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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 (O15379), UniProt , Accession A0A096MPL2, Species PAPAN (Papio anubis, Olive baboon), Gene HDAC3, Length 428 aa.

Structure Viewer

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(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	55.2	Low	91.2	Very high	239 Å²	239	51.2 Å²	51.2	100%	1.177	29%	0.29	S	S	*	.				0	142.1	0	-80.5	-172.8	-100.8	0	0	106.7
2	A	79.3	Confident	91.5	Very high	92 Å²	92	52.3 Å²	52.3	76%	0.76	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-60.7	138.9	171.1	0	0	0	0	0	108.8
3	K	89.7	Confident	91.8	Very high	46 Å²	46	48.5 Å²	48.5	20%	0.2	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-72.2	140.5	177.5	-69.9	-169	-178	179.5	0	109.9	D124 I125 K284 N287	K3-D124 WeakPolarHBondContact CA-OD2 3.35Å; K3-D124 HydrophobicContact CB-CB 4.12Å; K3-D124 HydrophobicContact CD-CB 4.39Å; K3-D124 HydrophobicContact CG-CB 4.33Å; K3-I125 HydrophobicContact CD-CD1 3.84Å; K3-I125 HydrophobicContact CD-CG1 4.24Å; K3-K284 PolarHBondContact NZ-O 3.26Å; K3-N287 WeakPolarHBondContact CE-OD1 3.36Å; K3-N287 PolarHBondContact NZ-OD1 3.44Å
4	T	97.1	Very high	92	Very high	59 Å²	59	45.3 Å²	45.3	36%	0.362	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-82.5	118.1	171.5	-58.1	0	0	0	0	108.9	I46 C123 D124 I125	T4-I46 HydrophobicContact CG2-CD1 3.79Å; T4-C123 HydrophobicContact CG2-CB 4.19Å; T4-C123 WeakPolarHBondContact O-CB 3.28Å; T4-D124 PolarHBondContact N-OD2 3.1Å; T4-D124 PolarHBondContact O-N 3.47Å; T4-I125 PolarHBondContact O-N 3.11Å
5	V	98.4	Very high	92.3	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.024	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	128.7	178.3	-175.8	0	0	0	0	109.3	M45 I46 I125 I127 V315	V5-M45 HydrophobicContact CB-CB 3.86Å; V5-M45 HydrophobicContact CG1-CB 4Å; V5-M45 HydrophobicContact CG1-SD 4.4Å; V5-M45 CarbonylContact O-C 3.26Å; V5-M45 WeakPolarHBondContact O-CA 3.49Å; V5-M45 WeakPolarHBondContact O-CB 3.19Å; V5-I46 PolarHBondContact O-N 2.88Å; V5-I125 CarbonylContact C-O 3.6Å; V5-I125 WeakPolarHBondContact CA-O 3.47Å; V5-I125 HydrophobicContact CG1-CB 4.34Å; V5-I125 HydrophobicContact CG1-CG2 4.27Å; V5-I125 HydrophobicContact CG2-CB 4.19Å; V5-I125 HydrophobicContact CG2-CD1 4.29Å; V5-I127 HydrophobicContact CG1-CD1 3.6Å; V5-I127 HydrophobicContact CG1-CG1 4.09Å; V5-V315 HydrophobicContact CB-CG1 4.17Å; V5-V315 HydrophobicContact CG1-CG1 4.12Å; V5-V315 HydrophobicContact CG2-CG1 4.1Å
