-F103 HydrophobicContact CD1-CB 3.9Å; F16-F103 HydrophobicContact CD2-CB 4.07Å; F16-F103 AromaticContact CD2-CD2 3.62Å; F16-F103 HydrophobicContact CD2-CD2 3.62Å; F16-F103 HydrophobicContact CD2-CG 4.26Å; F16-F103 HydrophobicContact CE1-CB 4.17Å; F16-F103 HydrophobicContact CE2-CB 4.33Å; F16-F103 HydrophobicContact CE2-CD2 4.28Å; F16-F103 HydrophobicContact CG-CB 3.85Å; F16-F103 AromaticContact CG-CD2 3.91Å; F16-F103 HydrophobicContact CG-CD2 3.91Å; F16-F103 HydrophobicContact CG-CG 4.18Å; F16-F103 HydrophobicContact CZ-CB 4.38Å
17	H	98.1	Very high	97.9	Very high	103 Å²	103	36 Å²	36	48%	0.477	22%	0.22	S	C	.	.			trans	-138.6	115.8	-178.3	-172	-91.1	0	0	0	111	G19 K25	H17-G19 PolarHBondContact CE1-O 3.34Å; H17-G19 PolarHBondContact ND1-N 3.15Å; H17-G19 PolarHBondContact O-N 3.23Å; H17-K25 PolarHBondContact NE2-NZ 3.45Å; H17-K25 VanDerWaalsContact NE2-NZ 3.14Å
18	Y	97.9	Very high	97.9	Very high	4 Å²	4	36 Å²	36	2%	0.016	22%	0.22	C	C	.	.			trans	-63.8	-24.6	-175	-86.6	-125.1	0	0	0	113.8	H22 M24 P26 P95 F97 F103 F144 Y146	Y18-H22 WeakPolarHBondContact CB-ND1 3.41Å; Y18-H22 AromaticContact CD1-CE1 3.35Å; Y18-H22 WeakPolarHBondContact CD1-CE1 3.2Å; Y18-H22 AromaticContact CD1-ND1 3.61Å; Y18-H22 AromaticContact CD1-NE2 3.79Å; Y18-H22 AromaticContact CG-ND1 3.83Å; Y18-M24 HydrophobicContact CD1-CB 3.99Å; Y18-M24 HydrophobicContact CD1-CG 4.16Å; Y18-M24 HydrophobicContact CD2-CB 4.35Å; Y18-M24 HydrophobicContact CD2-CG 3.9Å; Y18-M24 HydrophobicContact CE1-CB 4.05Å; Y18-M24 HydrophobicContact CE1-CG 3.86Å; Y18-M24 HydrophobicContact CE2-CB 4.42Å; Y18-M24 HydrophobicContact CE2-CG 3.59Å; Y18-M24 HydrophobicContact CG-CB 4.14Å; Y18-M24 HydrophobicContact CG-CG 4.18Å; Y18-P26 HydrophobicContact CD2-CG 3.93Å; Y18-P26 HydrophobicContact CE2-CG 3.85Å; Y18-P95 HydrophobicContact CD1-CG 4.11Å; Y18-P95 WeakPolarHBondContact O-CG 3.48Å; Y18-F97 HydrophobicContact CD1-CE1 4.17Å; Y18-F97 HydrophobicContact CD2-CD1 4.41Å; Y18-F97 AromaticContact CD2-CE1 3.89Å; Y18-F97 HydrophobicContact CD2-CE1 3.89Å; Y18-F97 HydrophobicContact CD2-CZ 4.03Å; Y18-F97 HydrophobicContact CE1-CE1 4.21Å; Y18-F97 AromaticContact CE2-CE1 3.9Å; Y18-F97 HydrophobicContact CE2-CE1 3.9Å; Y18-F97 AromaticContact CE2-CZ 3.84Å; Y18-F97 HydrophobicContact CE2-CZ 3.84Å; Y18-F97 HydrophobicContact CG-CD1 4.27Å; Y18-F97 HydrophobicContact CG-CE1 4.03Å; Y18-F103 HydrophobicContact CE2-CD1 4.23Å; Y18-F103 AromaticContact CE2-CE1 3.84Å; Y18-F103 HydrophobicContact CE2-CE1 3.84Å; Y18-F103 HydrophobicContact CE2-CZ 4.41Å; Y18-F103 WeakPolarHBondContact OH-CE1 3.38Å; Y18-F144 HydrophobicContact CE1-CB 4.1Å; Y18-F144 PolarHBondContact OH-O 3.14Å; Y18-Y146 AromaticContact CE1-CE2 3.76Å; Y18-Y146 HydrophobicContact CE1-CE2 3.76Å; Y18-Y146 AromaticContact CZ-CE2 3.87Å
19	G	96.5	Very high	97.9	Very high	25 Å²	25	36.1 Å²	36.1	26%	0.258	22%	0.221	S	C	.	.			trans	141	163.1	-177.7	0	0	0	0	0	112.7	H17 H22 K25	H17-G19 PolarHBondContact CE1-O 3.34Å; H17-G19 PolarHBondContact ND1-N 3.15Å; H17-G19 PolarHBondContact O-N 3.23Å; G19-H22 PolarHBondContact O-N 2.76Å; G19-K25 PolarHBondContact O-NZ 3.28Å
20	A	96.1	Very high	97.9	Very high	104 Å²	104	34.9 Å²	34.9	86%	0.86	22%	0.217	S	C	*	.	S	Bend	trans	-60.9	139	175.3	0	0	0	0	0	110.1	H22	A20-H22 PolarHBondContact O-N 2.72Å
21	G	95.2	Very high	97.9	Very high	58 Å²	58	34.7 Å²	34.7	60%	0.598	22%	0.216	S	C	*	.	S	Bend	trans	77.9	-28.6	-179.2	0	0	0	0	0	115.8	R265	G21-R265 PolarHBondContact O-NH2 3.18Å
22	H	98.2	Very high	97.9	Very high	19 Å²	19	31.2 Å²	31.2	9%	0.088	19%	0.193	C	C	.	.			trans	-58.3	133.6	-176.1	-163.6	-79.1	0	0	0	112.5	Y18 G19 A20 M24 K25 D93 F144	Y18-H22 WeakPolarHBondContact CB-ND1 3.41Å; Y18-H22 AromaticContact CD1-CE1 3.35Å; Y18-H22 WeakPolarHBondContact CD1-CE1 3.2Å; Y18-H22 AromaticContact CD1-ND1 3.61Å; Y18-H22 AromaticContact CD1-NE2 3.79Å; Y18-H22 AromaticContact CG-ND1 3.83Å; G19-H22 PolarHBondContact O-N 2.76Å; A20-H22 PolarHBondContact O-N 2.72Å; H22-M24 VanDerWaalsContact CE1-CB 3.48Å; H22-M24 WeakPolarHBondContact CE1-CB 3.48Å; H22-M24 WeakPolarHBondContact ND1-CB 3.34Å; H22-M24 PolarHBondContact ND1-N 3.28Å; H22-M24 VanDerWaalsContact ND1-N 3.11Å; H22-K25 WeakPolarHBondContact O-CE 3.34Å; H22-K25 PolarHBondContact O-NZ 3.5Å; H22-D93 PolarHBondContact NE2-O 3.12Å; H22-F144 AromaticContact CE1-CD1 3.5Å; H22-F144 AromaticContact CE1-CE1 3.79Å; H22-F144 AromaticContact CE1-CG 3.77Å; H22-F144 AromaticContact NE2-CD1 3.51Å; H22-F144 AromaticContact NE2-CE1 3.67Å
23	P	97.4	Very high	98	Very high	19 Å²	19	29.4 Å²	29.4	12%	0.123	18%	0.183	C	C	.	.	S	Bend	trans	-74.1	-35	-174.9	28.8	-35.6	0	0	0	113.9	K25 F144 L266 Y298	P23-K25 PolarHBondContact O-N 2.89Å; P23-F144 HydrophobicContact CG-CE1 4.33Å; P23-F144 HydrophobicContact CG-CE2 3.75Å; P23-F144 HydrophobicContact CG-CZ 3.51Å; P23-L266 HydrophobicContact CB-CD1 4.04Å; P23-L266 HydrophobicContact CB-CD2 4.44Å; P23-L266 HydrophobicContact CB-CG 4.41Å; P23-L266 HydrophobicContact CG-CD1 3.95Å; P23-Y298 HydrophobicContact CB-CD1 3.92Å; P23-Y298 HydrophobicContact CB-CG 4.33Å
24	M	98.3	Very high	98	Very high	7 Å²	7	29.6 Å²	29.6	3%	0.034	18%	0.184	C	C	.	.			trans	-64.4	118.5	174.9	-179.9	54.7	75.1	0	0	110.9	Y18 H22 F144 Y298	Y18-M24 HydrophobicContact CD1-CB 3.99Å; Y18-M24 HydrophobicContact CD1-CG 4.16Å; Y18-M24 HydrophobicContact CD2-CB 4.35Å; Y18-M24 HydrophobicContact CD2-CG 3.9Å; Y18-M24 HydrophobicContact CE1-CB 4.05Å; Y18-M24 HydrophobicContact CE1-CG 3.86Å; Y18-M24 HydrophobicContact CE2-CB 4.42Å; Y18-M24 HydrophobicContact CE2-CG 3.59Å; Y18-M24 HydrophobicContact CG-CB 4.14Å; Y18-M24 HydrophobicContact CG-CG 4.18Å; H22-M24 VanDerWaalsContact CE1-CB 3.48Å; H22-M24 WeakPolarHBondContact CE1-CB 3.48Å; H22-M24 WeakPolarHBondContact ND1-CB 3.34Å; H22-M24 PolarHBondContact ND1-N 3.28Å; H22-M24 VanDerWaalsContact ND1-N 3.11Å; M24-F144 HydrophobicContact CB-CB 4.4Å; M24-F144 HydrophobicContact CB-CD2 4.25Å; M24-F144 HydrophobicContact CB-CG 4.4Å; M24-F144 HydrophobicContact CE-CB 4.46Å; M24-F144 HydrophobicContact CE-CD2 4.44Å; M24-Y298 HydrophobicContact CE-CE1 4.12Å
25	K	98.5	Very high	98.1	Very high	45 Å²	45	29.5 Å²	29.5	20%	0.196	18%	0.183	C	C	.	.			trans	-124.7	96.5	178.1	-60.6	-56.6	180	-162.5	0	109.9	H17 G19 H22 P23 H27 R28 V300	H17-K25 PolarHBondContact NE2-NZ 3.45Å; H17-K25 VanDerWaalsContact NE2-NZ 3.14Å; G19-K25 PolarHBondContact O-NZ 3.28Å; H22-K25 WeakPolarHBondContact O-CE 3.34Å; H22-K25 PolarHBondContact O-NZ 3.5Å; P23-K25 PolarHBondContact O-N 2.89Å; K25-H27 PolarHBondContact O-N 2.85Å; K25-R28 WeakPolarHBondContact O-CD 3.47Å; K25-R28 VanDerWaalsContact O-CG 3.25Å; K25-R28 WeakPolarHBondContact O-CG 3.47Å; K25-R28 PolarHBondContact O-N 2.7Å; K25-R28 VanDerWaalsContact O-N 3.07Å; K25-V300 HydrophobicContact CB-CG2 3.98Å; K25-V300 HydrophobicContact CG-CG2 4.22Å
26	P	98.5	Very high	98.1	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-27.2	176.4	-29.9	37.2	0	0	0	113.9	V13 F16 Y18 R28 L29 F103	V13-P26 WeakPolarHBondContact O-CB 3.34Å; F16-P26 HydrophobicContact CB-CB 4.38Å; F16-P26 HydrophobicContact CB-CG 4.19Å; F16-P26 WeakPolarHBondContact O-CD 3.21Å; F16-P26 WeakPolarHBondContact O-CG 3.34Å; Y18-P26 HydrophobicContact CD2-CG 3.93Å; Y18-P26 HydrophobicContact CE2-CG 3.85Å; P26-R28 PolarHBondContact O-N 3.02Å; P26-L29 WeakPolarHBondContact O-CB 3.47Å; P26-L29 VanDerWaalsContact O-CG 3.23Å; P26-L29 WeakPolarHBondContact O-CG 3.26Å; P26-L29 PolarHBondContact O-N 2.69Å; P26-F103 HydrophobicContact CB-CE2 3.86Å; P26-F103 HydrophobicContact CB-CZ 4.26Å; P26-F103 HydrophobicContact CG-CE2 3.94Å; P26-F103 HydrophobicContact CG-CZ 3.97Å
27	H	98.6	Very high	98.1	Very high	52 Å²	52	26.1 Å²	26.1	24%	0.241	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-22.8	176.2	-159.4	62.7	0	0	0	115.2	G14 K25 L29 S30 L31 Y328	G14-H27 WeakPolarHBondContact O-CA 3.5Å; G14-H27 PolarHBondContact O-ND1 3.24Å; K25-H27 PolarHBondContact O-N 2.85Å; H27-L29 PolarHBondContact O-N 3.09Å; H27-L29 VanDerWaalsContact O-N 3.12Å; H27-S30 PolarHBondContact O-N 3.4Å; H27-L31 WeakPolarHBondContact CD2-CD1 3.42Å; H27-L31 VanDerWaalsContact O-CD1 3.27Å; H27-L31 WeakPolarHBondContact O-CD1 3.32Å; H27-L31 PolarHBondContact O-N 3.27Å; H27-Y328 AromaticContact CE1-CE1 3.73Å; H27-Y328 AromaticContact CE1-CZ 3.83Å; H27-Y328 PolarHBondContact CE1-OH 3.03Å; H27-Y328 AromaticContact NE2-CD1 3.98Å; H27-Y328 AromaticContact NE2-CE1 3.27Å; H27-Y328 VanDerWaalsContact NE2-CE1 3.27Å; H27-Y328 WeakPolarHBondContact NE2-CE1 2.77Å; H27-Y328 AromaticContact NE2-CZ 3.77Å
28	R	98.8	Very high	98.2	Very high	5 Å²	5	24.8 Å²	24.8	2%	0.019	16%	0.159	C	C	.	.	H	α-helix	trans	-54.5	-28.2	171.1	72.4	-162.1	173.8	115.9	5.1	113	K25 P26 L31 T32 G295 G296 V300 V303 W307	K25-R28 WeakPolarHBondContact O-CD 3.47Å; K25-R28 VanDerWaalsContact O-CG 3.25Å; K25-R28 WeakPolarHBondContact O-CG 3.47Å; K25-R28 PolarHBondContact O-N 2.7Å; K25-R28 VanDerWaalsContact O-N 3.07Å; P26-R28 PolarHBondContact O-N 3.02Å; R28-L31 PolarHBondContact O-N 2.88Å; R28-T32 PolarHBondContact O-N 3.27Å; R28-T32 PolarHBondContact O-OG1 3.36Å; R28-G295 PolarHBondContact NH1-O 3.32Å; R28-G295 PolarHBondContact NH2-O 2.79Å; R28-G296 PolarHBondContact NH1-O 2.98Å; R28-V300 HydrophobicContact CB-CB 4.49Å; R28-V300 HydrophobicContact CB-CG1 3.83Å; R28-V303 HydrophobicContact CB-CB 4.46Å; R28-V303 HydrophobicContact CB-CG1 4.3Å; R28-V303 HydrophobicContact CG-CG1 4.18Å; R28-W307 HydrophobicContact CG-CZ3 4.24Å
29	L	98.8	Very high	98.2	Very high	6 Å²	6	26.4 Å²	26.4	3%	0.031	17%	0.166	C	C	.	.	H	α-helix	trans	-68.7	-41.2	176.3	-59.2	168.7	0	0	0	111.8	V13 P26 H27 T32 H33 W129 A130 W307	V13-L29 HydrophobicContact CB-CD1 4.39Å; V13-L29 HydrophobicContact CG1-CB 3.94Å; V13-L29 HydrophobicContact CG1-CD1 3.78Å; V13-L29 HydrophobicContact CG1-CG 4.49Å; V13-L29 HydrophobicContact CG2-CD1 3.77Å; P26-L29 WeakPolarHBondContact O-CB 3.47Å; P26-L29 VanDerWaalsContact O-CG 3.23Å; P26-L29 WeakPolarHBondContact O-CG 3.26Å; P26-L29 PolarHBondContact O-N 2.69Å; H27-L29 PolarHBondContact O-N 3.09Å; H27-L29 VanDerWaalsContact O-N 3.12Å; L29-T32 PolarHBondContact O-N 3.2Å; L29-H33 WeakPolarHBondContact O-CB 3.27Å; L29-H33 PolarHBondContact O-N 2.85Å; L29-W129 VanDerWaalsContact CD2-C 3.42Å; L29-W129 HydrophobicContact CD2-CB 4Å; L29-W129 WeakPolarHBondContact CD2-O 3.39Å; L29-A130 HydrophobicContact CD1-CB 3.78Å; L29-A130 HydrophobicContact CD2-CB 4.24Å; L29-W307 HydrophobicContact CD2-CH2 4.33Å; L29-W307 HydrophobicContact CD2-CZ3 3.64Å
30	S	98.7	Very high	98.3	Very high	5 Å²	5	26 Å²	26	4%	0.035	16%	0.162	C	C	.	.	H	α-helix	trans	-66.1	-38.8	175.1	-62.9	0	0	0	0	111.9	G14 H27 H33 S34	G14-S30 WeakPolarHBondContact CA-OG 3.3Å; H27-S30 PolarHBondContact O-N 3.4Å; S30-H33 PolarHBondContact O-N 2.8Å; S30-S34 WeakPolarHBondContact O-CB 3.38Å; S30-S34 PolarHBondContact O-N 3.46Å
31	L	98.8	Very high	98.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64	-45.4	174.2	-84.7	74.9	0	0	0	111.4	H27 R28 H33 S34 L35 V300 A304 Y328 Y331 F332	H27-L31 WeakPolarHBondContact CD2-CD1 3.42Å; H27-L31 VanDerWaalsContact O-CD1 3.27Å; H27-L31 WeakPolarHBondContact O-CD1 3.32Å; H27-L31 PolarHBondContact O-N 3.27Å; R28-L31 PolarHBondContact O-N 2.88Å; L31-H33 PolarHBondContact O-N 2.92Å; L31-S34 PolarHBondContact O-N 2.92Å; L31-L35 PolarHBondContact O-N 3.39Å; L31-V300 HydrophobicContact CD2-CG1 3.97Å; L31-A304 HydrophobicContact CB-CB 3.66Å; L31-Y328 HydrophobicContact CD1-CD1 3.98Å; L31-Y328 HydrophobicContact CD1-CD2 4.19Å; L31-Y328 HydrophobicContact CD1-CE1 4.24Å; L31-Y328 HydrophobicContact CD1-CE2 4.43Å; L31-Y328 HydrophobicContact CD1-CG 3.95Å; L31-Y328 HydrophobicContact CG-CD1 4.31Å; L31-Y328 HydrophobicContact CG-CD2 4.02Å; L31-Y328 HydrophobicContact CG-CG 3.82Å; L31-Y331 HydrophobicContact CD2-CD1 3.78Å; L31-Y331 HydrophobicContact CD2-CE1 4.41Å; L31-Y331 HydrophobicContact CD2-CG 3.9Å; L31-F332 HydrophobicContact CD2-CZ 4.1Å
32	T	98.9	Very high	98.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-58.4	-49.3	176.2	-53.3	0	0	0	0	110.6	R28 L29 S34 L35 V36 W129 A304 W307	R28-T32 PolarHBondContact O-N 3.27Å; R28-T32 PolarHBondContact O-OG1 3.36Å; L29-T32 PolarHBondContact O-N 3.2Å; T32-S34 PolarHBondContact O-N 3.34Å; T32-L35 PolarHBondContact O-N 3.28Å; T32-V36 HydrophobicContact CG2-CG2 4.46Å; T32-V36 WeakPolarHBondContact O-CB 3.15Å; T32-V36 VanDerWaalsContact O-CG2 3.29Å; T32-V36 WeakPolarHBondContact O-CG2 3.41Å; T32-V36 PolarHBondContact O-N 3.33Å; T32-W129 HydrophobicContact CG2-CG 4.41Å; T32-A304 WeakPolarHBondContact OG1-CA 3.47Å; T32-W307 HydrophobicContact CG2-CB 3.61Å; T32-W307 HydrophobicContact CG2-CE3 4.34Å
33	H	98.8	Very high	98.5	Very high	23 Å²	23	29 Å²	29	11%	0.106	14%	0.137	C	C	.	.	H	α-helix	trans	-62.6	-43.9	179.6	-173	65.4	0	0	0	112.4	Y7 Y9 L29 S30 L31 L35 V36 L37	Y7-H33 AromaticContact CE1-CE1 3.93Å; Y7-H33 AromaticContact CE1-ND1 3.44Å; Y7-H33 WeakPolarHBondContact CE1-ND1 3.33Å; Y7-H33 AromaticContact CZ-ND1 3.85Å; Y7-H33 PolarHBondContact OH-ND1 2.8Å; Y9-H33 HydrophobicContact CD1-CB 4.33Å; Y9-H33 AromaticContact CD1-CD2 3.36Å; Y9-H33 WeakPolarHBondContact CD1-CD2 3.32Å; Y9-H33 AromaticContact CD1-CE1 3.41Å; Y9-H33 VanDerWaalsContact CD1-CE1 3.41Å; Y9-H33 WeakPolarHBondContact CD1-CE1 3.35Å; Y9-H33 AromaticContact CD1-CG 3.5Å; Y9-H33 VanDerWaalsContact CD1-CG 3.5Å; Y9-H33 AromaticContact CD1-ND1 3.54Å; Y9-H33 AromaticContact CD1-NE2 3.28Å; Y9-H33 VanDerWaalsContact CD1-NE2 3.28Å; Y9-H33 WeakPolarHBondContact CD1-NE2 3.38Å; Y9-H33 HydrophobicContact CD2-CB 3.74Å; Y9-H33 AromaticContact CD2-CG 3.74Å; Y9-H33 AromaticContact CD2-ND1 3.94Å; Y9-H33 HydrophobicContact CE1-CB 4.1Å; Y9-H33 AromaticContact CE1-CD2 3.07Å; Y9-H33 WeakPolarHBondContact CE1-CD2 3.27Å; Y9-H33 AromaticContact CE1-CE1 3.98Å; Y9-H33 AromaticContact CE1-CG 3.47Å; Y9-H33 VanDerWaalsContact CE1-CG 3.47Å; Y9-H33 AromaticContact CE1-NE2 3.42Å; Y9-H33 WeakPolarHBondContact CE1-NE2 3.18Å; Y9-H33 HydrophobicContact CE2-CB 3.48Å; Y9-H33 VanDerWaalsContact CE2-CB 3.48Å; Y9-H33 AromaticContact CE2-CG 3.73Å; Y9-H33 HydrophobicContact CG-CB 4.15Å; Y9-H33 AromaticContact CG-CD2 3.99Å; Y9-H33 AromaticContact CG-CE1 3.75Å; Y9-H33 AromaticContact CG-CG 3.61Å; Y9-H33 AromaticContact CG-ND1 3.48Å; Y9-H33 AromaticContact CZ-CD2 3.51Å; Y9-H33 AromaticContact CZ-CG 3.59Å; L29-H33 WeakPolarHBondContact O-CB 3.27Å; L29-H33 PolarHBondContact O-N 2.85Å; S30-H33 PolarHBondContact O-N 2.8Å; L31-H33 PolarHBondContact O-N 2.92Å; H33-L35 VanDerWaalsContact C-N 3.35Å; H33-L35 PolarHBondContact O-N 2.92Å; H33-V36 PolarHBondContact O-N 2.94Å; H33-L37 WeakPolarHBondContact NE2-CD1 3.39Å; H33-L37 WeakPolarHBondContact O-CG 3.32Å; H33-L37 PolarHBondContact O-N 3.14Å
34	S	98.8	Very high	98.5	Very high	7 Å²	7	34 Å²	34	5%	0.049	16%	0.157	C	C	.	.	H	α-helix	trans	-59.9	-44.1	177.6	179.1	0	0	0	0	111.3	S30 L31 T32 L37 H38 S326 E327	S30-S34 WeakPolarHBondContact O-CB 3.38Å; S30-S34 PolarHBondContact O-N 3.46Å; L31-S34 PolarHBondContact O-N 2.92Å; T32-S34 PolarHBondContact O-N 3.34Å; S34-L37 PolarHBondContact O-N 3.06Å; S34-H38 WeakPolarHBondContact O-CB 3.43Å; S34-H38 PolarHBondContact O-N 3.14Å; S34-H38 PolarHBondContact O-ND1 3Å; S34-H38 PolarHBondContact OG-CE1 2.86Å; S34-H38 PolarHBondContact OG-ND1 3.15Å; S34-S326 WeakPolarHBondContact OG-CB 3.42Å; S34-E327 PolarHBondContact OG-OE2 2.95Å
35	L	98.8	Very high	98.5	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-63.1	-46.8	175	-74	-175.5	0	0	0	112.5	L31 T32 H33 L37 H38 Y39 A304 T308 L323 F332	L31-L35 PolarHBondContact O-N 3.39Å; T32-L35 PolarHBondContact O-N 3.28Å; H33-L35 VanDerWaalsContact C-N 3.35Å; H33-L35 PolarHBondContact O-N 2.92Å; L35-L37 PolarHBondContact O-N 3.01Å; L35-H38 PolarHBondContact O-N 3.36Å; L35-Y39 WeakPolarHBondContact O-CB 3.39Å; L35-Y39 WeakPolarHBondContact O-CD2 3.05Å; L35-Y39 PolarHBondContact O-N 3.38Å; L35-A304 HydrophobicContact CD1-CB 4.19Å; L35-T308 HydrophobicContact CB-CG2 3.92Å; L35-T308 VanDerWaalsContact CB-OG1 3.32Å; L35-T308 WeakPolarHBondContact CB-OG1 3.45Å; L35-L323 HydrophobicContact CD1-CD2 4.34Å; L35-L323 HydrophobicContact CD2-CD2 4.17Å; L35-F332 HydrophobicContact CD1-CE1 3.99Å; L35-F332 HydrophobicContact CD1-CE2 4.24Å; L35-F332 HydrophobicContact CD1-CZ 3.59Å; L35-F332 HydrophobicContact CD2-CE2 4.05Å; L35-F332 HydrophobicContact CD2-CZ 4.24Å; L35-F332 HydrophobicContact CG-CE2 4.27Å; L35-F332 HydrophobicContact CG-CZ 4Å
36	V	98.8	Very high	98.5	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-56.3	-39.7	176.1	164.8	0	0	0	0	111.6	T32 H33 L41 M45 T308 T311	T32-V36 HydrophobicContact CG2-CG2 4.46Å; T32-V36 WeakPolarHBondContact O-CB 3.15Å; T32-V36 VanDerWaalsContact O-CG2 3.29Å; T32-V36 WeakPolarHBondContact O-CG2 3.41Å; T32-V36 PolarHBondContact O-N 3.33Å; H33-V36 PolarHBondContact O-N 2.94Å; V36-L41 HydrophobicContact CG1-CB 4.12Å; V36-L41 HydrophobicContact CG2-CD1 4.47Å; V36-L41 PolarHBondContact O-N 3.18Å; V36-L41 VanDerWaalsContact O-N 3.14Å; V36-M45 HydrophobicContact CG1-CE 3.31Å; V36-T308 HydrophobicContact CG2-CG2 4.28Å; V36-T311 HydrophobicContact CG1-CG2 4.47Å; V36-T311 HydrophobicContact CG2-CG2 4.29Å
37	L	98.6	Very high	98.5	Very high	64 Å²	64	39 Å²	39	34%	0.335	19%	0.187	S	C	.	.	H	α-helix	trans	-66.4	-50.9	174.5	-72.3	-178.2	0	0	0	112	H33 S34 L35 Y39 G40 Y42	H33-L37 WeakPolarHBondContact NE2-CD1 3.39Å; H33-L37 WeakPolarHBondContact O-CG 3.32Å; H33-L37 PolarHBondContact O-N 3.14Å; S34-L37 PolarHBondContact O-N 3.06Å; L35-L37 PolarHBondContact O-N 3.01Å; L37-Y39 VanDerWaalsContact C-N 3.34Å; L37-Y39 PolarHBondContact O-N 3.09Å; L37-G40 WeakPolarHBondContact O-CA 3.26Å; L37-G40 PolarHBondContact O-N 3.4Å; L37-Y42 HydrophobicContact CD2-CD1 3.81Å; L37-Y42 HydrophobicContact CD2-CE1 4.45Å; L37-Y42 HydrophobicContact CD2-CG 3.84Å; L37-Y42 WeakPolarHBondContact O-CD1 3.24Å; L37-Y42 VanDerWaalsContact O-CE1 3.26Å; L37-Y42 WeakPolarHBondContact O-CE1 3.42Å
38	H	98.7	Very high	98.5	Very high	75 Å²	75	39.4 Å²	39.4	35%	0.347	19%	0.188	S	C	.	.	H	α-helix	trans	-71.6	-26.6	-173.9	-73.9	91.7	0	0	0	113.3	S34 L35 G40 P324 Y325 E327	S34-H38 WeakPolarHBondContact O-CB 3.43Å; S34-H38 PolarHBondContact O-N 3.14Å; S34-H38 PolarHBondContact O-ND1 3Å; S34-H38 PolarHBondContact OG-CE1 2.86Å; S34-H38 PolarHBondContact OG-ND1 3.15Å; L35-H38 PolarHBondContact O-N 3.36Å; H38-G40 PolarHBondContact O-N 3.11Å; H38-P324 HydrophobicContact CB-CB 3.88Å; H38-P324 HydrophobicContact CB-CG 3.58Å; H38-Y325 PolarHBondContact CD2-O 3.33Å; H38-E327 IonicContact CE1-OE1 3.62Å; H38-E327 PolarHBondContact CE1-OE1 2.72Å; H38-E327 IonicContact CE1-OE2 3.82Å; H38-E327 PolarHBondContact CE1-OE2 2.89Å; H38-E327 IonicContact NE2-OE1 3.43Å
39	Y	98.8	Very high	98.4	Very high	38 Å²	38	45.9 Å²	45.9	15%	0.149	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-12.7	167.1	-87	-66.8	0	0	0	113.3	L35 L37 L41 T308 I319 S320 E322 L323 P324 L338	L35-Y39 WeakPolarHBondContact O-CB 3.39Å; L35-Y39 WeakPolarHBondContact O-CD2 3.05Å; L35-Y39 PolarHBondContact O-N 3.38Å; L37-Y39 VanDerWaalsContact C-N 3.34Å; L37-Y39 PolarHBondContact O-N 3.09Å; Y39-L41 VanDerWaalsContact C-N 3.32Å; Y39-T308 HydrophobicContact CD2-CG2 3.67Å; Y39-T308 HydrophobicContact CE2-CG2 3.97Å; Y39-I319 HydrophobicContact CD1-CB 3.79Å; Y39-I319 HydrophobicContact CD1-CD1 4.47Å; Y39-I319 HydrophobicContact CD1-CG2 3.99Å; Y39-I319 HydrophobicContact CD2-CD1 4.38Å; Y39-I319 HydrophobicContact CE1-CB 3.86Å; Y39-I319 HydrophobicContact CE1-CD1 4.41Å; Y39-I319 HydrophobicContact CE1-CG1 4.49Å; Y39-I319 HydrophobicContact CE2-CD1 4.32Å; Y39-I319 HydrophobicContact CG-CB 4.43Å; Y39-I319 HydrophobicContact CG-CD1 4.44Å; Y39-I319 HydrophobicContact CG-CG2 4.34Å; Y39-S320 WeakPolarHBondContact CE1-O 3.37Å; Y39-S320 PolarHBondContact OH-O 2.81Å; Y39-E322 PolarHBondContact OH-O 2.9Å; Y39-L323 HydrophobicContact CE2-CD2 4.02Å; Y39-L323 WeakPolarHBondContact OH-CD2 3.42Å; Y39-P324 HydrophobicContact CD1-CG 4.24Å; Y39-P324 HydrophobicContact CD2-CG 3.92Å; Y39-P324 HydrophobicContact CE1-CG 4.37Å; Y39-P324 VanDerWaalsContact CE2-CD 3.41Å; Y39-P324 HydrophobicContact CE2-CG 4.07Å; Y39-P324 HydrophobicContact CG-CG 4.02Å; Y39-L338 HydrophobicContact CE2-CD1 4.39Å
40	G	98.5	Very high	98.3	Very high	18 Å²	18	46.2 Å²	46.2	19%	0.186	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	10.8	-179.1	0	0	0	0	0	114.6	L37 H38 Y42 K43	L37-G40 WeakPolarHBondContact O-CA 3.26Å; L37-G40 PolarHBondContact O-N 3.4Å; H38-G40 PolarHBondContact O-N 3.11Å; G40-Y42 PolarHBondContact O-N 2.92Å; G40-K43 WeakPolarHBondContact O-CB 3.44Å; G40-K43 WeakPolarHBondContact O-CG 3.36Å; G40-K43 PolarHBondContact O-N 3.39Å; G40-K43 VanDerWaalsContact O-N 3.13Å
41	L	98.5	Very high	97.9	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-61.8	-31.8	-179.1	-67	178.7	0	0	0	112.3	V36 Y39 K43 K44 T308 T311 L315 E317 I319	V36-L41 HydrophobicContact CG1-CB 4.12Å; V36-L41 HydrophobicContact CG2-CD1 4.47Å; V36-L41 PolarHBondContact O-N 3.18Å; V36-L41 VanDerWaalsContact O-N 3.14Å; Y39-L41 VanDerWaalsContact C-N 3.32Å; L41-K43 PolarHBondContact O-N 2.75Å; L41-K44 WeakPolarHBondContact O-CB 3.46Å; L41-K44 PolarHBondContact O-N 2.92Å; L41-T308 HydrophobicContact CD1-CG2 4.4Å; L41-T311 HydrophobicContact CD1-CG2 4.14Å; L41-L315 HydrophobicContact CB-CD1 3.9Å; L41-L315 HydrophobicContact CD2-CD1 4.12Å; L41-L315 HydrophobicContact CG-CD1 4.47Å; L41-E317 HydrophobicContact CD2-CB 3.99Å; L41-E317 HydrophobicContact CD2-CG 3.97Å; L41-I319 HydrophobicContact CD2-CG2 3.79Å; L41-I319 HydrophobicContact CG-CG2 4.4Å
42	Y	97.8	Very high	97.9	Very high	94 Å²	94	53.7 Å²	53.7	37%	0.369	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-55.3	-24	175.6	75.2	-86.2	0	0	0	114	L37 G40 K44 M45	L37-Y42 HydrophobicContact CD2-CD1 3.81Å; L37-Y42 HydrophobicContact CD2-CE1 4.45Å; L37-Y42 HydrophobicContact CD2-CG 3.84Å; L37-Y42 WeakPolarHBondContact O-CD1 3.24Å; L37-Y42 VanDerWaalsContact O-CE1 3.26Å; L37-Y42 WeakPolarHBondContact O-CE1 3.42Å; G40-Y42 PolarHBondContact O-N 2.92Å; Y42-K44 PolarHBondContact O-N 2.9Å; Y42-M45 VanDerWaalsContact O-O 3.05Å
43	K	97.8	Very high	97.8	Very high	149 Å²	149	53.8 Å²	53.8	65%	0.648	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-71.5	-12.6	178.2	-60	175.9	-178	172.8	0	112.9	G40 L41	G40-K43 WeakPolarHBondContact O-CB 3.44Å; G40-K43 WeakPolarHBondContact O-CG 3.36Å; G40-K43 PolarHBondContact O-N 3.39Å; G40-K43 VanDerWaalsContact O-N 3.13Å; L41-K43 PolarHBondContact O-N 2.75Å
44	K	97.8	Very high	97.8	Very high	122 Å²	122	54.6 Å²	54.6	53%	0.53	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-110.1	3.5	-175.4	-56.5	-69.4	-173	148.2	0	112.9	L41 Y42 L315 E317	L41-K44 WeakPolarHBondContact O-CB 3.46Å; L41-K44 PolarHBondContact O-N 2.92Å; Y42-K44 PolarHBondContact O-N 2.9Å; K44-L315 HydrophobicContact CB-CD1 4.26Å; K44-L315 HydrophobicContact CB-CD2 4.29Å; K44-E317 VanDerWaalsContact CE-OE2 3.24Å; K44-E317 WeakPolarHBondContact CE-OE2 3.39Å; K44-E317 IonicContact NZ-OE2 2.83Å; K44-E317 PolarHBondContact NZ-OE2 2.73Å
45	M	97.9	Very high	97.8	Very high	19 Å²	19	57.3 Å²	57.3	9%	0.094	27%	0.27	C	S	.	.	S	Bend	trans	-141.4	160.1	-177.2	58.2	-172.8	-172.9	0	0	111.7	T5 Y7 V36 Y42 V47 T311 L315	T5-M45 HydrophobicContact CG2-CB 4.26Å; T5-M45 WeakPolarHBondContact O-CA 3.44Å; T5-M45 WeakPolarHBondContact O-CB 3.25Å; Y7-M45 WeakPolarHBondContact CB-SD 3.39Å; Y7-M45 HydrophobicContact CD1-CE 3.81Å; Y7-M45 HydrophobicContact CD2-CE 3.85Å; Y7-M45 HydrophobicContact CD2-SD 4.05Å; Y7-M45 HydrophobicContact CE1-CE 4.34Å; Y7-M45 HydrophobicContact CE2-CE 4.38Å; Y7-M45 HydrophobicContact CG-CE 3.54Å; Y7-M45 HydrophobicContact CG-SD 3.8Å; V36-M45 HydrophobicContact CG1-CE 3.31Å; Y42-M45 VanDerWaalsContact O-O 3.05Å; M45-V47 HydrophobicContact CE-CG2 4.12Å; M45-V47 HydrophobicContact CG-CG2 4.15Å; M45-T311 HydrophobicContact CE-CG2 4.41Å; M45-T311 HydrophobicContact SD-CG2 4.13Å; M45-L315 HydrophobicContact CB-CD2 3.91Å; M45-L315 HydrophobicContact SD-CD1 4.05Å
46	M	98.3	Very high	97.7	Very high	75 Å²	75	64.4 Å²	64.4	37%	0.369	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	110.6	173.2	-63.1	178.1	-67	0	0	108.8	R4 T5 S6 Y7 F48 C123	R4-M46 HydrophobicContact CB-CE 4.47Å; T5-M46 PolarHBondContact O-N 2.78Å; S6-M46 CarbonylContact C-O 3.59Å; S6-M46 WeakPolarHBondContact CA-O 3.49Å; Y7-M46 PolarHBondContact N-O 2.82Å; M46-F48 HydrophobicContact CB-CD2 4.3Å; M46-F48 HydrophobicContact CB-CE2 3.47Å; M46-F48 VanDerWaalsContact CB-CE2 3.47Å; M46-F48 HydrophobicContact CB-CZ 3.99Å; M46-F48 WeakPolarHBondContact O-CD2 3.43Å; M46-C123 HydrophobicContact CE-CB 4.38Å
47	V	98.3	Very high	97.7	Very high	66 Å²	66	64.6 Å²	64.6	40%	0.4	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	123.9	-179.9	-179.3	0	0	0	0	109.9	Y7 M45	Y7-V47 HydrophobicContact CD1-CG1 4.19Å; Y7-V47 HydrophobicContact CD1-CG2 4.33Å; Y7-V47 CarbonylContact O-C 3.58Å; Y7-V47 WeakPolarHBondContact O-CA 3.49Å; M45-V47 HydrophobicContact CE-CG2 4.12Å; M45-V47 HydrophobicContact CG-CG2 4.15Å
48	F	98.4	Very high	97.7	Very high	60 Å²	60	61.6 Å²	61.6	26%	0.263	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136.2	179.6	-66	-87.3	0	0	0	110.8	S6 Y7 F8 Y9 M46	S6-F48 WeakPolarHBondContact OG-CE2 3.41Å; Y7-F48 PolarHBondContact O-N 3.35Å; F8-F48 WeakPolarHBondContact CA-O 3.3Å; F8-F48 HydrophobicContact CD1-CB 3.64Å; F8-F48 HydrophobicContact CD1-CD2 4.47Å; F8-F48 HydrophobicContact CD1-CG 4.35Å; F8-F48 HydrophobicContact CE1-CB 3.78Å; F8-F48 AromaticContact CE1-CD2 3.97Å; F8-F48 HydrophobicContact CE1-CD2 3.97Å; F8-F48 AromaticContact CE1-CG 4Å; F8-F48 HydrophobicContact CE1-CG 4Å; F8-F48 HydrophobicContact CZ-CD2 4.36Å; Y9-F48 PolarHBondContact N-O 2.99Å; M46-F48 HydrophobicContact CB-CD2 4.3Å; M46-F48 HydrophobicContact CB-CE2 3.47Å; M46-F48 VanDerWaalsContact CB-CE2 3.47Å; M46-F48 HydrophobicContact CB-CZ 3.99Å; M46-F48 WeakPolarHBondContact O-CD2 3.43Å
49	K	97.9	Very high	97.7	Very high	141 Å²	141	59.6 Å²	59.6	61%	0.613	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-75.4	120.3	156.5	-173.9	178.5	-178	-179.4	0	107.3
50	P	94.6	Very high	97.6	Very high	13 Å²	13	61.4 Å²	61.4	8%	0.084	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-74.6	157.2	-169	28.9	-34.9	0	0	0	113.2	F8 Y9 D10 A110	F8-P50 HydrophobicContact CB-CB 4.33Å; F8-P50 HydrophobicContact CD1-CB 4.37Å; Y9-P50 VanDerWaalsContact C-CD 3.43Å; Y9-P50 WeakPolarHBondContact O-CD 3.28Å; D10-P50 HydrophobicContact CB-CG 3.86Å; P50-A110 HydrophobicContact CB-CB 3.53Å; P50-A110 HydrophobicContact CG-CB 3.93Å
51	Y	91.6	Very high	97.6	Very high	74 Å²	74	61.6 Å²	61.6	29%	0.29	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-57.4	150.5	162.2	169.1	-111.8	0	0	0	111.1	A53 D57 G109 L385	Y51-A53 HydrophobicContact CE1-CB 4.47Å; Y51-D57 VanDerWaalsContact CE1-OD2 3.32Å; Y51-D57 WeakPolarHBondContact CE1-OD2 3.46Å; Y51-D57 PolarHBondContact OH-OD2 3.32Å; Y51-G109 CarbonylContact O-C 3.58Å; Y51-G109 VanDerWaalsContact O-CA 3.25Å; Y51-G109 WeakPolarHBondContact O-CA 3.48Å; Y51-L385 HydrophobicContact CD1-CD2 4.34Å; Y51-L385 HydrophobicContact CD2-CD2 4.28Å; Y51-L385 HydrophobicContact CG-CD2 4.19Å
52	K	97.9	Very high	97.6	Very high	88 Å²	88	61.8 Å²	61.8	38%	0.383	29%	0.285	S	S	.	.			trans	-98.4	112.9	172.2	-75.3	-170	-178.7	-169.5	0	108.6	S54 E102 S105 R106	K52-S54 PolarHBondContact O-N 3.02Å; K52-E102 IonicContact NZ-OE1 3.94Å; K52-E102 PolarHBondContact NZ-OE1 3.42Å; K52-S105 WeakPolarHBondContact CB-OG 3.42Å; K52-R106 VanDerWaalsContact CE-CZ 3.41Å; K52-R106 HydrophobicContact CG-CG 4.29Å; K52-R106 VanDerWaalsContact NZ-CZ 3.31Å; K52-R106 VanDerWaalsContact NZ-NH2 3.13Å
53	A	98.3	Very high	97.7	Very high	2 Å²	2	58 Å²	58	2%	0.017	27%	0.273	C	S	.	.			trans	-60.5	133.5	-178.9	0	0	0	0	0	111.9	Y51 D57 M58 S105 T108	Y51-A53 HydrophobicContact CE1-CB 4.47Å; A53-D57 HydrophobicContact CB-CB 4.31Å; A53-M58 HydrophobicContact CB-CE 3.98Å; A53-S105 PolarHBondContact N-O 3.24Å; A53-S105 PolarHBondContact N-OG 2.64Å; A53-S105 WeakPolarHBondContact O-CB 3.32Å; A53-S105 PolarHBondContact O-OG 3.17Å; A53-T108 HydrophobicContact CB-CG2 3.72Å
54	S	98.4	Very high	97.7	Very high	40 Å²	40	57.9 Å²	57.9	28%	0.28	27%	0.274	S	S	.	.			trans	-83.6	169.8	176.6	72.5	0	0	0	0	111.4	K52 H56 D57 M58	K52-S54 PolarHBondContact O-N 3.02Å; S54-H56 PolarHBondContact O-N 2.86Å; S54-H56 WeakPolarHBondContact OG-CB 3.39Å; S54-H56 PolarHBondContact OG-N 3.35Å; S54-D57 WeakPolarHBondContact CB-OD2 3.42Å; S54-D57 PolarHBondContact N-OD2 3.14Å; S54-D57 PolarHBondContact O-N 2.93Å; S54-D57 VanDerWaalsContact OG-CG 3.23Å; S54-D57 PolarHBondContact OG-N 3.13Å; S54-D57 PolarHBondContact OG-OD2 3.14Å; S54-M58 WeakPolarHBondContact O-CG 3.4Å; S54-M58 PolarHBondContact O-N 3.07Å
55	Q	97.8	Very high	97.7	Very high	64 Å²	64	56.5 Å²	56.5	30%	0.299	27%	0.273	S	S	.	.	H	α-helix	trans	-55.6	-41.4	167.8	-174.9	163.2	13.6	0	0	112.1	D57 M58 C59 I67	Q55-D57 VanDerWaalsContact C-N 3.26Å; Q55-D57 PolarHBondContact O-N 3.27Å; Q55-M58 PolarHBondContact O-N 3.14Å; Q55-M58 VanDerWaalsContact O-N 3.16Å; Q55-C59 WeakPolarHBondContact O-CB 3.29Å; Q55-C59 PolarHBondContact O-N 3.34Å; Q55-C59 PolarHBondContact O-SG 2.91Å; Q55-I67 HydrophobicContact CB-CG2 4.26Å; Q55-I67 HydrophobicContact CG-CB 4.37Å; Q55-I67 HydrophobicContact CG-CG2 3.67Å
56	H	97.8	Very high	97.8	Very high	149 Å²	149	55.6 Å²	55.6	69%	0.69	27%	0.268	S	S	*	.	H	α-helix	trans	-58.6	-42.3	-179.1	-178.4	75.7	0	0	0	110.9	S54	S54-H56 PolarHBondContact O-N 2.86Å; S54-H56 WeakPolarHBondContact OG-CB 3.39Å; S54-H56 PolarHBondContact OG-N 3.35Å
57	D	97.8	Very high	97.8	Very high	5 Å²	5	52 Å²	52	3%	0.027	25%	0.251	C	S	.	.	H	α-helix	trans	-64	-45.5	176.7	-56.8	-48.2	0	0	0	111.7	Y51 A53 S54 Q55 R60 L112 V384	Y51-D57 VanDerWaalsContact CE1-OD2 3.32Å; Y51-D57 WeakPolarHBondContact CE1-OD2 3.46Å; Y51-D57 PolarHBondContact OH-OD2 3.32Å; A53-D57 HydrophobicContact CB-CB 4.31Å; S54-D57 WeakPolarHBondContact CB-OD2 3.42Å; S54-D57 PolarHBondContact N-OD2 3.14Å; S54-D57 PolarHBondContact O-N 2.93Å; S54-D57 VanDerWaalsContact OG-CG 3.23Å; S54-D57 PolarHBondContact OG-N 3.13Å; S54-D57 PolarHBondContact OG-OD2 3.14Å; Q55-D57 VanDerWaalsContact C-N 3.26Å; Q55-D57 PolarHBondContact O-N 3.27Å; D57-R60 WeakPolarHBondContact O-CB 3.32Å; D57-R60 WeakPolarHBondContact O-CD 3.36Å; D57-R60 WeakPolarHBondContact O-CG 3.29Å; D57-R60 PolarHBondContact O-N 2.98Å; D57-L112 HydrophobicContact CB-CD2 3.87Å; D57-V384 VanDerWaalsContact OD1-CG1 3.3Å; D57-V384 WeakPolarHBondContact OD1-CG1 3.38Å
58	M	98.6	Very high	97.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-68.3	-38.2	-177.7	-62.8	175.5	-176.4	0	0	112.8	A53 S54 Q55 R60 F61 H62 I67 F101 C104 S105 V147 I152	A53-M58 HydrophobicContact CB-CE 3.98Å; S54-M58 WeakPolarHBondContact O-CG 3.4Å; S54-M58 PolarHBondContact O-N 3.07Å; Q55-M58 PolarHBondContact O-N 3.14Å; Q55-M58 VanDerWaalsContact O-N 3.16Å; M58-R60 PolarHBondContact O-N 3.19Å; M58-F61 PolarHBondContact O-N 3.27Å; M58-H62 PolarHBondContact O-N 3.3Å; M58-I67 HydrophobicContact CB-CD1 3.85Å; M58-I67 HydrophobicContact CB-CG1 4.01Å; M58-I67 HydrophobicContact CB-CG2 4.28Å; M58-I67 HydrophobicContact SD-CD1 4.29Å; M58-I67 HydrophobicContact SD-CG2 4.13Å; M58-F101 HydrophobicContact CE-CE2 4.06Å; M58-F101 HydrophobicContact CE-CZ 4Å; M58-F101 HydrophobicContact SD-CE2 3.58Å; M58-F101 VanDerWaalsContact SD-CE2 3.58Å; M58-F101 HydrophobicContact SD-CZ 3.83Å; M58-C104 HydrophobicContact CE-CB 4.26Å; M58-S105 VanDerWaalsContact CE-CA 3.44Å; M58-V147 HydrophobicContact CB-CG1 4.45Å; M58-V147 HydrophobicContact CG-CG1 4Å; M58-V147 HydrophobicContact SD-CG1 4.37Å; M58-V147 HydrophobicContact SD-CG2 3.88Å; M58-I152 HydrophobicContact CB-CD1 4.48Å
59	C	98.6	Very high	97.8	Very high	34 Å²	34	48.9 Å²	48.9	23%	0.23	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-4	-179.5	-68.5	0	0	0	0	114	Q55 F61 H62 E64	Q55-C59 WeakPolarHBondContact O-CB 3.29Å; Q55-C59 PolarHBondContact O-N 3.34Å; Q55-C59 PolarHBondContact O-SG 2.91Å; C59-F61 PolarHBondContact O-N 3.01Å; C59-H62 WeakPolarHBondContact CA-O 3.47Å; C59-E64 HydrophobicContact CB-CG 4.32Å
60	R	96.9	Very high	97.8	Very high	76 Å²	76	42.2 Å²	42.2	29%	0.287	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-27	168.4	-68	170.9	58.8	-174.8	2.5	112.4	D57 M58 E156 V384	D57-R60 WeakPolarHBondContact O-CB 3.32Å; D57-R60 WeakPolarHBondContact O-CD 3.36Å; D57-R60 WeakPolarHBondContact O-CG 3.29Å; D57-R60 PolarHBondContact O-N 2.98Å; M58-R60 PolarHBondContact O-N 3.19Å; R60-E156 IonicContact CZ-OE2 3.84Å; R60-E156 IonicContact NH1-OE2 2.82Å; R60-E156 PolarHBondContact NH1-OE2 2.99Å; R60-E156 IonicContact NH2-OE2 2.94Å; R60-E156 PolarHBondContact NH2-OE2 3.24Å; R60-V384 VanDerWaalsContact NH1-CG2 3.29Å
61	F	98.7	Very high	98	Very high	22 Å²	22	45 Å²	45	10%	0.096	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-55	173.2	171.2	-121.1	0	0	0	111.6	M58 C59 K138 N148 V151 I152 L155 A180	M58-F61 PolarHBondContact O-N 3.27Å; C59-F61 PolarHBondContact O-N 3.01Å; F61-K138 HydrophobicContact CE1-CB 4.41Å; F61-K138 HydrophobicContact CE2-CB 4Å; F61-K138 HydrophobicContact CE2-CD 4.46Å; F61-K138 HydrophobicContact CE2-CG 4.44Å; F61-K138 HydrophobicContact CZ-CB 3.84Å; F61-K138 WeakPolarHBondContact O-CE 3.33Å; F61-K138 WeakPolarHBondContact O-CG 3.44Å; F61-N148 HydrophobicContact CD1-CB 4.21Å; F61-N148 HydrophobicContact CE1-CB 3.96Å; F61-V151 HydrophobicContact CB-CG1 3.96Å; F61-V151 HydrophobicContact CD1-CB 4.16Å; F61-V151 HydrophobicContact CD1-CG1 3.9Å; F61-V151 HydrophobicContact CD2-CG1 3.52Å; F61-V151 HydrophobicContact CE1-CB 4.39Å; F61-V151 HydrophobicContact CE1-CG1 4.28Å; F61-V151 HydrophobicContact CE1-CG2 4.45Å; F61-V151 HydrophobicContact CE2-CG1 3.92Å; F61-V151 HydrophobicContact CG-CB 4.26Å; F61-V151 HydrophobicContact CG-CG1 3.51Å; F61-V151 HydrophobicContact CZ-CG1 4.28Å; F61-V151 HydrophobicContact CZ-CG2 4.49Å; F61-I152 HydrophobicContact CB-CG1 4.22Å; F61-L155 HydrophobicContact CB-CD1 4.12Å; F61-A180 HydrophobicContact CE2-CB 3.7Å; F61-A180 HydrophobicContact CZ-CB 3.96Å
62	H	98.8	Very high	98.3	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.019	23%	0.226	C	C	.	.	S	Bend	trans	-73.5	157.7	-173.9	-68	-74.5	0	0	0	112.6	M58 C59 Y66 I67 K137 K138 V147 N148	M58-H62 PolarHBondContact O-N 3.3Å; C59-H62 WeakPolarHBondContact CA-O 3.47Å; H62-Y66 HydrophobicContact CB-CD1 4.14Å; H62-Y66 AromaticContact ND1-CD1 3.79Å; H62-Y66 AromaticContact ND1-CE1 3.68Å; H62-I67 HydrophobicContact CB-CD1 3.61Å; H62-I67 HydrophobicContact CB-CG1 3.65Å; H62-K137 PolarHBondContact CE1-O 3.04Å; H62-K137 PolarHBondContact ND1-O 3.29Å; H62-K138 VanDerWaalsContact CA-O 3.3Å; H62-K138 WeakPolarHBondContact CA-O 3.5Å; H62-K138 PolarHBondContact ND1-O 2.95Å; H62-V147 WeakPolarHBondContact NE2-CA 2.99Å; H62-N148 PolarHBondContact NE2-N 3.45Å
63	S	98.6	Very high	98.3	Very high	15 Å²	15	43.1 Å²	43.1	11%	0.105	21%	0.211	C	C	.	.			trans	-71.3	147.5	172	66.4	0	0	0	0	112.2	D65 Y66 I67 K138 F139	S63-D65 VanDerWaalsContact C-N 3.31Å; S63-D65 WeakPolarHBondContact CB-OD1 3.36Å; S63-D65 PolarHBondContact O-N 3.46Å; S63-D65 PolarHBondContact OG-OD1 3.38Å; S63-Y66 PolarHBondContact O-N 2.96Å; S63-Y66 VanDerWaalsContact OG-CB 3.25Å; S63-Y66 WeakPolarHBondContact OG-CB 3.47Å; S63-I67 PolarHBondContact O-N 3.46Å; S63-I67 VanDerWaalsContact O-N 3.15Å; S63-K138 PolarHBondContact N-O 3.27Å; S63-K138 VanDerWaalsContact N-O 3.14Å; S63-F139 VanDerWaalsContact CB-CD1 3.45Å; S63-F139 WeakPolarHBondContact OG-CD1 3.48Å
64	E	98.4	Very high	98.2	Very high	147 Å²	147	44.6 Å²	44.6	69%	0.687	22%	0.222	S	C	*	.	H	α-helix	trans	-61.4	-39.1	-178.3	-67.5	-178.5	-178.6	0	0	112.7	C59 I67 D68	C59-E64 HydrophobicContact CB-CG 4.32Å; E64-I67 PolarHBondContact O-N 2.92Å; E64-D68 WeakPolarHBondContact O-CB 3.2Å; E64-D68 PolarHBondContact O-N 3Å