6	A	98.4	Very high	92.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	135.3	169.6	0	0	0	0	0	109.5	F8 I46 F48 C123 I125 A126 I127	A6-F8 HydrophobicContact CB-CE2 3.92Å; A6-F8 HydrophobicContact CB-CZ 4.15Å; A6-I46 CarbonylContact C-O 3.55Å; A6-I46 WeakPolarHBondContact CA-O 3.48Å; A6-F48 HydrophobicContact CB-CD2 3.99Å; A6-F48 HydrophobicContact CB-CE2 3.75Å; A6-C123 HydrophobicContact CB-CB 3.78Å; A6-I125 PolarHBondContact N-O 2.97Å; A6-A126 CarbonylContact O-C 3.57Å; A6-A126 WeakPolarHBondContact O-CA 3.41Å; A6-I127 PolarHBondContact O-N 3.5Å
7	Y	98.5	Very high	92.9	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.016	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	119.5	-179.6	174	-90.8	0	0	0	109.9	Y9 H33 M45 I46 V47 F48 I127 W129	Y7-Y9 VanDerWaalsContact CE1-CB 3.49Å; Y7-Y9 HydrophobicContact CE1-CG 4.32Å; Y7-H33 AromaticContact CE1-CE1 3.85Å; Y7-H33 AromaticContact CE1-ND1 3.41Å; Y7-H33 WeakPolarHBondContact CE1-ND1 3.42Å; Y7-H33 AromaticContact CZ-ND1 3.72Å; Y7-H33 PolarHBondContact OH-ND1 2.94Å; Y7-H33 VanDerWaalsContact OH-ND1 3.16Å; Y7-M45 WeakPolarHBondContact CB-SD 3.43Å; Y7-M45 HydrophobicContact CD1-CE 4.26Å; Y7-M45 HydrophobicContact CD2-CE 3.91Å; Y7-M45 HydrophobicContact CD2-SD 4.07Å; Y7-M45 HydrophobicContact CE2-CE 4.44Å; Y7-M45 HydrophobicContact CG-CE 3.8Å; Y7-M45 HydrophobicContact CG-SD 3.9Å; Y7-I46 PolarHBondContact N-O 3.24Å; Y7-V47 HydrophobicContact CD1-CB 4.49Å; Y7-V47 HydrophobicContact CD1-CG1 4.02Å; Y7-V47 HydrophobicContact CD1-CG2 4.07Å; Y7-V47 CarbonylContact O-C 3.56Å; Y7-V47 WeakPolarHBondContact O-CA 3.45Å; Y7-F48 PolarHBondContact O-N 2.95Å; Y7-I127 HydrophobicContact CD2-CB 4.03Å; Y7-I127 HydrophobicContact CD2-CG2 3.88Å; Y7-I127 HydrophobicContact CE2-CG2 4.29Å; Y7-W129 AromaticContact CE2-CD1 3.54Å; Y7-W129 AromaticContact CE2-NE1 3.69Å
8	F	98.3	Very high	93	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.026	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	120.3	-176.1	-62.6	-85.9	0	0	0	110.2	A6 F48 P50 A110 Q113 G114 Q117 A126 I127	A6-F8 HydrophobicContact CB-CE2 3.92Å; A6-F8 HydrophobicContact CB-CZ 4.15Å; F8-F48 WeakPolarHBondContact CA-O 3.32Å; F8-F48 HydrophobicContact CD1-CB 3.63Å; F8-F48 HydrophobicContact CD1-CG 4.34Å; F8-F48 HydrophobicContact CE1-CB 3.68Å; F8-F48 AromaticContact CE1-CD2 3.96Å; F8-F48 HydrophobicContact CE1-CD2 3.96Å; F8-F48 AromaticContact CE1-CG 3.9Å; F8-F48 HydrophobicContact CE1-CG 3.9Å; F8-F48 HydrophobicContact CZ-CD2 4.14Å; F8-P50 HydrophobicContact CB-CB 