65	D	98.4	Very high	98.1	Very high	93 Å²	93	45.4 Å²	45.4	50%	0.497	23%	0.226	S	C	.	.	H	α-helix	trans	-68.1	-35.3	179.5	62	-20	0	0	0	112.9	S63 F69 F88	S63-D65 VanDerWaalsContact C-N 3.31Å; S63-D65 WeakPolarHBondContact CB-OD1 3.36Å; S63-D65 PolarHBondContact O-N 3.46Å; S63-D65 PolarHBondContact OG-OD1 3.38Å; D65-F69 VanDerWaalsContact O-CB 3.32Å; D65-F69 WeakPolarHBondContact O-CB 3.38Å; D65-F69 PolarHBondContact O-N 3.18Å; D65-F88 HydrophobicContact CB-CZ 4.39Å
66	Y	98.8	Very high	98	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.3	-47.8	174.3	173.9	-124.2	0	0	0	111.2	H62 S63 F69 L70 F88 A141 Y146	H62-Y66 HydrophobicContact CB-CD1 4.14Å; H62-Y66 AromaticContact ND1-CD1 3.79Å; H62-Y66 AromaticContact ND1-CE1 3.68Å; S63-Y66 PolarHBondContact O-N 2.96Å; S63-Y66 VanDerWaalsContact OG-CB 3.25Å; S63-Y66 WeakPolarHBondContact OG-CB 3.47Å; Y66-F69 WeakPolarHBondContact O-CB 3.36Å; Y66-F69 PolarHBondContact O-N 3.11Å; Y66-L70 HydrophobicContact CD2-CG 4.35Å; Y66-L70 HydrophobicContact CE1-CD1 3.92Å; Y66-L70 HydrophobicContact CE2-CD1 4.07Å; Y66-L70 HydrophobicContact CE2-CD2 3.91Å; Y66-L70 HydrophobicContact CE2-CG 3.91Å; Y66-L70 WeakPolarHBondContact O-CG 3.34Å; Y66-L70 PolarHBondContact O-N 2.93Å; Y66-F88 HydrophobicContact CD2-CB 3.79Å; Y66-F88 AromaticContact CD2-CD1 3.71Å; Y66-F88 HydrophobicContact CD2-CD1 3.71Å; Y66-F88 HydrophobicContact CD2-CD2 4.44Å; Y66-F88 HydrophobicContact CD2-CE1 4.33Å; Y66-F88 AromaticContact CD2-CG 3.75Å; Y66-F88 HydrophobicContact CD2-CG 3.75Å; Y66-F88 HydrophobicContact CE2-CB 3.95Å; Y66-F88 HydrophobicContact CE2-CG 4.41Å; Y66-F88 HydrophobicContact CG-CD1 4.36Å; Y66-A141 WeakPolarHBondContact OH-CA 3.44Å; Y66-A141 WeakPolarHBondContact OH-CB 3.42Å; Y66-A141 PolarHBondContact OH-N 3.46Å; Y66-Y146 VanDerWaalsContact CE1-O 3.29Å; Y66-Y146 WeakPolarHBondContact CE1-O 3.39Å; Y66-Y146 VanDerWaalsContact OH-C 3.31Å; Y66-Y146 WeakPolarHBondContact OH-CA 3.44Å; Y66-Y146 PolarHBondContact OH-O 3.39Å
67	I	98.8	Very high	97.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.8	-40.2	178.3	-59.2	-57	0	0	0	111.5	Q55 M58 H62 S63 E64 F69 L70 Q71 F101 V147	Q55-I67 HydrophobicContact CB-CG2 4.26Å; Q55-I67 HydrophobicContact CG-CB 4.37Å; Q55-I67 HydrophobicContact CG-CG2 3.67Å; M58-I67 HydrophobicContact CB-CD1 3.85Å; M58-I67 HydrophobicContact CB-CG1 4.01Å; M58-I67 HydrophobicContact CB-CG2 4.28Å; M58-I67 HydrophobicContact SD-CD1 4.29Å; M58-I67 HydrophobicContact SD-CG2 4.13Å; H62-I67 HydrophobicContact CB-CD1 3.61Å; H62-I67 HydrophobicContact CB-CG1 3.65Å; S63-I67 PolarHBondContact O-N 3.46Å; S63-I67 VanDerWaalsContact O-N 3.15Å; E64-I67 PolarHBondContact O-N 2.92Å; I67-F69 VanDerWaalsContact C-N 3.28Å; I67-F69 PolarHBondContact O-N 2.83Å; I67-L70 HydrophobicContact CD1-CD1 4.3Å; I67-L70 PolarHBondContact O-N 3.15Å; I67-Q71 WeakPolarHBondContact O-CG 3.44Å; I67-Q71 PolarHBondContact O-N 3.33Å; I67-F101 HydrophobicContact CG2-CE2 3.93Å; I67-F101 HydrophobicContact CG2-CZ 4.49Å; I67-V147 HydrophobicContact CD1-CG2 3.99Å
68	D	98.5	Very high	97.7	Very high	53 Å²	53	48.8 Å²	48.8	28%	0.283	25%	0.25	S	C	.	.	H	α-helix	trans	-59.6	-39.7	173.6	179.2	70.7	0	0	0	111.7	E64 Q71 K72	E64-D68 WeakPolarHBondContact O-CB 3.2Å; E64-D68 PolarHBondContact O-N 3Å; D68-Q71 PolarHBondContact O-N 2.91Å; D68-K72 WeakPolarHBondContact O-CB 3.27Å; D68-K72 WeakPolarHBondContact O-CG 3.44Å; D68-K72 PolarHBondContact O-N 3.31Å; D68-K72 VanDerWaalsContact O-N 3.16Å; D68-K72 WeakPolarHBondContact OD1-CE 3.22Å; D68-K72 IonicContact OD1-NZ 3.21Å; D68-K72 PolarHBondContact OD1-NZ 2.69Å; D68-K72 WeakPolarHBondContact OD2-CE 3.18Å; D68-K72 IonicContact OD2-NZ 2.68Å; D68-K72 PolarHBondContact OD2-NZ 3.25Å
69	F	98.6	Very high	97.5	Very high	7 Å²	7	57.4 Å²	57.4	3%	0.031	29%	0.29	C	S	.	.	H	α-helix	trans	-62.2	-49.5	172.4	164.5	-101.1	0	0	0	112.3	D65 Y66 I67 Q71 K72 V73 F81 L85 F88 V90	D65-F69 VanDerWaalsContact O-CB 3.32Å; D65-F69 WeakPolarHBondContact O-CB 3.38Å; D65-F69 PolarHBondContact O-N 3.18Å; Y66-F69 WeakPolarHBondContact O-CB 3.36Å; Y66-F69 PolarHBondContact O-N 3.11Å; I67-F69 VanDerWaalsContact C-N 3.28Å; I67-F69 PolarHBondContact O-N 2.83Å; F69-Q71 PolarHBondContact O-N 3.31Å; F69-K72 PolarHBondContact O-N 2.99Å; F69-V73 HydrophobicContact CD2-CB 4.25Å; F69-V73 HydrophobicContact CE1-CB 4.49Å; F69-V73 HydrophobicContact CE1-CG1 4.22Å; F69-V73 HydrophobicContact CE2-CB 3.76Å; F69-V73 HydrophobicContact CE2-CG1 4.37Å; F69-V73 HydrophobicContact CE2-CG2 3.82Å; F69-V73 HydrophobicContact CZ-CB 3.89Å; F69-V73 HydrophobicContact CZ-CG1 4.06Å; F69-V73 HydrophobicContact CZ-CG2 3.84Å; F69-V73 WeakPolarHBondContact O-CB 3.34Å; F69-V73 WeakPolarHBondContact O-CG1 3.46Å; F69-V73 PolarHBondContact O-N 2.86Å; F69-F81 HydrophobicContact CD2-CD1 4.09Å; F69-F81 HydrophobicContact CE2-CB 4.04Å; F69-F81 HydrophobicContact CE2-CD1 4.16Å; F69-F81 HydrophobicContact CE2-CG 4.17Å; F69-L85 HydrophobicContact CE2-CD2 4.49Å; F69-L85 HydrophobicContact CZ-CD2 3.84Å; F69-L85 HydrophobicContact CZ-CG 4.29Å; F69-F88 HydrophobicContact CB-CD2 3.68Å; F69-F88 HydrophobicContact CB-CE2 3.44Å; F69-F88 VanDerWaalsContact CB-CE2 3.44Å; F69-F88 HydrophobicContact CB-CZ 4.36Å; F69-F88 HydrophobicContact CD1-CB 4.04Å; F69-F88 AromaticContact CD1-CD2 3.32Å; F69-F88 HydrophobicContact CD1-CD2 3.32Å; F69-F88 HydrophobicContact CD1-CE2 4.04Å; F69-F88 AromaticContact CD1-CG 3.99Å; F69-F88 HydrophobicContact CD1-CG 3.99Å; F69-F88 AromaticContact CD2-CD2 3.93Å; F69-F88 HydrophobicContact CD2-CD2 3.93Å; F69-F88 HydrophobicContact CD2-CE2 4.18Å; F69-F88 HydrophobicContact CE1-CB 4.02Å; F69-F88 AromaticContact CE1-CD2 3.88Å; F69-F88 HydrophobicContact CE1-CD2 3.88Å; F69-F88 HydrophobicContact CE1-CG 4.4Å; F69-F88 HydrophobicContact CE2-CD2 4.42Å; F69-F88 AromaticContact CG-CD2 3.33Å; F69-F88 HydrophobicContact CG-CD2 3.33Å; F69-F88 AromaticContact CG-CE2 3.61Å; F69-F88 HydrophobicContact CG-CE2 3.61Å; F69-F88 HydrophobicContact CG-CG 4.39Å; F69-F88 HydrophobicContact CZ-CD2 4.4Å; F69-V90 HydrophobicContact CE1-CB 4.02Å; F69-V90 HydrophobicContact CE1-CG1 4.32Å; F69-V90 HydrophobicContact CE1-CG2 3.94Å; F69-V90 HydrophobicContact CZ-CB 4.27Å; F69-V90 HydrophobicContact CZ-CG1 4.37Å
70	L	98.6	Very high	97.3	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-59.1	-34.7	179.1	-68.1	-175.7	0	0	0	112.3	Y66 I67 V90 L100 F101 Y146 V147	Y66-L70 HydrophobicContact CD2-CG 4.35Å; Y66-L70 HydrophobicContact CE1-CD1 3.92Å; Y66-L70 HydrophobicContact CE2-CD1 4.07Å; Y66-L70 HydrophobicContact CE2-CD2 3.91Å; Y66-L70 HydrophobicContact CE2-CG 3.91Å; Y66-L70 WeakPolarHBondContact O-CG 3.34Å; Y66-L70 PolarHBondContact O-N 2.93Å; I67-L70 HydrophobicContact CD1-CD1 4.3Å; I67-L70 PolarHBondContact O-N 3.15Å; L70-V90 HydrophobicContact CD2-CG2 4.28Å; L70-L100 HydrophobicContact CB-CD2 4.4Å; L70-L100 HydrophobicContact CD2-CD2 4Å; L70-F101 HydrophobicContact CB-CD2 4.12Å; L70-Y146 HydrophobicContact CD2-CD1 4.18Å; L70-V147 HydrophobicContact CD1-CG2 4.02Å
71	Q	97.8	Very high	97.2	Very high	72 Å²	72	58 Å²	58	34%	0.336	31%	0.311	S	S	.	.	H	α-helix	trans	-67.6	-37.7	175.2	-74.7	-177.9	-8.2	0	0	113.5	I67 D68 F69 F101	I67-Q71 WeakPolarHBondContact O-CG 3.44Å; I67-Q71 PolarHBondContact O-N 3.33Å; D68-Q71 PolarHBondContact O-N 2.91Å; F69-Q71 PolarHBondContact O-N 3.31Å; Q71-F101 HydrophobicContact CB-CD2 4.32Å; Q71-F101 HydrophobicContact CB-CG 4.37Å; Q71-F101 HydrophobicContact CG-CD1 3.77Å; Q71-F101 HydrophobicContact CG-CD2 3.45Å; Q71-F101 VanDerWaalsContact CG-CD2 3.45Å; Q71-F101 HydrophobicContact CG-CE1 3.65Å; Q71-F101 HydrophobicContact CG-CE2 3.33Å; Q71-F101 HydrophobicContact CG-CG 3.68Å; Q71-F101 HydrophobicContact CG-CZ 3.45Å; Q71-F101 VanDerWaalsContact CG-CZ 3.45Å
72	K	97.8	Very high	97	Very high	109 Å²	109	61 Å²	61	47%	0.474	33%	0.331	S	S	.	.	H	α-helix	trans	-88.9	-31.3	-172.9	-72	172.6	-179.1	166.4	0	113.2	D68 F69 N77 F81	D68-K72 WeakPolarHBondContact O-CB 3.27Å; D68-K72 WeakPolarHBondContact O-CG 3.44Å; D68-K72 PolarHBondContact O-N 3.31Å; D68-K72 VanDerWaalsContact O-N 3.16Å; D68-K72 WeakPolarHBondContact OD1-CE 3.22Å; D68-K72 IonicContact OD1-NZ 3.21Å; D68-K72 PolarHBondContact OD1-NZ 2.69Å; D68-K72 WeakPolarHBondContact OD2-CE 3.18Å; D68-K72 IonicContact OD2-NZ 2.68Å; D68-K72 PolarHBondContact OD2-NZ 3.25Å; F69-K72 PolarHBondContact O-N 2.99Å; K72-N77 PolarHBondContact O-ND2 2.98Å; K72-F81 HydrophobicContact CB-CZ 4.17Å
73	V	97.8	Very high	96.8	Very high	12 Å²	12	69 Å²	69	7%	0.073	37%	0.366	C	S	.	.			trans	-68.3	134.6	-174.8	73.5	0	0	0	0	110.7	F69 F81 L85 V96	F69-V73 HydrophobicContact CD2-CB 4.25Å; F69-V73 HydrophobicContact CE1-CB 4.49Å; F69-V73 HydrophobicContact CE1-CG1 4.22Å; F69-V73 HydrophobicContact CE2-CB 3.76Å; F69-V73 HydrophobicContact CE2-CG1 4.37Å; F69-V73 HydrophobicContact CE2-CG2 3.82Å; F69-V73 HydrophobicContact CZ-CB 3.89Å; F69-V73 HydrophobicContact CZ-CG1 4.06Å; F69-V73 HydrophobicContact CZ-CG2 3.84Å; F69-V73 WeakPolarHBondContact O-CB 3.34Å; F69-V73 WeakPolarHBondContact O-CG1 3.46Å; F69-V73 PolarHBondContact O-N 2.86Å; V73-F81 HydrophobicContact CG2-CD2 4.47Å; V73-L85 HydrophobicContact CG2-CD2 4.31Å; V73-V96 HydrophobicContact CG2-CG1 4.02Å; V73-V96 HydrophobicContact CG2-CG2 3.76Å
74	S	97.1	Very high	96.7	Very high	34 Å²	34	70 Å²	70	24%	0.238	37%	0.374	C	S	.	.			trans	-146.6	160.1	177.8	72.2	0	0	0	0	110	N76 N77 M78 V96	S74-N76 PolarHBondContact O-N 2.95Å; S74-N76 PolarHBondContact OG-N 3.49Å; S74-N77 WeakPolarHBondContact CA-OD1 3.49Å; S74-N77 PolarHBondContact N-OD1 3.14Å; S74-N77 PolarHBondContact O-N 3.35Å; S74-N77 VanDerWaalsContact O-N 3.13Å; S74-N77 PolarHBondContact O-OD1 2.89Å; S74-N77 PolarHBondContact OG-N 3.3Å; S74-N77 PolarHBondContact OG-ND2 3.29Å; S74-N77 PolarHBondContact OG-OD1 3.47Å; S74-M78 WeakPolarHBondContact O-CB 3.37Å; S74-M78 PolarHBondContact O-N 3.25Å; S74-V96 VanDerWaalsContact C-CG1 3.5Å
75	P	96.1	Very high	96.7	Very high	56 Å²	56	63.9 Å²	63.9	36%	0.364	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-25.1	175.6	-27	36.3	0	0	0	113.7	V96 P98	P75-V96 HydrophobicContact CG-CG1 4.23Å; P75-P98 HydrophobicContact CG-CG 4.15Å
76	N	96.3	Very high	96.6	Very high	162 Å²	162	65.6 Å²	65.6	87%	0.866	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-22.3	-177.2	-65.3	-24.3	0	0	0	113.9	S74	S74-N76 PolarHBondContact O-N 2.95Å; S74-N76 PolarHBondContact OG-N 3.49Å
77	N	96.1	Very high	96.6	Very high	58 Å²	58	69.5 Å²	69.5	31%	0.31	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-1.6	-175.2	68.1	6.7	0	0	0	113.6	K72 S74 Q79 G80 F81	K72-N77 PolarHBondContact O-ND2 2.98Å; S74-N77 WeakPolarHBondContact CA-OD1 3.49Å; S74-N77 PolarHBondContact N-OD1 3.14Å; S74-N77 PolarHBondContact O-N 3.35Å; S74-N77 VanDerWaalsContact O-N 3.13Å; S74-N77 PolarHBondContact O-OD1 2.89Å; S74-N77 PolarHBondContact OG-N 3.3Å; S74-N77 PolarHBondContact OG-ND2 3.29Å; S74-N77 PolarHBondContact OG-OD1 3.47Å; N77-Q79 PolarHBondContact O-N 3.41Å; N77-Q79 VanDerWaalsContact O-N 3.08Å; N77-G80 PolarHBondContact O-N 2.64Å; N77-F81 HydrophobicContact CB-CE2 4.28Å; N77-F81 WeakPolarHBondContact O-CD2 3.46Å
78	M	93.2	Very high	96.6	Very high	70 Å²	70	70.3 Å²	70.3	35%	0.345	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-55.9	-29.4	-176	67.6	-178.9	-64.6	0	0	114.1	S74 G80 F81 L85 V96	S74-M78 WeakPolarHBondContact O-CB 3.37Å; S74-M78 PolarHBondContact O-N 3.25Å; M78-G80 PolarHBondContact O-N 3.44Å; M78-F81 PolarHBondContact O-N 3.29Å; M78-L85 HydrophobicContact CB-CD1 4.23Å; M78-L85 HydrophobicContact CE-CD1 4.44Å; M78-L85 WeakPolarHBondContact O-CD1 3.36Å; M78-V96 HydrophobicContact CE-CG2 4.48Å
79	Q	93.2	Very high	96.6	Very high	180 Å²	180	71.5 Å²	71.5	84%	0.841	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-62	-28.3	174.7	-67	-179.4	1.6	0	0	113	N77 F81 T82	N77-Q79 PolarHBondContact O-N 3.41Å; N77-Q79 VanDerWaalsContact O-N 3.08Å; Q79-F81 VanDerWaalsContact C-N 3.27Å; Q79-T82 PolarHBondContact O-OG1 2.71Å
80	G	95.3	Very high	96.5	Very high	72 Å²	72	71.3 Å²	71.3	74%	0.742	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-79.1	-8.9	174	0	0	0	0	0	113.8	N77 M78	N77-G80 PolarHBondContact O-N 2.64Å; M78-G80 PolarHBondContact O-N 3.44Å
81	F	95.3	Very high	96.4	Very high	52 Å²	52	73.1 Å²	73.1	23%	0.228	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-112.6	14.4	-174.5	-73.8	-72.8	0	0	0	114	F69 K72 V73 N77 M78 Q79 K83 S84 L85	F69-F81 HydrophobicContact CD2-CD1 4.09Å; F69-F81 HydrophobicContact CE2-CB 4.04Å; F69-F81 HydrophobicContact CE2-CD1 4.16Å; F69-F81 HydrophobicContact CE2-CG 4.17Å; K72-F81 HydrophobicContact CB-CZ 4.17Å; V73-F81 HydrophobicContact CG2-CD2 4.47Å; N77-F81 HydrophobicContact CB-CE2 4.28Å; N77-F81 WeakPolarHBondContact O-CD2 3.46Å; M78-F81 PolarHBondContact O-N 3.29Å; Q79-F81 VanDerWaalsContact C-N 3.27Å; F81-K83 PolarHBondContact O-N 2.98Å; F81-S84 CarbonylContact O-C 3.45Å; F81-S84 WeakPolarHBondContact O-CA 3.37Å; F81-S84 PolarHBondContact O-N 3.35Å; F81-L85 HydrophobicContact CB-CD1 4.46Å; F81-L85 HydrophobicContact CB-CG 4.28Å; F81-L85 WeakPolarHBondContact O-CG 3.39Å; F81-L85 PolarHBondContact O-N 3.47Å
82	T	93.9	Very high	96.1	Very high	83 Å²	83	77.2 Å²	77.2	51%	0.509	43%	0.431	S	S	.	.	H	α-helix	trans	-48.4	-40.7	-174.7	-51.1	0	0	0	0	114.4	Q79 N86	Q79-T82 PolarHBondContact O-OG1 2.71Å; T82-N86 PolarHBondContact O-N 3.47Å
83	K	95.3	Very high	96	Very high	172 Å²	172	76.7 Å²	76.7	75%	0.748	43%	0.433	S	S	*	.	H	α-helix	trans	-65.9	-48.8	176.4	-173.9	-179.3	177	-173.6	0	111.6	F81 N86 T87	F81-K83 PolarHBondContact O-N 2.98Å; K83-N86 PolarHBondContact O-N 2.81Å; K83-T87 PolarHBondContact O-N 3.14Å; K83-T87 PolarHBondContact O-OG1 2.82Å; K83-T87 VanDerWaalsContact O-OG1 3.09Å
84	S	96.8	Very high	96	Very high	38 Å²	38	76.2 Å²	76.2	27%	0.266	43%	0.43	S	S	.	.	H	α-helix	trans	-65.2	-38.3	179.6	-58.5	0	0	0	0	112.4	F81 N86 T87 F88	F81-S84 CarbonylContact O-C 3.45Å; F81-S84 WeakPolarHBondContact O-CA 3.37Å; F81-S84 PolarHBondContact O-N 3.35Å; S84-N86 VanDerWaalsContact C-N 3.32Å; S84-N86 PolarHBondContact O-N 3.31Å; S84-T87 PolarHBondContact O-N 2.96Å; S84-F88 WeakPolarHBondContact O-CB 3.32Å; S84-F88 WeakPolarHBondContact O-CD2 3.4Å; S84-F88 WeakPolarHBondContact O-CG 3.42Å; S84-F88 PolarHBondContact O-N 3.5Å
85	L	97.3	Very high	96.1	Very high	17 Å²	17	75.5 Å²	75.5	9%	0.089	43%	0.425	C	S	.	.	H	α-helix	trans	-55.2	-48	174.9	-75	166.6	0	0	0	111.2	F69 V73 M78 F81 N89 V90 V96	F69-L85 HydrophobicContact CE2-CD2 4.49Å; F69-L85 HydrophobicContact CZ-CD2 3.84Å; F69-L85 HydrophobicContact CZ-CG 4.29Å; V73-L85 HydrophobicContact CG2-CD2 4.31Å; M78-L85 HydrophobicContact CB-CD1 4.23Å; M78-L85 HydrophobicContact CE-CD1 4.44Å; M78-L85 WeakPolarHBondContact O-CD1 3.36Å; F81-L85 HydrophobicContact CB-CD1 4.46Å; F81-L85 HydrophobicContact CB-CG 4.28Å; F81-L85 WeakPolarHBondContact O-CG 3.39Å; F81-L85 PolarHBondContact O-N 3.47Å; L85-N89 PolarHBondContact O-N 3Å; L85-N89 VanDerWaalsContact O-N 3.11Å; L85-V90 WeakPolarHBondContact CB-O 3.24Å; L85-V90 HydrophobicContact CD2-CB 4.13Å; L85-V90 HydrophobicContact CD2-CG1 3.8Å; L85-V90 WeakPolarHBondContact CD2-O 3.4Å; L85-V90 PolarHBondContact O-N 3.19Å; L85-V96 HydrophobicContact CD2-CG2 3.73Å
86	N	96.9	Very high	96.2	Very high	130 Å²	130	73.9 Å²	73.9	70%	0.695	41%	0.414	S	S	*	.	H	α-helix	trans	-68	-41.9	176.3	-69.1	-13.5	0	0	0	112.4	T82 K83 S84 F88 N89	T82-N86 PolarHBondContact O-N 3.47Å; K83-N86 PolarHBondContact O-N 2.81Å; S84-N86 VanDerWaalsContact C-N 3.32Å; S84-N86 PolarHBondContact O-N 3.31Å; N86-F88 VanDerWaalsContact C-N 3.34Å; N86-F88 PolarHBondContact O-N 3.25Å; N86-N89 PolarHBondContact O-N 3.05Å
87	T	97.8	Very high	96.3	Very high	82 Å²	82	66.5 Å²	66.5	50%	0.503	37%	0.374	S	S	.	.	H	α-helix	trans	-65	-36.7	-179.3	-64.5	0	0	0	0	112.8	K83 S84	K83-T87 PolarHBondContact O-N 3.14Å; K83-T87 PolarHBondContact O-OG1 2.82Å; K83-T87 VanDerWaalsContact O-OG1 3.09Å; S84-T87 PolarHBondContact O-N 2.96Å
88	F	98.5	Very high	96.4	Very high	16 Å²	16	68.5 Å²	68.5	7%	0.07	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	9	-176.6	-60.3	-46.2	0	0	0	113.2	D65 Y66 F69 S84 N86 V90 F139 A141	D65-F88 HydrophobicContact CB-CZ 4.39Å; Y66-F88 HydrophobicContact CD2-CB 3.79Å; Y66-F88 AromaticContact CD2-CD1 3.71Å; Y66-F88 HydrophobicContact CD2-CD1 3.71Å; Y66-F88 HydrophobicContact CD2-CD2 4.44Å; Y66-F88 HydrophobicContact CD2-CE1 4.33Å; Y66-F88 AromaticContact CD2-CG 3.75Å; Y66-F88 HydrophobicContact CD2-CG 3.75Å; Y66-F88 HydrophobicContact CE2-CB 3.95Å; Y66-F88 HydrophobicContact CE2-CG 4.41Å; Y66-F88 HydrophobicContact CG-CD1 4.36Å; F69-F88 HydrophobicContact CB-CD2 3.68Å; F69-F88 HydrophobicContact CB-CE2 3.44Å; F69-F88 VanDerWaalsContact CB-CE2 3.44Å; F69-F88 HydrophobicContact CB-CZ 4.36Å; F69-F88 HydrophobicContact CD1-CB 4.04Å; F69-F88 AromaticContact CD1-CD2 3.32Å; F69-F88 HydrophobicContact CD1-CD2 3.32Å; F69-F88 HydrophobicContact CD1-CE2 4.04Å; F69-F88 AromaticContact CD1-CG 3.99Å; F69-F88 HydrophobicContact CD1-CG 3.99Å; F69-F88 AromaticContact CD2-CD2 3.93Å; F69-F88 HydrophobicContact CD2-CD2 3.93Å; F69-F88 HydrophobicContact CD2-CE2 4.18Å; F69-F88 HydrophobicContact CE1-CB 4.02Å; F69-F88 AromaticContact CE1-CD2 3.88Å; F69-F88 HydrophobicContact CE1-CD2 3.88Å; F69-F88 HydrophobicContact CE1-CG 4.4Å; F69-F88 HydrophobicContact CE2-CD2 4.42Å; F69-F88 AromaticContact CG-CD2 3.33Å; F69-F88 HydrophobicContact CG-CD2 3.33Å; F69-F88 AromaticContact CG-CE2 3.61Å; F69-F88 HydrophobicContact CG-CE2 3.61Å; F69-F88 HydrophobicContact CG-CG 4.39Å; F69-F88 HydrophobicContact CZ-CD2 4.4Å; S84-F88 WeakPolarHBondContact O-CB 3.32Å; S84-F88 WeakPolarHBondContact O-CD2 3.4Å; S84-F88 WeakPolarHBondContact O-CG 3.42Å; S84-F88 PolarHBondContact O-N 3.5Å; N86-F88 VanDerWaalsContact C-N 3.34Å; N86-F88 PolarHBondContact O-N 3.25Å; F88-V90 VanDerWaalsContact C-N 3.31Å; F88-V90 PolarHBondContact O-N 3.26Å; F88-F139 WeakPolarHBondContact CD1-O 3.32Å; F88-A141 PolarHBondContact O-N 3.08Å
89	N	98.4	Very high	96.6	Very high	78 Å²	78	66.7 Å²	66.7	42%	0.417	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	44.1	179.1	-166.8	38.4	0	0	0	113.7	L85 N86 E140 A141	L85-N89 PolarHBondContact O-N 3Å; L85-N89 VanDerWaalsContact O-N 3.11Å; N86-N89 PolarHBondContact O-N 3.05Å; N89-E140 HydrophobicContact CB-CB 4.09Å; N89-A141 WeakPolarHBondContact CB-O 3.49Å; N89-A141 PolarHBondContact ND2-O 3.38Å
90	V	98.2	Very high	96.9	Very high	4 Å²	4	58.3 Å²	58.3	2%	0.024	35%	0.351	C	S	.	.			trans	-111.5	116.8	176.9	171	0	0	0	0	108.6	F69 L70 L85 F88 C94 V96 A141 Y146	F69-V90 HydrophobicContact CE1-CB 4.02Å; F69-V90 HydrophobicContact CE1-CG1 4.32Å; F69-V90 HydrophobicContact CE1-CG2 3.94Å; F69-V90 HydrophobicContact CZ-CB 4.27Å; F69-V90 HydrophobicContact CZ-CG1 4.37Å; L70-V90 HydrophobicContact CD2-CG2 4.28Å; L85-V90 WeakPolarHBondContact CB-O 3.24Å; L85-V90 HydrophobicContact CD2-CB 4.13Å; L85-V90 HydrophobicContact CD2-CG1 3.8Å; L85-V90 WeakPolarHBondContact CD2-O 3.4Å; L85-V90 PolarHBondContact O-N 3.19Å; F88-V90 VanDerWaalsContact C-N 3.31Å; F88-V90 PolarHBondContact O-N 3.26Å; V90-C94 CarbonylContact C-O 3.41Å; V90-C94 WeakPolarHBondContact CA-O 3.37Å; V90-C94 WeakPolarHBondContact CG1-O 3.39Å; V90-V96 HydrophobicContact CG1-CG2 3.58Å; V90-A141 HydrophobicContact CG2-CB 3.75Å; V90-Y146 HydrophobicContact CG2-CD1 4.26Å; V90-Y146 HydrophobicContact CG2-CE1 4.29Å
91	G	95.3	Very high	97	Very high	39 Å²	39	57 Å²	57	40%	0.402	33%	0.325	S	S	.	.	S	Bend	trans	175.7	-99	-169.6	0	0	0	0	0	112.6	C94 P95	G91-C94 PolarHBondContact N-O 3.42Å; G91-P95 WeakPolarHBondContact O-CA 3.38Å
92	D	92.9	Very high	97.2	Very high	157 Å²	157	58 Å²	58	84%	0.84	33%	0.33	S	S	*	.	S	Bend	trans	-72.8	-76.8	-172.4	-66.9	-40.2	0	0	0	112.2	C94	D92-C94 VanDerWaalsContact C-N 3.31Å; D92-C94 PolarHBondContact O-N 3.3Å
93	D	94.6	Very high	97.4	Very high	98 Å²	98	54.3 Å²	54.3	52%	0.524	31%	0.307	S	S	.	.	S	Bend	trans	-68.9	-31.7	-179.9	-72.2	-22.6	0	0	0	111.6	H22 P95 F144	H22-D93 PolarHBondContact NE2-O 3.12Å; D93-P95 VanDerWaalsContact C-CD 3.4Å; D93-P95 WeakPolarHBondContact O-CD 3.45Å; D93-F144 HydrophobicContact CB-CD1 4.2Å; D93-F144 HydrophobicContact CB-CE1 3.99Å; D93-F144 WeakPolarHBondContact O-CD1 3.41Å
94	C	98.3	Very high	97.6	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.014	27%	0.271	C	S	.	.	S	Bend	trans	-110.6	76	177.6	-67.2	0	0	0	0	110.1	V90 G91 D92 A141 F144 Y146	V90-C94 CarbonylContact C-O 3.41Å; V90-C94 WeakPolarHBondContact CA-O 3.37Å; V90-C94 WeakPolarHBondContact CG1-O 3.39Å; G91-C94 PolarHBondContact N-O 3.42Å; D92-C94 VanDerWaalsContact C-N 3.31Å; D92-C94 PolarHBondContact O-N 3.3Å; C94-A141 HydrophobicContact CB-CB 3.83Å; C94-F144 PolarHBondContact SG-N 3.12Å; C94-F144 VanDerWaalsContact SG-N 3.38Å; C94-Y146 WeakPolarHBondContact CA-OH 3.41Å; C94-Y146 HydrophobicContact CB-CD1 4.43Å; C94-Y146 HydrophobicContact CB-CE1 3.67Å
95	P	98.3	Very high	97.7	Very high	20 Å²	20	44.8 Å²	44.8	13%	0.13	26%	0.262	C	S	.	.			trans	-72.2	152.8	-172.6	30.4	-37.9	0	0	0	114	Y18 G91 D93 F97 L100 Y146	Y18-P95 HydrophobicContact CD1-CG 4.11Å; Y18-P95 WeakPolarHBondContact O-CG 3.48Å; G91-P95 WeakPolarHBondContact O-CA 3.38Å; D93-P95 VanDerWaalsContact C-CD 3.4Å; D93-P95 WeakPolarHBondContact O-CD 3.45Å; P95-F97 VanDerWaalsContact O-CD1 3.32Å; P95-F97 WeakPolarHBondContact O-CD1 3.23Å; P95-F97 PolarHBondContact O-N 3.39Å; P95-L100 WeakPolarHBondContact O-CD1 3.48Å; P95-Y146 VanDerWaalsContact CD-OH 3.31Å; P95-Y146 WeakPolarHBondContact CD-OH 3.39Å; P95-Y146 VanDerWaalsContact N-OH 3.11Å; P95-Y146 PolarHBondContact O-OH 3.4Å
96	V	98.4	Very high	97.7	Very high	21 Å²	21	44.6 Å²	44.6	13%	0.127	26%	0.26	C	S	.	.			trans	-75.9	122.7	164.8	-176.5	0	0	0	0	109	V73 S74 P75 M78 L85 V90	V73-V96 HydrophobicContact CG2-CG1 4.02Å; V73-V96 HydrophobicContact CG2-CG2 3.76Å; S74-V96 VanDerWaalsContact C-CG1 3.5Å; P75-V96 HydrophobicContact CG-CG1 4.23Å; M78-V96 HydrophobicContact CE-CG2 4.48Å; L85-V96 HydrophobicContact CD2-CG2 3.73Å; V90-V96 HydrophobicContact CG1-CG2 3.58Å
97	F	98.3	Very high	97.8	Very high	7 Å²	7	38.4 Å²	38.4	3%	0.031	23%	0.227	C	C	.	.			trans	-135.1	158.4	176.6	62.3	-93.4	0	0	0	112.3	F16 Y18 P95 G99 L100 F103 Y146	F16-F97 HydrophobicContact CB-CE2 4.22Å; F16-F97 HydrophobicContact CD1-CE2 4.31Å; Y18-F97 HydrophobicContact CD1-CE1 4.17Å; Y18-F97 HydrophobicContact CD2-CD1 4.41Å; Y18-F97 AromaticContact CD2-CE1 3.89Å; Y18-F97 HydrophobicContact CD2-CE1 3.89Å; Y18-F97 HydrophobicContact CD2-CZ 4.03Å; Y18-F97 HydrophobicContact CE1-CE1 4.21Å; Y18-F97 AromaticContact CE2-CE1 3.9Å; Y18-F97 HydrophobicContact CE2-CE1 3.9Å; Y18-F97 AromaticContact CE2-CZ 3.84Å; Y18-F97 HydrophobicContact CE2-CZ 3.84Å; Y18-F97 HydrophobicContact CG-CD1 4.27Å; Y18-F97 HydrophobicContact CG-CE1 4.03Å; P95-F97 VanDerWaalsContact O-CD1 3.32Å; P95-F97 WeakPolarHBondContact O-CD1 3.23Å; P95-F97 PolarHBondContact O-N 3.39Å; F97-G99 PolarHBondContact O-N 3.49Å; F97-L100 HydrophobicContact CD1-CB 4.36Å; F97-L100 HydrophobicContact CD1-CD1 4.26Å; F97-L100 HydrophobicContact CD1-CG 4.4Å; F97-L100 HydrophobicContact CD2-CB 4.3Å; F97-L100 HydrophobicContact CE1-CB 4.15Å; F97-L100 HydrophobicContact CE1-CD1 4.14Å; F97-L100 HydrophobicContact CE1-CG 3.93Å; F97-L100 HydrophobicContact CE2-CB 4.09Å; F97-L100 HydrophobicContact CG-CB 4.43Å; F97-L100 HydrophobicContact CZ-CB 4.01Å; F97-L100 HydrophobicContact CZ-CG 4.06Å; F97-L100 WeakPolarHBondContact O-CB 3.35Å; F97-L100 PolarHBondContact O-N 2.9Å; F97-F103 HydrophobicContact CE2-CB 4.28Å; F97-F103 HydrophobicContact CZ-CB 4.33Å; F97-F103 HydrophobicContact CZ-CD1 4.11Å; F97-F103 HydrophobicContact CZ-CG 4.46Å; F97-Y146 AromaticContact CE1-CE2 3.92Å; F97-Y146 HydrophobicContact CE1-CE2 3.92Å
98	P	98.2	Very high	97.9	Very high	101 Å²	101	34.5 Å²	34.5	66%	0.656	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	123.5	176.9	-24.3	34.3	0	0	0	112	P75	P75-P98 HydrophobicContact CG-CG 4.15Å
99	G	97.9	Very high	97.9	Very high	32 Å²	32	33.8 Å²	33.8	33%	0.33	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	81	16.9	179.1	0	0	0	0	0	115.2	F16 F97 F101 E102 F103	F16-G99 VanDerWaalsContact CE1-O 3.24Å; F16-G99 WeakPolarHBondContact CE1-O 3.37Å; F97-G99 PolarHBondContact O-N 3.49Å; G99-F101 PolarHBondContact O-N 3.35Å; G99-E102 WeakPolarHBondContact O-CB 3.37Å; G99-E102 PolarHBondContact O-N 3.08Å; G99-F103 PolarHBondContact O-N 3.32Å
100	L	98.4	Very high	97.9	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.021	18%	0.18	C	C	.	.	H	α-helix	trans	-47.3	-54.6	178.2	-176	161.7	0	0	0	113.1	L70 P95 F97 E102 F103 C104 Y146	L70-L100 HydrophobicContact CB-CD2 4.4Å; L70-L100 HydrophobicContact CD2-CD2 4Å; P95-L100 WeakPolarHBondContact O-CD1 3.48Å; F97-L100 HydrophobicContact CD1-CB 4.36Å; F97-L100 HydrophobicContact CD1-CD1 4.26Å; F97-L100 HydrophobicContact CD1-CG 4.4Å; F97-L100 HydrophobicContact CD2-CB 4.3Å; F97-L100 HydrophobicContact CE1-CB 4.15Å; F97-L100 HydrophobicContact CE1-CD1 4.14Å; F97-L100 HydrophobicContact CE1-CG 3.93Å; F97-L100 HydrophobicContact CE2-CB 4.09Å; F97-L100 HydrophobicContact CG-CB 4.43Å; F97-L100 HydrophobicContact CZ-CB 4.01Å; F97-L100 HydrophobicContact CZ-CG 4.06Å; F97-L100 WeakPolarHBondContact O-CB 3.35Å; F97-L100 PolarHBondContact O-N 2.9Å; L100-E102 VanDerWaalsContact C-N 3.28Å; L100-E102 PolarHBondContact O-N 3.37Å; L100-F103 WeakPolarHBondContact O-CB 3.42Å; L100-F103 PolarHBondContact O-N 2.9Å; L100-C104 PolarHBondContact O-N 3.25Å; L100-C104 PolarHBondContact O-SG 3.28Å; L100-Y146 HydrophobicContact CD1-CD1 4.15Å; L100-Y146 HydrophobicContact CD1-CE1 3.7Å; L100-Y146 HydrophobicContact CD2-CD1 4.17Å; L100-Y146 HydrophobicContact CD2-CG 4.24Å; L100-Y146 HydrophobicContact CG-CD1 4.44Å; L100-Y146 HydrophobicContact CG-CE1 4.32Å
101	F	98.6	Very high	98	Very high	45 Å²	45	29.9 Å²	29.9	20%	0.197	18%	0.179	C	C	.	.	H	α-helix	trans	-64.2	-35.4	-179.4	-173.9	-102.1	0	0	0	112.5	M58 I67 L70 Q71 G99 C104 S105	M58-F101 HydrophobicContact CE-CE2 4.06Å; M58-F101 HydrophobicContact CE-CZ 4Å; M58-F101 HydrophobicContact SD-CE2 3.58Å; M58-F101 VanDerWaalsContact SD-CE2 3.58Å; M58-F101 HydrophobicContact SD-CZ 3.83Å; I67-F101 HydrophobicContact CG2-CE2 3.93Å; I67-F101 HydrophobicContact CG2-CZ 4.49Å; L70-F101 HydrophobicContact CB-CD2 4.12Å; Q71-F101 HydrophobicContact CB-CD2 4.32Å; Q71-F101 HydrophobicContact CB-CG 4.37Å; Q71-F101 HydrophobicContact CG-CD1 3.77Å; Q71-F101 HydrophobicContact CG-CD2 3.45Å; Q71-F101 VanDerWaalsContact CG-CD2 3.45Å; Q71-F101 HydrophobicContact CG-CE1 3.65Å; Q71-F101 HydrophobicContact CG-CE2 3.33Å; Q71-F101 HydrophobicContact CG-CG 3.68Å; Q71-F101 HydrophobicContact CG-CZ 3.45Å; Q71-F101 VanDerWaalsContact CG-CZ 3.45Å; G99-F101 PolarHBondContact O-N 3.35Å; F101-C104 WeakPolarHBondContact O-CB 3.16Å; F101-C104 PolarHBondContact O-N 2.83Å; F101-S105 WeakPolarHBondContact O-CB 3.08Å; F101-S105 PolarHBondContact O-N 2.86Å
102	E	98.6	Very high	98.1	Very high	72 Å²	72	28 Å²	28	34%	0.336	16%	0.16	S	C	.	.	H	α-helix	trans	-66.8	-39.7	177.6	-174.6	176.9	-168.2	0	0	111.7	F16 K52 G99 L100 C104 S105 R106	F16-E102 HydrophobicContact CE1-CB 4.09Å; F16-E102 HydrophobicContact CE1-CG 4.32Å; F16-E102 HydrophobicContact CZ-CB 4.08Å; F16-E102 HydrophobicContact CZ-CG 3.83Å; K52-E102 IonicContact NZ-OE1 3.94Å; K52-E102 PolarHBondContact NZ-OE1 3.42Å; G99-E102 WeakPolarHBondContact O-CB 3.37Å; G99-E102 PolarHBondContact O-N 3.08Å; L100-E102 VanDerWaalsContact C-N 3.28Å; L100-E102 PolarHBondContact O-N 3.37Å; E102-C104 VanDerWaalsContact C-N 3.33Å; E102-S105 PolarHBondContact O-N 2.83Å; E102-R106 WeakPolarHBondContact O-CG 3.3Å; E102-R106 PolarHBondContact O-N 3.01Å; E102-R106 IonicContact OE1-CZ 3.26Å; E102-R106 VanDerWaalsContact OE1-CZ 3.22Å; E102-R106 IonicContact OE1-NE 2.75Å; E102-R106 PolarHBondContact OE1-NE 3.29Å; E102-R106 IonicContact OE1-NH2 3.18Å; E102-R106 PolarHBondContact OE1-NH2 3.17Å
103	F	98.8	Very high	98.4	Very high	5 Å²	5	21.6 Å²	21.6	2%	0.022	13%	0.125	C	C	.	.	H	α-helix	trans	-58.5	-47.1	171.7	-179.4	-113.2	0	0	0	110.7	V13 F16 Y18 P26 F97 G99 L100 S105 R106 Y107	V13-F103 HydrophobicContact CG2-CD2 4.2Å; V13-F103 HydrophobicContact CG2-CE2 3.92Å; F16-F103 HydrophobicContact CB-CB 4.41Å; F16-F103 HydrophobicContact CB-CD2 4.06Å; F16-F103 HydrophobicContact CB-CG 4.36Å; F16-F103 HydrophobicContact CD1-CB 3.9Å; F16-F103 HydrophobicContact CD2-CB 4.07Å; F16-F103 AromaticContact CD2-CD2 3.62Å; F16-F103 HydrophobicContact CD2-CD2 3.62Å; F16-F103 HydrophobicContact CD2-CG 4.26Å; F16-F103 HydrophobicContact CE1-CB 4.17Å; F16-F103 HydrophobicContact CE2-CB 4.33Å; F16-F103 HydrophobicContact CE2-CD2 4.28Å; F16-F103 HydrophobicContact CG-CB 3.85Å; F16-F103 AromaticContact CG-CD2 3.91Å; F16-F103 HydrophobicContact CG-CD2 3.91Å; F16-F103 HydrophobicContact CG-CG 4.18Å; F16-F103 HydrophobicContact CZ-CB 4.38Å; Y18-F103 HydrophobicContact CE2-CD1 4.23Å; Y18-F103 AromaticContact CE2-CE1 3.84Å; Y18-F103 HydrophobicContact CE2-CE1 3.84Å; Y18-F103 HydrophobicContact CE2-CZ 4.41Å; Y18-F103 WeakPolarHBondContact OH-CE1 3.38Å; P26-F103 HydrophobicContact CB-CE2 3.86Å; P26-F103 HydrophobicContact CB-CZ 4.26Å; P26-F103 HydrophobicContact CG-CE2 3.94Å; P26-F103 HydrophobicContact CG-CZ 3.97Å; F97-F103 HydrophobicContact CE2-CB 4.28Å; F97-F103 HydrophobicContact CZ-CB 4.33Å; F97-F103 HydrophobicContact CZ-CD1 4.11Å; F97-F103 HydrophobicContact CZ-CG 4.46Å; G99-F103 PolarHBondContact O-N 3.32Å; L100-F103 WeakPolarHBondContact O-CB 3.42Å; L100-F103 PolarHBondContact O-N 2.9Å; F103-S105 PolarHBondContact O-N 3.28Å; F103-R106 PolarHBondContact O-N 2.82Å; F103-Y107 AromaticContact CD1-CD1 3.87Å; F103-Y107 HydrophobicContact CD1-CD1 3.87Å; F103-Y107 AromaticContact CD1-CE1 3.86Å; F103-Y107 HydrophobicContact CD1-CE1 3.86Å; F103-Y107 AromaticContact CE1-CD1 3.73Å; F103-Y107 HydrophobicContact CE1-CD1 3.73Å; F103-Y107 AromaticContact CE1-CE1 3.84Å; F103-Y107 HydrophobicContact CE1-CE1 3.84Å; F103-Y107 HydrophobicContact CE2-CD1 4.46Å; F103-Y107 HydrophobicContact CG-CD1 4.29Å; F103-Y107 HydrophobicContact CZ-CD1 4.05Å; F103-Y107 WeakPolarHBondContact O-CD1 3.48Å; F103-Y107 PolarHBondContact O-N 2.97Å; F103-Y107 VanDerWaalsContact O-N 3.11Å
104	C	98.8	Very high	98.6	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-55.8	-47.7	175.2	-60.2	0	0	0	0	112.8	M58 L100 F101 E102 R106 Y107 T108 V147	M58-C104 HydrophobicContact CE-CB 4.26Å; L100-C104 PolarHBondContact O-N 3.25Å; L100-C104 PolarHBondContact O-SG 3.28Å; F101-C104 WeakPolarHBondContact O-CB 3.16Å; F101-C104 PolarHBondContact O-N 2.83Å; E102-C104 VanDerWaalsContact C-N 3.33Å; C104-R106 PolarHBondContact O-N 2.85Å; C104-Y107 HydrophobicContact CB-CE1 4.12Å; C104-T108 WeakPolarHBondContact O-CB 3.39Å; C104-T108 PolarHBondContact O-N 3.04Å; C104-T108 PolarHBondContact O-OG1 2.94Å; C104-V147 HydrophobicContact CB-CB 4.38Å; C104-V147 HydrophobicContact CB-CG2 3.9Å
105	S	98.8	Very high	98.6	Very high	11 Å²	11	16.9 Å²	16.9	8%	0.077	10%	0.1	C	C	.	.	H	α-helix	trans	-60.9	-42.2	178.9	-178.5	0	0	0	0	112.4	K52 A53 M58 F101 E102 F103 G109	K52-S105 WeakPolarHBondContact CB-OG 3.42Å; A53-S105 PolarHBondContact N-O 3.24Å; A53-S105 PolarHBondContact N-OG 2.64Å; A53-S105 WeakPolarHBondContact O-CB 3.32Å; A53-S105 PolarHBondContact O-OG 3.17Å; M58-S105 VanDerWaalsContact CE-CA 3.44Å; F101-S105 WeakPolarHBondContact O-CB 3.08Å; F101-S105 PolarHBondContact O-N 2.86Å; E102-S105 PolarHBondContact O-N 2.83Å; F103-S105 PolarHBondContact O-N 3.28Å; S105-G109 PolarHBondContact O-N 3.47Å
106	R	98.8	Very high	98.6	Very high	12 Å²	12	16 Å²	16	5%	0.045	9%	0.094	C	C	.	.	H	α-helix	trans	-69.5	-50	-178.3	-71.4	175.7	-170.1	-103.6	22.7	112.5	D10 D12 K52 E102 F103 C104 T108 A110	D10-R106 IonicContact OD1-CZ 2.76Å; D10-R106 IonicContact OD1-NH1 3.69Å; D10-R106 PolarHBondContact OD1-NH1 3.46Å; D10-R106 IonicContact OD2-CZ 2.67Å; D10-R106 IonicContact OD2-NH1 3.73Å; D10-R106 PolarHBondContact OD2-NH1 3.41Å; D12-R106 VanDerWaalsContact CB-CZ 3.44Å; D12-R106 IonicContact OD2-CZ 2.72Å; D12-R106 IonicContact OD2-NH1 3.42Å; D12-R106 PolarHBondContact OD2-NH1 3.35Å; D12-R106 IonicContact OD2-NH2 3.87Å; D12-R106 PolarHBondContact OD2-NH2 3.48Å; K52-R106 VanDerWaalsContact CE-CZ 3.41Å; K52-R106 HydrophobicContact CG-CG 4.29Å; K52-R106 VanDerWaalsContact NZ-CZ 3.31Å; K52-R106 VanDerWaalsContact NZ-NH2 3.13Å; E102-R106 WeakPolarHBondContact O-CG 3.3Å; E102-R106 PolarHBondContact O-N 3.01Å; E102-R106 IonicContact OE1-CZ 3.26Å; E102-R106 VanDerWaalsContact OE1-CZ 3.22Å; E102-R106 IonicContact OE1-NE 2.75Å; E102-R106 PolarHBondContact OE1-NE 3.29Å; E102-R106 IonicContact OE1-NH2 3.18Å; E102-R106 PolarHBondContact OE1-NH2 3.17Å; F103-R106 PolarHBondContact O-N 2.82Å; C104-R106 PolarHBondContact O-N 2.85Å; R106-T108 VanDerWaalsContact C-N 3.34Å; R106-A110 PolarHBondContact O-N 3.18Å
107	Y	98.8	Very high	98.7	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-69.1	-36	-179	73.3	-114.9	0	0	0	111.9	F103 C104 S111 N128 A130 L133 V147 D149	F103-Y107 AromaticContact CD1-CD1 3.87Å; F103-Y107 HydrophobicContact CD1-CD1 3.87Å; F103-Y107 AromaticContact CD1-CE1 3.86Å; F103-Y107 HydrophobicContact CD1-CE1 3.86Å; F103-Y107 AromaticContact CE1-CD1 3.73Å; F103-Y107 HydrophobicContact CE1-CD1 3.73Å; F103-Y107 AromaticContact CE1-CE1 3.84Å; F103-Y107 HydrophobicContact CE1-CE1 3.84Å; F103-Y107 HydrophobicContact CE2-CD1 4.46Å; F103-Y107 HydrophobicContact CG-CD1 4.29Å; F103-Y107 HydrophobicContact CZ-CD1 4.05Å; F103-Y107 WeakPolarHBondContact O-CD1 3.48Å; F103-Y107 PolarHBondContact O-N 2.97Å; F103-Y107 VanDerWaalsContact O-N 3.11Å; C104-Y107 HydrophobicContact CB-CE1 4.12Å; Y107-S111 PolarHBondContact O-N 3.27Å; Y107-S111 PolarHBondContact O-OG 3.2Å; Y107-N128 PolarHBondContact O-ND2 2.89Å; Y107-A130 VanDerWaalsContact CB-O 3.29Å; Y107-A130 WeakPolarHBondContact CB-O 3.37Å; Y107-L133 HydrophobicContact CD1-CD2 4.23Å; Y107-L133 HydrophobicContact CE1-CD2 3.55Å; Y107-L133 HydrophobicContact CE2-CB 4.32Å; Y107-L133 HydrophobicContact CE2-CD2 4.09Å; Y107-V147 HydrophobicContact CE2-CB 4.36Å; Y107-V147 VanDerWaalsContact CE2-O 3.29Å; Y107-V147 WeakPolarHBondContact CE2-O 3.35Å; Y107-V147 WeakPolarHBondContact OH-CA 3.21Å; Y107-V147 WeakPolarHBondContact OH-CB 3.17Å; Y107-V147 PolarHBondContact OH-N 3.3Å; Y107-V147 PolarHBondContact OH-O 3.45Å; Y107-D149 HydrophobicContact CD2-CB 3.79Å; Y107-D149 HydrophobicContact CE2-CB 3.86Å
108	T	98.9	Very high	98.7	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.006	9%	0.087	C	C	.	.	H	α-helix	trans	-69.2	-43.3	178.9	-56.8	0	0	0	0	111.3	A53 C104 R106 A110 S111 L112 V147 D149 I152	A53-T108 HydrophobicContact CB-CG2 3.72Å; C104-T108 WeakPolarHBondContact O-CB 3.39Å; C104-T108 PolarHBondContact O-N 3.04Å; C104-T108 PolarHBondContact O-OG1 2.94Å; R106-T108 VanDerWaalsContact C-N 3.34Å; T108-A110 VanDerWaalsContact C-N 3.3Å; T108-A110 PolarHBondContact O-N 2.85Å; T108-S111 PolarHBondContact O-N 2.88Å; T108-L112 WeakPolarHBondContact O-CB 3.37Å; T108-L112 PolarHBondContact O-N 3.32Å; T108-V147 HydrophobicContact CG2-CG1 4.15Å; T108-V147 WeakPolarHBondContact OG1-CG1 3.37Å; T108-D149 HydrophobicContact CG2-CB 4.29Å; T108-I152 HydrophobicContact CG2-CD1 3.73Å; T108-I152 HydrophobicContact CG2-CG2 4.48Å
109	G	98.8	Very high	98.7	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-65	-34.7	-178.4	0	0	0	0	0	112.8	Y51 S105 Q113	Y51-G109 CarbonylContact O-C 3.58Å; Y51-G109 VanDerWaalsContact O-CA 3.25Å; Y51-G109 WeakPolarHBondContact O-CA 3.48Å; S105-G109 PolarHBondContact O-N 3.47Å; G109-Q113 VanDerWaalsContact O-CB 3.24Å; G109-Q113 WeakPolarHBondContact O-CB 3.41Å; G109-Q113 PolarHBondContact O-N 3.46Å
110	A	98.8	Very high	98.7	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.008	5%	0.054	C	C	.	.	H	α-helix	trans	-65	-45.7	173.1	0	0	0	0	0	112.8	F8 P50 R106 T108 Q113 G114 N128	F8-A110 HydrophobicContact CB-CB 3.84Å; F8-A110 HydrophobicContact CG-CB 4.47Å; P50-A110 HydrophobicContact CB-CB 3.53Å; P50-A110 HydrophobicContact CG-CB 3.93Å; R106-A110 PolarHBondContact O-N 3.18Å; T108-A110 VanDerWaalsContact C-N 3.3Å; T108-A110 PolarHBondContact O-N 2.85Å; A110-Q113 PolarHBondContact O-N 3.22Å; A110-G114 PolarHBondContact O-N 3.45Å; A110-N128 HydrophobicContact CB-CB 4.17Å; A110-N128 VanDerWaalsContact CB-ND2 3.34Å; A110-N128 WeakPolarHBondContact CB-ND2 3.44Å; A110-N128 WeakPolarHBondContact CB-OD1 3.42Å
111	S	98.9	Very high	98.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-64.3	-42.1	176.5	-59.9	0	0	0	0	111.5	Y107 T108 G114 A115 N128 D149 S153 L293	Y107-S111 PolarHBondContact O-N 3.27Å; Y107-S111 PolarHBondContact O-OG 3.2Å; T108-S111 PolarHBondContact O-N 2.88Å; S111-G114 PolarHBondContact O-N 3.46Å; S111-A115 PolarHBondContact O-N 2.9Å; S111-N128 PolarHBondContact N-ND2 2.98Å; S111-N128 VanDerWaalsContact N-ND2 3.18Å; S111-N128 PolarHBondContact OG-ND2 2.68Å; S111-D149 WeakPolarHBondContact CB-OD2 3.44Å; S111-D149 PolarHBondContact OG-OD2 3.42Å; S111-S153 WeakPolarHBondContact CB-OG 3.37Å; S111-S153 PolarHBondContact O-OG 3.27Å; S111-L293 WeakPolarHBondContact OG-CD2 3.37Å
112	L	98.8	Very high	98.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-65.6	-43.3	178.3	-178.8	55.4	0	0	0	111.1	D57 T108 G114 A115 T116 I152 S153 E156 V384	D57-L112 HydrophobicContact CB-CD2 3.87Å; T108-L112 WeakPolarHBondContact O-CB 3.37Å; T108-L112 PolarHBondContact O-N 3.32Å; L112-G114 VanDerWaalsContact C-N 3.34Å; L112-G114 PolarHBondContact O-N 3.01Å; L112-A115 PolarHBondContact O-N 3.07Å; L112-T116 WeakPolarHBondContact O-CG2 3.43Å; L112-T116 PolarHBondContact O-N 3.2Å; L112-I152 HydrophobicContact CD1-CG2 4.24Å; L112-I152 HydrophobicContact CD2-CG2 4.36Å; L112-S153 PolarHBondContact N-OG 3.47Å; L112-E156 HydrophobicContact CD1-CB 3.75Å; L112-E156 HydrophobicContact CD1-CG 3.84Å; L112-V384 HydrophobicContact CD2-CG1 4.07Å
113	Q	98.8	Very high	98.6	Very high	22 Å²	22	16.1 Å²	16.1	10%	0.103	8%	0.076	C	C	.	.	H	α-helix	trans	-62.9	-41.1	175.2	-169.4	176	8.6	0	0	111.7	F8 G109 A110 A115 T116 Q117 L385 Y387	F8-Q113 HydrophobicContact CD1-CB 4.43Å; F8-Q113 HydrophobicContact CD1-CG 4.35Å; F8-Q113 HydrophobicContact CE1-CB 4Å; F8-Q113 HydrophobicContact CE1-CG 3.6Å; F8-Q113 HydrophobicContact CZ-CB 4.47Å; F8-Q113 HydrophobicContact CZ-CG 4.19Å; G109-Q113 VanDerWaalsContact O-CB 3.24Å; G109-Q113 WeakPolarHBondContact O-CB 3.41Å; G109-Q113 PolarHBondContact O-N 3.46Å; A110-Q113 PolarHBondContact O-N 3.22Å; Q113-A115 PolarHBondContact O-N 2.93Å; Q113-T116 WeakPolarHBondContact CA-OG1 3.41Å; Q113-T116 PolarHBondContact O-N 3.05Å; Q113-T116 PolarHBondContact O-OG1 2.86Å; Q113-Q117 WeakPolarHBondContact O-CG 3.26Å; Q113-Q117 PolarHBondContact O-N 2.89Å; Q113-L385 HydrophobicContact CB-CD1 4Å; Q113-L385 HydrophobicContact CG-CD1 3.86Å; Q113-Y387 WeakPolarHBondContact CG-OH 3Å
114	G	98.8	Very high	98.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-57.4	-46.7	172.6	0	0	0	0	0	112.8	F8 A110 S111 L112 T116 Q117 L118	F8-G114 VanDerWaalsContact CE2-CA 3.47Å; A110-G114 PolarHBondContact O-N 3.45Å; S111-G114 PolarHBondContact O-N 3.46Å; L112-G114 VanDerWaalsContact C-N 3.34Å; L112-G114 PolarHBondContact O-N 3.01Å; G114-T116 PolarHBondContact O-N 3.35Å; G114-Q117 PolarHBondContact O-N 2.86Å; G114-L118 WeakPolarHBondContact O-CG 3.32Å; G114-L118 PolarHBondContact O-N 3.29Å; G114-L118 VanDerWaalsContact O-N 3.08Å
115	A	98.8	Very high	98.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60.6	-44.7	176	0	0	0	0	0	112.6	S111 L112 Q113 Q117 L118 N119 E156 L157	S111-A115 PolarHBondContact O-N 2.9Å; L112-A115 PolarHBondContact O-N 3.07Å; Q113-A115 PolarHBondContact O-N 2.93Å; A115-Q117 PolarHBondContact O-N 2.68Å; A115-L118 PolarHBondContact O-N 3.38Å; A115-N119 PolarHBondContact O-N 2.71Å; A115-E156 HydrophobicContact CB-CB 4.01Å; A115-E156 HydrophobicContact CB-CG 4.25Å; A115-L157 HydrophobicContact CB-CD2 4.01Å; A115-L157 HydrophobicContact CB-CG 3.94Å
116	T	98.6	Very high	98.6	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.012	9%	0.086	C	C	.	.	H	α-helix	trans	-61.5	-41.1	176.1	60.1	0	0	0	0	112.4	L112 Q113 G114 L118 N119 H120 E156 L385	L112-T116 WeakPolarHBondContact O-CG2 3.43Å; L112-T116 PolarHBondContact O-N 3.2Å; Q113-T116 WeakPolarHBondContact CA-OG1 3.41Å; Q113-T116 PolarHBondContact O-N 3.05Å; Q113-T116 PolarHBondContact O-OG1 2.86Å; G114-T116 PolarHBondContact O-N 3.35Å; T116-L118 VanDerWaalsContact C-N 3.32Å; T116-L118 PolarHBondContact O-N 3.46Å; T116-N119 PolarHBondContact O-N 2.83Å; T116-H120 WeakPolarHBondContact O-CB 3.39Å; T116-H120 PolarHBondContact O-N 3.27Å; T116-E156 HydrophobicContact CG2-CG 3.8Å; T116-L385 HydrophobicContact CG2-CB 4.33Å; T116-L385 HydrophobicContact CG2-CD1 4.26Å; T116-L385 HydrophobicContact CG2-CG 4.39Å
117	Q	98.6	Very high	98.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-66.1	-33.3	178.1	-73.3	-169.7	14.7	0	0	112.8	S6 F8 Q113 G114 A115 K121 I122 Y387	S6-Q117 VanDerWaalsContact CB-OE1 3.22Å; S6-Q117 PolarHBondContact OG-OE1 2.84Å; F8-Q117 HydrophobicContact CZ-CG 4.41Å; Q113-Q117 WeakPolarHBondContact O-CG 3.26Å; Q113-Q117 PolarHBondContact O-N 2.89Å; G114-Q117 PolarHBondContact O-N 2.86Å; A115-Q117 PolarHBondContact O-N 2.68Å; Q117-K121 PolarHBondContact O-N 3.39Å; Q117-K121 VanDerWaalsContact O-N 3.14Å; Q117-I122 HydrophobicContact CB-CB 4.07Å; Q117-I122 HydrophobicContact CG-CB 4.29Å; Q117-I122 HydrophobicContact CG-CG2 4.42Å; Q117-I122 PolarHBondContact O-N 2.83Å; Q117-Y387 HydrophobicContact CG-CE1 4.41Å; Q117-Y387 HydrophobicContact CG-CE2 4.47Å; Q117-Y387 VanDerWaalsContact CG-OH 3.24Å; Q117-Y387 WeakPolarHBondContact CG-OH 3.28Å; Q117-Y387 PolarHBondContact NE2-OH 3.06Å
118	L	98.6	Very high	98.6	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.021	8%	0.084	C	C	.	.	H	α-helix	trans	-68.3	-46.9	173.3	-68.6	169.8	0	0	0	111.3	G114 A115 T116 H120 K121 A126 L157 P289 L291	G114-L118 WeakPolarHBondContact O-CG 3.32Å; G114-L118 PolarHBondContact O-N 3.29Å; G114-L118 VanDerWaalsContact O-N 3.08Å; A115-L118 PolarHBondContact O-N 3.38Å; T116-L118 VanDerWaalsContact C-N 3.32Å; T116-L118 PolarHBondContact O-N 3.46Å; L118-H120 VanDerWaalsContact C-N 3.3Å; L118-H120 PolarHBondContact O-N 3.35Å; L118-K121 PolarHBondContact O-N 2.93Å; L118-A126 HydrophobicContact CD1-CB 4.14Å; L118-A126 HydrophobicContact CD2-CB 4.43Å; L118-A126 HydrophobicContact CG-CB 4.12Å; L118-L157 HydrophobicContact CB-CD2 4.12Å; L118-L157 HydrophobicContact CD1-CD2 4.33Å; L118-P289 HydrophobicContact CD2-CB 4.13Å; L118-L291 HydrophobicContact CD1-CB 3.73Å
119	N	98.4	Very high	98.6	Very high	9 Å²	9	18 Å²	18	5%	0.048	9%	0.085	C	C	.	.	H	α-helix	trans	-56.2	-44.4	176.4	-77.9	-14.7	0	0	0	112.1	A115 T116 K121 E156 L157 Y160 H161	A115-N119 PolarHBondContact O-N 2.71Å; T116-N119 PolarHBondContact O-N 2.83Å; N119-K121 PolarHBondContact O-N 3.27Å; N119-E156 PolarHBondContact ND2-O 3.22Å; N119-L157 WeakPolarHBondContact OD1-CA 3.4Å; N119-Y160 HydrophobicContact CB-CD2 3.52Å; N119-Y160 HydrophobicContact CB-CE2 3.88Å; N119-Y160 HydrophobicContact CB-CG 3.92Å; N119-Y160 VanDerWaalsContact ND2-CD2 3.28Å; N119-Y160 WeakPolarHBondContact ND2-CD2 3.42Å; N119-H161 PolarHBondContact OD1-CD2 3.19Å; N119-H161 VanDerWaalsContact OD1-CD2 3.27Å
120	H	97.6	Very high	98.6	Very high	50 Å²	50	18.5 Å²	18.5	23%	0.231	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	5.2	179.1	-66.8	178.2	0	0	0	113.7	T116 L118 I122 D383 Y387	T116-H120 WeakPolarHBondContact O-CB 3.39Å; T116-H120 PolarHBondContact O-N 3.27Å; L118-H120 VanDerWaalsContact C-N 3.3Å; L118-H120 PolarHBondContact O-N 3.35Å; H120-I122 HydrophobicContact CB-CD1 4.42Å; H120-I122 HydrophobicContact CB-CG1 3.94Å; H120-I122 PolarHBondContact O-N 3.18Å; H120-I122 VanDerWaalsContact O-N 3.15Å; H120-D383 IonicContact CD2-OD2 2.9Å; H120-D383 IonicContact CE1-OD2 2.7Å; H120-D383 PolarHBondContact CE1-OD2 3.15Å; H120-D383 VanDerWaalsContact CE1-OD2 3.28Å; H120-D383 IonicContact NE2-OD1 2.72Å; H120-D383 IonicContact NE2-OD2 3.32Å; H120-D383 PolarHBondContact NE2-OD2 3.16Å; H120-Y387 AromaticContact CE1-CD2 3.83Å; H120-Y387 AromaticContact ND1-CD2 3.21Å; H120-Y387 WeakPolarHBondContact ND1-CD2 3.29Å; H120-Y387 AromaticContact ND1-CG 3.89Å
121	K	97.8	Very high	98.6	Very high	158 Å²	158	18.4 Å²	18.4	69%	0.687	9%	0.089	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	29.5	177.3	-51.8	176.4	-176.1	172.5	0	113.3	R4 Q117 L118 N119	R4-K121 VanDerWaalsContact CZ-O 3.25Å; R4-K121 PolarHBondContact NH1-O 3.36Å; R4-K121 PolarHBondContact NH2-O 2.93Å; Q117-K121 PolarHBondContact O-N 3.39Å; Q117-K121 VanDerWaalsContact O-N 3.14Å; L118-K121 PolarHBondContact O-N 2.93Å; N119-K121 PolarHBondContact O-N 3.27Å
122	I	98	Very high	98.6	Very high	61 Å²	61	18.5 Å²	18.5	31%	0.313	9%	0.09	S	C	.	.	S	Bend	trans	-70.7	-40	175.2	-57.4	-59.4	0	0	0	110	R4 Q117 H120	R4-I122 PolarHBondContact NH1-O 3.32Å; R4-I122 VanDerWaalsContact NH1-O 3.11Å; Q117-I122 HydrophobicContact CB-CB 4.07Å; Q117-I122 HydrophobicContact CG-CB 4.29Å; Q117-I122 HydrophobicContact CG-CG2 4.42Å; Q117-I122 PolarHBondContact O-N 2.83Å; H120-I122 HydrophobicContact CB-CD1 4.42Å; H120-I122 HydrophobicContact CB-CG1 3.94Å; H120-I122 PolarHBondContact O-N 3.18Å; H120-I122 VanDerWaalsContact O-N 3.15Å
123	C	98.2	Very high	98.6	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.014	9%	0.091	C	C	.	.			trans	-128.1	161.5	174.6	62.7	0	0	0	0	111.2	R4 S6 M46	R4-C123 WeakPolarHBondContact O-CB 3.42Å; S6-C123 WeakPolarHBondContact OG-CB 3.44Å; M46-C123 HydrophobicContact CE-CB 4.38Å
124	D	98.6	Very high	98.6	Very high	56 Å²	56	17.9 Å²	17.9	30%	0.299	9%	0.087	S	C	.	.	S	Bend	trans	-97.5	-26.9	171.5	-46	-53.6	0	0	0	110.3	N3 R4 P289 L290	N3-D124 HydrophobicContact CB-CB 4.27Å; R4-D124 WeakPolarHBondContact CB-OD2 3.48Å; R4-D124 IonicContact CZ-OD1 3.28Å; R4-D124 PolarHBondContact N-OD2 2.87Å; R4-D124 IonicContact NE-OD1 3.74Å; R4-D124 IonicContact NE-OD2 3.8Å; R4-D124 PolarHBondContact NE-OD2 2.87Å; R4-D124 IonicContact NH2-OD1 3.95Å; R4-D124 PolarHBondContact NH2-OD1 3.4Å; R4-D124 PolarHBondContact O-N 2.78Å; D124-P289 WeakPolarHBondContact O-CA 3.35Å; D124-L290 PolarHBondContact O-N 3.44Å
125	I	98.9	Very high	98.6	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.021	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	131.9	175.2	-57.5	175.4	0	0	0	109.3	N3 R4 T5 S6 I127 K284 L290 V292 L314	N3-I125 HydrophobicContact CB-CD1 4.11Å; N3-I125 HydrophobicContact CB-CG1 4.47Å; R4-I125 PolarHBondContact O-N 3.34Å; R4-I125 VanDerWaalsContact O-N 3.14Å; T5-I125 CarbonylContact C-O 3.43Å; T5-I125 WeakPolarHBondContact CA-O 3.45Å; T5-I125 HydrophobicContact CG2-CB 4.25Å; T5-I125 HydrophobicContact CG2-CG2 4.17Å; S6-I125 PolarHBondContact N-O 2.83Å; I125-I127 HydrophobicContact CG2-CG1 4.02Å; I125-K284 HydrophobicContact CD1-CD 3.95Å; I125-K284 HydrophobicContact CD1-CG 4.36Å; I125-L290 CarbonylContact C-O 3.41Å; I125-L290 VanDerWaalsContact CA-O 3.28Å; I125-L290 WeakPolarHBondContact CA-O 3.3Å; I125-L290 HydrophobicContact CG1-CB 4.38Å; I125-V292 HydrophobicContact CG2-CG2 4.2Å; I125-L314 HydrophobicContact CD1-CD2 4.13Å; I125-L314 HydrophobicContact CG2-CD2 4.1Å
126	A	98.9	Very high	98.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.4	172.3	0	0	0	0	0	109.7	S6 F8 L118 L290 L291 V292	S6-A126 CarbonylContact O-C 3.41Å; S6-A126 WeakPolarHBondContact O-CA 3.34Å; F8-A126 HydrophobicContact CE2-CB 4Å; L118-A126 HydrophobicContact CD1-CB 4.14Å; L118-A126 HydrophobicContact CD2-CB 4.43Å; L118-A126 HydrophobicContact CG-CB 4.12Å; A126-L290 PolarHBondContact N-O 3.33Å; A126-L291 HydrophobicContact CB-CD1 3.75Å; A126-L291 CarbonylContact O-C 3.59Å; A126-L291 WeakPolarHBondContact O-CA 3.2Å; A126-V292 PolarHBondContact O-N 2.83Å
127	I	98.9	Very high	98.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	120.8	-176	-52.8	175	0	0	0	110	T5 S6 Y7 F8 I125 W129 V292 T311 L314	T5-I127 HydrophobicContact CG2-CD1 3.55Å; T5-I127 HydrophobicContact CG2-CG1 4.01Å; S6-I127 PolarHBondContact O-N 3.18Å; Y7-I127 HydrophobicContact CD2-CB 3.97Å; Y7-I127 HydrophobicContact CD2-CD1 4.49Å; Y7-I127 HydrophobicContact CD2-CG2 3.86Å; Y7-I127 HydrophobicContact CE2-CG2 4.23Å; F8-I127 WeakPolarHBondContact CD2-O 3.28Å; F8-I127 PolarHBondContact N-O 3.15Å; I125-I127 HydrophobicContact CG2-CG1 4.02Å; I127-W129 HydrophobicContact CG2-CD2 3.91Å; I127-W129 VanDerWaalsContact CG2-CE2 3.46Å; I127-W129 HydrophobicContact CG2-CG 4.27Å; I127-W129 HydrophobicContact CG2-CH2 4.43Å; I127-W129 HydrophobicContact CG2-CZ2 3.76Å; I127-V292 WeakPolarHBondContact CA-O 3.35Å; I127-V292 HydrophobicContact CG1-CB 4.43Å; I127-T311 HydrophobicContact CD1-CG2 4.29Å; I127-L314 HydrophobicContact CD1-CB 4.19Å; I127-L314 HydrophobicContact CD1-CD1 3.53Å; I127-L314 HydrophobicContact CD1-CG 4.5Å; I127-L314 HydrophobicContact CG1-CD1 3.92Å
128	N	98.9	Very high	98.6	Very high	2 Å²	2	23 Å²	23	1%	0.011	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	94.9	170	175.6	28.8	0	0	0	111.2	F8 Y107 A110 S111 A130 G131 V292 L293 G294	F8-N128 HydrophobicContact CB-CB 4.47Å; Y107-N128 PolarHBondContact O-ND2 2.89Å; A110-N128 HydrophobicContact CB-CB 4.17Å; A110-N128 VanDerWaalsContact CB-ND2 3.34Å; A110-N128 WeakPolarHBondContact CB-ND2 3.44Å; A110-N128 WeakPolarHBondContact CB-OD1 3.42Å; S111-N128 PolarHBondContact N-ND2 2.98Å; S111-N128 VanDerWaalsContact N-ND2 3.18Å; S111-N128 PolarHBondContact OG-ND2 2.68Å; N128-A130 PolarHBondContact O-N 2.79Å; N128-A130 WeakPolarHBondContact OD1-CB 3.34Å; N128-A130 PolarHBondContact OD1-N 3.25Å; N128-A130 VanDerWaalsContact OD1-N 3.09Å; N128-G131 PolarHBondContact ND2-N 3.32Å; N128-G131 PolarHBondContact O-N 2.78Å; N128-V292 PolarHBondContact N-O 3.33Å; N128-L293 HydrophobicContact CB-CD2 3.96Å; N128-L293 WeakPolarHBondContact O-CA 3.39Å; N128-G294 PolarHBondContact O-N 3.23Å
129	W	98.9	Very high	98.6	Very high	6 Å²	6	28.5 Å²	28.5	2%	0.023	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-18	177.4	-62.5	132.9	0	0	0	114.2	Y7 L29 T32 I127 C256 V292 L293 W307 E310 T311	Y7-W129 AromaticContact CE2-CD1 3.55Å; Y7-W129 AromaticContact CE2-NE1 3.71Å; L29-W129 VanDerWaalsContact CD2-C 3.42Å; L29-W129 HydrophobicContact CD2-CB 4Å; L29-W129 WeakPolarHBondContact CD2-O 3.39Å; T32-W129 HydrophobicContact CG2-CG 4.41Å; I127-W129 HydrophobicContact CG2-CD2 3.91Å; I127-W129 VanDerWaalsContact CG2-CE2 3.46Å; I127-W129 HydrophobicContact CG2-CG 4.27Å; I127-W129 HydrophobicContact CG2-CH2 4.43Å; I127-W129 HydrophobicContact CG2-CZ2 3.76Å; W129-C256 HydrophobicContact CZ3-CB 3.87Å; W129-V292 HydrophobicContact CH2-CG1 3.54Å; W129-V292 HydrophobicContact CZ2-CG1 4.45Å; W129-V292 HydrophobicContact CZ3-CG1 3.64Å; W129-L293 WeakPolarHBondContact CZ3-O 3.3Å; W129-W307 HydrophobicContact CB-CD2 4.35Å; W129-W307 HydrophobicContact CB-CE3 3.88Å; W129-W307 HydrophobicContact CB-CZ3 4.06Å; W129-W307 HydrophobicContact CD2-CB 3.81Å; W129-W307 HydrophobicContact CD2-CD2 4.07Å; W129-W307 HydrophobicContact CD2-CE3 4.44Å; W129-W307 AromaticContact CD2-CG 3.82Å; W129-W307 HydrophobicContact CD2-CG 3.82Å; W129-W307 HydrophobicContact CE3-CB 4.18Å; W129-W307 AromaticContact CE3-CD1 3.76Å; W129-W307 AromaticContact CE3-CD2 3.91Å; W129-W307 HydrophobicContact CE3-CD2 3.91Å; W129-W307 AromaticContact CE3-CG 3.72Å; W129-W307 HydrophobicContact CE3-CG 3.72Å; W129-W307 AromaticContact CE3-NE1 3.97Å; W129-W307 HydrophobicContact CG-CB 4.2Å; W129-W307 HydrophobicContact CG-CD2 4.28Å; W129-W307 HydrophobicContact CG-CE3 4.16Å; W129-W307 HydrophobicContact CG-CG 4.35Å; W129-W307 HydrophobicContact CH2-CB 4.37Å; W129-W307 HydrophobicContact CH2-CG 4.35Å; W129-W307 HydrophobicContact CZ2-CB 4.02Å; W129-W307 HydrophobicContact CZ2-CG 4.44Å; W129-W307 WeakPolarHBondContact CZ2-O 3.48Å; W129-W307 HydrophobicContact CZ3-CB 4.45Å; W129-W307 AromaticContact CZ3-CD1 3.65Å; W129-W307 HydrophobicContact CZ3-CG 4.02Å; W129-W307 WeakPolarHBondContact O-CH2 3.38Å; W129-E310 HydrophobicContact CH2-CB 4Å; W129-E310 WeakPolarHBondContact CH2-OE2 3.45Å; W129-E310 HydrophobicContact CZ2-CB 4.19Å; W129-T311 WeakPolarHBondContact CZ2-OG1 3.37Å; W129-T311 PolarHBondContact NE1-OG1 2.86Å
130	A	98.9	Very high	98.6	Very high	11 Å²	11	31.8 Å²	31.8	9%	0.091	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-25.7	178.9	0	0	0	0	0	113.2	V13 L29 Y107 N128	V13-A130 HydrophobicContact CG2-CB 3.87Å; L29-A130 HydrophobicContact CD1-CB 3.78Å; L29-A130 HydrophobicContact CD2-CB 4.24Å; Y107-A130 VanDerWaalsContact CB-O 3.29Å; Y107-A130 WeakPolarHBondContact CB-O 3.37Å; N128-A130 PolarHBondContact O-N 2.79Å; N128-A130 WeakPolarHBondContact OD1-CB 3.34Å; N128-A130 PolarHBondContact OD1-N 3.25Å; N128-A130 VanDerWaalsContact OD1-N 3.09Å
131	G	98.8	Very high	98.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.137	C	C	.	.			trans	-84.4	-162.5	179.4	0	0	0	0	0	113.3	N128 D149 G294 G295	N128-G131 PolarHBondContact ND2-N 3.32Å; N128-G131 PolarHBondContact O-N 2.78Å; G131-D149 WeakPolarHBondContact CA-OD2 3.29Å; G131-G294 CarbonylContact O-C 3.55Å; G131-G294 WeakPolarHBondContact O-CA 3.48Å; G131-G294 PolarHBondContact O-N 2.85Å; G131-G295 PolarHBondContact O-N 3.16Å
132	G	98.8	Very high	98.7	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.01	11%	0.11	C	C	.	.			trans	89.3	24.5	-178.8	0	0	0	0	0	113.6	H134 D149	G132-H134 VanDerWaalsContact C-N 3.31Å; G132-H134 PolarHBondContact O-N 3.05Å; G132-D149 PolarHBondContact N-OD1 3.02Å; G132-D149 PolarHBondContact N-OD2 3.36Å
133	L	98.9	Very high	98.7	Very high	6 Å²	6	20.2 Å²	20.2	3%	0.031	10%	0.099	C	C	.	.			trans	-83.4	73.5	-176.9	-89	70.5	0	0	0	111	Y107 H135 C145 D149	Y107-L133 HydrophobicContact CD1-CD2 4.23Å; Y107-L133 HydrophobicContact CE1-CD2 3.55Å; Y107-L133 HydrophobicContact CE2-CB 4.32Å; Y107-L133 HydrophobicContact CE2-CD2 4.09Å; L133-H135 PolarHBondContact O-N 3.26Å; L133-C145 VanDerWaalsContact C-SG 3.51Å; L133-C145 VanDerWaalsContact CA-SG 3.56Å; L133-C145 HydrophobicContact CB-CB 3.87Å; L133-C145 VanDerWaalsContact CB-SG 3.59Å; L133-C145 HydrophobicContact CD2-CB 4.38Å; L133-C145 HydrophobicContact CG-CB 4.28Å; L133-D149 PolarHBondContact N-OD1 3.15Å
134	H	98.9	Very high	98.7	Very high	4 Å²	4	21.1 Å²	21.1	2%	0.019	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-14.6	-165	65.1	176.1	0	0	0	116.5	G132 N148 I150 D168 D170 H172 G174 G176 V177	G132-H134 VanDerWaalsContact C-N 3.31Å; G132-H134 PolarHBondContact O-N 3.05Å; H134-N148 PolarHBondContact O-ND2 2.9Å; H134-I150 HydrophobicContact CB-CD1 3.59Å; H134-D168 IonicContact CE1-OD1 3.18Å; H134-D168 IonicContact CE1-OD2 2.63Å; H134-D168 IonicContact CG-OD2 3.17Å; H134-D168 IonicContact ND1-OD1 3.25Å; H134-D168 IonicContact ND1-OD2 2.8Å; H134-D168 PolarHBondContact ND1-OD2 2.9Å; H134-D170 VanDerWaalsContact CE1-CB 3.46Å; H134-D170 WeakPolarHBondContact CE1-CB 3.36Å; H134-D170 VanDerWaalsContact CE1-CG 3.49Å; H134-D170 IonicContact CE1-OD1 3.51Å; H134-D170 IonicContact CE1-OD2 3.08Å; H134-D170 IonicContact NE2-OD1 3.9Å; H134-D170 IonicContact NE2-OD2 3.6Å; H134-H172 PolarHBondContact CE1-O 2.9Å; H134-G174 WeakPolarHBondContact ND1-CA 3.24Å; H134-G176 WeakPolarHBondContact O-CA 3.23Å; H134-G176 PolarHBondContact O-N 3.17Å; H134-G176 VanDerWaalsContact O-N 3.14Å; H134-V177 HydrophobicContact CB-CG2 4.02Å
135	H	98.9	Very high	98.7	Very high	4 Å²	4	18.8 Å²	18.8	2%	0.019	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-18.5	-174.8	-68.8	-48.9	0	0	0	113.9	L133 K137 S142 C145 H172 H173 D175 F200	L133-H135 PolarHBondContact O-N 3.26Å; H135-K137 PolarHBondContact O-N 3.45Å; H135-K137 PolarHBondContact O-NZ 3.26Å; H135-S142 VanDerWaalsContact CB-O 3.23Å; H135-S142 WeakPolarHBondContact CB-O 3.39Å; H135-S142 WeakPolarHBondContact O-CB 3.25Å; H135-C145 HydrophobicContact CB-CB 4.04Å; H135-H172 WeakPolarHBondContact NE2-CB 3.35Å; H135-H172 AromaticContact NE2-CG 3.87Å; H135-H173 PolarHBondContact CE1-O 3.29Å; H135-D175 WeakPolarHBondContact CA-OD1 3.39Å; H135-D175 IonicContact CE1-OD1 3.91Å; H135-D175 IonicContact CG-OD1 3.92Å; H135-D175 IonicContact ND1-OD1 2.92Å; H135-D175 PolarHBondContact ND1-OD1 3.15Å; H135-F200 AromaticContact CD2-CE1 3.62Å; H135-F200 AromaticContact CE1-CE1 3.61Å; H135-F200 AromaticContact CG-CE1 3.8Å; H135-F200 AromaticContact ND1-CE1 3.79Å; H135-F200 AromaticContact NE2-CD1 3.84Å; H135-F200 AromaticContact NE2-CE1 3.45Å; H135-F200 WeakPolarHBondContact NE2-CE1 3.41Å
136	A	98.8	Very high	98.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.09	C	C	.	.			trans	-60.3	132.1	-177.5	0	0	0	0	0	110.8	C145 Y146 N148	A136-C145 HydrophobicContact CB-CB 3.75Å; A136-Y146 WeakPolarHBondContact CB-O 3.45Å; A136-N148 HydrophobicContact CB-CB 3.81Å; A136-N148 PolarHBondContact O-ND2 3.41Å
137	K	98.8	Very high	98.7	Very high	16 Å²	16	18.6 Å²	18.6	7%	0.07	9%	0.09	C	C	.	.			trans	-100	171.1	-177.5	-59.3	-67.7	-179.1	-82.6	0	110.3	H62 H135 F139 E140 D175	H62-K137 PolarHBondContact CE1-O 3.04Å; H62-K137 PolarHBondContact ND1-O 3.29Å; H135-K137 PolarHBondContact O-N 3.45Å; H135-K137 PolarHBondContact O-NZ 3.26Å; K137-F139 VanDerWaalsContact C-N 3.27Å; K137-F139 PolarHBondContact O-N 2.83Å; K137-E140 HydrophobicContact CB-CG 3.81Å; K137-E140 HydrophobicContact CG-CG 4.16Å; K137-E140 PolarHBondContact N-O 2.56Å; K137-D175 WeakPolarHBondContact CE-OD2 3.41Å; K137-D175 IonicContact NZ-OD1 2.68Å; K137-D175 PolarHBondContact NZ-OD1 3.46Å; K137-D175 IonicContact NZ-OD2 4Å; K137-D175 PolarHBondContact NZ-OD2 3.01Å
138	K	98.7	Very high	98.7	Very high	89 Å²	89	18.6 Å²	18.6	39%	0.387	9%	0.09	S	C	.	.	S	Bend	trans	-59.1	-39.3	-178.8	179.9	161	-177.7	170.4	0	112.9	F61 H62 S63	F61-K138 HydrophobicContact CE1-CB 4.41Å; F61-K138 HydrophobicContact CE2-CB 4Å; F61-K138 HydrophobicContact CE2-CD 4.46Å; F61-K138 HydrophobicContact CE2-CG 4.44Å; F61-K138 HydrophobicContact CZ-CB 3.84Å; F61-K138 WeakPolarHBondContact O-CE 3.33Å; F61-K138 WeakPolarHBondContact O-CG 3.44Å; H62-K138 VanDerWaalsContact CA-O 3.3Å; H62-K138 WeakPolarHBondContact CA-O 3.5Å; H62-K138 PolarHBondContact ND1-O 2.95Å; S63-K138 PolarHBondContact N-O 3.27Å; S63-K138 VanDerWaalsContact N-O 3.14Å
139	F	98.5	Very high	98.7	Very high	119 Å²	119	18.5 Å²	18.5	52%	0.522	9%	0.09	S	C	.	.	S	Bend	trans	-116.5	-2.1	-171.8	-53.8	-78.9	0	0	0	113.9	S63 F88 K137	S63-F139 VanDerWaalsContact CB-CD1 3.45Å; S63-F139 WeakPolarHBondContact OG-CD1 3.48Å; F88-F139 WeakPolarHBondContact CD1-O 3.32Å; K137-F139 VanDerWaalsContact C-N 3.27Å; K137-F139 PolarHBondContact O-N 2.83Å
140	E	98.6	Very high	98.7	Very high	79 Å²	79	18.2 Å²	18.2	37%	0.369	9%	0.089	S	C	.	.	S	Bend	trans	-154.7	157.8	-173.8	63.7	-178.2	167.6	0	0	112.8	N89 K137	N89-E140 HydrophobicContact CB-CB 4.09Å; K137-E140 HydrophobicContact CB-CG 3.81Å; K137-E140 HydrophobicContact CG-CG 4.16Å; K137-E140 PolarHBondContact N-O 2.56Å
141	A	98.8	Very high	98.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.085	C	C	.	.			trans	-77.3	155.3	170.3	0	0	0	0	0	110.4	Y66 F88 N89 V90 C94 C145 Y146	Y66-A141 WeakPolarHBondContact OH-CA 3.44Å; Y66-A141 WeakPolarHBondContact OH-CB 3.42Å; Y66-A141 PolarHBondContact OH-N 3.46Å; F88-A141 PolarHBondContact O-N 3.08Å; N89-A141 WeakPolarHBondContact CB-O 3.49Å; N89-A141 PolarHBondContact ND2-O 3.38Å; V90-A141 HydrophobicContact CG2-CB 3.75Å; C94-A141 HydrophobicContact CB-CB 3.83Å; A141-C145 CarbonylContact C-O 3.37Å; A141-C145 VanDerWaalsContact CA-O 3.28Å; A141-C145 WeakPolarHBondContact CA-O 3.44Å; A141-C145 WeakPolarHBondContact CB-O 3.23Å; A141-Y146 HydrophobicContact CB-CD1 3.83Å; A141-Y146 HydrophobicContact CB-CE1 4.36Å
142	S	98.7	Very high	98.8	Very high	16 Å²	16	17.7 Å²	17.7	11%	0.112	9%	0.085	C	C	.	.	B	Isolated β-bridge	trans	-162.1	146	173.9	-171	0	0	0	0	110.4	H135 F144 C145 F200	H135-S142 VanDerWaalsContact CB-O 3.23Å; H135-S142 WeakPolarHBondContact CB-O 3.39Å; H135-S142 WeakPolarHBondContact O-CB 3.25Å; S142-F144 PolarHBondContact O-N 3.3Å; S142-C145 PolarHBondContact N-O 3.15Å; S142-C145 WeakPolarHBondContact O-CA 3.41Å; S142-C145 VanDerWaalsContact O-CB 3.24Å; S142-C145 WeakPolarHBondContact O-CB 3.34Å; S142-C145 PolarHBondContact O-N 3.31Å; S142-F200 WeakPolarHBondContact OG-CZ 3.44Å
143	G	97.8	Very high	98.8	Very high	9 Å²	9	17.7 Å²	17.7	9%	0.093	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	48.9	172.4	0	0	0	0	0	114.2	C145	G143-C145 PolarHBondContact O-N 3.44Å; G143-C145 VanDerWaalsContact O-N 3.14Å; G143-C145 PolarHBondContact O-SG 3.09Å
144	F	98.5	Very high	98.8	Very high	21 Å²	21	17.4 Å²	17.4	9%	0.092	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	70	0.7	-178.2	-39.4	-31.2	0	0	0	115.4	Y18 H22 P23 M24 D93 C94 S142 L266 Y298	Y18-F144 HydrophobicContact CE1-CB 4.1Å; Y18-F144 PolarHBondContact OH-O 3.14Å; H22-F144 AromaticContact CE1-CD1 3.5Å; H22-F144 AromaticContact CE1-CE1 3.79Å; H22-F144 AromaticContact CE1-CG 3.77Å; H22-F144 AromaticContact NE2-CD1 3.51Å; H22-F144 AromaticContact NE2-CE1 3.67Å; P23-F144 HydrophobicContact CG-CE1 4.33Å; P23-F144 HydrophobicContact CG-CE2 3.75Å; P23-F144 HydrophobicContact CG-CZ 3.51Å; M24-F144 HydrophobicContact CB-CB 4.4Å; M24-F144 HydrophobicContact CB-CD2 4.25Å; M24-F144 HydrophobicContact CB-CG 4.4Å; M24-F144 HydrophobicContact CE-CB 4.46Å; M24-F144 HydrophobicContact CE-CD2 4.44Å; D93-F144 HydrophobicContact CB-CD1 4.2Å; D93-F144 HydrophobicContact CB-CE1 3.99Å; D93-F144 WeakPolarHBondContact O-CD1 3.41Å; C94-F144 PolarHBondContact SG-N 3.12Å; C94-F144 VanDerWaalsContact SG-N 3.38Å; S142-F144 PolarHBondContact O-N 3.3Å; F144-L266 HydrophobicContact CE2-CD1 3.92Å; F144-L266 HydrophobicContact CZ-CD1 4.17Å; F144-Y298 AromaticContact CD2-CE1 3.78Å; F144-Y298 HydrophobicContact CD2-CE1 3.78Å; F144-Y298 AromaticContact CD2-CZ 3.99Å; F144-Y298 AromaticContact CE2-CE1 3.64Å; F144-Y298 HydrophobicContact CE2-CE1 3.64Å; F144-Y298 AromaticContact CE2-CZ 3.76Å
145	C	98.8	Very high	98.8	Very high	7 Å²	7	19.6 Å²	19.6	5%	0.047	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-105	129.1	-175.2	-55.7	0	0	0	0	111	L133 H135 A136 A141 S142 G143	L133-C145 VanDerWaalsContact C-SG 3.51Å; L133-C145 VanDerWaalsContact CA-SG 3.56Å; L133-C145 HydrophobicContact CB-CB 3.87Å; L133-C145 VanDerWaalsContact CB-SG 3.59Å; L133-C145 HydrophobicContact CD2-CB 4.38Å; L133-C145 HydrophobicContact CG-CB 4.28Å; H135-C145 HydrophobicContact CB-CB 4.04Å; A136-C145 HydrophobicContact CB-CB 3.75Å; A141-C145 CarbonylContact C-O 3.37Å; A141-C145 VanDerWaalsContact CA-O 3.28Å; A141-C145 WeakPolarHBondContact CA-O 3.44Å; A141-C145 WeakPolarHBondContact CB-O 3.23Å; S142-C145 PolarHBondContact N-O 3.15Å; S142-C145 WeakPolarHBondContact O-CA 3.41Å; S142-C145 VanDerWaalsContact O-CB 3.24Å; S142-C145 WeakPolarHBondContact O-CB 3.34Å; S142-C145 PolarHBondContact O-N 3.31Å; G143-C145 PolarHBondContact O-N 3.44Å; G143-C145 VanDerWaalsContact O-N 3.14Å; G143-C145 PolarHBondContact O-SG 3.09Å
146	Y	98.9	Very high	98.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	-106.2	-54.7	-179.7	-55.1	-88.1	0	0	0	111.6	Y18 Y66 L70 V90 C94 P95 F97 L100 A136 A141	Y18-Y146 AromaticContact CE1-CE2 3.76Å; Y18-Y146 HydrophobicContact CE1-CE2 3.76Å; Y18-Y146 AromaticContact CZ-CE2 3.87Å; Y66-Y146 VanDerWaalsContact CE1-O 3.29Å; Y66-Y146 WeakPolarHBondContact CE1-O 3.39Å; Y66-Y146 VanDerWaalsContact OH-C 3.31Å; Y66-Y146 WeakPolarHBondContact OH-CA 3.44Å; Y66-Y146 PolarHBondContact OH-O 3.39Å; L70-Y146 HydrophobicContact CD2-CD1 4.18Å; V90-Y146 HydrophobicContact CG2-CD1 4.26Å; V90-Y146 HydrophobicContact CG2-CE1 4.29Å; C94-Y146 WeakPolarHBondContact CA-OH 3.41Å; C94-Y146 HydrophobicContact CB-CD1 4.43Å; C94-Y146 HydrophobicContact CB-CE1 3.67Å; P95-Y146 VanDerWaalsContact CD-OH 3.31Å; P95-Y146 WeakPolarHBondContact CD-OH 3.39Å; P95-Y146 VanDerWaalsContact N-OH 3.11Å; P95-Y146 PolarHBondContact O-OH 3.4Å; F97-Y146 AromaticContact CE1-CE2 3.92Å; F97-Y146 HydrophobicContact CE1-CE2 3.92Å; L100-Y146 HydrophobicContact CD1-CD1 4.15Å; L100-Y146 HydrophobicContact CD1-CE1 3.7Å; L100-Y146 HydrophobicContact CD2-CD1 4.17Å; L100-Y146 HydrophobicContact CD2-CG 4.24Å; L100-Y146 HydrophobicContact CG-CD1 4.44Å; L100-Y146 HydrophobicContact CG-CE1 4.32Å; A136-Y146 WeakPolarHBondContact CB-O 3.45Å; A141-Y146 HydrophobicContact CB-CD1 3.83Å; A141-Y146 HydrophobicContact CB-CE1 4.36Å
147	V	98.9	Very high	98.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	-109.6	133.3	175	176	0	0	0	0	109.1	M58 H62 I67 L70 C104 Y107 T108 D149 I152	M58-V147 HydrophobicContact CB-CG1 4.45Å; M58-V147 HydrophobicContact CG-CG1 4Å; M58-V147 HydrophobicContact SD-CG1 4.37Å; M58-V147 HydrophobicContact SD-CG2 3.88Å; H62-V147 WeakPolarHBondContact NE2-CA 2.99Å; I67-V147 HydrophobicContact CD1-CG2 3.99Å; L70-V147 HydrophobicContact CD1-CG2 4.02Å; C104-V147 HydrophobicContact CB-CB 4.38Å; C104-V147 HydrophobicContact CB-CG2 3.9Å; Y107-V147 HydrophobicContact CE2-CB 4.36Å; Y107-V147 VanDerWaalsContact CE2-O 3.29Å; Y107-V147 WeakPolarHBondContact CE2-O 3.35Å; Y107-V147 WeakPolarHBondContact OH-CA 3.21Å; Y107-V147 WeakPolarHBondContact OH-CB 3.17Å; Y107-V147 PolarHBondContact OH-N 3.3Å; Y107-V147 PolarHBondContact OH-O 3.45Å; T108-V147 HydrophobicContact CG2-CG1 4.15Å; T108-V147 WeakPolarHBondContact OG1-CG1 3.37Å; V147-D149 PolarHBondContact O-N 2.99Å; V147-I152 HydrophobicContact CG1-CD1 3.65Å
148	N	98.9	Very high	98.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.095	C	C	.	.			trans	-87.7	87.3	178.6	-159.4	-45.9	0	0	0	109.7	F61 H62 H134 A136 I150 V151 I152	F61-N148 HydrophobicContact CD1-CB 4.21Å; F61-N148 HydrophobicContact CE1-CB 3.96Å; H62-N148 PolarHBondContact NE2-N 3.45Å; H134-N148 PolarHBondContact O-ND2 2.9Å; A136-N148 HydrophobicContact CB-CB 3.81Å; A136-N148 PolarHBondContact O-ND2 3.41Å; N148-I150 PolarHBondContact O-N 3.31Å; N148-I150 WeakPolarHBondContact OD1-CB 3.37Å; N148-I150 PolarHBondContact OD1-N 3.36Å; N148-V151 HydrophobicContact CB-CB 4.26Å; N148-V151 HydrophobicContact CB-CG2 4.2Å; N148-V151 PolarHBondContact O-N 2.88Å; N148-V151 WeakPolarHBondContact OD1-CG2 3.17Å; N148-V151 PolarHBondContact OD1-N 3.44Å; N148-V151 VanDerWaalsContact OD1-N 3.09Å; N148-I152 WeakPolarHBondContact O-CG1 3.41Å; N148-I152 PolarHBondContact O-N 2.86Å
149	D	98.9	Very high	98.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.6	-30	179.9	65.1	-66.6	0	0	0	112.6	Y107 T108 S111 G131 G132 L133 V147 I152 S153	Y107-D149 HydrophobicContact CD2-CB 3.79Å; Y107-D149 HydrophobicContact CE2-CB 3.86Å; T108-D149 HydrophobicContact CG2-CB 4.29Å; S111-D149 WeakPolarHBondContact CB-OD2 3.44Å; S111-D149 PolarHBondContact OG-OD2 3.42Å; G131-D149 WeakPolarHBondContact CA-OD2 3.29Å; G132-D149 PolarHBondContact N-OD1 3.02Å; G132-D149 PolarHBondContact N-OD2 3.36Å; L133-D149 PolarHBondContact N-OD1 3.15Å; V147-D149 PolarHBondContact O-N 2.99Å; D149-I152 PolarHBondContact O-N 3.35Å; D149-S153 WeakPolarHBondContact O-CB 3.37Å; D149-S153 PolarHBondContact O-N 3.38Å; D149-S153 PolarHBondContact O-OG 3.45Å
150	I	98.9	Very high	98.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64.4	-50.4	179.6	-45.7	-175.7	0	0	0	110.3	H134 N148 I152 S153 I154 Y166 V177 V253 Q255 L293	H134-I150 HydrophobicContact CB-CD1 3.59Å; N148-I150 PolarHBondContact O-N 3.31Å; N148-I150 WeakPolarHBondContact OD1-CB 3.37Å; N148-I150 PolarHBondContact OD1-N 3.36Å; I150-I152 VanDerWaalsContact C-N 3.33Å; I150-I152 PolarHBondContact O-N 3.48Å; I150-S153 PolarHBondContact O-N 3.06Å; I150-I154 HydrophobicContact CG2-CD1 3.89Å; I150-I154 HydrophobicContact CG2-CG1 4.5Å; I150-I154 WeakPolarHBondContact O-CG1 3.24Å; I150-I154 PolarHBondContact O-N 2.79Å; I150-Y166 HydrophobicContact CD1-CE2 4.03Å; I150-Y166 WeakPolarHBondContact CD1-OH 3.14Å; I150-Y166 HydrophobicContact CG2-CD2 3.82Å; I150-Y166 HydrophobicContact CG2-CE2 3.46Å; I150-Y166 VanDerWaalsContact CG2-CE2 3.46Å; I150-V177 HydrophobicContact CB-CG2 3.89Å; I150-V177 HydrophobicContact CD1-CG2 3.9Å; I150-V177 HydrophobicContact CG1-CG2 4.43Å; I150-V177 HydrophobicContact CG2-CG1 4.28Å; I150-V177 HydrophobicContact CG2-CG2 3.88Å; I150-V253 HydrophobicContact CG2-CG1 4.1Å; I150-Q255 HydrophobicContact CD1-CG 4.11Å; I150-L293 HydrophobicContact CB-CD1 4.32Å; I150-L293 HydrophobicContact CD1-CD1 4.42Å; I150-L293 HydrophobicContact CG1-CD1 3.76Å; I150-L293 HydrophobicContact CG2-CD1 4.28Å
151	V	98.9	Very high	98.6	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.006	6%	0.062	C	C	.	.	H	α-helix	trans	-60.9	-44.8	179.1	173.7	0	0	0	0	110.4	F61 N148 S153 I154 L155 V177 A180 F181	F61-V151 HydrophobicContact CB-CG1 3.96Å; F61-V151 HydrophobicContact CD1-CB 4.16Å; F61-V151 HydrophobicContact CD1-CG1 3.9Å; F61-V151 HydrophobicContact CD2-CG1 3.52Å; F61-V151 HydrophobicContact CE1-CB 4.39Å; F61-V151 HydrophobicContact CE1-CG1 4.28Å; F61-V151 HydrophobicContact CE1-CG2 4.45Å; F61-V151 HydrophobicContact CE2-CG1 3.92Å; F61-V151 HydrophobicContact CG-CB 4.26Å; F61-V151 HydrophobicContact CG-CG1 3.51Å; F61-V151 HydrophobicContact CZ-CG1 4.28Å; F61-V151 HydrophobicContact CZ-CG2 4.49Å; N148-V151 HydrophobicContact CB-CB 4.26Å; N148-V151 HydrophobicContact CB-CG2 4.2Å; N148-V151 PolarHBondContact O-N 2.88Å; N148-V151 WeakPolarHBondContact OD1-CG2 3.17Å; N148-V151 PolarHBondContact OD1-N 3.44Å; N148-V151 VanDerWaalsContact OD1-N 3.09Å; V151-S153 PolarHBondContact O-N 2.85Å; V151-I154 PolarHBondContact O-N 3.3Å; V151-L155 HydrophobicContact CG1-CD1 4.2Å; V151-L155 HydrophobicContact CG1-CG 4.44Å; V151-L155 VanDerWaalsContact O-CG 3.29Å; V151-L155 WeakPolarHBondContact O-CG 3.28Å; V151-L155 PolarHBondContact O-N 2.87Å; V151-V177 HydrophobicContact CG2-CG1 4.49Å; V151-V177 HydrophobicContact CG2-CG2 4.33Å; V151-A180 HydrophobicContact CB-CB 4.41Å; V151-A180 HydrophobicContact CG1-CB 3.87Å; V151-A180 HydrophobicContact CG2-CB 3.55Å; V151-F181 HydrophobicContact CB-CE2 4.34Å; V151-F181 HydrophobicContact CB-CZ 4.48Å; V151-F181 HydrophobicContact CG1-CE2 4.14Å; V151-F181 HydrophobicContact CG1-CZ 3.9Å; V151-F181 HydrophobicContact CG2-CE2 4.03Å
152	I	98.9	Very high	98.5	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.1	-43.9	178.1	-65.6	162.5	0	0	0	111	M58 F61 T108 L112 V147 N148 D149 I150 L155 E156	M58-I152 HydrophobicContact CB-CD1 4.48Å; F61-I152 HydrophobicContact CB-CG1 4.22Å; T108-I152 HydrophobicContact CG2-CD1 3.73Å; T108-I152 HydrophobicContact CG2-CG2 4.48Å; L112-I152 HydrophobicContact CD1-CG2 4.24Å; L112-I152 HydrophobicContact CD2-CG2 4.36Å; V147-I152 HydrophobicContact CG1-CD1 3.65Å; N148-I152 WeakPolarHBondContact O-CG1 3.41Å; N148-I152 PolarHBondContact O-N 2.86Å; D149-I152 PolarHBondContact O-N 3.35Å; I150-I152 VanDerWaalsContact C-N 3.33Å; I150-I152 PolarHBondContact O-N 3.48Å; I152-L155 PolarHBondContact O-N 3.01Å; I152-E156 PolarHBondContact O-N 3.17Å; I152-E156 VanDerWaalsContact O-N 3.12Å
153	S	98.9	Very high	98.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-64.6	-42.1	175.7	-74.4	0	0	0	0	112.9	S111 L112 D149 I150 V151 L155 E156 L157	S111-S153 WeakPolarHBondContact CB-OG 3.37Å; S111-S153 PolarHBondContact O-OG 3.27Å; L112-S153 PolarHBondContact N-OG 3.47Å; D149-S153 WeakPolarHBondContact O-CB 3.37Å; D149-S153 PolarHBondContact O-N 3.38Å; D149-S153 PolarHBondContact O-OG 3.45Å; I150-S153 PolarHBondContact O-N 3.06Å; V151-S153 PolarHBondContact O-N 2.85Å; S153-L155 VanDerWaalsContact C-N 3.34Å; S153-L155 PolarHBondContact O-N 3.14Å; S153-E156 WeakPolarHBondContact O-CB 3.32Å; S153-E156 PolarHBondContact O-N 2.86Å; S153-E156 VanDerWaalsContact O-N 3.12Å; S153-L157 WeakPolarHBondContact O-CG 3.45Å; S153-L157 PolarHBondContact O-N 2.8Å
154	I	98.9	Very high	98.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-63.9	-40.9	176.4	-69.2	170	0	0	0	110.5	I150 V151 E156 L157 L158 V164 Y166 V177 F181 V187 V253	I150-I154 HydrophobicContact CG2-CD1 3.89Å; I150-I154 HydrophobicContact CG2-CG1 4.5Å; I150-I154 WeakPolarHBondContact O-CG1 3.24Å; I150-I154 PolarHBondContact O-N 2.79Å; V151-I154 PolarHBondContact O-N 3.3Å; I154-E156 PolarHBondContact O-N 3.28Å; I154-L157 PolarHBondContact O-N 3.37Å; I154-L157 VanDerWaalsContact O-N 3.13Å; I154-L158 HydrophobicContact CG2-CD1 4.06Å; I154-L158 HydrophobicContact CG2-CG 4.19Å; I154-L158 WeakPolarHBondContact O-CB 3.45Å; I154-L158 VanDerWaalsContact O-CG 3.26Å; I154-L158 WeakPolarHBondContact O-CG 3.29Å; I154-L158 PolarHBondContact O-N 3.47Å; I154-V164 HydrophobicContact CG1-CG1 4.21Å; I154-V164 HydrophobicContact CG2-CB 4.35Å; I154-V164 HydrophobicContact CG2-CG1 4.18Å; I154-Y166 HydrophobicContact CD1-CD2 4.27Å; I154-Y166 HydrophobicContact CD1-CG 4.37Å; I154-V177 HydrophobicContact CD1-CG1 4.04Å; I154-F181 HydrophobicContact CB-CE2 3.95Å; I154-F181 HydrophobicContact CB-CZ 3.77Å; I154-F181 HydrophobicContact CD1-CE2 3.85Å; I154-F181 HydrophobicContact CG2-CE1 4.04Å; I154-F181 HydrophobicContact CG2-CE2 3.74Å; I154-F181 HydrophobicContact CG2-CZ 3.42Å; I154-F181 VanDerWaalsContact CG2-CZ 3.42Å; I154-V187 HydrophobicContact CD1-CG1 4.4Å; I154-V187 HydrophobicContact CG2-CB 4.5Å; I154-V187 HydrophobicContact CG2-CG1 4.12Å; I154-V187 HydrophobicContact CG2-CG2 3.53Å; I154-V253 HydrophobicContact CD1-CG2 4.49Å; I154-V253 HydrophobicContact CG1-CG2 3.86Å
155	L	98.8	Very high	98.5	Very high	51 Å²	51	14.2 Å²	14.2	27%	0.267	7%	0.067	S	C	.	.	H	α-helix	trans	-59.8	-33.2	173.6	-70.6	173.5	0	0	0	112.3	F61 V151 I152 S153 L158 F181	F61-L155 HydrophobicContact CB-CD1 4.12Å; V151-L155 HydrophobicContact CG1-CD1 4.2Å; V151-L155 HydrophobicContact CG1-CG 4.44Å; V151-L155 VanDerWaalsContact O-CG 3.29Å; V151-L155 WeakPolarHBondContact O-CG 3.28Å; V151-L155 PolarHBondContact O-N 2.87Å; I152-L155 PolarHBondContact O-N 3.01Å; S153-L155 VanDerWaalsContact C-N 3.34Å; S153-L155 PolarHBondContact O-N 3.14Å; L155-L158 HydrophobicContact CD2-CD1 4.49Å; L155-F181 HydrophobicContact CD2-CE1 4.15Å; L155-F181 HydrophobicContact CD2-CZ 4.48Å; L155-F181 HydrophobicContact CG-CZ 4.45Å
156	E	98.7	Very high	98.5	Very high	1 Å²	1	14 Å²	14	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-70.5	-45.6	172.1	-166.5	62.3	-162.2	0	0	111.9	R60 L112 A115 T116 N119 I152 S153 I154 L158 K159 V384	R60-E156 IonicContact CZ-OE2 3.84Å; R60-E156 IonicContact NH1-OE2 2.82Å; R60-E156 PolarHBondContact NH1-OE2 2.99Å; R60-E156 IonicContact NH2-OE2 2.94Å; R60-E156 PolarHBondContact NH2-OE2 3.24Å; L112-E156 HydrophobicContact CD1-CB 3.75Å; L112-E156 HydrophobicContact CD1-CG 3.84Å; A115-E156 HydrophobicContact CB-CB 4.01Å; A115-E156 HydrophobicContact CB-CG 4.25Å; T116-E156 HydrophobicContact CG2-CG 3.8Å; N119-E156 PolarHBondContact ND2-O 3.22Å; I152-E156 PolarHBondContact O-N 3.17Å; I152-E156 VanDerWaalsContact O-N 3.12Å; S153-E156 WeakPolarHBondContact O-CB 3.32Å; S153-E156 PolarHBondContact O-N 2.86Å; S153-E156 VanDerWaalsContact O-N 3.12Å; I154-E156 PolarHBondContact O-N 3.28Å; E156-L158 VanDerWaalsContact C-N 3.27Å; E156-L158 PolarHBondContact O-N 3.06Å; E156-K159 VanDerWaalsContact CD-NZ 3.3Å; E156-K159 WeakPolarHBondContact O-CB 3.46Å; E156-K159 PolarHBondContact O-N 2.97Å; E156-K159 VanDerWaalsContact O-N 3.14Å; E156-K159 IonicContact OE1-NZ 3.39Å; E156-K159 PolarHBondContact OE1-NZ 2.9Å; E156-K159 WeakPolarHBondContact OE2-CE 3.41Å; E156-K159 IonicContact OE2-NZ 2.92Å; E156-K159 PolarHBondContact OE2-NZ 3.02Å; E156-V384 WeakPolarHBondContact OE2-CG2 3.47Å
157	L	98.8	Very high	98.5	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.1	-38.2	177.6	-67.8	170.8	0	0	0	111.9	A115 L118 N119 S153 I154 K159 Y160 H161 V164 V253	A115-L157 HydrophobicContact CB-CD2 4.01Å; A115-L157 HydrophobicContact CB-CG 3.94Å; L118-L157 HydrophobicContact CB-CD2 4.12Å; L118-L157 HydrophobicContact CD1-CD2 4.33Å; N119-L157 WeakPolarHBondContact OD1-CA 3.4Å; S153-L157 WeakPolarHBondContact O-CG 3.45Å; S153-L157 PolarHBondContact O-N 2.8Å; I154-L157 PolarHBondContact O-N 3.37Å; I154-L157 VanDerWaalsContact O-N 3.13Å; L157-K159 PolarHBondContact O-N 3.34Å; L157-K159 VanDerWaalsContact O-N 3.07Å; L157-Y160 PolarHBondContact O-N 3.44Å; L157-H161 WeakPolarHBondContact O-CB 3.25Å; L157-H161 PolarHBondContact O-CD2 3.32Å; L157-H161 PolarHBondContact O-N 2.68Å; L157-V164 HydrophobicContact CB-CG2 3.91Å; L157-V164 HydrophobicContact CD1-CG1 4.18Å; L157-V253 HydrophobicContact CD1-CG2 3.48Å; L157-V253 VanDerWaalsContact CD1-CG2 3.48Å
158	L	98.3	Very high	98.5	Very high	19 Å²	19	14 Å²	14	10%	0.099	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-11.5	178.6	-73.8	173.3	0	0	0	114.1	I154 L155 E156 Y160 V164 F181 R186 V187	I154-L158 HydrophobicContact CG2-CD1 4.06Å; I154-L158 HydrophobicContact CG2-CG 4.19Å; I154-L158 WeakPolarHBondContact O-CB 3.45Å; I154-L158 VanDerWaalsContact O-CG 3.26Å; I154-L158 WeakPolarHBondContact O-CG 3.29Å; I154-L158 PolarHBondContact O-N 3.47Å; L155-L158 HydrophobicContact CD2-CD1 4.49Å; E156-L158 VanDerWaalsContact C-N 3.27Å; E156-L158 PolarHBondContact O-N 3.06Å; L158-Y160 VanDerWaalsContact C-N 3.28Å; L158-Y160 PolarHBondContact O-N 3.08Å; L158-V164 HydrophobicContact CD2-CG2 3.89Å; L158-V164 HydrophobicContact CG-CG2 4.25Å; L158-F181 HydrophobicContact CD1-CE1 4.21Å; L158-R186 HydrophobicContact CD2-CB 3.89Å; L158-R186 PolarHBondContact O-NH2 2.98Å; L158-V187 HydrophobicContact CD1-CG2 3.71Å; L158-V187 HydrophobicContact CD2-CG2 3.97Å; L158-V187 HydrophobicContact CG-CG2 4.19Å
159	K	97.4	Very high	98.5	Very high	20 Å²	20	14 Å²	14	9%	0.087	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-32.3	169.6	-68.1	-177.6	-176.5	172.9	0	112.4	E156 L157 V380 S382	E156-K159 VanDerWaalsContact CD-NZ 3.3Å; E156-K159 WeakPolarHBondContact O-CB 3.46Å; E156-K159 PolarHBondContact O-N 2.97Å; E156-K159 VanDerWaalsContact O-N 3.14Å; E156-K159 IonicContact OE1-NZ 3.39Å; E156-K159 PolarHBondContact OE1-NZ 2.9Å; E156-K159 WeakPolarHBondContact OE2-CE 3.41Å; E156-K159 IonicContact OE2-NZ 2.92Å; E156-K159 PolarHBondContact OE2-NZ 3.02Å; L157-K159 PolarHBondContact O-N 3.34Å; L157-K159 VanDerWaalsContact O-N 3.07Å; K159-V380 HydrophobicContact CB-CG1 3.74Å; K159-V380 HydrophobicContact CG-CG1 4.22Å; K159-S382 PolarHBondContact NZ-O 3.24Å
160	Y	97.7	Very high	98.5	Very high	101 Å²	101	14 Å²	14	40%	0.396	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-26.5	-174	-66.1	-99.1	0	0	0	113	N119 L157 L158 D383	N119-Y160 HydrophobicContact CB-CD2 3.52Å; N119-Y160 HydrophobicContact CB-CE2 3.88Å; N119-Y160 HydrophobicContact CB-CG 3.92Å; N119-Y160 VanDerWaalsContact ND2-CD2 3.28Å; N119-Y160 WeakPolarHBondContact ND2-CD2 3.42Å; L157-Y160 PolarHBondContact O-N 3.44Å; L158-Y160 VanDerWaalsContact C-N 3.28Å; L158-Y160 PolarHBondContact O-N 3.08Å; Y160-D383 WeakPolarHBondContact CE2-OD1 3.42Å; Y160-D383 PolarHBondContact OH-OD1 2.63Å; Y160-D383 PolarHBondContact OH-OD2 2.9Å
161	H	97.6	Very high	98.5	Very high	21 Å²	21	14 Å²	14	10%	0.097	7%	0.065	C	C	.	.			trans	-101.5	120.4	-174.6	-68.1	-77.1	0	0	0	110.9	N119 L157 R163 V164 R186 T250 C251	N119-H161 PolarHBondContact OD1-CD2 3.19Å; N119-H161 VanDerWaalsContact OD1-CD2 3.27Å; L157-H161 WeakPolarHBondContact O-CB 3.25Å; L157-H161 PolarHBondContact O-CD2 3.32Å; L157-H161 PolarHBondContact O-N 2.68Å; H161-R163 PolarHBondContact O-N 2.79Å; H161-V164 HydrophobicContact CB-CG2 3.89Å; H161-R186 PolarHBondContact O-NH2 2.62Å; H161-T250 WeakPolarHBondContact CB-OG1 3.36Å; H161-T250 PolarHBondContact CE1-O 3.28Å; H161-T250 VanDerWaalsContact CE1-O 3.27Å; H161-T250 PolarHBondContact ND1-O 3.05Å; H161-T250 VanDerWaalsContact ND1-O 3.14Å; H161-T250 PolarHBondContact ND1-OG1 2.85Å; H161-T250 VanDerWaalsContact ND1-OG1 3.14Å; H161-C251 HydrophobicContact CB-CB 4.28Å
162	P	96.6	Very high	98.5	Very high	40 Å²	40	14.7 Å²	14.7	26%	0.26	7%	0.068	S	C	.	.	S	Bend	trans	-63	-34.8	176.8	22.9	-34.2	0	0	0	112.3	R186 T250 V375	P162-R186 PolarHBondContact O-NE 2.93Å; P162-T250 WeakPolarHBondContact CD-OG1 3.34Å; P162-T250 HydrophobicContact CG-CG2 3.9Å; P162-V375 HydrophobicContact CB-CB 4.32Å; P162-V375 HydrophobicContact CB-CG2 3.5Å
163	R	98	Very high	98.5	Very high	38 Å²	38	14.7 Å²	14.7	14%	0.143	7%	0.068	C	C	.	.			trans	-138.3	123.4	-175.5	-67.3	179	-56.6	-75.9	-8.5	110.3	H161 R186 Y247 Q248 T250	H161-R163 PolarHBondContact O-N 2.79Å; R163-R186 WeakPolarHBondContact CA-O 3.23Å; R163-Y247 HydrophobicContact CB-CE1 3.85Å; R163-Y247 HydrophobicContact CB-CE2 4.38Å; R163-Y247 WeakPolarHBondContact CD-O 3.24Å; R163-Y247 HydrophobicContact CG-CE2 4.2Å; R163-Y247 PolarHBondContact NE-O 3.16Å; R163-Q248 VanDerWaalsContact CZ-O 3.28Å; R163-Q248 PolarHBondContact NE-O 3.24Å; R163-Q248 PolarHBondContact NH2-O 3.44Å; R163-T250 PolarHBondContact O-N 2.95Å; R163-T250 PolarHBondContact O-OG1 3.2Å; R163-T250 VanDerWaalsContact O-OG1 3.09Å
164	V	98.9	Very high	98.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.6	176.9	-179.3	0	0	0	0	108.5	I154 L157 L158 H161 R186 V187 M188 C251 V253	I154-V164 HydrophobicContact CG1-CG1 4.21Å; I154-V164 HydrophobicContact CG2-CB 4.35Å; I154-V164 HydrophobicContact CG2-CG1 4.18Å; L157-V164 HydrophobicContact CB-CG2 3.91Å; L157-V164 HydrophobicContact CD1-CG1 4.18Å; L158-V164 HydrophobicContact CD2-CG2 3.89Å; L158-V164 HydrophobicContact CG-CG2 4.25Å; H161-V164 HydrophobicContact CB-CG2 3.89Å; V164-R186 PolarHBondContact N-O 3.03Å; V164-V187 VanDerWaalsContact O-CA 3.3Å; V164-V187 WeakPolarHBondContact O-CA 3.36Å; V164-M188 PolarHBondContact O-N 3.03Å; V164-C251 WeakPolarHBondContact CA-O 3.25Å; V164-C251 HydrophobicContact CG2-CB 4.48Å; V164-V253 HydrophobicContact CG1-CG2 4.06Å
165	L	98.9	Very high	98.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	123	174.3	170	62.5	0	0	0	109.1	I167 M188 V190 V243 V244 Y247 P249 C251 I252 V253	L165-I167 HydrophobicContact CD1-CG1 4.22Å; L165-I167 HydrophobicContact CD2-CD1 3.9Å; L165-I167 HydrophobicContact CD2-CG1 4.03Å; L165-I167 HydrophobicContact CG-CD1 4.23Å; L165-I167 HydrophobicContact CG-CG1 3.82Å; L165-M188 HydrophobicContact CD1-CB 4.18Å; L165-M188 HydrophobicContact CD1-CG 4.23Å; L165-V190 HydrophobicContact CD1-CG2 3.74Å; L165-V243 HydrophobicContact CD1-CG1 3.57Å; L165-V243 HydrophobicContact CD2-CG1 3.86Å; L165-V243 HydrophobicContact CG-CG1 4.39Å; L165-V244 HydrophobicContact CD2-CG2 4.03Å; L165-Y247 HydrophobicContact CB-CD1 4.25Å; L165-Y247 HydrophobicContact CB-CE1 4.33Å; L165-P249 HydrophobicContact CB-CB 3.53Å; L165-P249 HydrophobicContact CB-CG 3.76Å; L165-P249 HydrophobicContact CD2-CG 3.94Å; L165-C251 PolarHBondContact N-O 3.06Å; L165-I252 HydrophobicContact CB-CG1 4.26Å; L165-I252 HydrophobicContact CD2-CD1 4.4Å; L165-I252 HydrophobicContact CD2-CG1 4.35Å; L165-I252 CarbonylContact O-C 3.54Å; L165-I252 VanDerWaalsContact O-CA 3.29Å; L165-I252 WeakPolarHBondContact O-CA 3.25Å; L165-V253 PolarHBondContact O-N 3.13Å
166	Y	98.9	Very high	98.5	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.008	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	125.7	169.9	176.1	-112.9	0	0	0	109.8	I150 I154 D168 V177 M188 T189 V190 V253 Q255	I150-Y166 HydrophobicContact CD1-CE2 4.03Å; I150-Y166 WeakPolarHBondContact CD1-OH 3.14Å; I150-Y166 HydrophobicContact CG2-CD2 3.82Å; I150-Y166 HydrophobicContact CG2-CE2 3.46Å; I150-Y166 VanDerWaalsContact CG2-CE2 3.46Å; I154-Y166 HydrophobicContact CD1-CD2 4.27Å; I154-Y166 HydrophobicContact CD1-CG 4.37Å; Y166-D168 HydrophobicContact CE1-CB 3.69Å; Y166-D168 VanDerWaalsContact OH-CG 3.3Å; Y166-D168 PolarHBondContact OH-OD2 2.66Å; Y166-V177 HydrophobicContact CD1-CB 4.08Å; Y166-V177 HydrophobicContact CD1-CG1 3.58Å; Y166-V177 HydrophobicContact CD2-CG1 4.32Å; Y166-V177 HydrophobicContact CE1-CB 3.74Å; Y166-V177 HydrophobicContact CE1-CG1 3.74Å; Y166-V177 HydrophobicContact CE1-CG2 4.01Å; Y166-V177 HydrophobicContact CE2-CG1 4.45Å; Y166-V177 HydrophobicContact CE2-CG2 4.48Å; Y166-V177 HydrophobicContact CG-CG1 3.88Å; Y166-M188 PolarHBondContact N-O 2.94Å; Y166-T189 HydrophobicContact CD1-CG2 4.08Å; Y166-V190 PolarHBondContact O-N 3.26Å; Y166-V253 CarbonylContact C-O 3.56Å; Y166-V253 WeakPolarHBondContact CA-O 3.43Å; Y166-V253 HydrophobicContact CD2-CB 4.1Å; Y166-V253 HydrophobicContact CD2-CG1 4.04Å; Y166-V253 HydrophobicContact CE2-CG1 4.37Å; Y166-Q255 HydrophobicContact CE2-CB 3.89Å; Y166-Q255 WeakPolarHBondContact OH-CB 3.47Å
167	I	99	Very high	98.5	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	130.9	176.5	-51.6	173.7	0	0	0	108	L165 I169 V190 F236 I240 I252 V253 L254 Q255 V283	L165-I167 HydrophobicContact CD1-CG1 4.22Å; L165-I167 HydrophobicContact CD2-CD1 3.9Å; L165-I167 HydrophobicContact CD2-CG1 4.03Å; L165-I167 HydrophobicContact CG-CD1 4.23Å; L165-I167 HydrophobicContact CG-CG1 3.82Å; I167-I169 HydrophobicContact CG2-CG2 4.43Å; I167-V190 CarbonylContact C-O 3.59Å; I167-V190 WeakPolarHBondContact CA-O 3.19Å; I167-F236 HydrophobicContact CG2-CE2 3.92Å; I167-F236 HydrophobicContact CG2-CZ 4.16Å; I167-I240 HydrophobicContact CD1-CD1 3.99Å; I167-I240 HydrophobicContact CD1-CG2 4.06Å; I167-I240 HydrophobicContact CG1-CD1 4.16Å; I167-I240 HydrophobicContact CG2-CD1 4Å; I167-I252 HydrophobicContact CD1-CG2 3.97Å; I167-I252 HydrophobicContact CG1-CG2 4.34Å; I167-V253 PolarHBondContact N-O 2.89Å; I167-L254 HydrophobicContact CB-CD1 3.7Å; I167-L254 HydrophobicContact CG2-CD1 3.7Å; I167-L254 WeakPolarHBondContact O-CA 3.32Å; I167-Q255 PolarHBondContact O-N 3.24Å; I167-V283 HydrophobicContact CD1-CG1 4.25Å; I167-V283 HydrophobicContact CD1-CG2 3.66Å
168	D	98.9	Very high	98.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	117.7	-176.2	-161.4	-36.1	0	0	0	110.2	H134 Y166 D170 G174 V190 F192 Q255	H134-D168 IonicContact CE1-OD1 3.18Å; H134-D168 IonicContact CE1-OD2 2.63Å; H134-D168 IonicContact CG-OD2 3.17Å; H134-D168 IonicContact ND1-OD1 3.25Å; H134-D168 IonicContact ND1-OD2 2.8Å; H134-D168 PolarHBondContact ND1-OD2 2.9Å; Y166-D168 HydrophobicContact CE1-CB 3.69Å; Y166-D168 VanDerWaalsContact OH-CG 3.3Å; Y166-D168 PolarHBondContact OH-OD2 2.66Å; D168-D170 WeakPolarHBondContact OD1-CB 3.18Å; D168-D170 PolarHBondContact OD1-N 2.97Å; D168-D170 VanDerWaalsContact OD1-N 3.09Å; D168-G174 VanDerWaalsContact OD2-CA 3.3Å; D168-G174 WeakPolarHBondContact OD2-CA 3.44Å; D168-V190 PolarHBondContact N-O 3.43Å; D168-F192 PolarHBondContact O-N 3Å; D168-F192 VanDerWaalsContact O-N 3.09Å; D168-Q255 PolarHBondContact OD1-OE1 2.86Å; D168-Q255 VanDerWaalsContact OD1-OE1 3.09Å
169	I	98.9	Very high	98.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.085	C	C	.	.			trans	-114.1	11.7	178.5	63.4	173.4	0	0	0	112.9	I167 Y232 F236 Q255 S260 H276 C279	I167-I169 HydrophobicContact CG2-CG2 4.43Å; I169-Y232 WeakPolarHBondContact CG2-OH 3.48Å; I169-F236 HydrophobicContact CG2-CD2 4.3Å; I169-F236 HydrophobicContact CG2-CE2 3.62Å; I169-F236 HydrophobicContact CG2-CZ 4.33Å; I169-Q255 VanDerWaalsContact CG1-O 3.23Å; I169-Q255 WeakPolarHBondContact CG1-O 3.45Å; I169-Q255 PolarHBondContact N-O 2.94Å; I169-S260 WeakPolarHBondContact O-CB 3.38Å; I169-S260 PolarHBondContact O-OG 2.69Å; I169-S260 VanDerWaalsContact O-OG 3.13Å; I169-H276 WeakPolarHBondContact CD1-CE1 3.42Å; I169-H276 WeakPolarHBondContact CD1-NE2 3.3Å; I169-C279 HydrophobicContact CD1-CB 4.06Å
170	D	98.9	Very high	98.6	Very high	1 Å²	1	19 Å²	19	1%	0.005	9%	0.094	C	C	.	.	S	Bend	trans	-57.9	151.4	163.9	-157.1	-80.8	0	0	0	110.4	H134 D168 H172 Q255 G257 D259 G296	H134-D170 VanDerWaalsContact CE1-CB 3.46Å; H134-D170 WeakPolarHBondContact CE1-CB 3.36Å; H134-D170 VanDerWaalsContact CE1-CG 3.49Å; H134-D170 IonicContact CE1-OD1 3.51Å; H134-D170 IonicContact CE1-OD2 3.08Å; H134-D170 IonicContact NE2-OD1 3.9Å; H134-D170 IonicContact NE2-OD2 3.6Å; D168-D170 WeakPolarHBondContact OD1-CB 3.18Å; D168-D170 PolarHBondContact OD1-N 2.97Å; D168-D170 VanDerWaalsContact OD1-N 3.09Å; D170-H172 PolarHBondContact O-N 2.93Å; D170-H172 WeakPolarHBondContact OD1-CB 3.19Å; D170-H172 IonicContact OD1-CG 2.62Å; D170-H172 PolarHBondContact OD1-N 3.2Å; D170-H172 IonicContact OD1-ND1 2.92Å; D170-H172 PolarHBondContact OD1-ND1 2.95Å; D170-Q255 PolarHBondContact OD2-NE2 3.36Å; D170-G257 WeakPolarHBondContact OD2-CA 3.41Å; D170-D259 VanDerWaalsContact CG-OD1 3.24Å; D170-D259 VanDerWaalsContact OD1-OD1 3.09Å; D170-G296 WeakPolarHBondContact OD2-CA 3.37Å; D170-G296 PolarHBondContact OD2-N 2.8Å
171	I	98.8	Very high	98.7	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.079	C	C	.	.	S	Bend	trans	-69	-24.7	176	-159.6	175.1	0	0	0	112.3	H193 K194 F199 D259 F269	I171-H193 CarbonylContact O-C 3.53Å; I171-H193 WeakPolarHBondContact O-CA 3.46Å; I171-H193 VanDerWaalsContact O-CB 3.23Å; I171-H193 WeakPolarHBondContact O-CB 3.45Å; I171-K194 HydrophobicContact CD1-CB 4.31Å; I171-K194 HydrophobicContact CG1-CB 3.87Å; I171-K194 PolarHBondContact O-N 3.06Å; I171-F199 HydrophobicContact CD1-CZ 4.32Å; I171-F199 HydrophobicContact CG1-CZ 4.31Å; I171-F199 HydrophobicContact CG2-CE1 4.35Å; I171-F199 HydrophobicContact CG2-CZ 3.98Å; I171-D259 HydrophobicContact CG2-CB 4Å; I171-D259 VanDerWaalsContact CG2-CG 3.47Å; I171-D259 WeakPolarHBondContact CG2-OD1 3.44Å; I171-D259 PolarHBondContact N-OD1 3.02Å; I171-F269 HydrophobicContact CD1-CB 3.98Å; I171-F269 HydrophobicContact CD1-CD1 3.71Å; I171-F269 HydrophobicContact CD1-CD2 4.15Å; I171-F269 HydrophobicContact CD1-CE1 4.22Å; I171-F269 HydrophobicContact CD1-CG 3.67Å; I171-F269 HydrophobicContact CG1-CD1 3.98Å; I171-F269 HydrophobicContact CG1-CD2 3.86Å; I171-F269 HydrophobicContact CG1-CE1 4.04Å; I171-F269 HydrophobicContact CG1-CE2 3.9Å; I171-F269 HydrophobicContact CG1-CG 3.88Å; I171-F269 HydrophobicContact CG1-CZ 3.98Å
172	H	98.9	Very high	98.7	Very high	14 Å²	14	17 Å²	17	7%	0.065	9%	0.086	C	C	.	.	S	Bend	trans	-88.3	147.7	177.4	-51.7	87.5	0	0	0	110.7	H134 H135 D170 G174 F199 F200 D259	H134-H172 PolarHBondContact CE1-O 2.9Å; H135-H172 WeakPolarHBondContact NE2-CB 3.35Å; H135-H172 AromaticContact NE2-CG 3.87Å; D170-H172 PolarHBondContact O-N 2.93Å; D170-H172 WeakPolarHBondContact OD1-CB 3.19Å; D170-H172 IonicContact OD1-CG 2.62Å; D170-H172 PolarHBondContact OD1-N 3.2Å; D170-H172 IonicContact OD1-ND1 2.92Å; D170-H172 PolarHBondContact OD1-ND1 2.95Å; H172-G174 PolarHBondContact O-N 3.37Å; H172-F199 AromaticContact CD2-CE1 3.45Å; H172-F199 VanDerWaalsContact CD2-CE1 3.45Å; H172-F199 WeakPolarHBondContact CD2-CE1 3.41Å; H172-F199 AromaticContact CD2-CZ 3.71Å; H172-F199 AromaticContact NE2-CE1 3.87Å; H172-F199 AromaticContact NE2-CZ 3.59Å; H172-F200 PolarHBondContact CD2-O 3.03Å; H172-D259 IonicContact CE1-OD2 3.09Å; H172-D259 PolarHBondContact CE1-OD2 2.83Å; H172-D259 IonicContact ND1-OD2 3.43Å; H172-D259 PolarHBondContact ND1-OD2 3.22Å; H172-D259 VanDerWaalsContact ND1-OD2 3.09Å
173	H	98.9	Very high	98.8	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	10%	0.096	C	C	.	.			trans	-64.5	129.9	174.8	169.6	-129.2	0	0	0	110.7	H135 D175 Q178 H193 P201 T203 G204 N220	H135-H173 PolarHBondContact CE1-O 3.29Å; H173-D175 PolarHBondContact O-N 2.88Å; H173-Q178 PolarHBondContact CE1-NE2 2.67Å; H173-Q178 VanDerWaalsContact NE2-CD 3.31Å; H173-Q178 PolarHBondContact NE2-OE1 2.76Å; H173-H193 HydrophobicContact CB-CB 4.28Å; H173-H193 AromaticContact CD2-CE1 3.56Å; H173-H193 AromaticContact CD2-ND1 3.73Å; H173-H193 AromaticContact CG-CE1 3.84Å; H173-P201 HydrophobicContact CB-CG 3.96Å; H173-T203 PolarHBondContact CE1-OG1 3.23Å; H173-T203 PolarHBondContact ND1-OG1 2.86Å; H173-G204 PolarHBondContact ND1-N 3.31Å; H173-N220 PolarHBondContact CD2-OD1 2.76Å; H173-N220 PolarHBondContact NE2-OD1 3.27Å
174	G	98.8	Very high	98.8	Very high	2 Å²	2	19.4 Å²	19.4	2%	0.021	10%	0.1	C	C	.	.			trans	-70.6	53.6	177.1	0	0	0	0	0	114.6	H134 D168 H172 G176 V177 Q178 S191	H134-G174 WeakPolarHBondContact ND1-CA 3.24Å; D168-G174 VanDerWaalsContact OD2-CA 3.3Å; D168-G174 WeakPolarHBondContact OD2-CA 3.44Å; H172-G174 PolarHBondContact O-N 3.37Å; G174-G176 PolarHBondContact O-N 3.09Å; G174-V177 PolarHBondContact O-N 3.22Å; G174-Q178 PolarHBondContact O-N 3.21Å; G174-S191 PolarHBondContact N-OG 3Å
175	D	98.9	Very high	98.7	Very high	15 Å²	15	21.4 Å²	21.4	8%	0.08	11%	0.111	C	C	.	.	H	α-helix	trans	-62.3	-37.4	-168.4	66.6	-19.1	0	0	0	114.3	H135 K137 H173 Q178 E179 P201	H135-D175 WeakPolarHBondContact CA-OD1 3.39Å; H135-D175 IonicContact CE1-OD1 3.91Å; H135-D175 IonicContact CG-OD1 3.92Å; H135-D175 IonicContact ND1-OD1 2.92Å; H135-D175 PolarHBondContact ND1-OD1 3.15Å; K137-D175 WeakPolarHBondContact CE-OD2 3.41Å; K137-D175 IonicContact NZ-OD1 2.68Å; K137-D175 PolarHBondContact NZ-OD1 3.46Å; K137-D175 IonicContact NZ-OD2 4Å; K137-D175 PolarHBondContact NZ-OD2 3.01Å; H173-D175 PolarHBondContact O-N 2.88Å; D175-Q178 PolarHBondContact O-N 3.38Å; D175-E179 VanDerWaalsContact O-CB 3.26Å; D175-E179 WeakPolarHBondContact O-CB 3.45Å; D175-E179 PolarHBondContact O-N 3.01Å; D175-P201 HydrophobicContact CB-CB 4.48Å; D175-P201 HydrophobicContact CB-CG 3.87Å; D175-P201 WeakPolarHBondContact OD2-CB 3.47Å
176	G	98.9	Very high	98.6	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-67.5	-38.3	178.8	0	0	0	0	0	112.9	H134 G174 A180	H134-G176 WeakPolarHBondContact O-CA 3.23Å; H134-G176 PolarHBondContact O-N 3.17Å; H134-G176 VanDerWaalsContact O-N 3.14Å; G174-G176 PolarHBondContact O-N 3.09Å; G176-A180 WeakPolarHBondContact O-CB 3.33Å; G176-A180 PolarHBondContact O-N 3.17Å; G176-A180 VanDerWaalsContact O-N 3.15Å
177	V	98.9	Very high	98.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-73.1	-41.9	175.8	-171.8	0	0	0	0	110.5	H134 I150 V151 I154 Y166 G174 A180 F181 T189	H134-V177 HydrophobicContact CB-CG2 4.02Å; I150-V177 HydrophobicContact CB-CG2 3.89Å; I150-V177 HydrophobicContact CD1-CG2 3.9Å; I150-V177 HydrophobicContact CG1-CG2 4.43Å; I150-V177 HydrophobicContact CG2-CG1 4.28Å; I150-V177 HydrophobicContact CG2-CG2 3.88Å; V151-V177 HydrophobicContact CG2-CG1 4.49Å; V151-V177 HydrophobicContact CG2-CG2 4.33Å; I154-V177 HydrophobicContact CD1-CG1 4.04Å; Y166-V177 HydrophobicContact CD1-CB 4.08Å; Y166-V177 HydrophobicContact CD1-CG1 3.58Å; Y166-V177 HydrophobicContact CD2-CG1 4.32Å; Y166-V177 HydrophobicContact CE1-CB 3.74Å; Y166-V177 HydrophobicContact CE1-CG1 3.74Å; Y166-V177 HydrophobicContact CE1-CG2 4.01Å; Y166-V177 HydrophobicContact CE2-CG1 4.45Å; Y166-V177 HydrophobicContact CE2-CG2 4.48Å; Y166-V177 HydrophobicContact CG-CG1 3.88Å; G174-V177 PolarHBondContact O-N 3.22Å; V177-A180 PolarHBondContact O-N 3.33Å; V177-F181 HydrophobicContact CG1-CD2 4.02Å; V177-F181 HydrophobicContact CG1-CE2 4.17Å; V177-F181 WeakPolarHBondContact O-CD2 3.23Å; V177-F181 PolarHBondContact O-N 3Å; V177-T189 HydrophobicContact CG1-CG2 4.21Å
178	Q	98.9	Very high	98.6	Very high	12 Å²	12	23.5 Å²	23.5	6%	0.056	12%	0.119	C	C	.	.	H	α-helix	trans	-56.4	-50.7	173.6	174.8	174.6	-74.3	0	0	111.4	H173 G174 D175 A180 F181 Y182 E208 C218 N220	H173-Q178 PolarHBondContact CE1-NE2 2.67Å; H173-Q178 VanDerWaalsContact NE2-CD 3.31Å; H173-Q178 PolarHBondContact NE2-OE1 2.76Å; G174-Q178 PolarHBondContact O-N 3.21Å; D175-Q178 PolarHBondContact O-N 3.38Å; Q178-A180 PolarHBondContact O-N 2.96Å; Q178-F181 CarbonylContact O-C 3.58Å; Q178-F181 PolarHBondContact O-N 3.22Å; Q178-Y182 HydrophobicContact CG-CD2 3.69Å; Q178-Y182 HydrophobicContact CG-CE2 3.96Å; Q178-Y182 WeakPolarHBondContact O-CA 3.22Å; Q178-Y182 WeakPolarHBondContact O-CB 3.3Å; Q178-Y182 PolarHBondContact O-N 2.74Å; Q178-E208 PolarHBondContact NE2-OE2 2.58Å; Q178-C218 PolarHBondContact OE1-SG 3.25Å; Q178-N220 PolarHBondContact OE1-ND2 2.88Å; Q178-N220 PolarHBondContact OE1-OD1 3.47Å
179	E	98.9	Very high	98.6	Very high	116 Å²	116	23.9 Å²	23.9	54%	0.542	12%	0.121	S	C	.	.	H	α-helix	trans	-61.7	-43.1	-178.4	-173.7	-176.6	116.6	0	0	111.7	D175 F181 Y182	D175-E179 VanDerWaalsContact O-CB 3.26Å; D175-E179 WeakPolarHBondContact O-CB 3.45Å; D175-E179 PolarHBondContact O-N 3.01Å; E179-F181 PolarHBondContact O-N 3.42Å; E179-Y182 PolarHBondContact O-N 2.6Å
180	A	98.8	Very high	98.6	Very high	35 Å²	35	23.9 Å²	23.9	29%	0.289	12%	0.121	S	C	.	.	H	α-helix	trans	-60.5	-29.5	-179.1	0	0	0	0	0	113.5	F61 V151 G176 V177 Q178	F61-A180 HydrophobicContact CE2-CB 3.7Å; F61-A180 HydrophobicContact CZ-CB 3.96Å; V151-A180 HydrophobicContact CB-CB 4.41Å; V151-A180 HydrophobicContact CG1-CB 3.87Å; V151-A180 HydrophobicContact CG2-CB 3.55Å; G176-A180 WeakPolarHBondContact O-CB 3.33Å; G176-A180 PolarHBondContact O-N 3.17Å; G176-A180 VanDerWaalsContact O-N 3.15Å; V177-A180 PolarHBondContact O-N 3.33Å; Q178-A180 PolarHBondContact O-N 2.96Å
181	F	98.8	Very high	98.6	Very high	16 Å²	16	24.1 Å²	24.1	7%	0.07	12%	0.123	C	C	.	.	H	α-helix	trans	-117.8	12.9	-175.8	-60.4	-63.6	0	0	0	114.2	V151 I154 L155 L158 V177 Q178 E179 L183 T184 V187	V151-F181 HydrophobicContact CB-CE2 4.34Å; V151-F181 HydrophobicContact CB-CZ 4.48Å; V151-F181 HydrophobicContact CG1-CE2 4.14Å; V151-F181 HydrophobicContact CG1-CZ 3.9Å; V151-F181 HydrophobicContact CG2-CE2 4.03Å; I154-F181 HydrophobicContact CB-CE2 3.95Å; I154-F181 HydrophobicContact CB-CZ 3.77Å; I154-F181 HydrophobicContact CD1-CE2 3.85Å; I154-F181 HydrophobicContact CG2-CE1 4.04Å; I154-F181 HydrophobicContact CG2-CE2 3.74Å; I154-F181 HydrophobicContact CG2-CZ 3.42Å; I154-F181 VanDerWaalsContact CG2-CZ 3.42Å; L155-F181 HydrophobicContact CD2-CE1 4.15Å; L155-F181 HydrophobicContact CD2-CZ 4.48Å; L155-F181 HydrophobicContact CG-CZ 4.45Å; L158-F181 HydrophobicContact CD1-CE1 4.21Å; V177-F181 HydrophobicContact CG1-CD2 4.02Å; V177-F181 HydrophobicContact CG1-CE2 4.17Å; V177-F181 WeakPolarHBondContact O-CD2 3.23Å; V177-F181 PolarHBondContact O-N 3Å; Q178-F181 CarbonylContact O-C 3.58Å; Q178-F181 PolarHBondContact O-N 3.22Å; E179-F181 PolarHBondContact O-N 3.42Å; F181-L183 PolarHBondContact O-N 2.93Å; F181-T184 HydrophobicContact CB-CG2 3.83Å; F181-T184 HydrophobicContact CD1-CG2 3.92Å; F181-T184 HydrophobicContact CG-CG2 4.35Å; F181-T184 VanDerWaalsContact O-CG2 3.32Å; F181-T184 WeakPolarHBondContact O-CG2 3.47Å; F181-T184 PolarHBondContact O-N 3.32Å; F181-T184 VanDerWaalsContact O-N 3.15Å; F181-V187 HydrophobicContact CB-CB 3.93Å; F181-V187 HydrophobicContact CB-CG1 4.15Å; F181-V187 HydrophobicContact CD1-CB 4.04Å; F181-V187 HydrophobicContact CD1-CG1 4.49Å; F181-V187 HydrophobicContact CD1-CG2 3.69Å; F181-V187 HydrophobicContact CD2-CB 4.24Å; F181-V187 HydrophobicContact CD2-CG1 3.81Å; F181-V187 HydrophobicContact CD2-CG2 4.38Å; F181-V187 HydrophobicContact CE1-CG2 3.92Å; F181-V187 HydrophobicContact CE2-CG1 4.35Å; F181-V187 HydrophobicContact CG-CB 3.8Å; F181-V187 HydrophobicContact CG-CG1 3.89Å; F181-V187 HydrophobicContact CG-CG2 3.95Å; F181-V187 HydrophobicContact CZ-CG2 4.36Å
182	Y	98.7	Very high	98.6	Very high	65 Å²	65	24.1 Å²	24.1	26%	0.255	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-22.4	-171.7	-153.9	-107.8	0	0	0	115.1	Q178 E179 G210 A211 C218	Q178-Y182 HydrophobicContact CG-CD2 3.69Å; Q178-Y182 HydrophobicContact CG-CE2 3.96Å; Q178-Y182 WeakPolarHBondContact O-CA 3.22Å; Q178-Y182 WeakPolarHBondContact O-CB 3.3Å; Q178-Y182 PolarHBondContact O-N 2.74Å; E179-Y182 PolarHBondContact O-N 2.6Å; Y182-G210 VanDerWaalsContact CZ-CA 3.43Å; Y182-G210 PolarHBondContact OH-N 3.43Å; Y182-A211 HydrophobicContact CD1-CB 3.99Å; Y182-A211 HydrophobicContact CE1-CB 3.91Å; Y182-A211 PolarHBondContact O-N 2.92Å; Y182-C218 HydrophobicContact CD2-CB 4.49Å; Y182-C218 HydrophobicContact CE2-CB 4.41Å
183	L	98.4	Very high	98.6	Very high	88 Å²	88	23.5 Å²	23.5	46%	0.461	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	6.2	-175.1	-55	-176.4	0	0	0	114.2	F181 A211 E212 G214	F181-L183 PolarHBondContact O-N 2.93Å; L183-A211 WeakPolarHBondContact CA-O 3.23Å; L183-A211 HydrophobicContact CD2-CB 3.64Å; L183-E212 HydrophobicContact CD2-CB 4.25Å; L183-E212 HydrophobicContact CD2-CG 4.08Å; L183-G214 PolarHBondContact O-N 3.23Å
184	T	97.5	Very high	98.6	Very high	39 Å²	39	24 Å²	24	24%	0.239	12%	0.123	C	C	.	.			trans	-121.2	146	-177.6	-175.6	0	0	0	0	112.5	F181 R186 V187 G214	F181-T184 HydrophobicContact CB-CG2 3.83Å; F181-T184 HydrophobicContact CD1-CG2 3.92Å; F181-T184 HydrophobicContact CG-CG2 4.35Å; F181-T184 VanDerWaalsContact O-CG2 3.32Å; F181-T184 WeakPolarHBondContact O-CG2 3.47Å; F181-T184 PolarHBondContact O-N 3.32Å; F181-T184 VanDerWaalsContact O-N 3.15Å; T184-R186 PolarHBondContact OG1-N 3.35Å; T184-V187 HydrophobicContact CG2-CB 4.44Å; T184-G214 VanDerWaalsContact O-CA 3.27Å; T184-G214 WeakPolarHBondContact O-CA 3.36Å
185	D	96.6	Very high	98.6	Very high	42 Å²	42	27.2 Å²	27.2	23%	0.225	13%	0.134	C	C	.	.	S	Bend	trans	-90.3	-10.7	172.2	60	-7.2	0	0	0	112.9	V187 Y217 Y247 P373	D185-V187 VanDerWaalsContact C-N 3.26Å; D185-V187 PolarHBondContact O-N 2.87Å; D185-Y217 HydrophobicContact CB-CD1 4.06Å; D185-Y217 HydrophobicContact CB-CD2 3.7Å; D185-Y217 HydrophobicContact CB-CE1 3.86Å; D185-Y217 HydrophobicContact CB-CE2 3.5Å; D185-Y217 HydrophobicContact CB-CG 3.99Å; D185-Y247 VanDerWaalsContact O-CE2 3.27Å; D185-Y247 WeakPolarHBondContact O-CE2 3.46Å; D185-Y247 PolarHBondContact O-OH 3.26Å; D185-P373 HydrophobicContact CB-CB 4.47Å; D185-P373 HydrophobicContact CB-CG 4.16Å; D185-P373 VanDerWaalsContact OD2-CB 3.25Å; D185-P373 WeakPolarHBondContact OD2-CB 3.47Å
186	R	98.1	Very high	98.5	Very high	44 Å²	44	27.9 Å²	27.9	17%	0.166	15%	0.145	C	C	.	.	S	Bend	trans	-74.7	-15.2	-179.5	-66.8	-165.5	62.7	-163.4	-4.7	114.2	L158 H161 P162 R163 V164 T184 Y247 H378	L158-R186 HydrophobicContact CD2-CB 3.89Å; L158-R186 PolarHBondContact O-NH2 2.98Å; H161-R186 PolarHBondContact O-NH2 2.62Å; P162-R186 PolarHBondContact O-NE 2.93Å; R163-R186 WeakPolarHBondContact CA-O 3.23Å; V164-R186 PolarHBondContact N-O 3.03Å; T184-R186 PolarHBondContact OG1-N 3.35Å; R186-Y247 PolarHBondContact O-OH 2.87Å; R186-H378 PolarHBondContact NH1-CE1 2.9Å; R186-H378 PolarHBondContact NH1-NE2 3.24Å
187	V	98.7	Very high	98.3	Very high	1 Å²	1	35 Å²	35	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	125.8	173.2	-176.7	0	0	0	0	108.1	I154 L158 V164 F181 T184 D185 T189 Y247	I154-V187 HydrophobicContact CD1-CG1 4.4Å; I154-V187 HydrophobicContact CG2-CB 4.5Å; I154-V187 HydrophobicContact CG2-CG1 4.12Å; I154-V187 HydrophobicContact CG2-CG2 3.53Å; L158-V187 HydrophobicContact CD1-CG2 3.71Å; L158-V187 HydrophobicContact CD2-CG2 3.97Å; L158-V187 HydrophobicContact CG-CG2 4.19Å; V164-V187 VanDerWaalsContact O-CA 3.3Å; V164-V187 WeakPolarHBondContact O-CA 3.36Å; F181-V187 HydrophobicContact CB-CB 3.93Å; F181-V187 HydrophobicContact CB-CG1 4.15Å; F181-V187 HydrophobicContact CD1-CB 4.04Å; F181-V187 HydrophobicContact CD1-CG1 4.49Å; F181-V187 HydrophobicContact CD1-CG2 3.69Å; F181-V187 HydrophobicContact CD2-CB 4.24Å; F181-V187 HydrophobicContact CD2-CG1 3.81Å; F181-V187 HydrophobicContact CD2-CG2 4.38Å; F181-V187 HydrophobicContact CE1-CG2 3.92Å; F181-V187 HydrophobicContact CE2-CG1 4.35Å; F181-V187 HydrophobicContact CG-CB 3.8Å; F181-V187 HydrophobicContact CG-CG1 3.89Å; F181-V187 HydrophobicContact CG-CG2 3.95Å; F181-V187 HydrophobicContact CZ-CG2 4.36Å; T184-V187 HydrophobicContact CG2-CB 4.44Å; D185-V187 VanDerWaalsContact C-N 3.26Å; D185-V187 PolarHBondContact O-N 2.87Å; V187-T189 HydrophobicContact CG1-CG2 4.3Å; V187-Y247 WeakPolarHBondContact CA-OH 3.43Å; V187-Y247 PolarHBondContact N-OH 2.9Å
188	M	98.7	Very high	98.1	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	125.4	170.8	-177.7	165.1	-173.1	0	0	109.7	V164 L165 Y166 V190 Y217 L219 V243 Y247 L366 L369	V164-M188 PolarHBondContact O-N 3.03Å; L165-M188 HydrophobicContact CD1-CB 4.18Å; L165-M188 HydrophobicContact CD1-CG 4.23Å; Y166-M188 PolarHBondContact N-O 2.94Å; M188-V190 HydrophobicContact CE-CG2 4.29Å; M188-V190 HydrophobicContact CG-CG2 4.27Å; M188-Y217 CarbonylContact C-O 3.53Å; M188-Y217 WeakPolarHBondContact CA-O 3.32Å; M188-Y217 WeakPolarHBondContact CG-O 3.44Å; M188-L219 HydrophobicContact CE-CB 4.01Å; M188-L219 HydrophobicContact CE-CD1 3.8Å; M188-V243 HydrophobicContact CE-CG1 4.09Å; M188-V243 HydrophobicContact CE-CG2 4.25Å; M188-V243 HydrophobicContact SD-CG1 3.71Å; M188-Y247 HydrophobicContact CB-CD1 3.7Å; M188-Y247 HydrophobicContact CB-CD2 4.03Å; M188-Y247 HydrophobicContact CB-CE1 3.48Å; M188-Y247 VanDerWaalsContact CB-CE1 3.48Å; M188-Y247 HydrophobicContact CB-CE2 3.85Å; M188-Y247 HydrophobicContact CB-CG 3.98Å; M188-Y247 PolarHBondContact N-OH 3.26Å; M188-Y247 HydrophobicContact SD-CD1 4.27Å; M188-Y247 HydrophobicContact SD-CD2 4.01Å; M188-Y247 HydrophobicContact SD-CG 3.79Å; M188-L366 HydrophobicContact CE-CD2 3.66Å; M188-L369 HydrophobicContact CE-CD1 4.31Å; M188-L369 HydrophobicContact SD-CD1 4.32Å
189	T	98.9	Very high	98.1	Very high	8 Å²	8	47.5 Å²	47.5	5%	0.049	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	125.4	178	62.3	0	0	0	0	110.5	Y166 V177 V187 Y217 L219	Y166-T189 HydrophobicContact CD1-CG2 4.08Å; V177-T189 HydrophobicContact CG1-CG2 4.21Å; V187-T189 HydrophobicContact CG1-CG2 4.3Å; T189-Y217 PolarHBondContact N-O 3.4Å; T189-L219 PolarHBondContact O-N 3.32Å
190	V	98.9	Very high	98.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	116.1	178.3	-173.7	0	0	0	0	109.3	L165 Y166 I167 D168 M188 F192 L219 I240 V243	L165-V190 HydrophobicContact CD1-CG2 3.74Å; Y166-V190 PolarHBondContact O-N 3.26Å; I167-V190 CarbonylContact C-O 3.59Å; I167-V190 WeakPolarHBondContact CA-O 3.19Å; D168-V190 PolarHBondContact N-O 3.43Å; M188-V190 HydrophobicContact CE-CG2 4.29Å; M188-V190 HydrophobicContact CG-CG2 4.27Å; V190-F192 HydrophobicContact CG1-CD2 4.34Å; V190-F192 HydrophobicContact CG1-CE2 3.63Å; V190-F192 HydrophobicContact CG1-CZ 4.25Å; V190-L219 VanDerWaalsContact CA-O 3.32Å; V190-L219 WeakPolarHBondContact CA-O 3.26Å; V190-L219 HydrophobicContact CG1-CD2 4.16Å; V190-L219 HydrophobicContact CG2-CB 4.28Å; V190-I240 HydrophobicContact CB-CD1 4.42Å; V190-I240 HydrophobicContact CG1-CD1 3.86Å; V190-V243 HydrophobicContact CG2-CG1 4.07Å; V190-V243 HydrophobicContact CG2-CG2 4.11Å
191	S	98.9	Very high	98	Very high	6 Å²	6	45.4 Å²	45.4	4%	0.042	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	133.6	-178.5	-179.4	0	0	0	0	112.2	G174 H193 L219 V221	G174-S191 PolarHBondContact N-OG 3Å; S191-H193 PolarHBondContact OG-ND1 3.21Å; S191-L219 PolarHBondContact N-O 3.25Å; S191-V221 PolarHBondContact O-N 3.33Å
192	F	98.9	Very high	98	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	107.4	175.4	-64.5	-103.4	0	0	0	109.6	D168 V190 V221 Y232 L235 F236 V239 I240	D168-F192 PolarHBondContact O-N 3Å; D168-F192 VanDerWaalsContact O-N 3.09Å; V190-F192 HydrophobicContact CG1-CD2 4.34Å; V190-F192 HydrophobicContact CG1-CE2 3.63Å; V190-F192 HydrophobicContact CG1-CZ 4.25Å; F192-V221 HydrophobicContact CB-CB 4.46Å; F192-V221 HydrophobicContact CD1-CB 3.55Å; F192-V221 HydrophobicContact CD1-CG1 3.55Å; F192-V221 HydrophobicContact CD1-CG2 3.79Å; F192-V221 HydrophobicContact CE1-CB 3.94Å; F192-V221 HydrophobicContact CE1-CG1 3.86Å; F192-V221 HydrophobicContact CE1-CG2 3.65Å; F192-V221 HydrophobicContact CG-CB 4.02Å; F192-V221 HydrophobicContact CG-CG1 4.44Å; F192-V221 HydrophobicContact CG-CG2 4.27Å; F192-V221 HydrophobicContact CZ-CG2 4.03Å; F192-Y232 HydrophobicContact CB-CE2 4.2Å; F192-Y232 WeakPolarHBondContact CB-OH 3.4Å; F192-L235 HydrophobicContact CE1-CG 4.35Å; F192-F236 HydrophobicContact CD1-CD2 4.43Å; F192-F236 AromaticContact CD2-CD2 3.92Å; F192-F236 HydrophobicContact CD2-CD2 3.92Å; F192-F236 HydrophobicContact CD2-CE2 4.17Å; F192-F236 HydrophobicContact CE1-CB 4.32Å; F192-F236 HydrophobicContact CE1-CD2 4.1Å; F192-F236 AromaticContact CE2-CD2 3.54Å; F192-F236 HydrophobicContact CE2-CD2 3.54Å; F192-F236 AromaticContact CE2-CE2 3.82Å; F192-F236 HydrophobicContact CE2-CE2 3.82Å; F192-F236 HydrophobicContact CG-CD2 4.36Å; F192-F236 HydrophobicContact CZ-CB 4.43Å; F192-F236 AromaticContact CZ-CD2 3.65Å; F192-F236 HydrophobicContact CZ-CD2 3.65Å; F192-F236 HydrophobicContact CZ-CE2 4.32Å; F192-F236 HydrophobicContact CZ-CG 4.36Å; F192-V239 HydrophobicContact CE1-CB 4.48Å; F192-V239 HydrophobicContact CE1-CG1 4.48Å; F192-V239 HydrophobicContact CZ-CB 4.08Å; F192-V239 HydrophobicContact CZ-CG1 3.84Å; F192-I240 HydrophobicContact CE2-CD1 3.9Å; F192-I240 HydrophobicContact CE2-CG1 4.28Å; F192-I240 HydrophobicContact CZ-CD1 4.21Å; F192-I240 HydrophobicContact CZ-CG1 4.29Å
193	H	98.9	Very high	98	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	162.6	-166.2	53.3	-98.5	0	0	0	112.4	I171 H173 S191 G204 N220 V221 L223	I171-H193 CarbonylContact O-C 3.53Å; I171-H193 WeakPolarHBondContact O-CA 3.46Å; I171-H193 VanDerWaalsContact O-CB 3.23Å; I171-H193 WeakPolarHBondContact O-CB 3.45Å; H173-H193 HydrophobicContact CB-CB 4.28Å; H173-H193 AromaticContact CD2-CE1 3.56Å; H173-H193 AromaticContact CD2-ND1 3.73Å; H173-H193 AromaticContact CG-CE1 3.84Å; S191-H193 PolarHBondContact OG-ND1 3.21Å; H193-G204 PolarHBondContact CE1-O 3.36Å; H193-G204 PolarHBondContact NE2-O 2.9Å; H193-N220 PolarHBondContact CE1-OD1 3.36Å; H193-V221 PolarHBondContact N-O 3.46Å; H193-L223 WeakPolarHBondContact O-CB 3.29Å; H193-L223 PolarHBondContact O-N 3.43Å
194	K	98.6	Very high	98	Very high	13 Å²	13	41.9 Å²	41.9	6%	0.057	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	130.4	170.3	168.7	63	-177.3	63.6	0	109.4	I171 G196 F199 L223 D225 F269	I171-K194 HydrophobicContact CD1-CB 4.31Å; I171-K194 HydrophobicContact CG1-CB 3.87Å; I171-K194 PolarHBondContact O-N 3.06Å; K194-G196 PolarHBondContact NZ-O 3.33Å; K194-F199 HydrophobicContact CB-CD1 3.73Å; K194-F199 HydrophobicContact CB-CE1 3.7Å; K194-F199 HydrophobicContact CB-CG 4.2Å; K194-F199 HydrophobicContact CB-CZ 4.15Å; K194-F199 HydrophobicContact CG-CB 4.06Å; K194-F199 HydrophobicContact CG-CD1 3.57Å; K194-F199 HydrophobicContact CG-CD2 3.79Å; K194-F199 HydrophobicContact CG-CE1 3.91Å; K194-F199 HydrophobicContact CG-CE2 4.12Å; K194-F199 HydrophobicContact CG-CG 3.51Å; K194-F199 HydrophobicContact CG-CZ 4.18Å; K194-F199 WeakPolarHBondContact O-CD1 3.33Å; K194-L223 WeakPolarHBondContact CA-O 3.42Å; K194-D225 WeakPolarHBondContact CD-OD1 3.4Å; K194-D225 WeakPolarHBondContact CE-OD1 3.15Å; K194-F269 HydrophobicContact CB-CE1 3.85Å; K194-F269 HydrophobicContact CB-CZ 4.2Å
195	Y	98.5	Very high	98	Very high	68 Å²	68	42 Å²	42	27%	0.267	22%	0.216	S	C	.	.			trans	-127.8	152.6	179.1	-175.2	-107.1	0	0	0	112.8	T203 D205 P222 L223	Y195-T203 WeakPolarHBondContact CD2-O 3.44Å; Y195-D205 HydrophobicContact CE1-CB 4.08Å; Y195-D205 HydrophobicContact CE2-CB 4.23Å; Y195-D205 WeakPolarHBondContact OH-CB 3.28Å; Y195-D205 PolarHBondContact OH-OD2 3Å; Y195-P222 VanDerWaalsContact CB-CB 3.41Å; Y195-P222 HydrophobicContact CD1-CB 3.92Å; Y195-P222 HydrophobicContact CG-CB 3.8Å; Y195-L223 PolarHBondContact N-O 3.02Å
196	G	96	Very high	97.9	Very high	29 Å²	29	40.9 Å²	40.9	30%	0.299	21%	0.21	S	C	.	.	S	Bend	trans	87.2	168.8	179	0	0	0	0	0	115.3	K194 Y198 F199	K194-G196 PolarHBondContact NZ-O 3.33Å; G196-Y198 VanDerWaalsContact C-N 3.3Å; G196-Y198 PolarHBondContact O-N 2.9Å; G196-F199 WeakPolarHBondContact O-CB 3.36Å; G196-F199 PolarHBondContact O-N 3.12Å
197	N	94.9	Very high	97.8	Very high	150 Å²	150	46.6 Å²	46.6	80%	0.802	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	36.9	-176	-59.8	-31.6	0	0	0	114.3	F199	N197-F199 PolarHBondContact O-N 3.02Å; N197-F199 VanDerWaalsContact O-N 3.13Å
198	Y	95.3	Very high	97.8	Very high	234 Å²	234	48.6 Å²	48.6	92%	0.918	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	23.5	-177	-51.4	-72	0	0	0	114.2	G196 F200	G196-Y198 VanDerWaalsContact C-N 3.3Å; G196-Y198 PolarHBondContact O-N 2.9Å; Y198-F200 PolarHBondContact O-N 3.29Å
199	F	98.4	Very high	97.8	Very high	41 Å²	41	49.6 Å²	49.6	18%	0.18	25%	0.248	C	C	.	.			trans	-59.4	128.7	170	-169.6	-95.8	0	0	0	108.9	I171 H172 K194 G196 N197 G202	I171-F199 HydrophobicContact CD1-CZ 4.32Å; I171-F199 HydrophobicContact CG1-CZ 4.31Å; I171-F199 HydrophobicContact CG2-CE1 4.35Å; I171-F199 HydrophobicContact CG2-CZ 3.98Å; H172-F199 AromaticContact CD2-CE1 3.45Å; H172-F199 VanDerWaalsContact CD2-CE1 3.45Å; H172-F199 WeakPolarHBondContact CD2-CE1 3.41Å; H172-F199 AromaticContact CD2-CZ 3.71Å; H172-F199 AromaticContact NE2-CE1 3.87Å; H172-F199 AromaticContact NE2-CZ 3.59Å; K194-F199 HydrophobicContact CB-CD1 3.73Å; K194-F199 HydrophobicContact CB-CE1 3.7Å; K194-F199 HydrophobicContact CB-CG 4.2Å; K194-F199 HydrophobicContact CB-CZ 4.15Å; K194-F199 HydrophobicContact CG-CB 4.06Å; K194-F199 HydrophobicContact CG-CD1 3.57Å; K194-F199 HydrophobicContact CG-CD2 3.79Å; K194-F199 HydrophobicContact CG-CE1 3.91Å; K194-F199 HydrophobicContact CG-CE2 4.12Å; K194-F199 HydrophobicContact CG-CG 3.51Å; K194-F199 HydrophobicContact CG-CZ 4.18Å; K194-F199 WeakPolarHBondContact O-CD1 3.33Å; G196-F199 WeakPolarHBondContact O-CB 3.36Å; G196-F199 PolarHBondContact O-N 3.12Å; N197-F199 PolarHBondContact O-N 3.02Å; N197-F199 VanDerWaalsContact O-N 3.13Å; F199-G202 WeakPolarHBondContact O-CA 3.45Å; F199-G202 PolarHBondContact O-N 2.92Å
200	F	98.6	Very high	97.7	Very high	75 Å²	75	49.6 Å²	49.6	33%	0.329	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	141	-176.3	-176.6	-89.8	0	0	0	110.5	H135 S142 H172 Y198	H135-F200 AromaticContact CD2-CE1 3.62Å; H135-F200 AromaticContact CE1-CE1 3.61Å; H135-F200 AromaticContact CG-CE1 3.8Å; H135-F200 AromaticContact ND1-CE1 3.79Å; H135-F200 AromaticContact NE2-CD1 3.84Å; H135-F200 AromaticContact NE2-CE1 3.45Å; H135-F200 WeakPolarHBondContact NE2-CE1 3.41Å; S142-F200 WeakPolarHBondContact OG-CZ 3.44Å; H172-F200 PolarHBondContact CD2-O 3.03Å; Y198-F200 PolarHBondContact O-N 3.29Å
201	P	98.4	Very high	97.6	Very high	32 Å²	32	51.3 Å²	51.3	21%	0.208	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	cis	-86.9	2.3	1	34.4	-35.8	0	0	0	114.8	H173 D175 T203	H173-P201 HydrophobicContact CB-CG 3.96Å; D175-P201 HydrophobicContact CB-CB 4.48Å; D175-P201 HydrophobicContact CB-CG 3.87Å; D175-P201 WeakPolarHBondContact OD2-CB 3.47Å; P201-T203 WeakPolarHBondContact CG-OG1 3.4Å
202	G	97.8	Very high	97.5	Very high	45 Å²	45	58.3 Å²	58.3	46%	0.464	30%	0.296	S	S	.	.			trans	82.4	11.5	-178	0	0	0	0	0	115	F199	F199-G202 WeakPolarHBondContact O-CA 3.45Å; F199-G202 PolarHBondContact O-N 2.92Å
203	T	98.6	Very high	97.4	Very high	51 Å²	51	62 Å²	62	31%	0.313	32%	0.322	S	S	.	.			trans	-120.2	179	174.5	56.3	0	0	0	0	110.2	H173 Y195 P201	H173-T203 PolarHBondContact CE1-OG1 3.23Å; H173-T203 PolarHBondContact ND1-OG1 2.86Å; Y195-T203 WeakPolarHBondContact CD2-O 3.44Å; P201-T203 WeakPolarHBondContact CG-OG1 3.4Å
204	G	98.3	Very high	97.3	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.322	C	S	.	.			trans	95.6	28.6	179.4	0	0	0	0	0	113.6	H173 H193 E208 N220	H173-G204 PolarHBondContact ND1-N 3.31Å; H193-G204 PolarHBondContact CE1-O 3.36Å; H193-G204 PolarHBondContact NE2-O 2.9Å; G204-E208 VanDerWaalsContact N-CD 3.33Å; G204-E208 PolarHBondContact N-OE1 3.03Å; G204-E208 PolarHBondContact N-OE2 2.75Å; G204-N220 WeakPolarHBondContact O-CB 3.43Å
205	D	97.4	Very high	97.2	Very high	40 Å²	40	68.1 Å²	68.1	21%	0.214	35%	0.345	C	S	.	.			trans	-64.1	154.4	171.7	-151.1	-31.5	0	0	0	110.8	Y195 Y207 E208 N220	Y195-D205 HydrophobicContact CE1-CB 4.08Å; Y195-D205 HydrophobicContact CE2-CB 4.23Å; Y195-D205 WeakPolarHBondContact OH-CB 3.28Å; Y195-D205 PolarHBondContact OH-OD2 3Å; D205-Y207 PolarHBondContact O-N 3.27Å; D205-E208 PolarHBondContact N-OE1 3.09Å; D205-E208 WeakPolarHBondContact O-CB 3.05Å; D205-E208 PolarHBondContact O-N 2.77Å; D205-N220 WeakPolarHBondContact O-CB 3.47Å
206	M	95.1	Very high	97.2	Very high	19 Å²	19	67.2 Å²	67.2	9%	0.094	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-14.6	178.9	72.1	-174.1	78.8	0	0	113.9	P222 I358 T361	M206-P222 HydrophobicContact CB-CG 3.98Å; M206-P222 HydrophobicContact CE-CG 4.1Å; M206-I358 HydrophobicContact CE-CD1 3.23Å; M206-I358 HydrophobicContact SD-CD1 4.03Å; M206-T361 HydrophobicContact CG-CG2 4.46Å; M206-T361 HydrophobicContact SD-CG2 4.13Å
207	Y	96.2	Very high	97.3	Very high	164 Å²	164	66.7 Å²	66.7	64%	0.643	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-11.9	178.6	-52.6	-64.7	0	0	0	113.5	D205 V209	D205-Y207 PolarHBondContact O-N 3.27Å; Y207-V209 PolarHBondContact O-N 3.09Å
208	E	98.1	Very high	97.4	Very high	44 Å²	44	59.8 Å²	59.8	21%	0.206	29%	0.294	C	S	.	.			trans	-75.1	94.9	169.9	-65.6	175.4	-137.6	0	0	108.1	Q178 G204 D205 C218 N220	Q178-E208 PolarHBondContact NE2-OE2 2.58Å; G204-E208 VanDerWaalsContact N-CD 3.33Å; G204-E208 PolarHBondContact N-OE1 3.03Å; G204-E208 PolarHBondContact N-OE2 2.75Å; D205-E208 PolarHBondContact N-OE1 3.09Å; D205-E208 WeakPolarHBondContact O-CB 3.05Å; D205-E208 PolarHBondContact O-N 2.77Å; E208-C218 PolarHBondContact O-SG 3.09Å; E208-N220 PolarHBondContact O-ND2 3.14Å
209	V	98.1	Very high	97.6	Very high	21 Å²	21	48.9 Å²	48.9	13%	0.127	25%	0.252	C	S	.	.			trans	-113.3	12.1	-173.6	-62	0	0	0	0	113.4	Y207 R215 Y216 C218	Y207-V209 PolarHBondContact O-N 3.09Å; V209-R215 HydrophobicContact CG2-CG 4.42Å; V209-R215 CarbonylContact O-C 3.6Å; V209-Y216 HydrophobicContact CB-CD1 4.39Å; V209-Y216 HydrophobicContact CG2-CD1 4.47Å; V209-Y216 HydrophobicContact CG2-CE1 4.48Å; V209-Y216 WeakPolarHBondContact O-CA 3.34Å; V209-Y216 PolarHBondContact O-N 3.36Å; V209-C218 WeakPolarHBondContact CA-O 3.5Å
210	G	98.1	Very high	97.6	Very high	9 Å²	9	47.2 Å²	47.2	9%	0.093	24%	0.244	C	C	.	.			trans	85.1	172	-171.5	0	0	0	0	0	112.9	Y182	Y182-G210 VanDerWaalsContact CZ-CA 3.43Å; Y182-G210 PolarHBondContact OH-N 3.43Å
211	A	97.4	Very high	97.6	Very high	35 Å²	35	43.6 Å²	43.6	29%	0.289	23%	0.229	S	C	.	.			trans	-137.9	165.2	-179.5	0	0	0	0	0	111.7	Y182 L183 S213 G214 R215	Y182-A211 HydrophobicContact CD1-CB 3.99Å; Y182-A211 HydrophobicContact CE1-CB 3.91Å; Y182-A211 PolarHBondContact O-N 2.92Å; L183-A211 WeakPolarHBondContact CA-O 3.23Å; L183-A211 HydrophobicContact CD2-CB 3.64Å; A211-S213 PolarHBondContact O-N 2.78Å; A211-G214 CarbonylContact O-C 3.52Å; A211-G214 WeakPolarHBondContact O-CA 3.46Å; A211-G214 PolarHBondContact O-N 3.32Å; A211-R215 PolarHBondContact O-N 2.7Å
212	E	96.7	Very high	97.6	Very high	154 Å²	154	42.1 Å²	42.1	72%	0.72	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	51.5	-128.9	-177.2	-57.7	-177	-179.7	0	0	111.9	L183 G214 R215	L183-E212 HydrophobicContact CD2-CB 4.25Å; L183-E212 HydrophobicContact CD2-CG 4.08Å; E212-G214 PolarHBondContact O-N 2.9Å; E212-R215 WeakPolarHBondContact O-CB 3.46Å; E212-R215 PolarHBondContact O-N 2.82Å
213	S	95.9	Very high	97.7	Very high	77 Å²	77	40 Å²	40	54%	0.538	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-65	-26.3	175.3	-63.3	0	0	0	0	112.7	A211 R215 Y217	A211-S213 PolarHBondContact O-N 2.78Å; S213-R215 VanDerWaalsContact C-N 3.26Å; S213-R215 PolarHBondContact O-N 3.19Å; S213-Y217 WeakPolarHBondContact O-CD2 3.31Å
214	G	96.8	Very high	97.7	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.01	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-79.1	-0.7	177.4	0	0	0	0	0	114.8	L183 T184 A211 E212 Y216 Y217	L183-G214 PolarHBondContact O-N 3.23Å; T184-G214 VanDerWaalsContact O-CA 3.27Å; T184-G214 WeakPolarHBondContact O-CA 3.36Å; A211-G214 CarbonylContact O-C 3.52Å; A211-G214 WeakPolarHBondContact O-CA 3.46Å; A211-G214 PolarHBondContact O-N 3.32Å; E212-G214 PolarHBondContact O-N 2.9Å; G214-Y216 PolarHBondContact O-N 3.49Å; G214-Y217 WeakPolarHBondContact O-CB 3.29Å; G214-Y217 PolarHBondContact O-N 2.9Å
215	R	97.2	Very high	97.7	Very high	141 Å²	141	45.9 Å²	45.9	53%	0.532	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	128.4	177.2	-169.4	-179.6	-179.1	171.1	2.2	110.9	V209 A211 E212 S213 Y217	V209-R215 HydrophobicContact CG2-CG 4.42Å; V209-R215 CarbonylContact O-C 3.6Å; A211-R215 PolarHBondContact O-N 2.7Å; E212-R215 WeakPolarHBondContact O-CB 3.46Å; E212-R215 PolarHBondContact O-N 2.82Å; S213-R215 VanDerWaalsContact C-N 3.26Å; S213-R215 PolarHBondContact O-N 3.19Å; R215-Y217 VanDerWaalsContact C-N 3.27Å; R215-Y217 WeakPolarHBondContact O-CD2 3.32Å
216	Y	97.3	Very high	97.7	Very high	50 Å²	50	44 Å²	44	20%	0.196	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	-0.2	-169.8	-53.2	-67.4	0	0	0	116.2	V209 G214 N365 M368 L369	V209-Y216 HydrophobicContact CB-CD1 4.39Å; V209-Y216 HydrophobicContact CG2-CD1 4.47Å; V209-Y216 HydrophobicContact CG2-CE1 4.48Å; V209-Y216 WeakPolarHBondContact O-CA 3.34Å; V209-Y216 PolarHBondContact O-N 3.36Å; G214-Y216 PolarHBondContact O-N 3.49Å; Y216-N365 HydrophobicContact CD1-CB 4.26Å; Y216-M368 HydrophobicContact CD1-CB 3.85Å; Y216-M368 HydrophobicContact CD1-CG 4.34Å; Y216-M368 HydrophobicContact CD2-CB 3.6Å; Y216-M368 HydrophobicContact CE1-CB 3.81Å; Y216-M368 HydrophobicContact CE1-CG 3.87Å; Y216-M368 HydrophobicContact CE2-CB 3.56Å; Y216-M368 HydrophobicContact CE2-CE 4.39Å; Y216-M368 HydrophobicContact CE2-CG 4.15Å; Y216-M368 HydrophobicContact CG-CB 3.75Å; Y216-L369 WeakPolarHBondContact O-CD2 3.28Å
217	Y	98	Very high	97.8	Very high	18 Å²	18	43.1 Å²	43.1	7%	0.071	20%	0.203	C	C	.	.	S	Bend	trans	-96.3	8.3	174.6	-63.1	-90.5	0	0	0	112.9	D185 M188 T189 S213 G214 R215 Y247 L369 P373	D185-Y217 HydrophobicContact CB-CD1 4.06Å; D185-Y217 HydrophobicContact CB-CD2 3.7Å; D185-Y217 HydrophobicContact CB-CE1 3.86Å; D185-Y217 HydrophobicContact CB-CE2 3.5Å; D185-Y217 HydrophobicContact CB-CG 3.99Å; M188-Y217 CarbonylContact C-O 3.53Å; M188-Y217 WeakPolarHBondContact CA-O 3.32Å; M188-Y217 WeakPolarHBondContact CG-O 3.44Å; T189-Y217 PolarHBondContact N-O 3.4Å; S213-Y217 WeakPolarHBondContact O-CD2 3.31Å; G214-Y217 WeakPolarHBondContact O-CB 3.29Å; G214-Y217 PolarHBondContact O-N 2.9Å; R215-Y217 VanDerWaalsContact C-N 3.27Å; R215-Y217 WeakPolarHBondContact O-CD2 3.32Å; Y217-Y247 AromaticContact CD1-CD2 3.74Å; Y217-Y247 HydrophobicContact CD1-CD2 3.74Å; Y217-Y247 AromaticContact CD1-CE2 3.4Å; Y217-Y247 HydrophobicContact CD1-CE2 3.4Å; Y217-Y247 VanDerWaalsContact CD1-CE2 3.4Å; Y217-Y247 AromaticContact CE1-CD2 3.66Å; Y217-Y247 HydrophobicContact CE1-CD2 3.66Å; Y217-Y247 AromaticContact CE1-CE2 3.5Å; Y217-Y247 HydrophobicContact CE1-CE2 3.5Å; Y217-L369 HydrophobicContact CD1-CD2 3.81Å; Y217-L369 HydrophobicContact CD2-CD2 4.03Å; Y217-L369 HydrophobicContact CE1-CD2 3.55Å; Y217-L369 HydrophobicContact CE2-CD2 3.77Å; Y217-L369 HydrophobicContact CG-CD2 4.05Å; Y217-P373 HydrophobicContact CE1-CG 3.96Å; Y217-P373 WeakPolarHBondContact OH-CG 3.49Å
218	C	98.6	Very high	97.9	Very high	4 Å²	4	37.7 Å²	37.7	3%	0.027	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	127	168.5	155.2	0	0	0	0	107.6	Q178 Y182 E208 V209	Q178-C218 PolarHBondContact OE1-SG 3.25Å; Y182-C218 HydrophobicContact CD2-CB 4.49Å; Y182-C218 HydrophobicContact CE2-CB 4.41Å; E208-C218 PolarHBondContact O-SG 3.09Å; V209-C218 WeakPolarHBondContact CA-O 3.5Å
219	L	98.6	Very high	97.9	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.031	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	116.7	-172.3	-167.5	170.6	0	0	0	109.6	M188 T189 V190 S191 V221 V239 V243 V362 L366	M188-L219 HydrophobicContact CE-CB 4.01Å; M188-L219 HydrophobicContact CE-CD1 3.8Å; T189-L219 PolarHBondContact O-N 3.32Å; V190-L219 VanDerWaalsContact CA-O 3.32Å; V190-L219 WeakPolarHBondContact CA-O 3.26Å; V190-L219 HydrophobicContact CG1-CD2 4.16Å; V190-L219 HydrophobicContact CG2-CB 4.28Å; S191-L219 PolarHBondContact N-O 3.25Å; L219-V221 HydrophobicContact CD2-CG2 3.59Å; L219-V239 HydrophobicContact CD1-CG1 4.44Å; L219-V239 HydrophobicContact CD2-CG1 4.35Å; L219-V243 HydrophobicContact CD1-CG2 3.89Å; L219-V362 HydrophobicContact CD1-CG1 3.78Å; L219-V362 HydrophobicContact CD2-CB 4.45Å; L219-V362 HydrophobicContact CD2-CG1 3.64Å; L219-V362 HydrophobicContact CD2-CG2 3.96Å; L219-V362 HydrophobicContact CG-CG1 3.96Å; L219-L366 HydrophobicContact CD1-CD1 4.07Å; L219-L366 HydrophobicContact CD1-CD2 3.66Å; L219-L366 HydrophobicContact CD1-CG 3.83Å
220	N	98.8	Very high	97.9	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.027	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	135.9	-179.8	-71.5	-59.4	0	0	0	111.5	H173 Q178 H193 G204 D205 E208 P222	H173-N220 PolarHBondContact CD2-OD1 2.76Å; H173-N220 PolarHBondContact NE2-OD1 3.27Å; Q178-N220 PolarHBondContact OE1-ND2 2.88Å; Q178-N220 PolarHBondContact OE1-OD1 3.47Å; H193-N220 PolarHBondContact CE1-OD1 3.36Å; G204-N220 WeakPolarHBondContact O-CB 3.43Å; D205-N220 WeakPolarHBondContact O-CB 3.47Å; E208-N220 PolarHBondContact O-ND2 3.14Å; N220-P222 WeakPolarHBondContact O-CD 3.35Å
221	V	98.8	Very high	97.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	83.3	177.1	-171.8	0	0	0	0	108	S191 F192 H193 L219 L223 L235 I358 V362	S191-V221 PolarHBondContact O-N 3.33Å; F192-V221 HydrophobicContact CB-CB 4.46Å; F192-V221 HydrophobicContact CD1-CB 3.55Å; F192-V221 HydrophobicContact CD1-CG1 3.55Å; F192-V221 HydrophobicContact CD1-CG2 3.79Å; F192-V221 HydrophobicContact CE1-CB 3.94Å; F192-V221 HydrophobicContact CE1-CG1 3.86Å; F192-V221 HydrophobicContact CE1-CG2 3.65Å; F192-V221 HydrophobicContact CG-CB 4.02Å; F192-V221 HydrophobicContact CG-CG1 4.44Å; F192-V221 HydrophobicContact CG-CG2 4.27Å; F192-V221 HydrophobicContact CZ-CG2 4.03Å; H193-V221 PolarHBondContact N-O 3.46Å; L219-V221 HydrophobicContact CD2-CG2 3.59Å; V221-L223 HydrophobicContact CG1-CD2 4.16Å; V221-L223 HydrophobicContact CG1-CG 4.49Å; V221-L235 HydrophobicContact CG1-CD2 3.37Å; V221-L235 HydrophobicContact CG1-CG 4.12Å; V221-I358 HydrophobicContact CG1-CG2 3.8Å; V221-V362 HydrophobicContact CG2-CG2 4.28Å
222	P	98.6	Very high	98	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	129.8	-179.6	28.4	-34.2	0	0	0	110.8	Y195 M206 N220 Y354 I358	Y195-P222 VanDerWaalsContact CB-CB 3.41Å; Y195-P222 HydrophobicContact CD1-CB 3.92Å; Y195-P222 HydrophobicContact CG-CB 3.8Å; M206-P222 HydrophobicContact CB-CG 3.98Å; M206-P222 HydrophobicContact CE-CG 4.1Å; N220-P222 WeakPolarHBondContact O-CD 3.35Å; P222-Y354 PolarHBondContact O-OH 3.45Å; P222-I358 HydrophobicContact CG-CD1 3.94Å
223	L	98.7	Very high	98.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	167.9	-176.4	-57.9	173	0	0	0	111.6	H193 K194 Y195 V221 I227 Y232 L235 F269 L355	H193-L223 WeakPolarHBondContact O-CB 3.29Å; H193-L223 PolarHBondContact O-N 3.43Å; K194-L223 WeakPolarHBondContact CA-O 3.42Å; Y195-L223 PolarHBondContact N-O 3.02Å; V221-L223 HydrophobicContact CG1-CD2 4.16Å; V221-L223 HydrophobicContact CG1-CG 4.49Å; L223-I227 HydrophobicContact CD1-CD1 3.76Å; L223-I227 HydrophobicContact CD2-CD1 3.95Å; L223-I227 HydrophobicContact CG-CD1 4.35Å; L223-Y232 HydrophobicContact CD1-CD2 4.22Å; L223-Y232 HydrophobicContact CD1-CE2 4.03Å; L223-L235 HydrophobicContact CD2-CD2 3.8Å; L223-F269 HydrophobicContact CB-CE1 4.09Å; L223-F269 HydrophobicContact CB-CZ 3.77Å; L223-F269 HydrophobicContact CD1-CE2 4.06Å; L223-F269 HydrophobicContact CD1-CZ 3.73Å; L223-F269 HydrophobicContact CG-CZ 4.37Å; L223-L355 HydrophobicContact CD2-CD2 3.88Å
224	R	98.4	Very high	98.2	Very high	117 Å²	117	40.2 Å²	40.2	44%	0.442	18%	0.178	S	C	.	.			trans	-112.1	173.2	176.9	-59.2	175.9	180	-159.7	-0.5	110.9	F269 Q349 N350 Y354	R224-F269 WeakPolarHBondContact O-CE1 3.49Å; R224-Q349 HydrophobicContact CB-CB 3.9Å; R224-Q349 VanDerWaalsContact CD-O 3.31Å; R224-Q349 WeakPolarHBondContact CD-O 3.49Å; R224-N350 WeakPolarHBondContact CB-OD1 3.45Å; R224-N350 PolarHBondContact N-OD1 3.01Å; R224-N350 PolarHBondContact O-ND2 3.43Å; R224-Y354 HydrophobicContact CG-CE1 3.84Å
225	D	98.2	Very high	98.2	Very high	58 Å²	58	40.5 Å²	40.5	31%	0.31	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	149.8	-178.9	-57.6	-11.4	0	0	0	113	K194 I227 C268 I346 Q349 N350	K194-D225 WeakPolarHBondContact CD-OD1 3.4Å; K194-D225 WeakPolarHBondContact CE-OD1 3.15Å; D225-I227 PolarHBondContact O-N 3.12Å; D225-C268 PolarHBondContact OD1-SG 3.22Å; D225-I346 HydrophobicContact CB-CG2 4.37Å; D225-Q349 HydrophobicContact CB-CG 4.38Å; D225-Q349 PolarHBondContact O-N 2.91Å; D225-N350 PolarHBondContact O-ND2 3.43Å
226	G	97.8	Very high	98.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	73	18.3	166.9	0	0	0	0	0	115.6	D228 C268 N348	G226-D228 PolarHBondContact O-N 3.36Å; G226-C268 PolarHBondContact N-O 3.38Å; G226-N348 WeakPolarHBondContact O-CA 3.4Å; G226-N348 WeakPolarHBondContact O-CB 3.13Å; G226-N348 VanDerWaalsContact O-CG 3.23Å
227	I	98.4	Very high	98.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.159	C	C	.	.			trans	-57.1	129.6	175.7	-162.7	166.4	0	0	0	110.5	L223 D225 Y232 F269 N270 L271 L355	L223-I227 HydrophobicContact CD1-CD1 3.76Å; L223-I227 HydrophobicContact CD2-CD1 3.95Å; L223-I227 HydrophobicContact CG-CD1 4.35Å; D225-I227 PolarHBondContact O-N 3.12Å; I227-Y232 HydrophobicContact CD1-CD2 4.01Å; I227-Y232 HydrophobicContact CG2-CD2 4.01Å; I227-F269 HydrophobicContact CG2-CB 4.12Å; I227-F269 HydrophobicContact CG2-CD1 3.71Å; I227-F269 HydrophobicContact CG2-CD2 3.61Å; I227-F269 HydrophobicContact CG2-CE1 3.96Å; I227-F269 HydrophobicContact CG2-CE2 3.89Å; I227-F269 HydrophobicContact CG2-CG 3.53Å; I227-F269 HydrophobicContact CG2-CZ 4.06Å; I227-N270 CarbonylContact O-C 3.56Å; I227-N270 WeakPolarHBondContact O-CA 3.22Å; I227-N270 WeakPolarHBondContact O-CB 3.36Å; I227-N270 PolarHBondContact O-N 3.23Å; I227-L271 HydrophobicContact CG2-CD2 4.37Å; I227-L355 HydrophobicContact CD1-CD2 4.34Å
228	D	97.8	Very high	98.4	Very high	50 Å²	50	35.5 Å²	35.5	27%	0.267	17%	0.168	S	C	.	.	B	Isolated β-bridge	trans	-94.9	166.7	179.6	57.9	43.5	0	0	0	112.5	G226 Q230 S231 Y232 N348	G226-D228 PolarHBondContact O-N 3.36Å; D228-Q230 VanDerWaalsContact C-N 3.27Å; D228-Q230 PolarHBondContact O-N 2.84Å; D228-Q230 PolarHBondContact OD1-N 2.92Å; D228-S231 PolarHBondContact O-N 3.45Å; D228-S231 WeakPolarHBondContact OD1-CB 3.41Å; D228-S231 PolarHBondContact OD1-N 3.41Å; D228-S231 PolarHBondContact OD1-OG 2.79Å; D228-Y232 WeakPolarHBondContact O-CB 3.39Å; D228-Y232 PolarHBondContact O-N 2.98Å; D228-N348 PolarHBondContact OD2-ND2 3.13Å
229	D	98.2	Very high	98.3	Very high	47 Å²	47	35.3 Å²	35.3	25%	0.251	17%	0.167	S	C	.	.	H	α-helix	trans	-51.8	-44.5	-179.9	-66.5	-11.4	0	0	0	112.8	R233 L271 S272	D229-R233 VanDerWaalsContact O-CB 3.3Å; D229-R233 WeakPolarHBondContact O-CB 3.44Å; D229-R233 PolarHBondContact O-N 2.98Å; D229-L271 VanDerWaalsContact OD1-CA 3.32Å; D229-L271 WeakPolarHBondContact OD1-CA 3.45Å; D229-S272 PolarHBondContact OD1-N 2.82Å; D229-S272 VanDerWaalsContact OD2-CB 3.26Å; D229-S272 WeakPolarHBondContact OD2-CB 3.38Å; D229-S272 PolarHBondContact OD2-OG 3.21Å
230	Q	97.9	Very high	98.4	Very high	115 Å²	115	35 Å²	35	54%	0.537	17%	0.165	S	C	.	.	H	α-helix	trans	-66.7	-47.4	-176.3	-179.8	177.2	-1.2	0	0	111.2	D228 Q234	D228-Q230 VanDerWaalsContact C-N 3.27Å; D228-Q230 PolarHBondContact O-N 2.84Å; D228-Q230 PolarHBondContact OD1-N 2.92Å; Q230-Q234 WeakPolarHBondContact O-CB 3.49Å; Q230-Q234 VanDerWaalsContact O-CG 3.23Å; Q230-Q234 WeakPolarHBondContact O-CG 3.47Å; Q230-Q234 PolarHBondContact O-N 3.28Å
231	S	98.3	Very high	98.3	Very high	19 Å²	19	39.5 Å²	39.5	13%	0.133	19%	0.185	C	C	.	.	H	α-helix	trans	-64.2	-44.3	179.8	-59.2	0	0	0	0	110.7	D228 Q234 L235 N348	D228-S231 PolarHBondContact O-N 3.45Å; D228-S231 WeakPolarHBondContact OD1-CB 3.41Å; D228-S231 PolarHBondContact OD1-N 3.41Å; D228-S231 PolarHBondContact OD1-OG 2.79Å; S231-Q234 PolarHBondContact O-N 3.29Å; S231-L235 PolarHBondContact O-N 2.63Å; S231-N348 PolarHBondContact OG-ND2 3.28Å
232	Y	98.7	Very high	98.2	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-62.9	-49.7	178.1	-161.6	-79.4	0	0	0	110.8	I169 F192 L223 I227 D228 Q234 L235 F236 F269 L271 C279	I169-Y232 WeakPolarHBondContact CG2-OH 3.48Å; F192-Y232 HydrophobicContact CB-CE2 4.2Å; F192-Y232 WeakPolarHBondContact CB-OH 3.4Å; L223-Y232 HydrophobicContact CD1-CD2 4.22Å; L223-Y232 HydrophobicContact CD1-CE2 4.03Å; I227-Y232 HydrophobicContact CD1-CD2 4.01Å; I227-Y232 HydrophobicContact CG2-CD2 4.01Å; D228-Y232 WeakPolarHBondContact O-CB 3.39Å; D228-Y232 PolarHBondContact O-N 2.98Å; Y232-Q234 PolarHBondContact O-N 2.94Å; Y232-L235 PolarHBondContact O-N 3.03Å; Y232-L235 VanDerWaalsContact O-N 3.12Å; Y232-F236 HydrophobicContact CD1-CB 3.96Å; Y232-F236 HydrophobicContact CD1-CG 4.49Å; Y232-F236 HydrophobicContact CE1-CB 3.94Å; Y232-F236 AromaticContact CE1-CD2 3.82Å; Y232-F236 HydrophobicContact CE1-CD2 3.82Å; Y232-F236 HydrophobicContact CE1-CG 4.08Å; Y232-F236 VanDerWaalsContact O-CB 3.29Å; Y232-F236 WeakPolarHBondContact O-CB 3.41Å; Y232-F236 PolarHBondContact O-N 2.8Å; Y232-F269 HydrophobicContact CE2-CE2 4.21Å; Y232-L271 HydrophobicContact CD2-CD1 3.92Å; Y232-L271 HydrophobicContact CD2-CD2 4.02Å; Y232-L271 HydrophobicContact CD2-CG 4.5Å; Y232-L271 HydrophobicContact CE2-CD1 4.04Å; Y232-L271 HydrophobicContact CG-CD1 4.18Å; Y232-L271 HydrophobicContact CG-CD2 3.92Å; Y232-C279 VanDerWaalsContact CE1-SG 3.59Å
233	R	98.4	Very high	98.2	Very high	95 Å²	95	41.5 Å²	41.5	36%	0.358	19%	0.194	S	C	.	.	H	α-helix	trans	-57.4	-45.9	176.6	177.7	179.3	55.1	-155.2	9.4	112.6	D229 L235 F236 Q237 E278	D229-R233 VanDerWaalsContact O-CB 3.3Å; D229-R233 WeakPolarHBondContact O-CB 3.44Å; D229-R233 PolarHBondContact O-N 2.98Å; R233-L235 PolarHBondContact O-N 3.39Å; R233-F236 PolarHBondContact O-N 3.18Å; R233-Q237 HydrophobicContact CG-CG 3.97Å; R233-Q237 PolarHBondContact O-N 3.05Å; R233-Q237 VanDerWaalsContact O-N 3.14Å; R233-E278 VanDerWaalsContact CD-OE2 3.23Å; R233-E278 WeakPolarHBondContact CD-OE2 3.43Å; R233-E278 IonicContact CZ-OE2 3.83Å; R233-E278 IonicContact NE-OE2 3.73Å; R233-E278 IonicContact NH1-OE1 2.63Å; R233-E278 PolarHBondContact NH1-OE1 2.99Å; R233-E278 IonicContact NH1-OE2 2.63Å; R233-E278 PolarHBondContact NH1-OE2 3.14Å
234	Q	97.8	Very high	98.2	Very high	114 Å²	114	42 Å²	42	53%	0.533	20%	0.197	S	C	.	.	H	α-helix	trans	-64.1	-17.8	-178.1	-77	-178	-3.4	0	0	113.3	Q230 S231 Y232 P238	Q230-Q234 WeakPolarHBondContact O-CB 3.49Å; Q230-Q234 VanDerWaalsContact O-CG 3.23Å; Q230-Q234 WeakPolarHBondContact O-CG 3.47Å; Q230-Q234 PolarHBondContact O-N 3.28Å; S231-Q234 PolarHBondContact O-N 3.29Å; Y232-Q234 PolarHBondContact O-N 2.94Å; Q234-P238 WeakPolarHBondContact O-CD 3.36Å; Q234-P238 WeakPolarHBondContact O-CG 3.44Å
235	L	98	Very high	98	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.031	19%	0.194	C	C	.	.	H	α-helix	trans	-97.8	-50.1	173.3	-172.3	62.6	0	0	0	112	F192 V221 L223 S231 Y232 R233 P238 V239 L355 R359	F192-L235 HydrophobicContact CE1-CG 4.35Å; V221-L235 HydrophobicContact CG1-CD2 3.37Å; V221-L235 HydrophobicContact CG1-CG 4.12Å; L223-L235 HydrophobicContact CD2-CD2 3.8Å; S231-L235 PolarHBondContact O-N 2.63Å; Y232-L235 PolarHBondContact O-N 3.03Å; Y232-L235 VanDerWaalsContact O-N 3.12Å; R233-L235 PolarHBondContact O-N 3.39Å; L235-P238 WeakPolarHBondContact O-CD 3.27Å; L235-V239 HydrophobicContact CD1-CG2 4.19Å; L235-V239 WeakPolarHBondContact O-CB 3.39Å; L235-V239 WeakPolarHBondContact O-CG2 3.21Å; L235-V239 PolarHBondContact O-N 3.37Å; L235-L355 HydrophobicContact CD2-CD2 4.1Å; L235-R359 HydrophobicContact CD1-CB 3.73Å; L235-R359 HydrophobicContact CD1-CG 4.1Å
236	F	98.8	Very high	97.9	Very high	1 Å²	1	39.9 Å²	39.9	0%	0.004	19%	0.19	C	C	.	.	H	α-helix	trans	-58.9	-55.1	-175	-177.6	-93.3	0	0	0	112.4	I167 I169 F192 Y232 R233 V239 I240 C279 F282 V283	I167-F236 HydrophobicContact CG2-CE2 3.92Å; I167-F236 HydrophobicContact CG2-CZ 4.16Å; I169-F236 HydrophobicContact CG2-CD2 4.3Å; I169-F236 HydrophobicContact CG2-CE2 3.62Å; I169-F236 HydrophobicContact CG2-CZ 4.33Å; F192-F236 HydrophobicContact CD1-CD2 4.43Å; F192-F236 AromaticContact CD2-CD2 3.92Å; F192-F236 HydrophobicContact CD2-CD2 3.92Å; F192-F236 HydrophobicContact CD2-CE2 4.17Å; F192-F236 HydrophobicContact CE1-CB 4.32Å; F192-F236 HydrophobicContact CE1-CD2 4.1Å; F192-F236 AromaticContact CE2-CD2 3.54Å; F192-F236 HydrophobicContact CE2-CD2 3.54Å; F192-F236 AromaticContact CE2-CE2 3.82Å; F192-F236 HydrophobicContact CE2-CE2 3.82Å; F192-F236 HydrophobicContact CG-CD2 4.36Å; F192-F236 HydrophobicContact CZ-CB 4.43Å; F192-F236 AromaticContact CZ-CD2 3.65Å; F192-F236 HydrophobicContact CZ-CD2 3.65Å; F192-F236 HydrophobicContact CZ-CE2 4.32Å; F192-F236 HydrophobicContact CZ-CG 4.36Å; Y232-F236 HydrophobicContact CD1-CB 3.96Å; Y232-F236 HydrophobicContact CD1-CG 4.49Å; Y232-F236 HydrophobicContact CE1-CB 3.94Å; Y232-F236 AromaticContact CE1-CD2 3.82Å; Y232-F236 HydrophobicContact CE1-CD2 3.82Å; Y232-F236 HydrophobicContact CE1-CG 4.08Å; Y232-F236 VanDerWaalsContact O-CB 3.29Å; Y232-F236 WeakPolarHBondContact O-CB 3.41Å; Y232-F236 PolarHBondContact O-N 2.8Å; R233-F236 PolarHBondContact O-N 3.18Å; F236-V239 PolarHBondContact O-N 3.14Å; F236-I240 HydrophobicContact CD1-CG1 4.2Å; F236-I240 HydrophobicContact CD2-CG1 4.02Å; F236-I240 HydrophobicContact CE1-CG1 3.93Å; F236-I240 HydrophobicContact CE2-CD1 4.32Å; F236-I240 HydrophobicContact CE2-CG1 3.74Å; F236-I240 HydrophobicContact CG-CG1 4.25Å; F236-I240 HydrophobicContact CZ-CG1 3.69Å; F236-I240 WeakPolarHBondContact O-CB 3.45Å; F236-I240 WeakPolarHBondContact O-CG1 3.35Å; F236-I240 PolarHBondContact O-N 3.33Å; F236-C279 HydrophobicContact CD1-CB 4.16Å; F236-C279 HydrophobicContact CE1-CB 3.67Å; F236-C279 HydrophobicContact CE2-CB 4.24Å; F236-C279 HydrophobicContact CZ-CB 3.71Å; F236-F282 HydrophobicContact CD1-CD1 4.31Å; F236-F282 HydrophobicContact CE1-CB 4.47Å; F236-F282 HydrophobicContact CE1-CD1 4.03Å; F236-V283 HydrophobicContact CE1-CG2 4.25Å; F236-V283 HydrophobicContact CZ-CG2 3.97Å
237	Q	98.6	Very high	97.9	Very high	62 Å²	62	39.9 Å²	39.9	29%	0.29	19%	0.191	S	C	.	.	H	α-helix	trans	-62.9	-46.9	-173.5	-64.6	-176.5	-12.1	0	0	112.5	R233 V239 K241 F282	R233-Q237 HydrophobicContact CG-CG 3.97Å; R233-Q237 PolarHBondContact O-N 3.05Å; R233-Q237 VanDerWaalsContact O-N 3.14Å; Q237-V239 PolarHBondContact O-N 2.86Å; Q237-K241 WeakPolarHBondContact O-CB 3.47Å; Q237-K241 PolarHBondContact O-N 3.05Å; Q237-F282 HydrophobicContact CB-CD1 4.25Å; Q237-F282 HydrophobicContact CB-CD2 4.23Å; Q237-F282 HydrophobicContact CB-CE1 3.93Å; Q237-F282 HydrophobicContact CB-CE2 3.92Å; Q237-F282 HydrophobicContact CB-CG 4.38Å; Q237-F282 HydrophobicContact CB-CZ 3.75Å; Q237-F282 HydrophobicContact CG-CB 4.35Å; Q237-F282 HydrophobicContact CG-CD1 3.98Å; Q237-F282 HydrophobicContact CG-CD2 3.76Å; Q237-F282 HydrophobicContact CG-CE1 4.18Å; Q237-F282 HydrophobicContact CG-CE2 3.97Å; Q237-F282 HydrophobicContact CG-CG 3.76Å; Q237-F282 HydrophobicContact CG-CZ 4.17Å; Q237-F282 WeakPolarHBondContact O-CE1 3.45Å; Q237-F282 WeakPolarHBondContact O-CZ 3.45Å
238	P	98.2	Very high	97.8	Very high	41 Å²	41	44.6 Å²	44.6	27%	0.266	21%	0.213	S	C	.	.	H	α-helix	trans	-63.7	-38.3	176.5	-26.2	38.5	0	0	0	113.9	Q234 L235 Q242 F363	Q234-P238 WeakPolarHBondContact O-CD 3.36Å; Q234-P238 WeakPolarHBondContact O-CG 3.44Å; L235-P238 WeakPolarHBondContact O-CD 3.27Å; P238-Q242 PolarHBondContact O-N 3.25Å; P238-F363 HydrophobicContact CB-CZ 3.86Å
239	V	98.3	Very high	97.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.6	-55.6	178	169.9	0	0	0	0	110.5	F192 L219 L235 F236 Q237 K241 Q242 V243 V362 F363	F192-V239 HydrophobicContact CE1-CB 4.48Å; F192-V239 HydrophobicContact CE1-CG1 4.48Å; F192-V239 HydrophobicContact CZ-CB 4.08Å; F192-V239 HydrophobicContact CZ-CG1 3.84Å; L219-V239 HydrophobicContact CD1-CG1 4.44Å; L219-V239 HydrophobicContact CD2-CG1 4.35Å; L235-V239 HydrophobicContact CD1-CG2 4.19Å; L235-V239 WeakPolarHBondContact O-CB 3.39Å; L235-V239 WeakPolarHBondContact O-CG2 3.21Å; L235-V239 PolarHBondContact O-N 3.37Å; F236-V239 PolarHBondContact O-N 3.14Å; Q237-V239 PolarHBondContact O-N 2.86Å; V239-K241 VanDerWaalsContact C-N 3.27Å; V239-K241 PolarHBondContact O-N 3.42Å; V239-Q242 PolarHBondContact O-N 3.11Å; V239-Q242 VanDerWaalsContact O-N 3.11Å; V239-V243 HydrophobicContact CG1-CG2 4.23Å; V239-V243 WeakPolarHBondContact O-CG2 3.42Å; V239-V243 PolarHBondContact O-N 3.24Å; V239-V362 HydrophobicContact CG1-CG1 3.93Å; V239-V362 HydrophobicContact CG2-CG1 3.97Å; V239-F363 HydrophobicContact CG2-CE1 3.89Å
240	I	98.8	Very high	97.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.1	-37	-178.9	-64.7	-53.5	0	0	0	111.4	I167 V190 F192 F236 Q242 V243 V244 F282 F286	I167-I240 HydrophobicContact CD1-CD1 3.99Å; I167-I240 HydrophobicContact CD1-CG2 4.06Å; I167-I240 HydrophobicContact CG1-CD1 4.16Å; I167-I240 HydrophobicContact CG2-CD1 4Å; V190-I240 HydrophobicContact CB-CD1 4.42Å; V190-I240 HydrophobicContact CG1-CD1 3.86Å; F192-I240 HydrophobicContact CE2-CD1 3.9Å; F192-I240 HydrophobicContact CE2-CG1 4.28Å; F192-I240 HydrophobicContact CZ-CD1 4.21Å; F192-I240 HydrophobicContact CZ-CG1 4.29Å; F236-I240 HydrophobicContact CD1-CG1 4.2Å; F236-I240 HydrophobicContact CD2-CG1 4.02Å; F236-I240 HydrophobicContact CE1-CG1 3.93Å; F236-I240 HydrophobicContact CE2-CD1 4.32Å; F236-I240 HydrophobicContact CE2-CG1 3.74Å; F236-I240 HydrophobicContact CG-CG1 4.25Å; F236-I240 HydrophobicContact CZ-CG1 3.69Å; F236-I240 WeakPolarHBondContact O-CB 3.45Å; F236-I240 WeakPolarHBondContact O-CG1 3.35Å; F236-I240 PolarHBondContact O-N 3.33Å; I240-Q242 PolarHBondContact O-N 2.91Å; I240-V243 PolarHBondContact O-N 3.25Å; I240-V244 HydrophobicContact CG2-CG2 4.39Å; I240-V244 WeakPolarHBondContact O-CG2 3.28Å; I240-V244 PolarHBondContact O-N 3Å; I240-F282 HydrophobicContact CB-CD1 4.4Å; I240-F282 HydrophobicContact CB-CE1 4.02Å; I240-F282 HydrophobicContact CG2-CD1 4.25Å; I240-F282 HydrophobicContact CG2-CE1 4.03Å; I240-F286 HydrophobicContact CG2-CE2 3.78Å; I240-F286 HydrophobicContact CG2-CZ 4.23Å
241	K	98.4	Very high	97.9	Very high	99 Å²	99	37 Å²	37	43%	0.43	18%	0.177	S	C	.	.	H	α-helix	trans	-56.6	-50.1	173.2	179.4	163	173.4	39.3	0	112	Q237 V239 V243 V244 D245 F282	Q237-K241 WeakPolarHBondContact O-CB 3.47Å; Q237-K241 PolarHBondContact O-N 3.05Å; V239-K241 VanDerWaalsContact C-N 3.27Å; V239-K241 PolarHBondContact O-N 3.42Å; K241-V243 VanDerWaalsContact C-N 3.34Å; K241-V244 PolarHBondContact O-N 3.46Å; K241-D245 IonicContact NZ-OD1 3.22Å; K241-D245 PolarHBondContact NZ-OD1 2.91Å; K241-D245 IonicContact NZ-OD2 3.7Å; K241-D245 PolarHBondContact NZ-OD2 3.37Å; K241-D245 WeakPolarHBondContact O-CB 3.24Å; K241-D245 PolarHBondContact O-N 3.34Å; K241-F282 HydrophobicContact CB-CZ 4.15Å
242	Q	96.8	Very high	97.9	Very high	44 Å²	44	36.1 Å²	36.1	21%	0.206	17%	0.171	C	C	.	.	H	α-helix	trans	-66.5	-38.5	179	-73.8	-170.6	28.6	0	0	111.9	P238 V239 I240 V244 D245 Y246 F363 L366	P238-Q242 PolarHBondContact O-N 3.25Å; V239-Q242 PolarHBondContact O-N 3.11Å; V239-Q242 VanDerWaalsContact O-N 3.11Å; I240-Q242 PolarHBondContact O-N 2.91Å; Q242-V244 VanDerWaalsContact C-N 3.35Å; Q242-V244 PolarHBondContact O-N 3.05Å; Q242-D245 PolarHBondContact O-N 3.11Å; Q242-Y246 HydrophobicContact CB-CD2 4.18Å; Q242-Y246 HydrophobicContact CB-CE2 4.19Å; Q242-Y246 HydrophobicContact CG-CE2 4.46Å; Q242-Y246 WeakPolarHBondContact O-CD2 3.37Å; Q242-Y246 PolarHBondContact O-N 2.96Å; Q242-F363 HydrophobicContact CG-CE1 4.37Å; Q242-F363 VanDerWaalsContact NE2-CD2 3.32Å; Q242-F363 VanDerWaalsContact OE1-CD1 3.31Å; Q242-L366 HydrophobicContact CB-CD1 3.72Å
243	V	98.1	Very high	98	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-55.5	-52.1	174.4	175	0	0	0	0	110.1	L165 M188 V190 L219 V239 I240 K241 D245 Y246 Y247 L366	L165-V243 HydrophobicContact CD1-CG1 3.57Å; L165-V243 HydrophobicContact CD2-CG1 3.86Å; L165-V243 HydrophobicContact CG-CG1 4.39Å; M188-V243 HydrophobicContact CE-CG1 4.09Å; M188-V243 HydrophobicContact CE-CG2 4.25Å; M188-V243 HydrophobicContact SD-CG1 3.71Å; V190-V243 HydrophobicContact CG2-CG1 4.07Å; V190-V243 HydrophobicContact CG2-CG2 4.11Å; L219-V243 HydrophobicContact CD1-CG2 3.89Å; V239-V243 HydrophobicContact CG1-CG2 4.23Å; V239-V243 WeakPolarHBondContact O-CG2 3.42Å; V239-V243 PolarHBondContact O-N 3.24Å; I240-V243 PolarHBondContact O-N 3.25Å; K241-V243 VanDerWaalsContact C-N 3.34Å; V243-D245 PolarHBondContact O-N 3.16Å; V243-Y246 PolarHBondContact O-N 3.38Å; V243-Y247 WeakPolarHBondContact O-CA 3.23Å; V243-Y247 WeakPolarHBondContact O-CB 3.48Å; V243-Y247 PolarHBondContact O-N 3.07Å; V243-L366 HydrophobicContact CG2-CD1 4.08Å; V243-L366 HydrophobicContact CG2-CD2 3.96Å
244	V	97.9	Very high	98	Very high	9 Å²	9	31.4 Å²	31.4	6%	0.055	15%	0.153	C	C	.	.	H	α-helix	trans	-62.1	-43.6	179	174.3	0	0	0	0	111.3	L165 I240 K241 Q242 Y246 Q248 P249 F286 I288	L165-V244 HydrophobicContact CD2-CG2 4.03Å; I240-V244 HydrophobicContact CG2-CG2 4.39Å; I240-V244 WeakPolarHBondContact O-CG2 3.28Å; I240-V244 PolarHBondContact O-N 3Å; K241-V244 PolarHBondContact O-N 3.46Å; Q242-V244 VanDerWaalsContact C-N 3.35Å; Q242-V244 PolarHBondContact O-N 3.05Å; V244-Y246 PolarHBondContact O-N 2.66Å; V244-Q248 VanDerWaalsContact O-CA 3.31Å; V244-Q248 WeakPolarHBondContact O-CA 3.42Å; V244-Q248 PolarHBondContact O-N 2.96Å; V244-P249 HydrophobicContact CG2-CG 4.4Å; V244-F286 HydrophobicContact CB-CD1 4.21Å; V244-F286 HydrophobicContact CB-CE1 4.01Å; V244-F286 HydrophobicContact CB-CZ 4.35Å; V244-F286 HydrophobicContact CG1-CD1 3.77Å; V244-F286 HydrophobicContact CG1-CE1 4.02Å; V244-F286 HydrophobicContact CG1-CG 4.3Å; V244-F286 HydrophobicContact CG2-CD1 4.22Å; V244-F286 HydrophobicContact CG2-CD2 4.16Å; V244-F286 HydrophobicContact CG2-CE1 4.11Å; V244-F286 HydrophobicContact CG2-CE2 4.1Å; V244-F286 HydrophobicContact CG2-CG 4.24Å; V244-F286 HydrophobicContact CG2-CZ 4.06Å; V244-I288 HydrophobicContact CG1-CD1 4.19Å
245	D	95.6	Very high	98	Very high	74 Å²	74	26 Å²	26	40%	0.396	13%	0.128	S	C	.	.	H	α-helix	trans	-63	-40.8	-178.3	-69.9	-19.7	0	0	0	112.4	K241 Q242 V243 Q248	K241-D245 IonicContact NZ-OD1 3.22Å; K241-D245 PolarHBondContact NZ-OD1 2.91Å; K241-D245 IonicContact NZ-OD2 3.7Å; K241-D245 PolarHBondContact NZ-OD2 3.37Å; K241-D245 WeakPolarHBondContact O-CB 3.24Å; K241-D245 PolarHBondContact O-N 3.34Å; Q242-D245 PolarHBondContact O-N 3.11Å; V243-D245 PolarHBondContact O-N 3.16Å; D245-Q248 PolarHBondContact O-NE2 2.97Å; D245-Q248 VanDerWaalsContact O-NE2 3.14Å
246	Y	95.4	Very high	98.1	Very high	57 Å²	57	25.7 Å²	25.7	22%	0.224	13%	0.127	C	C	.	.	H	α-helix	trans	-85.9	-45.8	179.8	-72.2	-66.4	0	0	0	113.7	Q242 V243 V244 L366 H371	Q242-Y246 HydrophobicContact CB-CD2 4.18Å; Q242-Y246 HydrophobicContact CB-CE2 4.19Å; Q242-Y246 HydrophobicContact CG-CE2 4.46Å; Q242-Y246 WeakPolarHBondContact O-CD2 3.37Å; Q242-Y246 PolarHBondContact O-N 2.96Å; V243-Y246 PolarHBondContact O-N 3.38Å; V244-Y246 PolarHBondContact O-N 2.66Å; Y246-L366 HydrophobicContact CD2-CB 4.2Å; Y246-L366 HydrophobicContact CE2-CB 4.43Å; Y246-H371 AromaticContact CD1-CE1 3.73Å; Y246-H371 AromaticContact CD1-NE2 3.75Å; Y246-H371 AromaticContact CE1-CE1 3.68Å; Y246-H371 AromaticContact CE1-NE2 3.74Å
247	Y	97.2	Very high	98.1	Very high	1 Å²	1	25.6 Å²	25.6	0%	0.004	13%	0.126	C	C	.	.	H	α-helix	trans	-78.8	-28.7	-174.5	-172.2	-121	0	0	0	112.3	R163 L165 D185 R186 V187 M188 Y217 V243 P249	R163-Y247 HydrophobicContact CB-CE1 3.85Å; R163-Y247 HydrophobicContact CB-CE2 4.38Å; R163-Y247 WeakPolarHBondContact CD-O 3.24Å; R163-Y247 HydrophobicContact CG-CE2 4.2Å; R163-Y247 PolarHBondContact NE-O 3.16Å; L165-Y247 HydrophobicContact CB-CD1 4.25Å; L165-Y247 HydrophobicContact CB-CE1 4.33Å; D185-Y247 VanDerWaalsContact O-CE2 3.27Å; D185-Y247 WeakPolarHBondContact O-CE2 3.46Å; D185-Y247 PolarHBondContact O-OH 3.26Å; R186-Y247 PolarHBondContact O-OH 2.87Å; V187-Y247 WeakPolarHBondContact CA-OH 3.43Å; V187-Y247 PolarHBondContact N-OH 2.9Å; M188-Y247 HydrophobicContact CB-CD1 3.7Å; M188-Y247 HydrophobicContact CB-CD2 4.03Å; M188-Y247 HydrophobicContact CB-CE1 3.48Å; M188-Y247 VanDerWaalsContact CB-CE1 3.48Å; M188-Y247 HydrophobicContact CB-CE2 3.85Å; M188-Y247 HydrophobicContact CB-CG 3.98Å; M188-Y247 PolarHBondContact N-OH 3.26Å; M188-Y247 HydrophobicContact SD-CD1 4.27Å; M188-Y247 HydrophobicContact SD-CD2 4.01Å; M188-Y247 HydrophobicContact SD-CG 3.79Å; Y217-Y247 AromaticContact CD1-CD2 3.74Å; Y217-Y247 HydrophobicContact CD1-CD2 3.74Å; Y217-Y247 AromaticContact CD1-CE2 3.4Å; Y217-Y247 HydrophobicContact CD1-CE2 3.4Å; Y217-Y247 VanDerWaalsContact CD1-CE2 3.4Å; Y217-Y247 AromaticContact CE1-CD2 3.66Å; Y217-Y247 HydrophobicContact CE1-CD2 3.66Å; Y217-Y247 AromaticContact CE1-CE2 3.5Å; Y217-Y247 HydrophobicContact CE1-CE2 3.5Å; V243-Y247 WeakPolarHBondContact O-CA 3.23Å; V243-Y247 WeakPolarHBondContact O-CB 3.48Å; V243-Y247 PolarHBondContact O-N 3.07Å; Y247-P249 HydrophobicContact CD1-CB 3.91Å; Y247-P249 HydrophobicContact CD1-CG 4.3Å; Y247-P249 HydrophobicContact CE1-CB 4.16Å
248	Q	97.3	Very high	98.1	Very high	99 Å²	99	22.7 Å²	22.7	46%	0.463	11%	0.113	S	C	.	.			trans	50.3	56.7	179.5	-61.3	-74.8	8.1	0	0	112.3	R163 V244 D245	R163-Q248 VanDerWaalsContact CZ-O 3.28Å; R163-Q248 PolarHBondContact NE-O 3.24Å; R163-Q248 PolarHBondContact NH2-O 3.44Å; V244-Q248 VanDerWaalsContact O-CA 3.31Å; V244-Q248 WeakPolarHBondContact O-CA 3.42Å; V244-Q248 PolarHBondContact O-N 2.96Å; D245-Q248 PolarHBondContact O-NE2 2.97Å; D245-Q248 VanDerWaalsContact O-NE2 3.14Å
249	P	98.3	Very high	98.1	Very high	8 Å²	8	20.8 Å²	20.8	5%	0.052	10%	0.1	C	C	.	.			trans	-64.3	152.7	-179.5	28.3	-33.8	0	0	0	111.4	L165 V244 Y247 I252 I288	L165-P249 HydrophobicContact CB-CB 3.53Å; L165-P249 HydrophobicContact CB-CG 3.76Å; L165-P249 HydrophobicContact CD2-CG 3.94Å; V244-P249 HydrophobicContact CG2-CG 4.4Å; Y247-P249 HydrophobicContact CD1-CB 3.91Å; Y247-P249 HydrophobicContact CD1-CG 4.3Å; Y247-P249 HydrophobicContact CE1-CB 4.16Å; P249-I252 HydrophobicContact CG-CG1 4.43Å; P249-I288 HydrophobicContact CG-CD1 4.11Å
250	T	98.6	Very high	98.1	Very high	43 Å²	43	20.8 Å²	20.8	26%	0.264	10%	0.1	S	C	.	.	S	Bend	trans	-108.4	-9.8	176.8	58	0	0	0	0	113.1	H161 P162 R163 P289	H161-T250 WeakPolarHBondContact CB-OG1 3.36Å; H161-T250 PolarHBondContact CE1-O 3.28Å; H161-T250 VanDerWaalsContact CE1-O 3.27Å; H161-T250 PolarHBondContact ND1-O 3.05Å; H161-T250 VanDerWaalsContact ND1-O 3.14Å; H161-T250 PolarHBondContact ND1-OG1 2.85Å; H161-T250 VanDerWaalsContact ND1-OG1 3.14Å; P162-T250 WeakPolarHBondContact CD-OG1 3.34Å; P162-T250 HydrophobicContact CG-CG2 3.9Å; R163-T250 PolarHBondContact O-N 2.95Å; R163-T250 PolarHBondContact O-OG1 3.2Å; R163-T250 VanDerWaalsContact O-OG1 3.09Å; T250-P289 WeakPolarHBondContact O-CD 3.42Å
251	C	98.9	Very high	98.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	148	168	-167.4	0	0	0	0	108.3	H161 V164 L165 P289	H161-C251 HydrophobicContact CB-CB 4.28Å; V164-C251 WeakPolarHBondContact CA-O 3.25Å; V164-C251 HydrophobicContact CG2-CB 4.48Å; L165-C251 PolarHBondContact N-O 3.06Å; C251-P289 WeakPolarHBondContact CA-O 3.38Å; C251-P289 PolarHBondContact SG-O 2.69Å; C251-P289 VanDerWaalsContact SG-O 3.35Å
252	I	98.9	Very high	98.1	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	139.1	174.1	-60.7	176.5	0	0	0	109	L165 I167 P249 V283 I288 P289 L290 L291	L165-I252 HydrophobicContact CB-CG1 4.26Å; L165-I252 HydrophobicContact CD2-CD1 4.4Å; L165-I252 HydrophobicContact CD2-CG1 4.35Å; L165-I252 CarbonylContact O-C 3.54Å; L165-I252 VanDerWaalsContact O-CA 3.29Å; L165-I252 WeakPolarHBondContact O-CA 3.25Å; I167-I252 HydrophobicContact CD1-CG2 3.97Å; I167-I252 HydrophobicContact CG1-CG2 4.34Å; P249-I252 HydrophobicContact CG-CG1 4.43Å; I252-V283 HydrophobicContact CD1-CG1 4.07Å; I252-V283 HydrophobicContact CG2-CG1 3.84Å; I252-I288 HydrophobicContact CD1-CB 4.1Å; I252-I288 HydrophobicContact CD1-CD1 4.15Å; I252-I288 HydrophobicContact CD1-CG2 4.3Å; I252-I288 HydrophobicContact CG1-CB 4.27Å; I252-I288 HydrophobicContact CG1-CG2 3.92Å; I252-P289 PolarHBondContact N-O 2.93Å; I252-L290 HydrophobicContact CB-CD1 3.84Å; I252-L290 HydrophobicContact CG2-CD1 3.67Å; I252-L290 WeakPolarHBondContact O-CA 3.32Å; I252-L291 PolarHBondContact O-N 3.25Å
253	V	99	Very high	98.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	119.7	164.7	-176.8	0	0	0	0	107.2	I150 I154 L157 V164 L165 Y166 I167 L291 L293	I150-V253 HydrophobicContact CG2-CG1 4.1Å; I154-V253 HydrophobicContact CD1-CG2 4.49Å; I154-V253 HydrophobicContact CG1-CG2 3.86Å; L157-V253 HydrophobicContact CD1-CG2 3.48Å; L157-V253 VanDerWaalsContact CD1-CG2 3.48Å; V164-V253 HydrophobicContact CG1-CG2 4.06Å; L165-V253 PolarHBondContact O-N 3.13Å; Y166-V253 CarbonylContact C-O 3.56Å; Y166-V253 WeakPolarHBondContact CA-O 3.43Å; Y166-V253 HydrophobicContact CD2-CB 4.1Å; Y166-V253 HydrophobicContact CD2-CG1 4.04Å; Y166-V253 HydrophobicContact CE2-CG1 4.37Å; I167-V253 PolarHBondContact N-O 2.89Å; V253-L291 CarbonylContact C-O 3.57Å; V253-L291 WeakPolarHBondContact CA-O 3.2Å; V253-L291 HydrophobicContact CG1-CB 4.37Å; V253-L291 HydrophobicContact CG1-CD2 4.15Å; V253-L291 HydrophobicContact CG1-CG 4.37Å; V253-L291 HydrophobicContact CG2-CB 4.17Å; V253-L291 HydrophobicContact CG2-CD2 4.24Å; V253-L293 HydrophobicContact CG1-CD1 3.9Å; V253-L293 HydrophobicContact CG1-CG 4.41Å
254	L	98.9	Very high	98.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	114.3	178.8	178.7	64.2	0	0	0	108.9	I167 V280 V283 L290 L291 V292 L293	I167-L254 HydrophobicContact CB-CD1 3.7Å; I167-L254 HydrophobicContact CG2-CD1 3.7Å; I167-L254 WeakPolarHBondContact O-CA 3.32Å; L254-V280 HydrophobicContact CD2-CB 4.36Å; L254-V280 HydrophobicContact CD2-CG1 4.5Å; L254-V280 HydrophobicContact CD2-CG2 3.95Å; L254-V283 HydrophobicContact CD1-CG2 4.44Å; L254-V283 HydrophobicContact CD2-CB 4.18Å; L254-V283 HydrophobicContact CD2-CG1 4.28Å; L254-V283 HydrophobicContact CD2-CG2 4.28Å; L254-L290 HydrophobicContact CB-CD1 3.97Å; L254-L291 PolarHBondContact N-O 3.39Å; L254-V292 WeakPolarHBondContact O-CA 3.47Å; L254-L293 PolarHBondContact O-N 2.91Å
255	Q	98.9	Very high	98.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	126.7	168.7	-170.3	-81	7.5	0	0	107.5	I150 Y166 I167 D168 I169 D170 G294	I150-Q255 HydrophobicContact CD1-CG 4.11Å; Y166-Q255 HydrophobicContact CE2-CB 3.89Å; Y166-Q255 WeakPolarHBondContact OH-CB 3.47Å; I167-Q255 PolarHBondContact O-N 3.24Å; D168-Q255 PolarHBondContact OD1-OE1 2.86Å; D168-Q255 VanDerWaalsContact OD1-OE1 3.09Å; I169-Q255 VanDerWaalsContact CG1-O 3.23Å; I169-Q255 WeakPolarHBondContact CG1-O 3.45Å; I169-Q255 PolarHBondContact N-O 2.94Å; D170-Q255 PolarHBondContact OD2-NE2 3.36Å; Q255-G294 WeakPolarHBondContact CG-O 3.47Å
256	C	98.9	Very high	98.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.115	C	C	.	.			trans	-112.7	55.7	-176.4	-62.4	0	0	0	0	111.3	W129 A258 L293 G294 W307	W129-C256 HydrophobicContact CZ3-CB 3.87Å; C256-A258 PolarHBondContact O-N 3.29Å; C256-A258 VanDerWaalsContact O-N 3.13Å; C256-L293 WeakPolarHBondContact CB-O 3.49Å; C256-L293 PolarHBondContact N-O 2.92Å; C256-G294 CarbonylContact C-O 3.54Å; C256-G294 PolarHBondContact N-O 3Å; C256-W307 PolarHBondContact O-NE1 3.45Å
257	G	98.9	Very high	98.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.111	C	C	.	.			trans	-56.5	113.7	176.4	0	0	0	0	0	111.8	D170 D259 S260 H276 G294	D170-G257 WeakPolarHBondContact OD2-CA 3.41Å; G257-D259 VanDerWaalsContact C-N 3.28Å; G257-D259 PolarHBondContact O-N 3.08Å; G257-S260 PolarHBondContact O-OG 2.89Å; G257-S260 VanDerWaalsContact O-OG 3.12Å; G257-H276 PolarHBondContact O-NE2 2.93Å; G257-H276 VanDerWaalsContact O-NE2 3.16Å; G257-G294 PolarHBondContact N-O 2.66Å
258	A	98.9	Very high	98.3	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.008	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-87.9	9.4	-171.5	0	0	0	0	0	113.5	C256 S260 L261 G296 V303 C306	C256-A258 PolarHBondContact O-N 3.29Å; C256-A258 VanDerWaalsContact O-N 3.13Å; A258-S260 VanDerWaalsContact C-N 3.3Å; A258-L261 HydrophobicContact CB-CD1 4.13Å; A258-L261 WeakPolarHBondContact O-CB 3.35Å; A258-L261 WeakPolarHBondContact O-CD1 3.42Å; A258-L261 WeakPolarHBondContact O-CG 3.39Å; A258-G296 PolarHBondContact N-O 3.4Å; A258-V303 HydrophobicContact CB-CB 4.44Å; A258-V303 HydrophobicContact CB-CG1 4.25Å; A258-V303 HydrophobicContact CB-CG2 4.09Å; A258-C306 HydrophobicContact CB-CB 4.47Å
259	D	98.7	Very high	98.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-83.3	-6	171.8	52	10.7	0	0	0	113.4	D170 I171 H172 G257 L261 G267 G296 Y298	D170-D259 VanDerWaalsContact CG-OD1 3.24Å; D170-D259 VanDerWaalsContact OD1-OD1 3.09Å; I171-D259 HydrophobicContact CG2-CB 4Å; I171-D259 VanDerWaalsContact CG2-CG 3.47Å; I171-D259 WeakPolarHBondContact CG2-OD1 3.44Å; I171-D259 PolarHBondContact N-OD1 3.02Å; H172-D259 IonicContact CE1-OD2 3.09Å; H172-D259 PolarHBondContact CE1-OD2 2.83Å; H172-D259 IonicContact ND1-OD2 3.43Å; H172-D259 PolarHBondContact ND1-OD2 3.22Å; H172-D259 VanDerWaalsContact ND1-OD2 3.09Å; G257-D259 VanDerWaalsContact C-N 3.28Å; G257-D259 PolarHBondContact O-N 3.08Å; D259-L261 PolarHBondContact O-N 3.16Å; D259-G267 WeakPolarHBondContact O-CA 3.4Å; D259-G296 WeakPolarHBondContact OD2-CA 3.39Å; D259-Y298 HydrophobicContact CB-CD2 3.8Å; D259-Y298 HydrophobicContact CB-CE2 3.7Å; D259-Y298 WeakPolarHBondContact OD2-CE2 3.19Å
260	S	98.8	Very high	98.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-75	-8.2	166	63.9	0	0	0	0	113	I169 G257 A258 F269 L271 H276	I169-S260 WeakPolarHBondContact O-CB 3.38Å; I169-S260 PolarHBondContact O-OG 2.69Å; I169-S260 VanDerWaalsContact O-OG 3.13Å; G257-S260 PolarHBondContact O-OG 2.89Å; G257-S260 VanDerWaalsContact O-OG 3.12Å; A258-S260 VanDerWaalsContact C-N 3.3Å; S260-F269 WeakPolarHBondContact O-CB 3.1Å; S260-L271 WeakPolarHBondContact O-CB 3.31Å; S260-L271 WeakPolarHBondContact O-CG 3.35Å; S260-H276 PolarHBondContact OG-CD2 2.93Å; S260-H276 PolarHBondContact OG-NE2 3.13Å; S260-H276 VanDerWaalsContact OG-NE2 3.15Å
261	L	98.8	Very high	98.4	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.01	9%	0.089	C	C	.	.	B	Isolated β-bridge	trans	-68.6	149.7	173.3	-65.9	175.7	0	0	0	112.3	A258 D259 D264 L271 I273 H276 N302 C306	A258-L261 HydrophobicContact CB-CD1 4.13Å; A258-L261 WeakPolarHBondContact O-CB 3.35Å; A258-L261 WeakPolarHBondContact O-CD1 3.42Å; A258-L261 WeakPolarHBondContact O-CG 3.39Å; D259-L261 PolarHBondContact O-N 3.16Å; L261-D264 WeakPolarHBondContact O-CB 3.5Å; L261-D264 PolarHBondContact O-N 2.96Å; L261-L271 WeakPolarHBondContact CA-O 3.41Å; L261-L271 HydrophobicContact CD2-CB 4.48Å; L261-I273 HydrophobicContact CD1-CG1 4.29Å; L261-I273 HydrophobicContact CD2-CG1 4.31Å; L261-H276 HydrophobicContact CD2-CB 3.81Å; L261-N302 HydrophobicContact CD1-CB 4.31Å; L261-C306 HydrophobicContact CD1-CB 3.76Å
262	G	98	Very high	98.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	147.9	165.8	0	0	0	0	0	112	D264 L271 V342	G262-D264 PolarHBondContact O-N 3.25Å; G262-L271 PolarHBondContact N-O 3.41Å; G262-V342 CarbonylContact C-O 3.26Å; G262-V342 VanDerWaalsContact C-O 3.26Å; G262-V342 VanDerWaalsContact CA-O 3.25Å; G262-V342 WeakPolarHBondContact CA-O 3.49Å
263	C	96.9	Very high	98.3	Very high	56 Å²	56	18.5 Å²	18.5	38%	0.378	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	22.8	-178.1	-58.8	0	0	0	0	114.6	T299 V342 T344	C263-T299 PolarHBondContact O-OG1 3.16Å; C263-V342 PolarHBondContact SG-O 3.15Å; C263-T344 VanDerWaalsContact N-CG2 3.26Å
264	D	98.3	Very high	98.3	Very high	15 Å²	15	24.5 Å²	24.5	8%	0.08	12%	0.121	C	C	.	.			trans	-63.5	153.8	164.5	-172.4	-96.9	0	0	0	111.1	L261 G262 L266 G267 Y298 T299	L261-D264 WeakPolarHBondContact O-CB 3.5Å; L261-D264 PolarHBondContact O-N 2.96Å; G262-D264 PolarHBondContact O-N 3.25Å; D264-L266 PolarHBondContact OD1-N 2.94Å; D264-G267 PolarHBondContact OD1-N 2.63Å; D264-Y298 WeakPolarHBondContact OD1-CD2 3.4Å; D264-Y298 WeakPolarHBondContact OD2-CA 3.48Å; D264-Y298 PolarHBondContact OD2-N 3.33Å; D264-T299 WeakPolarHBondContact CA-OG1 3.31Å; D264-T299 PolarHBondContact OD2-N 2.97Å; D264-T299 VanDerWaalsContact OD2-N 3.09Å
265	R	97.6	Very high	98.3	Very high	146 Å²	146	24.7 Å²	24.7	55%	0.551	12%	0.123	S	C	*	.	S	Bend	trans	-73	-30.7	-178.3	-179	178.5	174.8	-165	-6.8	112.8	G21 T299	G21-R265 PolarHBondContact O-NH2 3.18Å; R265-T299 PolarHBondContact N-OG1 2.75Å
266	L	97.6	Very high	98.3	Very high	70 Å²	70	24.7 Å²	24.7	37%	0.366	12%	0.123	S	C	.	.	S	Bend	trans	-113.4	-34.9	-179	-55.2	-173.1	0	0	0	111.8	P23 F144 D264 Y298	P23-L266 HydrophobicContact CB-CD1 4.04Å; P23-L266 HydrophobicContact CB-CD2 4.44Å; P23-L266 HydrophobicContact CB-CG 4.41Å; P23-L266 HydrophobicContact CG-CD1 3.95Å; F144-L266 HydrophobicContact CE2-CD1 3.92Å; F144-L266 HydrophobicContact CZ-CD1 4.17Å; D264-L266 PolarHBondContact OD1-N 2.94Å; L266-Y298 HydrophobicContact CB-CD2 3.72Å; L266-Y298 HydrophobicContact CB-CE2 4.1Å; L266-Y298 HydrophobicContact CB-CG 4.48Å; L266-Y298 HydrophobicContact CD1-CD1 4.14Å; L266-Y298 HydrophobicContact CD1-CD2 3.54Å; L266-Y298 HydrophobicContact CD1-CE1 4.16Å; L266-Y298 HydrophobicContact CD1-CE2 3.57Å; L266-Y298 HydrophobicContact CD1-CG 3.83Å; L266-Y298 HydrophobicContact CG-CD2 3.58Å; L266-Y298 HydrophobicContact CG-CE2 4.08Å; L266-Y298 HydrophobicContact CG-CG 3.89Å
267	G	97.4	Very high	98.3	Very high	14 Å²	14	24.7 Å²	24.7	14%	0.144	12%	0.123	C	C	.	.			trans	-72.2	151.5	-178.9	0	0	0	0	0	114.2	D259 D264	D259-G267 WeakPolarHBondContact O-CA 3.4Å; D264-G267 PolarHBondContact OD1-N 2.63Å
268	C	97.4	Very high	98.3	Very high	24 Å²	24	27.3 Å²	27.3	16%	0.162	14%	0.135	C	C	.	.			trans	-123.1	18.2	-178.6	60.6	0	0	0	0	113.7	D225 G226	D225-C268 PolarHBondContact OD1-SG 3.22Å; G226-C268 PolarHBondContact N-O 3.38Å
269	F	98.4	Very high	98.3	Very high	1 Å²	1	27.4 Å²	27.4	0%	0.004	14%	0.136	C	C	.	.			trans	-84	176.4	170.1	-79.9	4.6	0	0	0	111.6	I171 K194 L223 R224 I227 Y232 S260	I171-F269 HydrophobicContact CD1-CB 3.98Å; I171-F269 HydrophobicContact CD1-CD1 3.71Å; I171-F269 HydrophobicContact CD1-CD2 4.15Å; I171-F269 HydrophobicContact CD1-CE1 4.22Å; I171-F269 HydrophobicContact CD1-CG 3.67Å; I171-F269 HydrophobicContact CG1-CD1 3.98Å; I171-F269 HydrophobicContact CG1-CD2 3.86Å; I171-F269 HydrophobicContact CG1-CE1 4.04Å; I171-F269 HydrophobicContact CG1-CE2 3.9Å; I171-F269 HydrophobicContact CG1-CG 3.88Å; I171-F269 HydrophobicContact CG1-CZ 3.98Å; K194-F269 HydrophobicContact CB-CE1 3.85Å; K194-F269 HydrophobicContact CB-CZ 4.2Å; L223-F269 HydrophobicContact CB-CE1 4.09Å; L223-F269 HydrophobicContact CB-CZ 3.77Å; L223-F269 HydrophobicContact CD1-CE2 4.06Å; L223-F269 HydrophobicContact CD1-CZ 3.73Å; L223-F269 HydrophobicContact CG-CZ 4.37Å; R224-F269 WeakPolarHBondContact O-CE1 3.49Å; I227-F269 HydrophobicContact CG2-CB 4.12Å; I227-F269 HydrophobicContact CG2-CD1 3.71Å; I227-F269 HydrophobicContact CG2-CD2 3.61Å; I227-F269 HydrophobicContact CG2-CE1 3.96Å; I227-F269 HydrophobicContact CG2-CE2 3.89Å; I227-F269 HydrophobicContact CG2-CG 3.53Å; I227-F269 HydrophobicContact CG2-CZ 4.06Å; Y232-F269 HydrophobicContact CE2-CE2 4.21Å; S260-F269 WeakPolarHBondContact O-CB 3.1Å
270	N	98.1	Very high	98.3	Very high	28 Å²	28	27.4 Å²	27.4	15%	0.15	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-131.5	34.8	-177	-161.2	34.1	0	0	0	112.7	I227 S343 T344	I227-N270 CarbonylContact O-C 3.56Å; I227-N270 WeakPolarHBondContact O-CA 3.22Å; I227-N270 WeakPolarHBondContact O-CB 3.36Å; I227-N270 PolarHBondContact O-N 3.23Å; N270-S343 WeakPolarHBondContact OD1-CA 3.33Å; N270-T344 VanDerWaalsContact CG-OG1 3.27Å; N270-T344 PolarHBondContact OD1-N 2.96Å; N270-T344 PolarHBondContact OD1-OG1 3.29Å
271	L	98.6	Very high	98.3	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-77.8	138.3	179.4	-56.7	-177	0	0	0	111.5	I227 D229 Y232 S260 L261 G262 V342	I227-L271 HydrophobicContact CG2-CD2 4.37Å; D229-L271 VanDerWaalsContact OD1-CA 3.32Å; D229-L271 WeakPolarHBondContact OD1-CA 3.45Å; Y232-L271 HydrophobicContact CD2-CD1 3.92Å; Y232-L271 HydrophobicContact CD2-CD2 4.02Å; Y232-L271 HydrophobicContact CD2-CG 4.5Å; Y232-L271 HydrophobicContact CE2-CD1 4.04Å; Y232-L271 HydrophobicContact CG-CD1 4.18Å; Y232-L271 HydrophobicContact CG-CD2 3.92Å; S260-L271 WeakPolarHBondContact O-CB 3.31Å; S260-L271 WeakPolarHBondContact O-CG 3.35Å; L261-L271 WeakPolarHBondContact CA-O 3.41Å; L261-L271 HydrophobicContact CD2-CB 4.48Å; G262-L271 PolarHBondContact N-O 3.41Å; L271-V342 WeakPolarHBondContact O-CG2 3.4Å
272	S	98.5	Very high	98.3	Very high	28 Å²	28	34.3 Å²	34.3	20%	0.196	17%	0.168	C	C	.	.			trans	-81	163.8	165.7	80.7	0	0	0	0	111	D229 R274 G275 H276	D229-S272 PolarHBondContact OD1-N 2.82Å; D229-S272 VanDerWaalsContact OD2-CB 3.26Å; D229-S272 WeakPolarHBondContact OD2-CB 3.38Å; D229-S272 PolarHBondContact OD2-OG 3.21Å; S272-R274 PolarHBondContact O-N 2.85Å; S272-R274 PolarHBondContact OG-N 3.38Å; S272-G275 PolarHBondContact O-N 3Å; S272-G275 PolarHBondContact OG-N 3.11Å; S272-H276 WeakPolarHBondContact O-CB 3.2Å; S272-H276 PolarHBondContact O-N 3.48Å
273	I	98.8	Very high	98.3	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.015	17%	0.169	C	C	.	.	H	α-helix	trans	-57.4	-32.7	171.1	-70.7	160.8	0	0	0	111.1	L261 G277 R305 C306 F309 L338 P340	L261-I273 HydrophobicContact CD1-CG1 4.29Å; L261-I273 HydrophobicContact CD2-CG1 4.31Å; I273-G277 PolarHBondContact O-N 3.48Å; I273-R305 HydrophobicContact CD1-CB 3.56Å; I273-C306 HydrophobicContact CG1-CB 4.18Å; I273-F309 HydrophobicContact CG2-CB 3.77Å; I273-F309 HydrophobicContact CG2-CD1 3.51Å; I273-F309 HydrophobicContact CG2-CE1 4.37Å; I273-F309 HydrophobicContact CG2-CG 3.86Å; I273-L338 VanDerWaalsContact CD1-O 3.3Å; I273-L338 WeakPolarHBondContact CD1-O 3.31Å; I273-P340 HydrophobicContact CD1-CG 4.49Å
274	R	98.6	Very high	98.4	Very high	125 Å²	125	33 Å²	33	47%	0.472	16%	0.156	S	C	.	.	H	α-helix	trans	-70.3	-49.4	176.6	-61.9	-174.3	-178.4	-80.4	-2	111.1	S272 H276 G277 E278 H339	S272-R274 PolarHBondContact O-N 2.85Å; S272-R274 PolarHBondContact OG-N 3.38Å; R274-H276 VanDerWaalsContact C-N 3.28Å; R274-H276 PolarHBondContact O-N 3.09Å; R274-G277 PolarHBondContact O-N 2.96Å; R274-E278 WeakPolarHBondContact O-CG 3.35Å; R274-E278 PolarHBondContact O-N 3.27Å; R274-H339 VanDerWaalsContact CG-CD2 3.41Å; R274-H339 WeakPolarHBondContact CG-CD2 3.47Å; R274-H339 PolarHBondContact NH2-ND1 2.57Å
275	G	98.4	Very high	98.4	Very high	4 Å²	4	35.6 Å²	35.6	4%	0.041	18%	0.175	C	C	.	.	H	α-helix	trans	-59.9	-39.3	178	0	0	0	0	0	112.6	S272	S272-G275 PolarHBondContact O-N 3Å; S272-G275 PolarHBondContact OG-N 3.11Å
276	H	98.9	Very high	98.5	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-64.4	-49.4	173.1	-161.1	-84.6	0	0	0	111.5	I169 G257 S260 L261 S272 R274 E278 C279 E310	I169-H276 WeakPolarHBondContact CD1-CE1 3.42Å; I169-H276 WeakPolarHBondContact CD1-NE2 3.3Å; G257-H276 PolarHBondContact O-NE2 2.93Å; G257-H276 VanDerWaalsContact O-NE2 3.16Å; S260-H276 PolarHBondContact OG-CD2 2.93Å; S260-H276 PolarHBondContact OG-NE2 3.13Å; S260-H276 VanDerWaalsContact OG-NE2 3.15Å; L261-H276 HydrophobicContact CD2-CB 3.81Å; S272-H276 WeakPolarHBondContact O-CB 3.2Å; S272-H276 PolarHBondContact O-N 3.48Å; R274-H276 VanDerWaalsContact C-N 3.28Å; R274-H276 PolarHBondContact O-N 3.09Å; H276-E278 VanDerWaalsContact C-N 3.29Å; H276-E278 PolarHBondContact O-N 3.32Å; H276-C279 VanDerWaalsContact O-CB 3.25Å; H276-C279 WeakPolarHBondContact O-CB 3.44Å; H276-C279 PolarHBondContact O-N 2.93Å; H276-E310 IonicContact CE1-OE1 3.55Å; H276-E310 PolarHBondContact CE1-OE1 3.01Å; H276-E310 VanDerWaalsContact CE1-OE1 3.25Å; H276-E310 IonicContact CG-OE1 3.22Å; H276-E310 IonicContact ND1-OE1 2.75Å; H276-E310 PolarHBondContact ND1-OE1 3.23Å
277	G	98.8	Very high	98.5	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.8	-29.7	177.2	0	0	0	0	0	114.8	I273 R274 C279 V280 E281 L313	I273-G277 PolarHBondContact O-N 3.48Å; R274-G277 PolarHBondContact O-N 2.96Å; G277-C279 PolarHBondContact O-N 2.84Å; G277-V280 PolarHBondContact O-N 3.04Å; G277-V280 VanDerWaalsContact O-N 3.12Å; G277-E281 PolarHBondContact O-N 2.89Å; G277-L313 VanDerWaalsContact O-CD1 3.28Å; G277-L313 WeakPolarHBondContact O-CD1 3.44Å
278	E	98.8	Very high	98.6	Very high	54 Å²	54	37.1 Å²	37.1	25%	0.252	18%	0.18	S	C	.	.	H	α-helix	trans	-59.3	-28.8	173.1	-76.2	-179.2	-170.5	0	0	111.9	R233 R274 H276 F282	R233-E278 VanDerWaalsContact CD-OE2 3.23Å; R233-E278 WeakPolarHBondContact CD-OE2 3.43Å; R233-E278 IonicContact CZ-OE2 3.83Å; R233-E278 IonicContact NE-OE2 3.73Å; R233-E278 IonicContact NH1-OE1 2.63Å; R233-E278 PolarHBondContact NH1-OE1 2.99Å; R233-E278 IonicContact NH1-OE2 2.63Å; R233-E278 PolarHBondContact NH1-OE2 3.14Å; R274-E278 WeakPolarHBondContact O-CG 3.35Å; R274-E278 PolarHBondContact O-N 3.27Å; H276-E278 VanDerWaalsContact C-N 3.29Å; H276-E278 PolarHBondContact O-N 3.32Å; E278-F282 VanDerWaalsContact O-CB 3.25Å; E278-F282 WeakPolarHBondContact O-CB 3.07Å; E278-F282 PolarHBondContact O-N 3.12Å
279	C	98.9	Very high	98.6	Very high	4 Å²	4	38.1 Å²	38.1	3%	0.027	19%	0.187	C	C	.	.	H	α-helix	trans	-68.5	-46.6	174.7	-58.4	0	0	0	0	111	I169 Y232 F236 H276 G277 F282 V283	I169-C279 HydrophobicContact CD1-CB 4.06Å; Y232-C279 VanDerWaalsContact CE1-SG 3.59Å; F236-C279 HydrophobicContact CD1-CB 4.16Å; F236-C279 HydrophobicContact CE1-CB 3.67Å; F236-C279 HydrophobicContact CE2-CB 4.24Å; F236-C279 HydrophobicContact CZ-CB 3.71Å; H276-C279 VanDerWaalsContact O-CB 3.25Å; H276-C279 WeakPolarHBondContact O-CB 3.44Å; H276-C279 PolarHBondContact O-N 2.93Å; G277-C279 PolarHBondContact O-N 2.84Å; C279-F282 PolarHBondContact O-N 2.89Å; C279-V283 WeakPolarHBondContact O-CG2 3.24Å; C279-V283 PolarHBondContact O-N 3.24Å
280	V	98.9	Very high	98.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62	-46.4	176.6	179.7	0	0	0	0	111.1	L254 G277 F282 V283 K284 E310 L314	L254-V280 HydrophobicContact CD2-CB 4.36Å; L254-V280 HydrophobicContact CD2-CG1 4.5Å; L254-V280 HydrophobicContact CD2-CG2 3.95Å; G277-V280 PolarHBondContact O-N 3.04Å; G277-V280 VanDerWaalsContact O-N 3.12Å; V280-F282 VanDerWaalsContact C-N 3.33Å; V280-F282 PolarHBondContact O-N 2.99Å; V280-V283 PolarHBondContact O-N 2.92Å; V280-K284 VanDerWaalsContact O-CB 3.32Å; V280-K284 WeakPolarHBondContact O-CB 3.44Å; V280-K284 PolarHBondContact O-N 3.08Å; V280-E310 HydrophobicContact CG2-CB 4.34Å; V280-E310 HydrophobicContact CG2-CG 3.89Å; V280-E310 VanDerWaalsContact CG2-OE1 3.24Å; V280-E310 WeakPolarHBondContact CG2-OE1 3.37Å; V280-L314 HydrophobicContact CG1-CD1 4.27Å; V280-L314 HydrophobicContact CG1-CD2 3.61Å; V280-L314 HydrophobicContact CG1-CG 3.8Å
281	E	98.7	Very high	98.7	Very high	110 Å²	110	36.9 Å²	36.9	51%	0.514	18%	0.18	S	C	.	.	H	α-helix	trans	-60.5	-43.2	177.9	-174.7	176.6	-146.1	0	0	111.4	G277 K284 S285	G277-E281 PolarHBondContact O-N 2.89Å; E281-K284 PolarHBondContact O-N 3.36Å; E281-S285 PolarHBondContact O-N 2.92Å
282	F	98.9	Very high	98.7	Very high	36 Å²	36	36.9 Å²	36.9	16%	0.158	18%	0.18	C	C	.	.	H	α-helix	trans	-63.7	-45.9	178	-172.8	-107.8	0	0	0	112.2	F236 Q237 I240 K241 E278 C279 V280 S285 F286	F236-F282 HydrophobicContact CD1-CD1 4.31Å; F236-F282 HydrophobicContact CE1-CB 4.47Å; F236-F282 HydrophobicContact CE1-CD1 4.03Å; Q237-F282 HydrophobicContact CB-CD1 4.25Å; Q237-F282 HydrophobicContact CB-CD2 4.23Å; Q237-F282 HydrophobicContact CB-CE1 3.93Å; Q237-F282 HydrophobicContact CB-CE2 3.92Å; Q237-F282 HydrophobicContact CB-CG 4.38Å; Q237-F282 HydrophobicContact CB-CZ 3.75Å; Q237-F282 HydrophobicContact CG-CB 4.35Å; Q237-F282 HydrophobicContact CG-CD1 3.98Å; Q237-F282 HydrophobicContact CG-CD2 3.76Å; Q237-F282 HydrophobicContact CG-CE1 4.18Å; Q237-F282 HydrophobicContact CG-CE2 3.97Å; Q237-F282 HydrophobicContact CG-CG 3.76Å; Q237-F282 HydrophobicContact CG-CZ 4.17Å; Q237-F282 WeakPolarHBondContact O-CE1 3.45Å; Q237-F282 WeakPolarHBondContact O-CZ 3.45Å; I240-F282 HydrophobicContact CB-CD1 4.4Å; I240-F282 HydrophobicContact CB-CE1 4.02Å; I240-F282 HydrophobicContact CG2-CD1 4.25Å; I240-F282 HydrophobicContact CG2-CE1 4.03Å; K241-F282 HydrophobicContact CB-CZ 4.15Å; E278-F282 VanDerWaalsContact O-CB 3.25Å; E278-F282 WeakPolarHBondContact O-CB 3.07Å; E278-F282 PolarHBondContact O-N 3.12Å; C279-F282 PolarHBondContact O-N 2.89Å; V280-F282 VanDerWaalsContact C-N 3.33Å; V280-F282 PolarHBondContact O-N 2.99Å; F282-S285 WeakPolarHBondContact O-CB 3.49Å; F282-S285 PolarHBondContact O-N 3.04Å; F282-S285 PolarHBondContact O-OG 3.22Å; F282-F286 AromaticContact CD1-CE2 3.88Å; F282-F286 HydrophobicContact CD1-CE2 3.88Å; F282-F286 HydrophobicContact CD1-CZ 4.25Å; F282-F286 AromaticContact CE1-CE2 3.64Å; F282-F286 HydrophobicContact CE1-CE2 3.64Å; F282-F286 AromaticContact CE1-CZ 3.56Å; F282-F286 HydrophobicContact CE1-CZ 3.56Å; F282-F286 HydrophobicContact CZ-CE2 4.2Å; F282-F286 AromaticContact CZ-CZ 3.75Å; F282-F286 HydrophobicContact CZ-CZ 3.75Å; F282-F286 WeakPolarHBondContact O-CD2 3.23Å; F282-F286 WeakPolarHBondContact O-CE2 3.37Å
283	V	98.9	Very high	98.7	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.018	17%	0.171	C	C	.	.	H	α-helix	trans	-63	-43.9	177	172.4	0	0	0	0	111	I167 F236 I252 L254 C279 V280 S285 F286 L290	I167-V283 HydrophobicContact CD1-CG1 4.25Å; I167-V283 HydrophobicContact CD1-CG2 3.66Å; F236-V283 HydrophobicContact CE1-CG2 4.25Å; F236-V283 HydrophobicContact CZ-CG2 3.97Å; I252-V283 HydrophobicContact CD1-CG1 4.07Å; I252-V283 HydrophobicContact CG2-CG1 3.84Å; L254-V283 HydrophobicContact CD1-CG2 4.44Å; L254-V283 HydrophobicContact CD2-CB 4.18Å; L254-V283 HydrophobicContact CD2-CG1 4.28Å; L254-V283 HydrophobicContact CD2-CG2 4.28Å; C279-V283 WeakPolarHBondContact O-CG2 3.24Å; C279-V283 PolarHBondContact O-N 3.24Å; V280-V283 PolarHBondContact O-N 2.92Å; V283-S285 PolarHBondContact O-N 3.13Å; V283-F286 WeakPolarHBondContact O-CD2 3.22Å; V283-F286 PolarHBondContact O-N 3.15Å; V283-L290 HydrophobicContact CG1-CD1 3.81Å; V283-L290 HydrophobicContact CG1-CD2 4.32Å
284	K	98.5	Very high	98.7	Very high	26 Å²	26	35.4 Å²	35.4	11%	0.113	17%	0.17	C	C	.	.	H	α-helix	trans	-59.7	-31.9	175.7	173	169.3	166.3	-73.9	0	112.5	I125 V280 E281 F286 K287 L290 L314 E316	I125-K284 HydrophobicContact CD1-CD 3.95Å; I125-K284 HydrophobicContact CD1-CG 4.36Å; V280-K284 VanDerWaalsContact O-CB 3.32Å; V280-K284 WeakPolarHBondContact O-CB 3.44Å; V280-K284 PolarHBondContact O-N 3.08Å; E281-K284 PolarHBondContact O-N 3.36Å; K284-F286 PolarHBondContact O-N 3.16Å; K284-F286 VanDerWaalsContact O-N 3.17Å; K284-K287 PolarHBondContact O-N 2.79Å; K284-K287 VanDerWaalsContact O-N 3.08Å; K284-L290 HydrophobicContact CB-CD2 4.45Å; K284-L314 HydrophobicContact CD-CD2 4.11Å; K284-L314 VanDerWaalsContact CE-O 3.23Å; K284-L314 WeakPolarHBondContact CE-O 3.47Å; K284-E316 VanDerWaalsContact NZ-CD 3.33Å; K284-E316 IonicContact NZ-OE1 3.74Å; K284-E316 PolarHBondContact NZ-OE1 3.11Å
285	S	98.5	Very high	98.7	Very high	69 Å²	69	29.6 Å²	29.6	48%	0.483	15%	0.149	S	C	.	.	H	α-helix	trans	-62	-22.3	-178.4	83.4	0	0	0	0	114.3	E281 F282 V283 K287	E281-S285 PolarHBondContact O-N 2.92Å; F282-S285 WeakPolarHBondContact O-CB 3.49Å; F282-S285 PolarHBondContact O-N 3.04Å; F282-S285 PolarHBondContact O-OG 3.22Å; V283-S285 PolarHBondContact O-N 3.13Å; S285-K287 PolarHBondContact O-N 3.36Å
286	F	98.6	Very high	98.7	Very high	48 Å²	48	29.6 Å²	29.6	21%	0.211	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-15.6	176.4	-64.7	-71.7	0	0	0	113.7	I240 V244 F282 V283 K284 I288	I240-F286 HydrophobicContact CG2-CE2 3.78Å; I240-F286 HydrophobicContact CG2-CZ 4.23Å; V244-F286 HydrophobicContact CB-CD1 4.21Å; V244-F286 HydrophobicContact CB-CE1 4.01Å; V244-F286 HydrophobicContact CB-CZ 4.35Å; V244-F286 HydrophobicContact CG1-CD1 3.77Å; V244-F286 HydrophobicContact CG1-CE1 4.02Å; V244-F286 HydrophobicContact CG1-CG 4.3Å; V244-F286 HydrophobicContact CG2-CD1 4.22Å; V244-F286 HydrophobicContact CG2-CD2 4.16Å; V244-F286 HydrophobicContact CG2-CE1 4.11Å; V244-F286 HydrophobicContact CG2-CE2 4.1Å; V244-F286 HydrophobicContact CG2-CG 4.24Å; V244-F286 HydrophobicContact CG2-CZ 4.06Å; F282-F286 AromaticContact CD1-CE2 3.88Å; F282-F286 HydrophobicContact CD1-CE2 3.88Å; F282-F286 HydrophobicContact CD1-CZ 4.25Å; F282-F286 AromaticContact CE1-CE2 3.64Å; F282-F286 HydrophobicContact CE1-CE2 3.64Å; F282-F286 AromaticContact CE1-CZ 3.56Å; F282-F286 HydrophobicContact CE1-CZ 3.56Å; F282-F286 HydrophobicContact CZ-CE2 4.2Å; F282-F286 AromaticContact CZ-CZ 3.75Å; F282-F286 HydrophobicContact CZ-CZ 3.75Å; F282-F286 WeakPolarHBondContact O-CD2 3.23Å; F282-F286 WeakPolarHBondContact O-CE2 3.37Å; V283-F286 WeakPolarHBondContact O-CD2 3.22Å; V283-F286 PolarHBondContact O-N 3.15Å; K284-F286 PolarHBondContact O-N 3.16Å; K284-F286 VanDerWaalsContact O-N 3.17Å; F286-I288 HydrophobicContact CB-CD1 4.11Å; F286-I288 HydrophobicContact CB-CG1 4.28Å; F286-I288 PolarHBondContact O-N 2.87Å
287	K	98.1	Very high	98.7	Very high	178 Å²	178	29.6 Å²	29.6	77%	0.774	15%	0.15	S	C	*	.			trans	56	37.2	178.7	-55.3	177.9	-177.2	177.7	0	113.7	K284 S285	K284-K287 PolarHBondContact O-N 2.79Å; K284-K287 VanDerWaalsContact O-N 3.08Å; S285-K287 PolarHBondContact O-N 3.36Å
288	I	98.6	Very high	98.7	Very high	36 Å²	36	30.4 Å²	30.4	19%	0.185	15%	0.153	C	C	.	.			trans	-98.4	143.2	172.2	-64.1	170.7	0	0	0	107.4	V244 P249 I252 F286 L290	V244-I288 HydrophobicContact CG1-CD1 4.19Å; P249-I288 HydrophobicContact CG-CD1 4.11Å; I252-I288 HydrophobicContact CD1-CB 4.1Å; I252-I288 HydrophobicContact CD1-CD1 4.15Å; I252-I288 HydrophobicContact CD1-CG2 4.3Å; I252-I288 HydrophobicContact CG1-CB 4.27Å; I252-I288 HydrophobicContact CG1-CG2 3.92Å; F286-I288 HydrophobicContact CB-CD1 4.11Å; F286-I288 HydrophobicContact CB-CG1 4.28Å; F286-I288 PolarHBondContact O-N 2.87Å; I288-L290 PolarHBondContact O-N 3.27Å
289	P	98.8	Very high	98.7	Very high	46 Å²	46	28.7 Å²	28.7	30%	0.299	15%	0.146	S	C	.	.			trans	-45.3	128	173.5	-30.2	35.7	0	0	0	111.4	L118 D124 T250 C251 I252	L118-P289 HydrophobicContact CD2-CB 4.13Å; D124-P289 WeakPolarHBondContact O-CA 3.35Å; T250-P289 WeakPolarHBondContact O-CD 3.42Å; C251-P289 WeakPolarHBondContact CA-O 3.38Å; C251-P289 PolarHBondContact SG-O 2.69Å; C251-P289 VanDerWaalsContact SG-O 3.35Å; I252-P289 PolarHBondContact N-O 2.93Å
290	L	98.9	Very high	98.7	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.016	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	117.5	-166.5	178.9	62.7	0	0	0	111.6	D124 I125 A126 I252 L254 V283 K284 I288 V292 L314	D124-L290 PolarHBondContact O-N 3.44Å; I125-L290 CarbonylContact C-O 3.41Å; I125-L290 VanDerWaalsContact CA-O 3.28Å; I125-L290 WeakPolarHBondContact CA-O 3.3Å; I125-L290 HydrophobicContact CG1-CB 4.38Å; A126-L290 PolarHBondContact N-O 3.33Å; I252-L290 HydrophobicContact CB-CD1 3.84Å; I252-L290 HydrophobicContact CG2-CD1 3.67Å; I252-L290 WeakPolarHBondContact O-CA 3.32Å; L254-L290 HydrophobicContact CB-CD1 3.97Å; V283-L290 HydrophobicContact CG1-CD1 3.81Å; V283-L290 HydrophobicContact CG1-CD2 4.32Å; K284-L290 HydrophobicContact CB-CD2 4.45Å; I288-L290 PolarHBondContact O-N 3.27Å; L290-V292 HydrophobicContact CD1-CG2 4.33Å; L290-V292 HydrophobicContact CD2-CG2 3.76Å; L290-V292 HydrophobicContact CG-CG2 3.67Å; L290-L314 HydrophobicContact CD2-CD2 4Å
291	L	98.9	Very high	98.6	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	121.7	164.5	-178.5	61.5	0	0	0	108.6	L118 A126 I252 V253 L254 L293	L118-L291 HydrophobicContact CD1-CB 3.73Å; A126-L291 HydrophobicContact CB-CD1 3.75Å; A126-L291 CarbonylContact O-C 3.59Å; A126-L291 WeakPolarHBondContact O-CA 3.2Å; I252-L291 PolarHBondContact O-N 3.25Å; V253-L291 CarbonylContact C-O 3.57Å; V253-L291 WeakPolarHBondContact CA-O 3.2Å; V253-L291 HydrophobicContact CG1-CB 4.37Å; V253-L291 HydrophobicContact CG1-CD2 4.15Å; V253-L291 HydrophobicContact CG1-CG 4.37Å; V253-L291 HydrophobicContact CG2-CB 4.17Å; V253-L291 HydrophobicContact CG2-CD2 4.24Å; L254-L291 PolarHBondContact N-O 3.39Å; L291-L293 HydrophobicContact CD1-CD2 4.04Å; L291-L293 HydrophobicContact CD2-CD1 4.41Å; L291-L293 HydrophobicContact CD2-CD2 4.2Å; L291-L293 HydrophobicContact CD2-CG 4.44Å; L291-L293 HydrophobicContact CG-CD2 3.91Å; L291-L293 HydrophobicContact CG-CG 4.13Å
292	V	98.9	Very high	98.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124.8	177.6	-172.6	0	0	0	0	108.9	I125 A126 I127 N128 W129 L254 L290 L314	I125-V292 HydrophobicContact CG2-CG2 4.2Å; A126-V292 PolarHBondContact O-N 2.83Å; I127-V292 WeakPolarHBondContact CA-O 3.35Å; I127-V292 HydrophobicContact CG1-CB 4.43Å; N128-V292 PolarHBondContact N-O 3.33Å; W129-V292 HydrophobicContact CH2-CG1 3.54Å; W129-V292 HydrophobicContact CZ2-CG1 4.45Å; W129-V292 HydrophobicContact CZ3-CG1 3.64Å; L254-V292 WeakPolarHBondContact O-CA 3.47Å; L290-V292 HydrophobicContact CD1-CG2 4.33Å; L290-V292 HydrophobicContact CD2-CG2 3.76Å; L290-V292 HydrophobicContact CG-CG2 3.67Å; V292-L314 HydrophobicContact CB-CD1 4.24Å; V292-L314 HydrophobicContact CG1-CD1 4.11Å; V292-L314 HydrophobicContact CG2-CD1 3.86Å; V292-L314 HydrophobicContact CG2-CD2 3.91Å
293	L	99	Very high	98.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	161.7	-177.7	-58.2	-179.4	0	0	0	111	S111 N128 W129 I150 V253 L254 C256 L291	S111-L293 WeakPolarHBondContact OG-CD2 3.37Å; N128-L293 HydrophobicContact CB-CD2 3.96Å; N128-L293 WeakPolarHBondContact O-CA 3.39Å; W129-L293 WeakPolarHBondContact CZ3-O 3.3Å; I150-L293 HydrophobicContact CB-CD1 4.32Å; I150-L293 HydrophobicContact CD1-CD1 4.42Å; I150-L293 HydrophobicContact CG1-CD1 3.76Å; I150-L293 HydrophobicContact CG2-CD1 4.28Å; V253-L293 HydrophobicContact CG1-CD1 3.9Å; V253-L293 HydrophobicContact CG1-CG 4.41Å; L254-L293 PolarHBondContact O-N 2.91Å; C256-L293 WeakPolarHBondContact CB-O 3.49Å; C256-L293 PolarHBondContact N-O 2.92Å; L291-L293 HydrophobicContact CD1-CD2 4.04Å; L291-L293 HydrophobicContact CD2-CD1 4.41Å; L291-L293 HydrophobicContact CD2-CD2 4.2Å; L291-L293 HydrophobicContact CD2-CG 4.44Å; L291-L293 HydrophobicContact CG-CD2 3.91Å; L291-L293 HydrophobicContact CG-CG 4.13Å
294	G	98.9	Very high	98.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.141	C	C	.	.			trans	-73.5	-127.8	170.8	0	0	0	0	0	112.1	N128 G131 Q255 C256 G257 W307	N128-G294 PolarHBondContact O-N 3.23Å; G131-G294 CarbonylContact O-C 3.55Å; G131-G294 WeakPolarHBondContact O-CA 3.48Å; G131-G294 PolarHBondContact O-N 2.85Å; Q255-G294 WeakPolarHBondContact CG-O 3.47Å; C256-G294 CarbonylContact C-O 3.54Å; C256-G294 PolarHBondContact N-O 3Å; G257-G294 PolarHBondContact N-O 2.66Å; G294-W307 VanDerWaalsContact CA-CZ2 3.42Å
295	G	98.8	Very high	98.7	Very high	3 Å²	3	27 Å²	27	3%	0.031	14%	0.136	C	C	.	.			trans	142.3	-153.3	-172.7	0	0	0	0	0	113.5	R28 G131	R28-G295 PolarHBondContact NH1-O 3.32Å; R28-G295 PolarHBondContact NH2-O 2.79Å; G131-G295 PolarHBondContact O-N 3.16Å
296	G	98.2	Very high	98.7	Very high	5 Å²	5	23.8 Å²	23.8	5%	0.052	11%	0.113	C	C	.	.			trans	-60.7	179.6	169.9	0	0	0	0	0	113.8	R28 D170 A258 D259	R28-G296 PolarHBondContact NH1-O 2.98Å; D170-G296 WeakPolarHBondContact OD2-CA 3.37Å; D170-G296 PolarHBondContact OD2-N 2.8Å; A258-G296 PolarHBondContact N-O 3.4Å; D259-G296 WeakPolarHBondContact OD2-CA 3.39Å
297	G	98.5	Very high	98.7	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.01	10%	0.103	C	C	.	.			trans	130	111	-177.9	0	0	0	0	0	112	V303	G297-V303 VanDerWaalsContact C-CG2 3.47Å; G297-V303 WeakPolarHBondContact O-CG2 3.25Å
298	Y	98.6	Very high	98.7	Very high	17 Å²	17	13 Å²	13	7%	0.067	7%	0.066	C	C	.	.			trans	-124.3	-8	-163.7	-51	-69.8	0	0	0	113.2	P23 M24 F144 D259 D264 L266 V300	P23-Y298 HydrophobicContact CB-CD1 3.92Å; P23-Y298 HydrophobicContact CB-CG 4.33Å; M24-Y298 HydrophobicContact CE-CE1 4.12Å; F144-Y298 AromaticContact CD2-CE1 3.78Å; F144-Y298 HydrophobicContact CD2-CE1 3.78Å; F144-Y298 AromaticContact CD2-CZ 3.99Å; F144-Y298 AromaticContact CE2-CE1 3.64Å; F144-Y298 HydrophobicContact CE2-CE1 3.64Å; F144-Y298 AromaticContact CE2-CZ 3.76Å; D259-Y298 HydrophobicContact CB-CD2 3.8Å; D259-Y298 HydrophobicContact CB-CE2 3.7Å; D259-Y298 WeakPolarHBondContact OD2-CE2 3.19Å; D264-Y298 WeakPolarHBondContact OD1-CD2 3.4Å; D264-Y298 WeakPolarHBondContact OD2-CA 3.48Å; D264-Y298 PolarHBondContact OD2-N 3.33Å; L266-Y298 HydrophobicContact CB-CD2 3.72Å; L266-Y298 HydrophobicContact CB-CE2 4.1Å; L266-Y298 HydrophobicContact CB-CG 4.48Å; L266-Y298 HydrophobicContact CD1-CD1 4.14Å; L266-Y298 HydrophobicContact CD1-CD2 3.54Å; L266-Y298 HydrophobicContact CD1-CE1 4.16Å; L266-Y298 HydrophobicContact CD1-CE2 3.57Å; L266-Y298 HydrophobicContact CD1-CG 3.83Å; L266-Y298 HydrophobicContact CG-CD2 3.58Å; L266-Y298 HydrophobicContact CG-CE2 4.08Å; L266-Y298 HydrophobicContact CG-CG 3.89Å; Y298-V300 PolarHBondContact O-N 3.31Å
299	T	98.5	Very high	98.8	Very high	17 Å²	17	12.4 Å²	12.4	10%	0.104	6%	0.062	C	C	.	.	S	Bend	trans	-91.3	83.9	158.6	-64.4	0	0	0	0	109.8	C263 D264 R265 R301 N302 V303	C263-T299 PolarHBondContact O-OG1 3.16Å; D264-T299 WeakPolarHBondContact CA-OG1 3.31Å; D264-T299 PolarHBondContact OD2-N 2.97Å; D264-T299 VanDerWaalsContact OD2-N 3.09Å; R265-T299 PolarHBondContact N-OG1 2.75Å; T299-R301 VanDerWaalsContact C-N 3.29Å; T299-R301 HydrophobicContact CG2-CG 4.07Å; T299-R301 PolarHBondContact O-N 2.92Å; T299-N302 HydrophobicContact CG2-CB 4.1Å; T299-N302 WeakPolarHBondContact O-CB 3.35Å; T299-N302 PolarHBondContact O-N 3.44Å; T299-V303 PolarHBondContact O-N 2.62Å
300	V	98.5	Very high	98.8	Very high	30 Å²	30	10.2 Å²	10.2	18%	0.182	5%	0.048	C	C	.	.	H	α-helix	trans	-42.1	-46.9	-171.3	176.8	0	0	0	0	114.5	K25 R28 L31 Y298 N302 V303 A304	K25-V300 HydrophobicContact CB-CG2 3.98Å; K25-V300 HydrophobicContact CG-CG2 4.22Å; R28-V300 HydrophobicContact CB-CB 4.49Å; R28-V300 HydrophobicContact CB-CG1 3.83Å; L31-V300 HydrophobicContact CD2-CG1 3.97Å; Y298-V300 PolarHBondContact O-N 3.31Å; V300-N302 VanDerWaalsContact C-N 3.3Å; V300-N302 PolarHBondContact O-N 2.92Å; V300-V303 PolarHBondContact O-N 3.44Å; V300-A304 PolarHBondContact O-N 3.15Å; V300-A304 VanDerWaalsContact O-N 3.11Å
301	R	98.3	Very high	98.8	Very high	107 Å²	107	10 Å²	10	40%	0.404	5%	0.047	S	C	.	.	H	α-helix	trans	-61.9	-36.1	180	66.7	178.4	-176.8	-82.9	-7	112.9	T299 R305 F332	T299-R301 VanDerWaalsContact C-N 3.29Å; T299-R301 HydrophobicContact CG2-CG 4.07Å; T299-R301 PolarHBondContact O-N 2.92Å; R301-R305 WeakPolarHBondContact O-CD 3.46Å; R301-R305 VanDerWaalsContact O-CG 3.27Å; R301-R305 WeakPolarHBondContact O-CG 3.48Å; R301-R305 PolarHBondContact O-N 2.89Å; R301-F332 HydrophobicContact CB-CD1 4.06Å; R301-F332 HydrophobicContact CB-CE1 4.21Å; R301-F332 WeakPolarHBondContact O-CE1 3.41Å
302	N	98.6	Very high	98.8	Very high	6 Å²	6	10.2 Å²	10.2	3%	0.032	5%	0.048	C	C	.	.	H	α-helix	trans	-78	-35.1	180	-70.3	-4	0	0	0	111	L261 T299 V300 A304 R305 C306 V342	L261-N302 HydrophobicContact CD1-CB 4.31Å; T299-N302 HydrophobicContact CG2-CB 4.1Å; T299-N302 WeakPolarHBondContact O-CB 3.35Å; T299-N302 PolarHBondContact O-N 3.44Å; V300-N302 VanDerWaalsContact C-N 3.3Å; V300-N302 PolarHBondContact O-N 2.92Å; N302-A304 PolarHBondContact O-N 3Å; N302-R305 PolarHBondContact O-N 3.48Å; N302-R305 PolarHBondContact OD1-NH1 2.89Å; N302-C306 VanDerWaalsContact O-CB 3.31Å; N302-C306 WeakPolarHBondContact O-CB 3.5Å; N302-C306 PolarHBondContact O-N 3.28Å; N302-V342 WeakPolarHBondContact ND2-CG1 3.37Å
303	V	98.9	Very high	98.7	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.006	6%	0.056	C	C	.	.	H	α-helix	trans	-58.2	-49.5	172.5	-179.8	0	0	0	0	110.7	R28 A258 G297 T299 V300 R305 C306 W307	R28-V303 HydrophobicContact CB-CB 4.46Å; R28-V303 HydrophobicContact CB-CG1 4.3Å; R28-V303 HydrophobicContact CG-CG1 4.18Å; A258-V303 HydrophobicContact CB-CB 4.44Å; A258-V303 HydrophobicContact CB-CG1 4.25Å; A258-V303 HydrophobicContact CB-CG2 4.09Å; G297-V303 VanDerWaalsContact C-CG2 3.47Å; G297-V303 WeakPolarHBondContact O-CG2 3.25Å; T299-V303 PolarHBondContact O-N 2.62Å; V300-V303 PolarHBondContact O-N 3.44Å; V303-R305 VanDerWaalsContact C-N 3.31Å; V303-R305 PolarHBondContact O-N 3Å; V303-C306 PolarHBondContact O-N 2.98Å; V303-W307 HydrophobicContact CG1-CD2 3.63Å; V303-W307 HydrophobicContact CG1-CE3 3.39Å; V303-W307 HydrophobicContact CG1-CG 4.49Å; V303-W307 HydrophobicContact CG1-CH2 3.78Å; V303-W307 HydrophobicContact CG1-CZ2 3.9Å; V303-W307 HydrophobicContact CG1-CZ3 3.46Å; V303-W307 VanDerWaalsContact CG1-CZ3 3.46Å; V303-W307 PolarHBondContact O-N 3.44Å
304	A	98.9	Very high	98.7	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-61.1	-40.1	-179.9	0	0	0	0	0	112.4	L31 T32 L35 V300 N302 T308 F332	L31-A304 HydrophobicContact CB-CB 3.66Å; T32-A304 WeakPolarHBondContact OG1-CA 3.47Å; L35-A304 HydrophobicContact CD1-CB 4.19Å; V300-A304 PolarHBondContact O-N 3.15Å; V300-A304 VanDerWaalsContact O-N 3.11Å; N302-A304 PolarHBondContact O-N 3Å; A304-T308 WeakPolarHBondContact O-CB 3.31Å; A304-T308 PolarHBondContact O-N 3.19Å; A304-T308 VanDerWaalsContact O-N 3.16Å; A304-T308 PolarHBondContact O-OG1 2.87Å; A304-F332 HydrophobicContact CB-CE1 4.11Å; A304-F332 HydrophobicContact CB-CZ 4.12Å
305	R	98.9	Very high	98.7	Very high	1 Å²	1	12.6 Å²	12.6	0%	0.004	6%	0.061	C	C	.	.	H	α-helix	trans	-64.2	-47.9	174.1	-70.2	163.6	164.1	156.3	-6.9	111.9	I273 R301 N302 V303 T308 F309 F332 D335 T337 L338	I273-R305 HydrophobicContact CD1-CB 3.56Å; R301-R305 WeakPolarHBondContact O-CD 3.46Å; R301-R305 VanDerWaalsContact O-CG 3.27Å; R301-R305 WeakPolarHBondContact O-CG 3.48Å; R301-R305 PolarHBondContact O-N 2.89Å; N302-R305 PolarHBondContact O-N 3.48Å; N302-R305 PolarHBondContact OD1-NH1 2.89Å; V303-R305 VanDerWaalsContact C-N 3.31Å; V303-R305 PolarHBondContact O-N 3Å; R305-T308 PolarHBondContact O-N 2.93Å; R305-F309 WeakPolarHBondContact O-CB 3.41Å; R305-F309 PolarHBondContact O-N 3.34Å; R305-F332 HydrophobicContact CG-CD1 4.2Å; R305-F332 HydrophobicContact CG-CE1 4.15Å; R305-F332 PolarHBondContact NH2-O 3.38Å; R305-D335 IonicContact CZ-OD2 3.78Å; R305-D335 IonicContact NH2-OD1 3.69Å; R305-D335 IonicContact NH2-OD2 2.68Å; R305-D335 PolarHBondContact NH2-OD2 3.46Å; R305-T337 VanDerWaalsContact CZ-O 3.26Å; R305-T337 PolarHBondContact NE-O 3.38Å; R305-T337 PolarHBondContact NH2-O 3.45Å; R305-L338 HydrophobicContact CB-CD1 4.09Å; R305-L338 WeakPolarHBondContact CB-O 3.35Å; R305-L338 HydrophobicContact CG-CD1 4.36Å
306	C	98.9	Very high	98.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-58.2	-58.7	-177.9	-169	0	0	0	0	111.6	A258 L261 I273 N302 V303 T308 F309 E310	A258-C306 HydrophobicContact CB-CB 4.47Å; L261-C306 HydrophobicContact CD1-CB 3.76Å; I273-C306 HydrophobicContact CG1-CB 4.18Å; N302-C306 VanDerWaalsContact O-CB 3.31Å; N302-C306 WeakPolarHBondContact O-CB 3.5Å; N302-C306 PolarHBondContact O-N 3.28Å; V303-C306 PolarHBondContact O-N 2.98Å; C306-T308 VanDerWaalsContact C-N 3.28Å; C306-T308 PolarHBondContact O-N 3.3Å; C306-F309 WeakPolarHBondContact O-CB 3.42Å; C306-F309 PolarHBondContact O-N 3.02Å; C306-F309 VanDerWaalsContact O-N 3.08Å; C306-E310 WeakPolarHBondContact O-CG 3.36Å; C306-E310 PolarHBondContact O-N 3.19Å
307	W	98.9	Very high	98.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-67.3	-28.4	-177.6	-66.4	-19.9	0	0	0	113.2	R28 L29 T32 W129 C256 G294 V303 T311	R28-W307 HydrophobicContact CG-CZ3 4.24Å; L29-W307 HydrophobicContact CD2-CH2 4.33Å; L29-W307 HydrophobicContact CD2-CZ3 3.64Å; T32-W307 HydrophobicContact CG2-CB 3.61Å; T32-W307 HydrophobicContact CG2-CE3 4.34Å; W129-W307 HydrophobicContact CB-CD2 4.35Å; W129-W307 HydrophobicContact CB-CE3 3.88Å; W129-W307 HydrophobicContact CB-CZ3 4.06Å; W129-W307 HydrophobicContact CD2-CB 3.81Å; W129-W307 HydrophobicContact CD2-CD2 4.07Å; W129-W307 HydrophobicContact CD2-CE3 4.44Å; W129-W307 AromaticContact CD2-CG 3.82Å; W129-W307 HydrophobicContact CD2-CG 3.82Å; W129-W307 HydrophobicContact CE3-CB 4.18Å; W129-W307 AromaticContact CE3-CD1 3.76Å; W129-W307 AromaticContact CE3-CD2 3.91Å; W129-W307 HydrophobicContact CE3-CD2 3.91Å; W129-W307 AromaticContact CE3-CG 3.72Å; W129-W307 HydrophobicContact CE3-CG 3.72Å; W129-W307 AromaticContact CE3-NE1 3.97Å; W129-W307 HydrophobicContact CG-CB 4.2Å; W129-W307 HydrophobicContact CG-CD2 4.28Å; W129-W307 HydrophobicContact CG-CE3 4.16Å; W129-W307 HydrophobicContact CG-CG 4.35Å; W129-W307 HydrophobicContact CH2-CB 4.37Å; W129-W307 HydrophobicContact CH2-CG 4.35Å; W129-W307 HydrophobicContact CZ2-CB 4.02Å; W129-W307 HydrophobicContact CZ2-CG 4.44Å; W129-W307 WeakPolarHBondContact CZ2-O 3.48Å; W129-W307 HydrophobicContact CZ3-CB 4.45Å; W129-W307 AromaticContact CZ3-CD1 3.65Å; W129-W307 HydrophobicContact CZ3-CG 4.02Å; W129-W307 WeakPolarHBondContact O-CH2 3.38Å; C256-W307 PolarHBondContact O-NE1 3.45Å; G294-W307 VanDerWaalsContact CA-CZ2 3.42Å; V303-W307 HydrophobicContact CG1-CD2 3.63Å; V303-W307 HydrophobicContact CG1-CE3 3.39Å; V303-W307 HydrophobicContact CG1-CG 4.49Å; V303-W307 HydrophobicContact CG1-CH2 3.78Å; V303-W307 HydrophobicContact CG1-CZ2 3.9Å; V303-W307 HydrophobicContact CG1-CZ3 3.46Å; V303-W307 VanDerWaalsContact CG1-CZ3 3.46Å; V303-W307 PolarHBondContact O-N 3.44Å; W307-T311 WeakPolarHBondContact O-CB 3.14Å; W307-T311 PolarHBondContact O-N 2.92Å; W307-T311 PolarHBondContact O-OG1 3.12Å
308	T	98.9	Very high	98.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.5	-46.5	170.5	-61.9	0	0	0	0	111.2	L35 V36 Y39 L41 A304 R305 C306 T311 S312 I319 L338	L35-T308 HydrophobicContact CB-CG2 3.92Å; L35-T308 VanDerWaalsContact CB-OG1 3.32Å; L35-T308 WeakPolarHBondContact CB-OG1 3.45Å; V36-T308 HydrophobicContact CG2-CG2 4.28Å; Y39-T308 HydrophobicContact CD2-CG2 3.67Å; Y39-T308 HydrophobicContact CE2-CG2 3.97Å; L41-T308 HydrophobicContact CD1-CG2 4.4Å; A304-T308 WeakPolarHBondContact O-CB 3.31Å; A304-T308 PolarHBondContact O-N 3.19Å; A304-T308 VanDerWaalsContact O-N 3.16Å; A304-T308 PolarHBondContact O-OG1 2.87Å; R305-T308 PolarHBondContact O-N 2.93Å; C306-T308 VanDerWaalsContact C-N 3.28Å; C306-T308 PolarHBondContact O-N 3.3Å; T308-T311 WeakPolarHBondContact O-CB 3.17Å; T308-T311 PolarHBondContact O-N 3.32Å; T308-S312 PolarHBondContact O-N 2.96Å; T308-S312 VanDerWaalsContact O-N 3.11Å; T308-I319 HydrophobicContact CG2-CD1 4.35Å; T308-L338 HydrophobicContact CG2-CD1 4.48Å
309	F	98.9	Very high	98.5	Very high	23 Å²	23	27.4 Å²	27.4	10%	0.101	14%	0.141	C	C	.	.	H	α-helix	trans	-62.6	-46.5	177.2	177.8	-116.8	0	0	0	111.4	I273 R305 C306 T311 S312 L313 L338 H339	I273-F309 HydrophobicContact CG2-CB 3.77Å; I273-F309 HydrophobicContact CG2-CD1 3.51Å; I273-F309 HydrophobicContact CG2-CE1 4.37Å; I273-F309 HydrophobicContact CG2-CG 3.86Å; R305-F309 WeakPolarHBondContact O-CB 3.41Å; R305-F309 PolarHBondContact O-N 3.34Å; C306-F309 WeakPolarHBondContact O-CB 3.42Å; C306-F309 PolarHBondContact O-N 3.02Å; C306-F309 VanDerWaalsContact O-N 3.08Å; F309-T311 VanDerWaalsContact C-N 3.3Å; F309-T311 PolarHBondContact O-N 3.02Å; F309-S312 WeakPolarHBondContact O-CA 3.44Å; F309-S312 VanDerWaalsContact O-CB 3.32Å; F309-S312 WeakPolarHBondContact O-CB 3.34Å; F309-S312 PolarHBondContact O-N 3.49Å; F309-S312 PolarHBondContact O-OG 3.5Å; F309-L313 HydrophobicContact CD1-CD1 4.1Å; F309-L313 HydrophobicContact CE1-CD1 3.64Å; F309-L313 HydrophobicContact CE1-CD2 4.4Å; F309-L313 HydrophobicContact CE1-CG 4.16Å; F309-L313 HydrophobicContact CE2-CD2 4.14Å; F309-L313 HydrophobicContact CE2-CG 4.36Å; F309-L313 HydrophobicContact CZ-CD1 3.98Å; F309-L313 HydrophobicContact CZ-CD2 3.87Å; F309-L313 HydrophobicContact CZ-CG 4.08Å; F309-L313 PolarHBondContact O-N 3.16Å; F309-L338 HydrophobicContact CB-CD2 4.24Å; F309-L338 HydrophobicContact CB-CG 4.48Å; F309-L338 HydrophobicContact CD2-CD2 4.11Å; F309-H339 AromaticContact CD1-NE2 3.9Å; F309-H339 AromaticContact CD2-CE1 3.72Å; F309-H339 AromaticContact CD2-NE2 3.47Å; F309-H339 WeakPolarHBondContact CD2-NE2 3.46Å; F309-H339 AromaticContact CE1-NE2 3.9Å; F309-H339 AromaticContact CE2-CE1 3.81Å; F309-H339 AromaticContact CE2-NE2 3.49Å; F309-H339 WeakPolarHBondContact CE2-NE2 3.38Å; F309-H339 AromaticContact CG-NE2 3.68Å; F309-H339 AromaticContact CZ-NE2 3.7Å
310	E	98.9	Very high	98.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.8	-37.7	176.5	-68.6	-179.2	150.4	0	0	112.6	W129 H276 V280 C306 S312 L313 L314	W129-E310 HydrophobicContact CH2-CB 4Å; W129-E310 WeakPolarHBondContact CH2-OE2 3.45Å; W129-E310 HydrophobicContact CZ2-CB 4.19Å; H276-E310 IonicContact CE1-OE1 3.55Å; H276-E310 PolarHBondContact CE1-OE1 3.01Å; H276-E310 VanDerWaalsContact CE1-OE1 3.25Å; H276-E310 IonicContact CG-OE1 3.22Å; H276-E310 IonicContact ND1-OE1 2.75Å; H276-E310 PolarHBondContact ND1-OE1 3.23Å; V280-E310 HydrophobicContact CG2-CB 4.34Å; V280-E310 HydrophobicContact CG2-CG 3.89Å; V280-E310 VanDerWaalsContact CG2-OE1 3.24Å; V280-E310 WeakPolarHBondContact CG2-OE1 3.37Å; C306-E310 WeakPolarHBondContact O-CG 3.36Å; C306-E310 PolarHBondContact O-N 3.19Å; E310-S312 VanDerWaalsContact C-N 3.25Å; E310-S312 PolarHBondContact O-N 2.76Å; E310-L313 PolarHBondContact O-N 2.79Å; E310-L314 VanDerWaalsContact O-CG 3.24Å; E310-L314 WeakPolarHBondContact O-CG 3.38Å; E310-L314 PolarHBondContact O-N 3.34Å
311	T	98.9	Very high	98.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-58.7	-40.7	171.5	-57.3	0	0	0	0	110.7	V36 L41 M45 I127 W129 W307 T308 F309 L314 L315	V36-T311 HydrophobicContact CG1-CG2 4.47Å; V36-T311 HydrophobicContact CG2-CG2 4.29Å; L41-T311 HydrophobicContact CD1-CG2 4.14Å; M45-T311 HydrophobicContact CE-CG2 4.41Å; M45-T311 HydrophobicContact SD-CG2 4.13Å; I127-T311 HydrophobicContact CD1-CG2 4.29Å; W129-T311 WeakPolarHBondContact CZ2-OG1 3.37Å; W129-T311 PolarHBondContact NE1-OG1 2.86Å; W307-T311 WeakPolarHBondContact O-CB 3.14Å; W307-T311 PolarHBondContact O-N 2.92Å; W307-T311 PolarHBondContact O-OG1 3.12Å; T308-T311 WeakPolarHBondContact O-CB 3.17Å; T308-T311 PolarHBondContact O-N 3.32Å; F309-T311 VanDerWaalsContact C-N 3.3Å; F309-T311 PolarHBondContact O-N 3.02Å; T311-L314 PolarHBondContact O-N 2.89Å; T311-L315 HydrophobicContact CG2-CD1 4Å; T311-L315 VanDerWaalsContact O-CG 3.23Å; T311-L315 WeakPolarHBondContact O-CG 3.47Å; T311-L315 PolarHBondContact O-N 3.37Å; T311-L315 VanDerWaalsContact O-N 3.15Å
312	S	98.8	Very high	98.5	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-65.4	-39.8	176.9	112.4	0	0	0	0	112.2	T308 F309 E310 L315 E316 E317	T308-S312 PolarHBondContact O-N 2.96Å; T308-S312 VanDerWaalsContact O-N 3.11Å; F309-S312 WeakPolarHBondContact O-CA 3.44Å; F309-S312 VanDerWaalsContact O-CB 3.32Å; F309-S312 WeakPolarHBondContact O-CB 3.34Å; F309-S312 PolarHBondContact O-N 3.49Å; F309-S312 PolarHBondContact O-OG 3.5Å; E310-S312 VanDerWaalsContact C-N 3.25Å; E310-S312 PolarHBondContact O-N 2.76Å; S312-L315 CarbonylContact O-C 3.59Å; S312-L315 PolarHBondContact O-N 2.76Å; S312-E316 PolarHBondContact O-N 2.85Å; S312-E317 VanDerWaalsContact CB-O 3.31Å; S312-E317 WeakPolarHBondContact CB-O 3.42Å; S312-E317 PolarHBondContact O-N 2.99Å; S312-E317 PolarHBondContact OG-O 2.64Å
313	L	98.7	Very high	98.5	Very high	30 Å²	30	33.8 Å²	33.8	16%	0.157	18%	0.182	C	C	.	.	H	α-helix	trans	-63.7	-41.3	175.1	-63.3	178.9	0	0	0	112.1	G277 F309 E310 L315 E316	G277-L313 VanDerWaalsContact O-CD1 3.28Å; G277-L313 WeakPolarHBondContact O-CD1 3.44Å; F309-L313 HydrophobicContact CD1-CD1 4.1Å; F309-L313 HydrophobicContact CE1-CD1 3.64Å; F309-L313 HydrophobicContact CE1-CD2 4.4Å; F309-L313 HydrophobicContact CE1-CG 4.16Å; F309-L313 HydrophobicContact CE2-CD2 4.14Å; F309-L313 HydrophobicContact CE2-CG 4.36Å; F309-L313 HydrophobicContact CZ-CD1 3.98Å; F309-L313 HydrophobicContact CZ-CD2 3.87Å; F309-L313 HydrophobicContact CZ-CG 4.08Å; F309-L313 PolarHBondContact O-N 3.16Å; E310-L313 PolarHBondContact O-N 2.79Å; L313-L315 PolarHBondContact O-N 2.97Å; L313-E316 PolarHBondContact O-N 3.41Å
314	L	98.7	Very high	98.5	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-63.9	-28.8	176.6	-68.7	164.8	0	0	0	112.2	I125 I127 V280 K284 L290 V292 E310 T311	I125-L314 HydrophobicContact CD1-CD2 4.13Å; I125-L314 HydrophobicContact CG2-CD2 4.1Å; I127-L314 HydrophobicContact CD1-CB 4.19Å; I127-L314 HydrophobicContact CD1-CD1 3.53Å; I127-L314 HydrophobicContact CD1-CG 4.5Å; I127-L314 HydrophobicContact CG1-CD1 3.92Å; V280-L314 HydrophobicContact CG1-CD1 4.27Å; V280-L314 HydrophobicContact CG1-CD2 3.61Å; V280-L314 HydrophobicContact CG1-CG 3.8Å; K284-L314 HydrophobicContact CD-CD2 4.11Å; K284-L314 VanDerWaalsContact CE-O 3.23Å; K284-L314 WeakPolarHBondContact CE-O 3.47Å; L290-L314 HydrophobicContact CD2-CD2 4Å; V292-L314 HydrophobicContact CB-CD1 4.24Å; V292-L314 HydrophobicContact CG1-CD1 4.11Å; V292-L314 HydrophobicContact CG2-CD1 3.86Å; V292-L314 HydrophobicContact CG2-CD2 3.91Å; E310-L314 VanDerWaalsContact O-CG 3.24Å; E310-L314 WeakPolarHBondContact O-CG 3.38Å; E310-L314 PolarHBondContact O-N 3.34Å; T311-L314 PolarHBondContact O-N 2.89Å
315	L	98.4	Very high	98.4	Very high	20 Å²	20	43.7 Å²	43.7	11%	0.105	23%	0.225	C	C	.	.	H	α-helix	trans	-92.1	-5.5	177.4	-62.7	171.2	0	0	0	114.1	T5 L41 K44 M45 T311 S312 L313 E317	T5-L315 HydrophobicContact CG2-CD2 3.91Å; L41-L315 HydrophobicContact CB-CD1 3.9Å; L41-L315 HydrophobicContact CD2-CD1 4.12Å; L41-L315 HydrophobicContact CG-CD1 4.47Å; K44-L315 HydrophobicContact CB-CD1 4.26Å; K44-L315 HydrophobicContact CB-CD2 4.29Å; M45-L315 HydrophobicContact CB-CD2 3.91Å; M45-L315 HydrophobicContact SD-CD1 4.05Å; T311-L315 HydrophobicContact CG2-CD1 4Å; T311-L315 VanDerWaalsContact O-CG 3.23Å; T311-L315 WeakPolarHBondContact O-CG 3.47Å; T311-L315 PolarHBondContact O-N 3.37Å; T311-L315 VanDerWaalsContact O-N 3.15Å; S312-L315 CarbonylContact O-C 3.59Å; S312-L315 PolarHBondContact O-N 2.76Å; L313-L315 PolarHBondContact O-N 2.97Å; L315-E317 HydrophobicContact CB-CB 4.29Å; L315-E317 PolarHBondContact O-N 2.94Å
316	E	97.6	Very high	98.3	Very high	124 Å²	124	43.8 Å²	43.8	58%	0.579	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	32.8	-171.2	-56.7	177.3	-173.4	0	0	112.6	K284 S312 L313	K284-E316 VanDerWaalsContact NZ-CD 3.33Å; K284-E316 IonicContact NZ-OE1 3.74Å; K284-E316 PolarHBondContact NZ-OE1 3.11Å; S312-E316 PolarHBondContact O-N 2.85Å; L313-E316 PolarHBondContact O-N 3.41Å
317	E	97.6	Very high	98.3	Very high	70 Å²	70	50.3 Å²	50.3	33%	0.327	26%	0.256	S	S	.	.			trans	-106.8	125.2	-179.4	-169.9	72.6	-143.4	0	0	109.9	L41 K44 S312 L315	L41-E317 HydrophobicContact CD2-CB 3.99Å; L41-E317 HydrophobicContact CD2-CG 3.97Å; K44-E317 VanDerWaalsContact CE-OE2 3.24Å; K44-E317 WeakPolarHBondContact CE-OE2 3.39Å; K44-E317 IonicContact NZ-OE2 2.83Å; K44-E317 PolarHBondContact NZ-OE2 2.73Å; S312-E317 VanDerWaalsContact CB-O 3.31Å; S312-E317 WeakPolarHBondContact CB-O 3.42Å; S312-E317 PolarHBondContact O-N 2.99Å; S312-E317 PolarHBondContact OG-O 2.64Å; L315-E317 HydrophobicContact CB-CB 4.29Å; L315-E317 PolarHBondContact O-N 2.94Å
318	S	97.2	Very high	98.2	Very high	113 Å²	113	53 Å²	53	79%	0.79	27%	0.267	S	S	*	.			trans	-79.8	127.7	173.4	-170.6	0	0	0	0	109.5
319	I	98.2	Very high	98.2	Very high	29 Å²	29	54.9 Å²	54.9	15%	0.149	28%	0.275	C	S	.	.			trans	-117.8	150.5	178.6	56.6	175.6	0	0	0	110.8	Y39 L41 T308 L338	Y39-I319 HydrophobicContact CD1-CB 3.79Å; Y39-I319 HydrophobicContact CD1-CD1 4.47Å; Y39-I319 HydrophobicContact CD1-CG2 3.99Å; Y39-I319 HydrophobicContact CD2-CD1 4.38Å; Y39-I319 HydrophobicContact CE1-CB 3.86Å; Y39-I319 HydrophobicContact CE1-CD1 4.41Å; Y39-I319 HydrophobicContact CE1-CG1 4.49Å; Y39-I319 HydrophobicContact CE2-CD1 4.32Å; Y39-I319 HydrophobicContact CG-CB 4.43Å; Y39-I319 HydrophobicContact CG-CD1 4.44Å; Y39-I319 HydrophobicContact CG-CG2 4.34Å; L41-I319 HydrophobicContact CD2-CG2 3.79Å; L41-I319 HydrophobicContact CG-CG2 4.4Å; T308-I319 HydrophobicContact CG2-CD1 4.35Å; I319-L338 HydrophobicContact CD1-CD2 3.42Å; I319-L338 VanDerWaalsContact CD1-CD2 3.42Å; I319-L338 HydrophobicContact CG1-CD2 3.8Å
320	S	98.1	Very high	98.1	Very high	68 Å²	68	60.3 Å²	60.3	48%	0.476	30%	0.301	S	S	.	.			trans	-63	146.3	177.9	-173.5	0	0	0	0	111.1	Y39 E322	Y39-S320 WeakPolarHBondContact CE1-O 3.37Å; Y39-S320 PolarHBondContact OH-O 2.81Å; S320-E322 PolarHBondContact OG-N 3.21Å
321	D	98.2	Very high	98.1	Very high	62 Å²	62	66.2 Å²	66.2	33%	0.332	32%	0.324	S	S	.	.	S	Bend	trans	-71.3	-23.1	170.2	-162.6	51	0	0	0	112.1	L323 T337 L338 H339	D321-L323 PolarHBondContact O-N 3.37Å; D321-T337 CarbonylContact O-C 3.59Å; D321-T337 WeakPolarHBondContact O-CA 3.26Å; D321-T337 WeakPolarHBondContact O-CB 3.45Å; D321-L338 PolarHBondContact O-N 3.5Å; D321-H339 WeakPolarHBondContact OD1-CB 3.35Å; D321-H339 IonicContact OD1-CE1 3.74Å; D321-H339 IonicContact OD1-CG 3.69Å; D321-H339 PolarHBondContact OD1-N 3.42Å; D321-H339 IonicContact OD1-ND1 2.92Å; D321-H339 PolarHBondContact OD1-ND1 3.38Å
322	E	98.3	Very high	98.1	Very high	153 Å²	153	66.2 Å²	66.2	72%	0.715	32%	0.324	S	S	*	.	B	Isolated β-bridge	trans	-72.3	125.2	170.3	-64.8	-176.7	171.4	0	0	109.9	Y39 S320	Y39-E322 PolarHBondContact OH-O 2.9Å; S320-E322 PolarHBondContact OG-N 3.21Å
323	L	98.6	Very high	97.9	Very high	12 Å²	12	68.1 Å²	68.1	6%	0.063	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-69.8	137	177	-66.7	177.7	0	0	0	110.2	L35 Y39 D321 F329 F332 F336 T337 L338	L35-L323 HydrophobicContact CD1-CD2 4.34Å; L35-L323 HydrophobicContact CD2-CD2 4.17Å; Y39-L323 HydrophobicContact CE2-CD2 4.02Å; Y39-L323 WeakPolarHBondContact OH-CD2 3.42Å; D321-L323 PolarHBondContact O-N 3.37Å; L323-F329 HydrophobicContact CB-CE2 4.15Å; L323-F329 WeakPolarHBondContact O-CE2 3.35Å; L323-F332 HydrophobicContact CD1-CB 3.35Å; L323-F332 HydrophobicContact CD1-CD1 3.76Å; L323-F332 HydrophobicContact CD1-CD2 3.77Å; L323-F332 HydrophobicContact CD1-CE1 4.5Å; L323-F332 HydrophobicContact CD1-CG 3.34Å; L323-F336 WeakPolarHBondContact CB-O 3.08Å; L323-F336 WeakPolarHBondContact CG-O 3.39Å; L323-F336 PolarHBondContact N-O 2.85Å; L323-T337 WeakPolarHBondContact CD1-O 3.32Å; L323-L338 HydrophobicContact CD2-CB 4.02Å; L323-L338 HydrophobicContact CD2-CD1 4Å
324	P	98.1	Very high	97.8	Very high	30 Å²	30	72.1 Å²	72.1	20%	0.195	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-69.8	149.1	172.4	31.6	-36.2	0	0	0	110.2	H38 Y39 S326	H38-P324 HydrophobicContact CB-CB 3.88Å; H38-P324 HydrophobicContact CB-CG 3.58Å; Y39-P324 HydrophobicContact CD1-CG 4.24Å; Y39-P324 HydrophobicContact CD2-CG 3.92Å; Y39-P324 HydrophobicContact CE1-CG 4.37Å; Y39-P324 VanDerWaalsContact CE2-CD 3.41Å; Y39-P324 HydrophobicContact CE2-CG 4.07Å; Y39-P324 HydrophobicContact CG-CG 4.02Å; P324-S326 PolarHBondContact O-N 3.27Å
325	Y	97.8	Very high	97.7	Very high	178 Å²	178	75 Å²	75	70%	0.698	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-59.8	136	172.9	-173.1	-98.1	0	0	0	110.4	H38 F329	H38-Y325 PolarHBondContact CD2-O 3.33Å; Y325-F329 HydrophobicContact CD2-CB 4.15Å; Y325-F329 HydrophobicContact CD2-CD1 4.11Å; Y325-F329 HydrophobicContact CD2-CG 4.01Å; Y325-F329 HydrophobicContact CE2-CB 4.33Å; Y325-F329 HydrophobicContact CE2-CD1 4.43Å; Y325-F329 HydrophobicContact CE2-CG 4.5Å
326	S	97.1	Very high	97.7	Very high	4 Å²	4	76.9 Å²	76.9	3%	0.028	39%	0.39	C	S	.	.			trans	-152.4	173.9	-179.7	62.4	0	0	0	0	110.4	S34 P324 Y328 F329	S34-S326 WeakPolarHBondContact OG-CB 3.42Å; P324-S326 PolarHBondContact O-N 3.27Å; S326-Y328 PolarHBondContact O-N 2.96Å; S326-Y328 VanDerWaalsContact O-N 3.15Å; S326-F329 WeakPolarHBondContact O-CB 3.17Å; S326-F329 PolarHBondContact O-N 3.35Å; S326-F329 VanDerWaalsContact O-N 3.16Å; S326-F329 PolarHBondContact OG-N 3.23Å
327	E	97.8	Very high	97.7	Very high	137 Å²	137	72.5 Å²	72.5	64%	0.64	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-23	178.8	-50.2	78.2	-166	0	0	112.6	S34 H38	S34-E327 PolarHBondContact OG-OE2 2.95Å; H38-E327 IonicContact CE1-OE1 3.62Å; H38-E327 PolarHBondContact CE1-OE1 2.72Å; H38-E327 IonicContact CE1-OE2 3.82Å; H38-E327 PolarHBondContact CE1-OE2 2.89Å; H38-E327 IonicContact NE2-OE1 3.43Å
328	Y	97.9	Very high	97.7	Very high	57 Å²	57	69.2 Å²	69.2	22%	0.224	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	12.6	-179	-53.7	-67	0	0	0	113.3	H27 L31 S326 E330 Y331	H27-Y328 AromaticContact CE1-CE1 3.73Å; H27-Y328 AromaticContact CE1-CZ 3.83Å; H27-Y328 PolarHBondContact CE1-OH 3.03Å; H27-Y328 AromaticContact NE2-CD1 3.98Å; H27-Y328 AromaticContact NE2-CE1 3.27Å; H27-Y328 VanDerWaalsContact NE2-CE1 3.27Å; H27-Y328 WeakPolarHBondContact NE2-CE1 2.77Å; H27-Y328 AromaticContact NE2-CZ 3.77Å; L31-Y328 HydrophobicContact CD1-CD1 3.98Å; L31-Y328 HydrophobicContact CD1-CD2 4.19Å; L31-Y328 HydrophobicContact CD1-CE1 4.24Å; L31-Y328 HydrophobicContact CD1-CE2 4.43Å; L31-Y328 HydrophobicContact CD1-CG 3.95Å; L31-Y328 HydrophobicContact CG-CD1 4.31Å; L31-Y328 HydrophobicContact CG-CD2 4.02Å; L31-Y328 HydrophobicContact CG-CG 3.82Å; S326-Y328 PolarHBondContact O-N 2.96Å; S326-Y328 VanDerWaalsContact O-N 3.15Å; Y328-E330 PolarHBondContact O-N 3.05Å; Y328-E330 VanDerWaalsContact O-N 3.09Å; Y328-Y331 HydrophobicContact CD1-CD2 4.36Å; Y328-Y331 HydrophobicContact CD1-CE2 4.13Å; Y328-Y331 VanDerWaalsContact O-CB 3.28Å; Y328-Y331 WeakPolarHBondContact O-CB 3.35Å; Y328-Y331 PolarHBondContact O-N 3.17Å
329	F	98	Very high	97.8	Very high	39 Å²	39	65.4 Å²	65.4	17%	0.171	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-51.5	-40.1	-171.7	-171	-107.5	0	0	0	113.8	L323 Y325 S326 Y331 F332 F336	L323-F329 HydrophobicContact CB-CE2 4.15Å; L323-F329 WeakPolarHBondContact O-CE2 3.35Å; Y325-F329 HydrophobicContact CD2-CB 4.15Å; Y325-F329 HydrophobicContact CD2-CD1 4.11Å; Y325-F329 HydrophobicContact CD2-CG 4.01Å; Y325-F329 HydrophobicContact CE2-CB 4.33Å; Y325-F329 HydrophobicContact CE2-CD1 4.43Å; Y325-F329 HydrophobicContact CE2-CG 4.5Å; S326-F329 WeakPolarHBondContact O-CB 3.17Å; S326-F329 PolarHBondContact O-N 3.35Å; S326-F329 VanDerWaalsContact O-N 3.16Å; S326-F329 PolarHBondContact OG-N 3.23Å; F329-Y331 PolarHBondContact O-N 2.9Å; F329-F332 WeakPolarHBondContact O-CD2 3.4Å; F329-F332 PolarHBondContact O-N 2.82Å; F329-F336 AromaticContact CD1-CD1 3.72Å; F329-F336 HydrophobicContact CD1-CD1 3.72Å; F329-F336 AromaticContact CD1-CE1 3.78Å; F329-F336 HydrophobicContact CD1-CE1 3.78Å; F329-F336 HydrophobicContact CD2-CD1 4.43Å; F329-F336 HydrophobicContact CE1-CB 4.29Å; F329-F336 AromaticContact CE1-CD1 3.25Å; F329-F336 HydrophobicContact CE1-CD1 3.25Å; F329-F336 HydrophobicContact CE1-CD2 4.5Å; F329-F336 AromaticContact CE1-CE1 3.55Å; F329-F336 HydrophobicContact CE1-CE1 3.55Å; F329-F336 AromaticContact CE1-CG 3.77Å; F329-F336 HydrophobicContact CE1-CG 3.77Å; F329-F336 HydrophobicContact CE1-CZ 4.31Å; F329-F336 HydrophobicContact CE2-CB 4.09Å; F329-F336 HydrophobicContact CE2-CD1 4.04Å; F329-F336 HydrophobicContact CE2-CG 4.39Å; F329-F336 HydrophobicContact CG-CD1 4.3Å; F329-F336 HydrophobicContact CZ-CB 3.62Å; F329-F336 AromaticContact CZ-CD1 3.44Å; F329-F336 HydrophobicContact CZ-CD1 3.44Å; F329-F336 VanDerWaalsContact CZ-CD1 3.44Å; F329-F336 HydrophobicContact CZ-CE1 4.22Å; F329-F336 AromaticContact CZ-CG 3.63Å; F329-F336 HydrophobicContact CZ-CG 3.63Å
330	E	98.2	Very high	97.7	Very high	137 Å²	137	65 Å²	65	64%	0.64	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-65.1	-17.9	179.4	-63.6	-58.4	137.3	0	0	114.4	Y328 F332 A333	Y328-E330 PolarHBondContact O-N 3.05Å; Y328-E330 VanDerWaalsContact O-N 3.09Å; E330-F332 PolarHBondContact O-N 2.93Å; E330-A333 PolarHBondContact O-N 2.82Å
331	Y	97.8	Very high	97.4	Very high	124 Å²	124	68.3 Å²	68.3	49%	0.486	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-64.9	-19.3	172.6	-82.4	-108.4	0	0	0	112.9	L31 Y328 F329	L31-Y331 HydrophobicContact CD2-CD1 3.78Å; L31-Y331 HydrophobicContact CD2-CE1 4.41Å; L31-Y331 HydrophobicContact CD2-CG 3.9Å; Y328-Y331 HydrophobicContact CD1-CD2 4.36Å; Y328-Y331 HydrophobicContact CD1-CE2 4.13Å; Y328-Y331 VanDerWaalsContact O-CB 3.28Å; Y328-Y331 WeakPolarHBondContact O-CB 3.35Å; Y328-Y331 PolarHBondContact O-N 3.17Å; F329-Y331 PolarHBondContact O-N 2.9Å
332	F	98.3	Very high	97.1	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-102.9	8.9	-175	-53.2	-73.9	0	0	0	113.3	L31 L35 R301 A304 R305 L323 F329 E330 F336	L31-F332 HydrophobicContact CD2-CZ 4.1Å; L35-F332 HydrophobicContact CD1-CE1 3.99Å; L35-F332 HydrophobicContact CD1-CE2 4.24Å; L35-F332 HydrophobicContact CD1-CZ 3.59Å; L35-F332 HydrophobicContact CD2-CE2 4.05Å; L35-F332 HydrophobicContact CD2-CZ 4.24Å; L35-F332 HydrophobicContact CG-CE2 4.27Å; L35-F332 HydrophobicContact CG-CZ 4Å; R301-F332 HydrophobicContact CB-CD1 4.06Å; R301-F332 HydrophobicContact CB-CE1 4.21Å; R301-F332 WeakPolarHBondContact O-CE1 3.41Å; A304-F332 HydrophobicContact CB-CE1 4.11Å; A304-F332 HydrophobicContact CB-CZ 4.12Å; R305-F332 HydrophobicContact CG-CD1 4.2Å; R305-F332 HydrophobicContact CG-CE1 4.15Å; R305-F332 PolarHBondContact NH2-O 3.38Å; L323-F332 HydrophobicContact CD1-CB 3.35Å; L323-F332 HydrophobicContact CD1-CD1 3.76Å; L323-F332 HydrophobicContact CD1-CD2 3.77Å; L323-F332 HydrophobicContact CD1-CE1 4.5Å; L323-F332 HydrophobicContact CD1-CG 3.34Å; F329-F332 WeakPolarHBondContact O-CD2 3.4Å; F329-F332 PolarHBondContact O-N 2.82Å; E330-F332 PolarHBondContact O-N 2.93Å; F332-F336 HydrophobicContact CB-CD1 4.49Å; F332-F336 WeakPolarHBondContact O-CA 3.49Å; F332-F336 PolarHBondContact O-N 2.99Å
333	A	96.2	Very high	96.4	Very high	42 Å²	42	61.8 Å²	61.8	35%	0.347	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	151.5	169.6	0	0	0	0	0	111.4	E330 F336	E330-A333 PolarHBondContact O-N 2.82Å; A333-F336 HydrophobicContact CB-CE1 3.86Å; A333-F336 HydrophobicContact CB-CE2 4.49Å; A333-F336 HydrophobicContact CB-CZ 3.71Å
334	P	96.3	Very high	95.4	Very high	115 Å²	115	62.4 Å²	62.4	75%	0.747	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	cis	-92.3	-11.2	2.8	36.9	-35.7	0	0	0	114.5	F336	P334-F336 VanDerWaalsContact O-CD2 3.27Å; P334-F336 WeakPolarHBondContact O-CD2 3.45Å; P334-F336 VanDerWaalsContact O-CE2 3.28Å; P334-F336 WeakPolarHBondContact O-CE2 3.41Å
335	D	96.1	Very high	94.5	Very high	62 Å²	62	73.4 Å²	73.4	33%	0.332	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-32.3	-170	53.6	-85.1	0	0	0	113.3	R305 T337	R305-D335 IonicContact CZ-OD2 3.78Å; R305-D335 IonicContact NH2-OD1 3.69Å; R305-D335 IonicContact NH2-OD2 2.68Å; R305-D335 PolarHBondContact NH2-OD2 3.46Å; D335-T337 HydrophobicContact CB-CG2 4.42Å; D335-T337 WeakPolarHBondContact O-CG2 3.41Å; D335-T337 PolarHBondContact O-N 3.18Å; D335-T337 PolarHBondContact OD2-N 3.09Å; D335-T337 PolarHBondContact OD2-OG1 2.82Å
336	F	97.7	Very high	94	Very high	58 Å²	58	68.6 Å²	68.6	25%	0.254	34%	0.341	S	S	.	.			trans	54.4	31.2	-176.3	-48.5	-80.1	0	0	0	113.5	L323 F329 F332 A333 P334	L323-F336 WeakPolarHBondContact CB-O 3.08Å; L323-F336 WeakPolarHBondContact CG-O 3.39Å; L323-F336 PolarHBondContact N-O 2.85Å; F329-F336 AromaticContact CD1-CD1 3.72Å; F329-F336 HydrophobicContact CD1-CD1 3.72Å; F329-F336 AromaticContact CD1-CE1 3.78Å; F329-F336 HydrophobicContact CD1-CE1 3.78Å; F329-F336 HydrophobicContact CD2-CD1 4.43Å; F329-F336 HydrophobicContact CE1-CB 4.29Å; F329-F336 AromaticContact CE1-CD1 3.25Å; F329-F336 HydrophobicContact CE1-CD1 3.25Å; F329-F336 HydrophobicContact CE1-CD2 4.5Å; F329-F336 AromaticContact CE1-CE1 3.55Å; F329-F336 HydrophobicContact CE1-CE1 3.55Å; F329-F336 AromaticContact CE1-CG 3.77Å; F329-F336 HydrophobicContact CE1-CG 3.77Å; F329-F336 HydrophobicContact CE1-CZ 4.31Å; F329-F336 HydrophobicContact CE2-CB 4.09Å; F329-F336 HydrophobicContact CE2-CD1 4.04Å; F329-F336 HydrophobicContact CE2-CG 4.39Å; F329-F336 HydrophobicContact CG-CD1 4.3Å; F329-F336 HydrophobicContact CZ-CB 3.62Å; F329-F336 AromaticContact CZ-CD1 3.44Å; F329-F336 HydrophobicContact CZ-CD1 3.44Å; F329-F336 VanDerWaalsContact CZ-CD1 3.44Å; F329-F336 HydrophobicContact CZ-CE1 4.22Å; F329-F336 AromaticContact CZ-CG 3.63Å; F329-F336 HydrophobicContact CZ-CG 3.63Å; F332-F336 HydrophobicContact CB-CD1 4.49Å; F332-F336 WeakPolarHBondContact O-CA 3.49Å; F332-F336 PolarHBondContact O-N 2.99Å; A333-F336 HydrophobicContact CB-CE1 3.86Å; A333-F336 HydrophobicContact CB-CE2 4.49Å; A333-F336 HydrophobicContact CB-CZ 3.71Å; P334-F336 VanDerWaalsContact O-CD2 3.27Å; P334-F336 WeakPolarHBondContact O-CD2 3.45Å; P334-F336 VanDerWaalsContact O-CE2 3.28Å; P334-F336 WeakPolarHBondContact O-CE2 3.41Å
337	T	98.4	Very high	93.8	Very high	33 Å²	33	75.2 Å²	75.2	20%	0.202	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-108.4	160.8	176.5	72.2	0	0	0	0	112.4	R305 D321 L323 D335	R305-T337 VanDerWaalsContact CZ-O 3.26Å; R305-T337 PolarHBondContact NE-O 3.38Å; R305-T337 PolarHBondContact NH2-O 3.45Å; D321-T337 CarbonylContact O-C 3.59Å; D321-T337 WeakPolarHBondContact O-CA 3.26Å; D321-T337 WeakPolarHBondContact O-CB 3.45Å; L323-T337 WeakPolarHBondContact CD1-O 3.32Å; D335-T337 HydrophobicContact CB-CG2 4.42Å; D335-T337 WeakPolarHBondContact O-CG2 3.41Å; D335-T337 PolarHBondContact O-N 3.18Å; D335-T337 PolarHBondContact OD2-N 3.09Å; D335-T337 PolarHBondContact OD2-OG1 2.82Å
338	L	98.4	Very high	93.8	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	35%	0.353	C	S	.	.	S	Bend	trans	-75.8	-38.4	176.7	-175.4	64.4	0	0	0	111.2	Y39 I273 R305 T308 F309 I319 D321 L323 P340	Y39-L338 HydrophobicContact CE2-CD1 4.39Å; I273-L338 VanDerWaalsContact CD1-O 3.3Å; I273-L338 WeakPolarHBondContact CD1-O 3.31Å; R305-L338 HydrophobicContact CB-CD1 4.09Å; R305-L338 WeakPolarHBondContact CB-O 3.35Å; R305-L338 HydrophobicContact CG-CD1 4.36Å; T308-L338 HydrophobicContact CG2-CD1 4.48Å; F309-L338 HydrophobicContact CB-CD2 4.24Å; F309-L338 HydrophobicContact CB-CG 4.48Å; F309-L338 HydrophobicContact CD2-CD2 4.11Å; I319-L338 HydrophobicContact CD1-CD2 3.42Å; I319-L338 VanDerWaalsContact CD1-CD2 3.42Å; I319-L338 HydrophobicContact CG1-CD2 3.8Å; D321-L338 PolarHBondContact O-N 3.5Å; L323-L338 HydrophobicContact CD2-CB 4.02Å; L323-L338 HydrophobicContact CD2-CD1 4Å; L338-P340 WeakPolarHBondContact O-CD 3.27Å
339	H	98.3	Very high	93.8	Very high	34 Å²	34	72.1 Å²	72.1	16%	0.157	36%	0.361	C	S	.	.	S	Bend	trans	-111.7	72.7	178.7	-55	88.6	0	0	0	111.6	R274 F309 D321	R274-H339 VanDerWaalsContact CG-CD2 3.41Å; R274-H339 WeakPolarHBondContact CG-CD2 3.47Å; R274-H339 PolarHBondContact NH2-ND1 2.57Å; F309-H339 AromaticContact CD1-NE2 3.9Å; F309-H339 AromaticContact CD2-CE1 3.72Å; F309-H339 AromaticContact CD2-NE2 3.47Å; F309-H339 WeakPolarHBondContact CD2-NE2 3.46Å; F309-H339 AromaticContact CE1-NE2 3.9Å; F309-H339 AromaticContact CE2-CE1 3.81Å; F309-H339 AromaticContact CE2-NE2 3.49Å; F309-H339 WeakPolarHBondContact CE2-NE2 3.38Å; F309-H339 AromaticContact CG-NE2 3.68Å; F309-H339 AromaticContact CZ-NE2 3.7Å; D321-H339 WeakPolarHBondContact OD1-CB 3.35Å; D321-H339 IonicContact OD1-CE1 3.74Å; D321-H339 IonicContact OD1-CG 3.69Å; D321-H339 PolarHBondContact OD1-N 3.42Å; D321-H339 IonicContact OD1-ND1 2.92Å; D321-H339 PolarHBondContact OD1-ND1 3.38Å
340	P	96	Very high	93.8	Very high	21 Å²	21	70.5 Å²	70.5	14%	0.136	35%	0.354	C	S	.	.			trans	-63.1	157.8	169.2	33.8	-41.4	0	0	0	110.4	I273 L338 V342	I273-P340 HydrophobicContact CD1-CG 4.49Å; L338-P340 WeakPolarHBondContact O-CD 3.27Å; P340-V342 HydrophobicContact CG-CG1 3.9Å; P340-V342 PolarHBondContact O-N 3.01Å; P340-V342 VanDerWaalsContact O-N 3.09Å
341	D	93.1	Very high	93.8	Very high	136 Å²	136	66.6 Å²	66.6	73%	0.727	34%	0.342	S	S	*	.			trans	-69.8	107.4	167.3	-175	14.5	0	0	0	109.6	S343	D341-S343 WeakPolarHBondContact OD1-CB 3.37Å; D341-S343 PolarHBondContact OD1-N 3.38Å; D341-S343 PolarHBondContact OD1-OG 3.3Å
342	V	89.9	Confident	93.8	Very high	6 Å²	6	70.7 Å²	70.7	4%	0.036	36%	0.357	C	S	.	.			trans	-101.4	8.9	176.2	-60.9	0	0	0	0	112.2	G262 C263 L271 N302 P340 T344	G262-V342 CarbonylContact C-O 3.26Å; G262-V342 VanDerWaalsContact C-O 3.26Å; G262-V342 VanDerWaalsContact CA-O 3.25Å; G262-V342 WeakPolarHBondContact CA-O 3.49Å; C263-V342 PolarHBondContact SG-O 3.15Å; L271-V342 WeakPolarHBondContact O-CG2 3.4Å; N302-V342 WeakPolarHBondContact ND2-CG1 3.37Å; P340-V342 HydrophobicContact CG-CG1 3.9Å; P340-V342 PolarHBondContact O-N 3.01Å; P340-V342 VanDerWaalsContact O-N 3.09Å; V342-T344 PolarHBondContact O-N 2.85Å; V342-T344 VanDerWaalsContact O-N 3.15Å
343	S	84.4	Confident	93.7	Very high	73 Å²	73	77.7 Å²	77.7	51%	0.51	39%	0.389	S	S	.	.			trans	-63.4	118.4	-179.2	-50	0	0	0	0	110.2	N270 D341	N270-S343 WeakPolarHBondContact OD1-CA 3.33Å; D341-S343 WeakPolarHBondContact OD1-CB 3.37Å; D341-S343 PolarHBondContact OD1-N 3.38Å; D341-S343 PolarHBondContact OD1-OG 3.3Å
344	T	77.7	Confident	93.8	Very high	25 Å²	25	77.1 Å²	77.1	15%	0.153	38%	0.378	C	S	.	.			trans	-72.7	152.1	168.1	68.5	0	0	0	0	109.8	C263 N270 V342 I346	C263-T344 VanDerWaalsContact N-CG2 3.26Å; N270-T344 VanDerWaalsContact CG-OG1 3.27Å; N270-T344 PolarHBondContact OD1-N 2.96Å; N270-T344 PolarHBondContact OD1-OG1 3.29Å; V342-T344 PolarHBondContact O-N 2.85Å; V342-T344 VanDerWaalsContact O-N 3.15Å; T344-I346 HydrophobicContact CG2-CD1 4.18Å; T344-I346 PolarHBondContact O-N 2.93Å; T344-I346 WeakPolarHBondContact OG1-CB 3.38Å
345	R	79.8	Confident	93.9	Very high	260 Å²	260	72.7 Å²	72.7	98%	0.981	35%	0.348	S	S	*	.	S	Bend	trans	-81.1	18.2	168.9	-62.1	-172.9	-179.4	-162.9	0.2	112.3
346	I	86.2	Confident	93.9	Very high	77 Å²	77	73.1 Å²	73.1	40%	0.395	35%	0.348	S	S	.	.			trans	-79	132.2	-178.8	-61	171.1	0	0	0	107.6	D225 T344	D225-I346 HydrophobicContact CB-CG2 4.37Å; T344-I346 HydrophobicContact CG2-CD1 4.18Å; T344-I346 PolarHBondContact O-N 2.93Å; T344-I346 WeakPolarHBondContact OG1-CB 3.38Å
347	E	94.4	Very high	93.9	Very high	144 Å²	144	75.6 Å²	75.6	67%	0.673	36%	0.36	S	S	*	.			trans	-68.2	132.5	173.5	-178.8	-179.6	-161.5	0	0	109.9	Q349	E347-Q349 PolarHBondContact O-N 3.23Å; E347-Q349 VanDerWaalsContact O-N 3.07Å; E347-Q349 PolarHBondContact OE2-NE2 2.95Å
348	N	97.4	Very high	93.7	Very high	43 Å²	43	74 Å²	74	23%	0.23	35%	0.351	C	S	.	.			trans	-67.4	106.7	174.8	-175.2	-6.3	0	0	0	110.1	G226 D228 S231 N350	G226-N348 WeakPolarHBondContact O-CA 3.4Å; G226-N348 WeakPolarHBondContact O-CB 3.13Å; G226-N348 VanDerWaalsContact O-CG 3.23Å; D228-N348 PolarHBondContact OD2-ND2 3.13Å; S231-N348 PolarHBondContact OG-ND2 3.28Å; N348-N350 PolarHBondContact O-N 3.07Å; N348-N350 WeakPolarHBondContact OD1-CB 3.32Å; N348-N350 PolarHBondContact OD1-N 2.79Å; N348-N350 PolarHBondContact OD1-ND2 2.97Å
349	Q	97.9	Very high	93.6	Very high	85 Å²	85	77.6 Å²	77.6	40%	0.397	37%	0.365	S	S	.	.			trans	-81.8	2.5	-178.4	-63.2	-60.2	-28.1	0	0	113.1	R224 D225 E347 S351	R224-Q349 HydrophobicContact CB-CB 3.9Å; R224-Q349 VanDerWaalsContact CD-O 3.31Å; R224-Q349 WeakPolarHBondContact CD-O 3.49Å; D225-Q349 HydrophobicContact CB-CG 4.38Å; D225-Q349 PolarHBondContact O-N 2.91Å; E347-Q349 PolarHBondContact O-N 3.23Å; E347-Q349 VanDerWaalsContact O-N 3.07Å; E347-Q349 PolarHBondContact OE2-NE2 2.95Å; Q349-S351 PolarHBondContact O-N 3.39Å
350	N	98.1	Very high	93.4	Very high	6 Å²	6	81 Å²	81	3%	0.032	38%	0.381	C	S	.	.			trans	-93.2	79.4	179.6	-56.4	-88	0	0	0	110	R224 D225 N348 Y354 L355	R224-N350 WeakPolarHBondContact CB-OD1 3.45Å; R224-N350 PolarHBondContact N-OD1 3.01Å; R224-N350 PolarHBondContact O-ND2 3.43Å; D225-N350 PolarHBondContact O-ND2 3.43Å; N348-N350 PolarHBondContact O-N 3.07Å; N348-N350 WeakPolarHBondContact OD1-CB 3.32Å; N348-N350 PolarHBondContact OD1-N 2.79Å; N348-N350 PolarHBondContact OD1-ND2 2.97Å; N350-Y354 HydrophobicContact CB-CD1 4.48Å; N350-L355 HydrophobicContact CB-CD1 4.02Å; N350-L355 HydrophobicContact CB-CD2 3.87Å; N350-L355 HydrophobicContact CB-CG 3.92Å
351	S	97.9	Very high	93.4	Very high	55 Å²	55	81.5 Å²	81.5	39%	0.385	38%	0.383	S	S	.	.			trans	-57.7	150.4	176.3	71.6	0	0	0	0	111.3	Q349 Q353 Y354 L355	Q349-S351 PolarHBondContact O-N 3.39Å; S351-Q353 PolarHBondContact O-N 3.49Å; S351-Q353 VanDerWaalsContact O-N 3.16Å; S351-Y354 WeakPolarHBondContact O-CB 3.48Å; S351-Y354 PolarHBondContact O-N 2.78Å; S351-Y354 WeakPolarHBondContact OG-CB 3.39Å; S351-Y354 PolarHBondContact OG-N 3.26Å; S351-L355 PolarHBondContact O-N 3.48Å
352	R	96.7	Very high	93.3	Very high	210 Å²	210	75.1 Å²	75.1	79%	0.792	35%	0.349	S	S	*	.	H	α-helix	trans	-55.1	-36.7	177.7	-176.8	177.7	173.6	178.1	-0.4	112.3	E356	R352-E356 VanDerWaalsContact O-CB 3.3Å; R352-E356 WeakPolarHBondContact O-CB 3.27Å; R352-E356 PolarHBondContact O-N 3.44Å
353	Q	97.8	Very high	93.6	Very high	147 Å²	147	76.4 Å²	76.4	69%	0.687	35%	0.354	S	S	*	.	H	α-helix	trans	-63.9	-42.7	176.4	-63.3	83.4	-4.6	0	0	111.6	S351 Q357	S351-Q353 PolarHBondContact O-N 3.49Å; S351-Q353 VanDerWaalsContact O-N 3.16Å; Q353-Q357 WeakPolarHBondContact O-CB 3.3Å; Q353-Q357 PolarHBondContact O-N 3.21Å
354	Y	97.9	Very high	94	Very high	30 Å²	30	77.3 Å²	77.3	12%	0.118	35%	0.35	C	S	.	.	H	α-helix	trans	-64.3	-49	177.6	176.1	-111.2	0	0	0	111.3	P222 R224 N350 S351 E356 Q357 I358	P222-Y354 PolarHBondContact O-OH 3.45Å; R224-Y354 HydrophobicContact CG-CE1 3.84Å; N350-Y354 HydrophobicContact CB-CD1 4.48Å; S351-Y354 WeakPolarHBondContact O-CB 3.48Å; S351-Y354 PolarHBondContact O-N 2.78Å; S351-Y354 WeakPolarHBondContact OG-CB 3.39Å; S351-Y354 PolarHBondContact OG-N 3.26Å; Y354-E356 VanDerWaalsContact C-N 3.32Å; Y354-E356 PolarHBondContact O-N 3Å; Y354-Q357 WeakPolarHBondContact O-CB 3.4Å; Y354-Q357 PolarHBondContact O-N 2.99Å; Y354-I358 HydrophobicContact CE1-CG1 4.3Å; Y354-I358 HydrophobicContact CE2-CD1 4.14Å; Y354-I358 HydrophobicContact CE2-CG1 4.15Å; Y354-I358 WeakPolarHBondContact O-CG1 3.33Å; Y354-I358 PolarHBondContact O-N 3.48Å
355	L	97.8	Very high	94.8	Very high	21 Å²	21	77.9 Å²	77.9	11%	0.11	35%	0.352	C	S	.	.	H	α-helix	trans	-62.4	-38.7	179	-67	175.6	0	0	0	112.5	L223 I227 L235 N350 S351 I358 R359	L223-L355 HydrophobicContact CD2-CD2 3.88Å; I227-L355 HydrophobicContact CD1-CD2 4.34Å; L235-L355 HydrophobicContact CD2-CD2 4.1Å; N350-L355 HydrophobicContact CB-CD1 4.02Å; N350-L355 HydrophobicContact CB-CD2 3.87Å; N350-L355 HydrophobicContact CB-CG 3.92Å; S351-L355 PolarHBondContact O-N 3.48Å; L355-I358 PolarHBondContact O-N 3.18Å; L355-R359 WeakPolarHBondContact O-CB 3.06Å; L355-R359 PolarHBondContact O-N 2.76Å
356	E	96.3	Very high	95.3	Very high	72 Å²	72	65.5 Å²	65.5	34%	0.336	31%	0.306	S	S	.	.	H	α-helix	trans	-65.7	-39.9	175.9	-172.1	61.9	-130.2	0	0	111.9	R352 Y354 R359 Q360	R352-E356 VanDerWaalsContact O-CB 3.3Å; R352-E356 WeakPolarHBondContact O-CB 3.27Å; R352-E356 PolarHBondContact O-N 3.44Å; Y354-E356 VanDerWaalsContact C-N 3.32Å; Y354-E356 PolarHBondContact O-N 3Å; E356-R359 PolarHBondContact O-N 3.04Å; E356-R359 IonicContact OE1-CZ 2.92Å; E356-R359 IonicContact OE1-NE 3.19Å; E356-R359 PolarHBondContact OE1-NE 3.43Å; E356-R359 VanDerWaalsContact OE1-NE 3.08Å; E356-R359 IonicContact OE1-NH2 3.87Å; E356-R359 PolarHBondContact OE1-NH2 3.3Å; E356-R359 IonicContact OE2-CZ 2.9Å; E356-R359 IonicContact OE2-NE 2.73Å; E356-R359 IonicContact OE2-NH1 3.46Å; E356-R359 IonicContact OE2-NH2 2.78Å; E356-R359 PolarHBondContact OE2-NH2 3.13Å; E356-Q360 WeakPolarHBondContact O-CB 3.07Å; E356-Q360 PolarHBondContact O-N 3.44Å
357	Q	96.8	Very high	95.6	Very high	109 Å²	109	68.2 Å²	68.2	51%	0.509	32%	0.315	S	S	.	.	H	α-helix	trans	-62.1	-45.4	175.6	-177.4	-176.9	2.1	0	0	111.6	Q353 Y354 Q360 T361	Q353-Q357 WeakPolarHBondContact O-CB 3.3Å; Q353-Q357 PolarHBondContact O-N 3.21Å; Y354-Q357 WeakPolarHBondContact O-CB 3.4Å; Y354-Q357 PolarHBondContact O-N 2.99Å; Q357-Q360 PolarHBondContact O-N 3.02Å; Q357-T361 WeakPolarHBondContact O-CB 3.21Å; Q357-T361 PolarHBondContact O-N 3.21Å; Q357-T361 PolarHBondContact O-OG1 3.38Å
358	I	95.3	Very high	95.4	Very high	1 Å²	1	66.6 Å²	66.6	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-59.3	-51	174.7	-64.8	-61.5	0	0	0	109.8	M206 V221 P222 Y354 L355 Q360 T361 V362	M206-I358 HydrophobicContact CE-CD1 3.23Å; M206-I358 HydrophobicContact SD-CD1 4.03Å; V221-I358 HydrophobicContact CG1-CG2 3.8Å; P222-I358 HydrophobicContact CG-CD1 3.94Å; Y354-I358 HydrophobicContact CE1-CG1 4.3Å; Y354-I358 HydrophobicContact CE2-CD1 4.14Å; Y354-I358 HydrophobicContact CE2-CG1 4.15Å; Y354-I358 WeakPolarHBondContact O-CG1 3.33Å; Y354-I358 PolarHBondContact O-N 3.48Å; L355-I358 PolarHBondContact O-N 3.18Å; I358-Q360 VanDerWaalsContact C-N 3.33Å; I358-Q360 PolarHBondContact O-N 3.47Å; I358-T361 PolarHBondContact O-N 3.07Å; I358-V362 HydrophobicContact CG2-CG2 4.23Å; I358-V362 WeakPolarHBondContact O-CB 3.5Å; I358-V362 VanDerWaalsContact O-CG2 3.3Å; I358-V362 WeakPolarHBondContact O-CG2 3.44Å; I358-V362 PolarHBondContact O-N 3.32Å
359	R	95.1	Very high	94.7	Very high	75 Å²	75	64.9 Å²	64.9	28%	0.283	30%	0.299	S	S	.	.	H	α-helix	trans	-57.2	-45.2	-179.7	-170.6	179.9	72.7	169.2	3.4	112.3	L235 L355 E356 V362 F363	L235-R359 HydrophobicContact CD1-CB 3.73Å; L235-R359 HydrophobicContact CD1-CG 4.1Å; L355-R359 WeakPolarHBondContact O-CB 3.06Å; L355-R359 PolarHBondContact O-N 2.76Å; E356-R359 PolarHBondContact O-N 3.04Å; E356-R359 IonicContact OE1-CZ 2.92Å; E356-R359 IonicContact OE1-NE 3.19Å; E356-R359 PolarHBondContact OE1-NE 3.43Å; E356-R359 VanDerWaalsContact OE1-NE 3.08Å; E356-R359 IonicContact OE1-NH2 3.87Å; E356-R359 PolarHBondContact OE1-NH2 3.3Å; E356-R359 IonicContact OE2-CZ 2.9Å; E356-R359 IonicContact OE2-NE 2.73Å; E356-R359 IonicContact OE2-NH1 3.46Å; E356-R359 IonicContact OE2-NH2 2.78Å; E356-R359 PolarHBondContact OE2-NH2 3.13Å; R359-V362 PolarHBondContact O-N 2.8Å; R359-F363 HydrophobicContact CG-CD1 4.4Å; R359-F363 HydrophobicContact CG-CD2 4.2Å; R359-F363 HydrophobicContact CG-CE1 3.96Å; R359-F363 HydrophobicContact CG-CE2 3.74Å; R359-F363 HydrophobicContact CG-CZ 3.61Å; R359-F363 WeakPolarHBondContact O-CB 3.49Å; R359-F363 WeakPolarHBondContact O-CD1 3.46Å; R359-F363 VanDerWaalsContact O-CG 3.27Å; R359-F363 WeakPolarHBondContact O-CG 3.41Å; R359-F363 PolarHBondContact O-N 3Å
360	Q	95.7	Very high	93.3	Very high	106 Å²	106	67.4 Å²	67.4	50%	0.495	32%	0.316	S	S	.	.	H	α-helix	trans	-62.3	-47.2	178.7	-178.5	176.7	-7.4	0	0	111.2	E356 Q357 I358 V362 F363 E364	E356-Q360 WeakPolarHBondContact O-CB 3.07Å; E356-Q360 PolarHBondContact O-N 3.44Å; Q357-Q360 PolarHBondContact O-N 3.02Å; I358-Q360 VanDerWaalsContact C-N 3.33Å; I358-Q360 PolarHBondContact O-N 3.47Å; Q360-V362 VanDerWaalsContact C-N 3.34Å; Q360-V362 PolarHBondContact O-N 3.01Å; Q360-F363 PolarHBondContact O-N 3.24Å; Q360-E364 WeakPolarHBondContact CG-OE1 3.25Å; Q360-E364 PolarHBondContact NE2-OE1 3.11Å; Q360-E364 WeakPolarHBondContact O-CG 3.2Å; Q360-E364 PolarHBondContact O-N 2.88Å
361	T	94.6	Very high	91.7	Very high	30 Å²	30	73.8 Å²	73.8	18%	0.184	35%	0.345	C	S	.	.	H	α-helix	trans	-60.2	-45.3	179	-52.6	0	0	0	0	111	M206 Q357 I358 F363 E364 N365	M206-T361 HydrophobicContact CG-CG2 4.46Å; M206-T361 HydrophobicContact SD-CG2 4.13Å; Q357-T361 WeakPolarHBondContact O-CB 3.21Å; Q357-T361 PolarHBondContact O-N 3.21Å; Q357-T361 PolarHBondContact O-OG1 3.38Å; I358-T361 PolarHBondContact O-N 3.07Å; T361-F363 PolarHBondContact O-N 3.05Å; T361-E364 PolarHBondContact O-N 3.27Å; T361-N365 PolarHBondContact O-N 3.22Å
362	V	92.4	Very high	90	Very high	2 Å²	2	73.2 Å²	73.2	1%	0.012	34%	0.343	C	S	.	.	H	α-helix	trans	-60.3	-44.6	176.1	167.9	0	0	0	0	111.5	L219 V221 V239 I358 R359 Q360 E364 N365 L366	L219-V362 HydrophobicContact CD1-CG1 3.78Å; L219-V362 HydrophobicContact CD2-CB 4.45Å; L219-V362 HydrophobicContact CD2-CG1 3.64Å; L219-V362 HydrophobicContact CD2-CG2 3.96Å; L219-V362 HydrophobicContact CG-CG1 3.96Å; V221-V362 HydrophobicContact CG2-CG2 4.28Å; V239-V362 HydrophobicContact CG1-CG1 3.93Å; V239-V362 HydrophobicContact CG2-CG1 3.97Å; I358-V362 HydrophobicContact CG2-CG2 4.23Å; I358-V362 WeakPolarHBondContact O-CB 3.5Å; I358-V362 VanDerWaalsContact O-CG2 3.3Å; I358-V362 WeakPolarHBondContact O-CG2 3.44Å; I358-V362 PolarHBondContact O-N 3.32Å; R359-V362 PolarHBondContact O-N 2.8Å; Q360-V362 VanDerWaalsContact C-N 3.34Å; Q360-V362 PolarHBondContact O-N 3.01Å; V362-E364 VanDerWaalsContact C-N 3.33Å; V362-E364 PolarHBondContact O-N 3.21Å; V362-N365 PolarHBondContact O-N 3.47Å; V362-L366 HydrophobicContact CG1-CD1 4.23Å; V362-L366 WeakPolarHBondContact O-CG 3.1Å; V362-L366 PolarHBondContact O-N 2.84Å
363	F	94.5	Very high	88.4	Confident	33 Å²	33	64 Å²	64	15%	0.145	31%	0.311	C	S	.	.	H	α-helix	trans	-68.3	-32.2	178.2	-72	-0	0	0	0	112.8	P238 V239 Q242 R359 Q360 T361 L366 K367	P238-F363 HydrophobicContact CB-CZ 3.86Å; V239-F363 HydrophobicContact CG2-CE1 3.89Å; Q242-F363 HydrophobicContact CG-CE1 4.37Å; Q242-F363 VanDerWaalsContact NE2-CD2 3.32Å; Q242-F363 VanDerWaalsContact OE1-CD1 3.31Å; R359-F363 HydrophobicContact CG-CD1 4.4Å; R359-F363 HydrophobicContact CG-CD2 4.2Å; R359-F363 HydrophobicContact CG-CE1 3.96Å; R359-F363 HydrophobicContact CG-CE2 3.74Å; R359-F363 HydrophobicContact CG-CZ 3.61Å; R359-F363 WeakPolarHBondContact O-CB 3.49Å; R359-F363 WeakPolarHBondContact O-CD1 3.46Å; R359-F363 VanDerWaalsContact O-CG 3.27Å; R359-F363 WeakPolarHBondContact O-CG 3.41Å; R359-F363 PolarHBondContact O-N 3Å; Q360-F363 PolarHBondContact O-N 3.24Å; T361-F363 PolarHBondContact O-N 3.05Å; F363-L366 HydrophobicContact CD1-CD1 4.33Å; F363-K367 VanDerWaalsContact O-CG 3.26Å; F363-K367 WeakPolarHBondContact O-CG 3.43Å; F363-K367 PolarHBondContact O-N 2.81Å; F363-K367 VanDerWaalsContact O-N 3.14Å
364	E	94.6	Very high	86.6	Confident	92 Å²	92	62.4 Å²	62.4	43%	0.43	32%	0.316	S	S	.	.	H	α-helix	trans	-66.3	-43.5	172.7	-74.1	171.5	-170.2	0	0	111	Q360 T361 V362 L366 K367 M368	Q360-E364 WeakPolarHBondContact CG-OE1 3.25Å; Q360-E364 PolarHBondContact NE2-OE1 3.11Å; Q360-E364 WeakPolarHBondContact O-CG 3.2Å; Q360-E364 PolarHBondContact O-N 2.88Å; T361-E364 PolarHBondContact O-N 3.27Å; V362-E364 VanDerWaalsContact C-N 3.33Å; V362-E364 PolarHBondContact O-N 3.21Å; E364-L366 PolarHBondContact O-N 3.09Å; E364-K367 PolarHBondContact O-N 3.08Å; E364-M368 WeakPolarHBondContact O-CG 3.27Å
365	N	93.4	Very high	84.9	Confident	37 Å²	37	63.6 Å²	63.6	20%	0.198	33%	0.326	C	S	.	.	H	α-helix	trans	-60.7	-44.4	173.6	-70.4	-20.9	0	0	0	112	Y216 T361 V362 K367 M368	Y216-N365 HydrophobicContact CD1-CB 4.26Å; T361-N365 PolarHBondContact O-N 3.22Å; V362-N365 PolarHBondContact O-N 3.47Å; N365-K367 VanDerWaalsContact C-N 3.3Å; N365-K367 PolarHBondContact O-N 2.74Å; N365-M368 WeakPolarHBondContact O-CB 3.4Å; N365-M368 PolarHBondContact O-N 2.83Å
366	L	90.9	Very high	83.1	Confident	1 Å²	1	71 Å²	71	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-62.4	-34.3	178.1	-75.4	173.8	0	0	0	113.2	M188 L219 Q242 V243 Y246 V362 F363 E364 M368 L369	M188-L366 HydrophobicContact CE-CD2 3.66Å; L219-L366 HydrophobicContact CD1-CD1 4.07Å; L219-L366 HydrophobicContact CD1-CD2 3.66Å; L219-L366 HydrophobicContact CD1-CG 3.83Å; Q242-L366 HydrophobicContact CB-CD1 3.72Å; V243-L366 HydrophobicContact CG2-CD1 4.08Å; V243-L366 HydrophobicContact CG2-CD2 3.96Å; Y246-L366 HydrophobicContact CD2-CB 4.2Å; Y246-L366 HydrophobicContact CE2-CB 4.43Å; V362-L366 HydrophobicContact CG1-CD1 4.23Å; V362-L366 WeakPolarHBondContact O-CG 3.1Å; V362-L366 PolarHBondContact O-N 2.84Å; F363-L366 HydrophobicContact CD1-CD1 4.33Å; E364-L366 PolarHBondContact O-N 3.09Å; L366-M368 PolarHBondContact O-N 3.09Å; L366-L369 HydrophobicContact CD2-CD1 3.75Å; L366-L369 WeakPolarHBondContact O-CB 3.36Å; L366-L369 PolarHBondContact O-N 3.31Å
367	K	91.1	Very high	81.5	Confident	134 Å²	134	76.1 Å²	76.1	58%	0.583	39%	0.388	S	S	*	.	H	α-helix	trans	-65.9	-19.1	175.6	-73.3	167.3	-172.7	172.3	0	113.3	F363 E364 N365 L369	F363-K367 VanDerWaalsContact O-CG 3.26Å; F363-K367 WeakPolarHBondContact O-CG 3.43Å; F363-K367 PolarHBondContact O-N 2.81Å; F363-K367 VanDerWaalsContact O-N 3.14Å; E364-K367 PolarHBondContact O-N 3.08Å; N365-K367 VanDerWaalsContact C-N 3.3Å; N365-K367 PolarHBondContact O-N 2.74Å; K367-L369 VanDerWaalsContact C-N 3.3Å
368	M	90.5	Very high	79.6	Confident	109 Å²	109	74.9 Å²	74.9	54%	0.537	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-11.5	177.5	-59.1	-57.8	-62.1	0	0	112.9	Y216 E364 N365 L366 N370	Y216-M368 HydrophobicContact CD1-CB 3.85Å; Y216-M368 HydrophobicContact CD1-CG 4.34Å; Y216-M368 HydrophobicContact CD2-CB 3.6Å; Y216-M368 HydrophobicContact CE1-CB 3.81Å; Y216-M368 HydrophobicContact CE1-CG 3.87Å; Y216-M368 HydrophobicContact CE2-CB 3.56Å; Y216-M368 HydrophobicContact CE2-CE 4.39Å; Y216-M368 HydrophobicContact CE2-CG 4.15Å; Y216-M368 HydrophobicContact CG-CB 3.75Å; E364-M368 WeakPolarHBondContact O-CG 3.27Å; N365-M368 WeakPolarHBondContact O-CB 3.4Å; N365-M368 PolarHBondContact O-N 2.83Å; L366-M368 PolarHBondContact O-N 3.09Å; M368-N370 PolarHBondContact O-N 2.75Å
369	L	84.4	Confident	78	Confident	8 Å²	8	82.5 Å²	82.5	4%	0.042	42%	0.422	C	S	.	.	S	Bend	trans	-63.8	124.9	173.7	-70.7	171.7	0	0	0	110	M188 Y216 Y217 L366 K367 H371	M188-L369 HydrophobicContact CE-CD1 4.31Å; M188-L369 HydrophobicContact SD-CD1 4.32Å; Y216-L369 WeakPolarHBondContact O-CD2 3.28Å; Y217-L369 HydrophobicContact CD1-CD2 3.81Å; Y217-L369 HydrophobicContact CD2-CD2 4.03Å; Y217-L369 HydrophobicContact CE1-CD2 3.55Å; Y217-L369 HydrophobicContact CE2-CD2 3.77Å; Y217-L369 HydrophobicContact CG-CD2 4.05Å; L366-L369 HydrophobicContact CD2-CD1 3.75Å; L366-L369 WeakPolarHBondContact O-CB 3.36Å; L366-L369 PolarHBondContact O-N 3.31Å; K367-L369 VanDerWaalsContact C-N 3.3Å; L369-H371 PolarHBondContact O-N 3.18Å
370	N	66.8	Low	76.9	Confident	138 Å²	138	82.6 Å²	82.6	74%	0.738	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-60.3	125.8	158.7	-97.2	-17.4	0	0	0	107	M368 A372	M368-N370 PolarHBondContact O-N 2.75Å; N370-A372 PolarHBondContact O-N 2.97Å; N370-A372 VanDerWaalsContact O-N 3.15Å
371	H	64.8	Low	75.9	Confident	140 Å²	140	81.4 Å²	81.4	65%	0.648	43%	0.433	S	S	*	.	S	Bend	trans	-55.9	124.2	-178.6	-75	52.4	0	0	0	109.7	Y246 L369	Y246-H371 AromaticContact CD1-CE1 3.73Å; Y246-H371 AromaticContact CD1-NE2 3.75Å; Y246-H371 AromaticContact CE1-CE1 3.68Å; Y246-H371 AromaticContact CE1-NE2 3.74Å; L369-H371 PolarHBondContact O-N 3.18Å
372	A	63.4	Low	74.9	Confident	42 Å²	42	85 Å²	85	35%	0.347	46%	0.46	S	S	.	.	S	Bend	trans	40.5	86.3	175.7	0	0	0	0	0	115.2	N370 S374	N370-A372 PolarHBondContact O-N 2.97Å; N370-A372 VanDerWaalsContact O-N 3.15Å; A372-S374 PolarHBondContact O-N 3.15Å
373	P	62.9	Low	74.1	Confident	18 Å²	18	87.7 Å²	87.7	12%	0.117	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-57.6	138.5	-179.6	24.5	-34.2	0	0	0	111.9	D185 Y217	D185-P373 HydrophobicContact CB-CB 4.47Å; D185-P373 HydrophobicContact CB-CG 4.16Å; D185-P373 VanDerWaalsContact OD2-CB 3.25Å; D185-P373 WeakPolarHBondContact OD2-CB 3.47Å; Y217-P373 HydrophobicContact CE1-CG 3.96Å; Y217-P373 WeakPolarHBondContact OH-CG 3.49Å
374	S	60.1	Low	73	Confident	112 Å²	112	88.2 Å²	88.2	78%	0.783	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-75.2	127.6	176.1	55.4	0	0	0	0	110.4	A372	A372-S374 PolarHBondContact O-N 3.15Å
375	V	62.4	Low	71.8	Confident	56 Å²	56	85.2 Å²	85.2	34%	0.339	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-88.9	130.3	177.6	-174.8	0	0	0	0	109.6	P162	P162-V375 HydrophobicContact CB-CB 4.32Å; P162-V375 HydrophobicContact CB-CG2 3.5Å
376	Q	58.6	Low	70.1	Confident	175 Å²	175	88.2 Å²	88.2	82%	0.818	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-69.8	144.2	172	-69.8	-174.5	-18.8	0	0	110.7	H378	Q376-H378 PolarHBondContact O-N 3.23Å; Q376-H378 PolarHBondContact O-ND1 2.65Å
377	I	62.3	Low	68.5	Low	180 Å²	180	92 Å²	92	92%	0.923	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-62	127.9	175.2	-60.1	174.1	0	0	0	108.3
378	H	57.9	Low	66.3	Low	84 Å²	84	93 Å²	93	39%	0.389	51%	0.511	S	S	.	.			trans	-135.3	151.4	175.2	58.3	-75.8	0	0	0	109.4	R186 Q376 V380	R186-H378 PolarHBondContact NH1-CE1 2.9Å; R186-H378 PolarHBondContact NH1-NE2 3.24Å; Q376-H378 PolarHBondContact O-N 3.23Å; Q376-H378 PolarHBondContact O-ND1 2.65Å; H378-V380 PolarHBondContact O-N 2.7Å
379	D	62.5	Low	63.8	Low	160 Å²	160	98.6 Å²	98.6	86%	0.856	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-65.1	126.9	171.7	-71.6	-36.3	0	0	0	109.3	P381	D379-P381 WeakPolarHBondContact O-CD 3.44Å
380	V	70.3	Confident	61.7	Low	78 Å²	78	105.3 Å²	105.3	47%	0.473	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-82.3	120.6	179.2	-178.5	0	0	0	0	108.4	K159 H378	K159-V380 HydrophobicContact CB-CG1 3.74Å; K159-V380 HydrophobicContact CG-CG1 4.22Å; H378-V380 PolarHBondContact O-N 2.7Å
381	P	74.9	Confident	60.6	Low	80 Å²	80	105.8 Å²	105.8	52%	0.519	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-60.9	151.3	174.2	-20	31	0	0	0	111.5	D379	D379-P381 WeakPolarHBondContact O-CD 3.44Å
382	S	74.4	Confident	59.4	Low	107 Å²	107	107.7 Å²	107.7	75%	0.748	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-54.8	150.4	179.5	57.7	0	0	0	0	113.1	K159	K159-S382 PolarHBondContact NZ-O 3.24Å
383	D	76	Confident	58.4	Low	57 Å²	57	111.7 Å²	111.7	31%	0.305	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-65.5	146.1	178	-71.5	-26.4	0	0	0	112	H120 Y160	H120-D383 IonicContact CD2-OD2 2.9Å; H120-D383 IonicContact CE1-OD2 2.7Å; H120-D383 PolarHBondContact CE1-OD2 3.15Å; H120-D383 VanDerWaalsContact CE1-OD2 3.28Å; H120-D383 IonicContact NE2-OD1 2.72Å; H120-D383 IonicContact NE2-OD2 3.32Å; H120-D383 PolarHBondContact NE2-OD2 3.16Å; Y160-D383 WeakPolarHBondContact CE2-OD1 3.42Å; Y160-D383 PolarHBondContact OH-OD1 2.63Å; Y160-D383 PolarHBondContact OH-OD2 2.9Å
384	V	70.1	Confident	57.9	Low	44 Å²	44	115.3 Å²	115.3	27%	0.267	62%	0.615	S	S	.	*	S	Bend	trans	-78	-38.3	179.8	179.7	0	0	0	0	111.9	D57 R60 L112 E156	D57-V384 VanDerWaalsContact OD1-CG1 3.3Å; D57-V384 WeakPolarHBondContact OD1-CG1 3.38Å; R60-V384 VanDerWaalsContact NH1-CG2 3.29Å; L112-V384 HydrophobicContact CD2-CG1 4.07Å; E156-V384 WeakPolarHBondContact OE2-CG2 3.47Å
385	L	69.8	Low	57.6	Low	30 Å²	30	115.9 Å²	115.9	16%	0.157	62%	0.616	C	S	.	*	S	Bend	trans	-119.4	115.8	-179.6	-63	175.8	0	0	0	107.5	Y51 Q113 T116 Y387	Y51-L385 HydrophobicContact CD1-CD2 4.34Å; Y51-L385 HydrophobicContact CD2-CD2 4.28Å; Y51-L385 HydrophobicContact CG-CD2 4.19Å; Q113-L385 HydrophobicContact CB-CD1 4Å; Q113-L385 HydrophobicContact CG-CD1 3.86Å; T116-L385 HydrophobicContact CG2-CB 4.33Å; T116-L385 HydrophobicContact CG2-CD1 4.26Å; T116-L385 HydrophobicContact CG2-CG 4.39Å; L385-Y387 HydrophobicContact CB-CD2 4.47Å; L385-Y387 HydrophobicContact CB-CE2 3.97Å; L385-Y387 PolarHBondContact O-N 3.09Å
386	S	58.8	Low	57.4	Low	100 Å²	100	120 Å²	120	70%	0.699	64%	0.636	S	S	*	*			trans	-74.9	117.2	174	59.6	0	0	0	0	109.4	E388	S386-E388 VanDerWaalsContact C-N 3.33Å
387	Y	56.6	Low	57.1	Low	79 Å²	79	119.3 Å²	119.3	31%	0.31	63%	0.633	S	S	.	*			trans	-99.5	19.4	166.4	-70	-89.6	0	0	0	111.7	Q113 Q117 H120 L385 R389	Q113-Y387 WeakPolarHBondContact CG-OH 3Å; Q117-Y387 HydrophobicContact CG-CE1 4.41Å; Q117-Y387 HydrophobicContact CG-CE2 4.47Å; Q117-Y387 VanDerWaalsContact CG-OH 3.24Å; Q117-Y387 WeakPolarHBondContact CG-OH 3.28Å; Q117-Y387 PolarHBondContact NE2-OH 3.06Å; H120-Y387 AromaticContact CE1-CD2 3.83Å; H120-Y387 AromaticContact ND1-CD2 3.21Å; H120-Y387 WeakPolarHBondContact ND1-CD2 3.29Å; H120-Y387 AromaticContact ND1-CG 3.89Å; L385-Y387 HydrophobicContact CB-CD2 4.47Å; L385-Y387 HydrophobicContact CB-CE2 3.97Å; L385-Y387 PolarHBondContact O-N 3.09Å; Y387-R389 PolarHBondContact O-N 3.22Å; Y387-R389 VanDerWaalsContact O-N 3.09Å
388	E	45	Very low	56.2	Low	155 Å²	155	122.1 Å²	122.1	72%	0.724	63%	0.632	S	S	*	*			trans	-51.8	120.5	173.3	-69.3	-175.1	177	0	0	108.8	S386 N390	S386-E388 VanDerWaalsContact C-N 3.33Å; E388-N390 PolarHBondContact O-N 3.18Å
389	R	37.7	Very low	55.6	Low	227 Å²	227	120.6 Å²	120.6	86%	0.857	64%	0.64	S	S	*	*			trans	-61.3	110.4	165.8	-76.5	-177.8	-169.6	-175.8	3.2	105.4	Y387 D391	Y387-R389 PolarHBondContact O-N 3.22Å; Y387-R389 VanDerWaalsContact O-N 3.09Å; R389-D391 PolarHBondContact O-N 3.26Å
390	N	40.9	Very low	54.3	Low	150 Å²	150	117.5 Å²	117.5	80%	0.802	64%	0.636	S	S	*	*	S	Bend	trans	-68.3	50.8	168.3	-80.1	-26.7	0	0	0	111.5	E388	E388-N390 PolarHBondContact O-N 3.18Å
391	D	43.2	Very low	52.8	Low	147 Å²	147	122.5 Å²	122.5	79%	0.786	65%	0.654	S	S	*	*	S	Bend	trans	-151.8	68.5	171.9	-73.8	-46.1	0	0	0	107.1	R389	R389-D391 PolarHBondContact O-N 3.26Å
392	E	39.7	Very low	51.1	Low	181 Å²	181	127.2 Å²	127.2	85%	0.846	67%	0.669	S	S	*	*			trans	165.9	117.7	138	-85.9	-163.1	-175.4	0	0	108	D394	E392-D394 PolarHBondContact O-N 3.14Å
393	P	42.3	Very low	49.3	Very low	126 Å²	126	129.4 Å²	129.4	82%	0.818	67%	0.673	S	S	*	*			trans	-64.1	135.7	175.6	25.3	-30.9	0	0	0	110.2	P395	P393-P395 WeakPolarHBondContact O-CD 3.27Å
394	D	53.3	Low	47.3	Very low	93 Å²	93	136 Å²	136	50%	0.497	70%	0.695	S	S	.	*			trans	-56.8	119.1	173.5	-175.9	-9.4	0	0	0	109.4	E392 D396 E397	E392-D394 PolarHBondContact O-N 3.14Å; D394-D396 PolarHBondContact O-N 2.99Å; D394-D396 VanDerWaalsContact O-N 3.09Å; D394-D396 PolarHBondContact OD1-N 3.48Å; D394-E397 HydrophobicContact CB-CB 4.36Å; D394-E397 HydrophobicContact CB-CG 4.3Å; D394-E397 PolarHBondContact O-N 3.03Å
395	P	53.4	Low	45.7	Very low	124 Å²	124	140.2 Å²	140.2	81%	0.805	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	-13.2	179.1	25.3	-33.3	0	0	0	113.6	P393	P393-P395 WeakPolarHBondContact O-CD 3.27Å
396	D	57	Low	44.1	Very low	143 Å²	143	149.9 Å²	149.9	77%	0.765	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-5.4	178.6	-74.3	-28.7	0	0	0	114.2	D394 R398	D394-D396 PolarHBondContact O-N 2.99Å; D394-D396 VanDerWaalsContact O-N 3.09Å; D394-D396 PolarHBondContact OD1-N 3.48Å; D396-R398 PolarHBondContact O-N 3.22Å; D396-R398 VanDerWaalsContact O-N 3.15Å
397	E	53	Low	43	Very low	160 Å²	160	151.1 Å²	151.1	75%	0.748	76%	0.761	S	S	*	*			trans	-77.9	98.1	171	-90.5	-159.9	150.2	0	0	111.5	D394 G399	D394-E397 HydrophobicContact CB-CB 4.36Å; D394-E397 HydrophobicContact CB-CG 4.3Å; D394-E397 PolarHBondContact O-N 3.03Å; E397-G399 PolarHBondContact O-N 2.98Å; E397-G399 VanDerWaalsContact O-N 3.15Å
398	R	43.4	Very low	42.1	Very low	239 Å²	239	156.3 Å²	156.3	90%	0.902	79%	0.788	S	S	*	*			trans	-79.1	94	168.6	-66	-175.1	-173.2	-175.1	2.2	110.3	D396	D396-R398 PolarHBondContact O-N 3.22Å; D396-R398 VanDerWaalsContact O-N 3.15Å
399	G	44.4	Very low	41.7	Very low	53 Å²	53	152.5 Å²	152.5	55%	0.546	78%	0.783	S	S	.	*			trans	-61.9	161.7	167.7	0	0	0	0	0	113.3	E397	E397-G399 PolarHBondContact O-N 2.98Å; E397-G399 VanDerWaalsContact O-N 3.15Å
400	A	35.8	Very low	42	Very low	95 Å²	95	148.4 Å²	148.4	79%	0.785	78%	0.783	S	S	*	*			trans	-60.3	138.2	179.2	0	0	0	0	0	112.6	E402	A400-E402 PolarHBondContact O-N 2.68Å
401	E	40.1	Very low	42	Very low	183 Å²	183	148.3 Å²	148.3	86%	0.855	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	24.5	-169.2	-70.9	-172	149.1	0	0	117.2
402	E	38.9	Very low	41.7	Very low	179 Å²	179	148 Å²	148	84%	0.836	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.4	4.1	-176.3	-72.3	-167.8	163.7	0	0	115.9	A400	A400-E402 PolarHBondContact O-N 2.68Å
403	N	35.8	Very low	41.8	Very low	153 Å²	153	149.3 Å²	149.3	82%	0.818	78%	0.78	S	S	*	*			trans	-133.5	40.1	-178.6	-81.4	-33.2	0	0	0	115.2	T405	N403-T405 PolarHBondContact O-N 3.22Å
404	Y	34.1	Very low	41.6	Very low	195 Å²	195	152.5 Å²	152.5	77%	0.765	78%	0.777	S	S	*	*			trans	-89.7	87	168.9	-80.2	-81.9	0	0	0	111.6
405	T	37.7	Very low	41	Very low	132 Å²	132	155.7 Å²	155.7	81%	0.81	79%	0.794	S	S	*	*			trans	-86.1	110.6	155.5	-21.9	0	0	0	0	107.1	N403	N403-T405 PolarHBondContact O-N 3.22Å
406	R	34.4	Very low	40.5	Very low	233 Å²	233	152.9 Å²	152.9	88%	0.879	79%	0.788	S	S	*	*			trans	-55.5	129.4	177	-92.8	-178.9	172.2	-179.8	-3.2	110.1	E408	R406-E408 PolarHBondContact O-N 3.43Å
407	P	35.9	Very low	39.8	Very low	126 Å²	126	153.8 Å²	153.8	82%	0.818	79%	0.792	S	S	*	*			trans	-71.9	115.3	166.1	-7.8	23.8	0	0	0	108.4	A409	P407-A409 PolarHBondContact O-N 3.03Å
408	E	37.4	Very low	39.4	Very low	188 Å²	188	154.8 Å²	154.8	88%	0.879	80%	0.797	S	S	*	*			trans	-67.4	123.3	169.2	-75.4	179.2	165.2	0	0	109.3	R406	R406-E408 PolarHBondContact O-N 3.43Å
409	A	37.2	Very low	39.2	Very low	75 Å²	75	151.1 Å²	151.1	62%	0.62	80%	0.795	S	S	*	*			trans	-71.3	127.7	173.5	0	0	0	0	0	109.3	P407 N411	P407-A409 PolarHBondContact O-N 3.03Å; A409-N411 PolarHBondContact O-N 3.3Å
410	T	43.3	Very low	39.1	Very low	141 Å²	141	155 Å²	155	87%	0.865	80%	0.803	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	14.8	-172.7	37.5	0	0	0	0	116
411	N	41	Very low	39.4	Very low	148 Å²	148	158.1 Å²	158.1	79%	0.791	81%	0.807	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.6	19.3	-171.2	-77.2	-13	0	0	0	115.4	A409	A409-N411 PolarHBondContact O-N 3.3Å
412	E	38.2	Very low	39.4	Very low	141 Å²	141	158.2 Å²	158.2	66%	0.659	80%	0.804	S	S	*	*			trans	-99.3	107.8	171.1	-69.4	-172	173.8	0	0	110.9	Y414	E412-Y414 HydrophobicContact CB-CD2 4.44Å; E412-Y414 HydrophobicContact CB-CE2 4.25Å; E412-Y414 PolarHBondContact O-N 2.86Å
413	F	40.9	Very low	39.3	Very low	209 Å²	209	159 Å²	159	92%	0.917	81%	0.808	S	S	*	*			trans	-70.2	110.6	165.2	-88.8	-100.2	0	0	0	108.5
414	Y	39.6	Very low	39.3	Very low	193 Å²	193	156.8 Å²	156.8	76%	0.757	80%	0.804	S	S	*	*			trans	-87.1	113.5	165.8	-86.9	-98.5	0	0	0	109.4	E412	E412-Y414 HydrophobicContact CB-CD2 4.44Å; E412-Y414 HydrophobicContact CB-CE2 4.25Å; E412-Y414 PolarHBondContact O-N 2.86Å
415	D	40.3	Very low	39.4	Very low	160 Å²	160	154.7 Å²	154.7	86%	0.856	81%	0.807	S	S	*	*			trans	-79.5	138.4	154.3	-82.5	-36.4	0	0	0	107.6
416	G	41.6	Very low	39.4	Very low	65 Å²	65	154 Å²	154	67%	0.67	80%	0.802	S	S	*	*			trans	-72.3	178.4	-152.8	0	0	0	0	0	118.4	H418	G416-H418 PolarHBondContact O-N 3.23Å
417	D	43.5	Very low	39.5	Very low	162 Å²	162	151.4 Å²	151.4	87%	0.866	80%	0.8	S	S	*	*	S	Bend	trans	-65.2	45.4	-169.7	-68.5	-41	0	0	0	117.2
418	H	43.1	Very low	39.7	Very low	180 Å²	180	156.8 Å²	156.8	83%	0.833	82%	0.819	S	S	*	*			trans	-136.6	28.1	-178.9	-83.6	-27.9	0	0	0	116.6	G416	G416-H418 PolarHBondContact O-N 3.23Å
419	D	39.9	Very low	39.8	Very low	162 Å²	162	155.3 Å²	155.3	87%	0.866	82%	0.816	S	S	*	*			trans	-104.2	111.3	164.1	-82.3	-15.8	0	0	0	111.4
420	N	42.3	Very low	39.9	Very low	136 Å²	136	159.5 Å²	159.5	73%	0.727	83%	0.827	S	S	*	*			trans	-121.5	72.9	-164.8	-161.1	15.3	0	0	0	107.5	K422	N420-K422 PolarHBondContact O-N 3.39Å
421	D	42.8	Very low	39.7	Very low	159 Å²	159	160.5 Å²	160.5	85%	0.85	82%	0.824	S	S	*	*			trans	-88.2	85.3	179.3	-72.8	-17.3	0	0	0	110
422	K	39.1	Very low	39.6	Very low	185 Å²	185	161.2 Å²	161.2	80%	0.804	83%	0.826	S	S	*	*			trans	-92	109.2	160.5	-79.6	-174.8	176.2	179.1	0	109	N420	N420-K422 PolarHBondContact O-N 3.39Å
423	E	36.4	Very low	39.7	Very low	196 Å²	196	162.5 Å²	162.5	92%	0.916	84%	0.837	S	S	*	*			trans	-78.2	124	158.6	-76.5	-174.8	150.3	0	0	109.9
424	S	37.1	Very low	39.7	Very low	106 Å²	106	159.4 Å²	159.4	74%	0.741	83%	0.832	S	S	*	*			trans	-154.5	98.5	152.6	66.7	0	0	0	0	110.7
425	D	36.7	Very low	39.7	Very low	152 Å²	152	157 Å²	157	81%	0.813	84%	0.837	S	S	*	*			trans	38.6	119.7	136.2	-62.9	-26.5	0	0	0	123.3
426	V	35.9	Very low	39.6	Very low	118 Å²	118	156.8 Å²	156.8	72%	0.715	84%	0.835	S	S	*	*				66.9	116.4	124.7	-172.6	0	0	0	0	121.4
427	E	38.3	Very low	39.4	Very low	178 Å²	178	164.4 Å²	164.4	83%	0.832	85%	0.849	S	S	*	*			trans	29.1	131	137.1	-53.9	179	156.8	0	0	119.2
428	I	38.3	Very low	39.1	Very low	239 Å²	239	164.6 Å²	164.6	100%	1.226	85%	0.848	S	S	*	*				-150.3	0	54	-71.9	169.3	0	0	0	110.4

Retrieved 428 of 428 residues in 815.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).