4.4Å; F8-P50 HydrophobicContact CD1-CB 4.13Å; F8-A110 HydrophobicContact CB-CB 3.86Å; F8-Q113 HydrophobicContact CD1-CB 4.38Å; F8-Q113 HydrophobicContact CD1-CG 4.33Å; F8-Q113 HydrophobicContact CE1-CB 3.9Å; F8-Q113 HydrophobicContact CE1-CG 3.52Å; F8-Q113 HydrophobicContact CZ-CB 4.44Å; F8-Q113 HydrophobicContact CZ-CG 4.14Å; F8-G114 VanDerWaalsContact CE2-CA 3.46Å; F8-Q117 HydrophobicContact CZ-CG 4.39Å; F8-Q117 VanDerWaalsContact CZ-NE2 3.33Å; F8-A126 HydrophobicContact CE2-CB 3.94Å; F8-I127 WeakPolarHBondContact CD2-O 3.4Å; F8-I127 PolarHBondContact N-O 3.47Å
9	Y	97.3	Very high	93.1	Very high	41 Å²	41	47.6 Å²	47.6	16%	0.161	27%	0.266	C	S	.	.			trans	-140.4	128.8	178.3	172.2	-106	0	0	0	111.8	Y7 P11 V13 H33 F48 K49 P50	Y7-Y9 VanDerWaalsContact CE1-CB 3.49Å; Y7-Y9 HydrophobicContact CE1-CG 4.32Å; Y9-P11 HydrophobicContact CD1-CG 4.44Å; Y9-P11 HydrophobicContact CE1-CB 4.23Å; Y9-P11 HydrophobicContact CE1-CG 3.96Å; Y9-V13 HydrophobicContact CE2-CG1 4.43Å; Y9-H33 AromaticContact CD1-CD2 3.58Å; Y9-H33 AromaticContact CD1-CE1 3.42Å; Y9-H33 VanDerWaalsContact CD1-CE1 3.42Å; Y9-H33 WeakPolarHBondContact CD1-CE1 3.42Å; Y9-H33 AromaticContact CD1-CG 3.73Å; Y9-H33 AromaticContact CD1-ND1 3.65Å; Y9-H33 AromaticContact CD1-NE2 3.36Å; Y9-H33 WeakPolarHBondContact CD1-NE2 3.4Å; Y9-H33 HydrophobicContact CD2-CB 3.81Å; Y9-H33 AromaticContact CD2-CG 3.69Å; Y9-H33 AromaticContact CD2-ND1 3.83Å; Y9-H33 HydrophobicContact CE1-CB 4.38Å; Y9-H33 AromaticContact CE1-CD2 3.14Å; Y9-H33 WeakPolarHBondContact CE1-CD2 3.23Å; Y9-H33 AromaticContact CE1-CE1 3.84Å; Y9-H33 AromaticContact CE1-CG 3.6Å; Y9-H33 AromaticContact CE1-NE2 3.31Å; Y9-H33 VanDerWaalsContact CE1-NE2 3.31Å; Y9-H33 WeakPolarHBondContact CE1-NE2 3.47Å; Y9-H33 HydrophobicContact CE2-CB 3.48Å; Y9-H33 VanDerWaalsContact CE2-CB 3.48Å; Y9-H33 AromaticContact CE2-CD2 3.91Å; Y9-H33 AromaticContact CE2-CG 3.57Å; Y9-H33 HydrophobicContact CG-CB 4.38Å; Y9-H33 AromaticContact CG-CE1 3.74Å; Y9-H33 AromaticContact CG-CG 3.75Å; Y9-H33 AromaticContact CG-ND1 3.53Å; Y9-H33 AromaticContact CZ-CD2 3.32Å; Y9-H33 AromaticContact CZ-CG 3.51Å; Y9-F48 PolarHBondContact N-O 3.31Å; Y9-K49 WeakPolarHBondContact O-CA 3.49Å; Y9-P50 VanDerWaalsContact C-CD 3.47Å; Y9-P50 VanDerWaalsContact O-CD 3.24Å; Y9-P50 WeakPolarHBondContact O-CD 3.18Å
10	D	95.7	Very high	93.1	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.027	29%	0.29	C	S	.	.			trans	-107.8	120.6	171.8	-176.2	-55.1	0	0	0	109.2	D12 V13 P50 R106	D10-D12 PolarHBondContact O-N 3.08Å; D10-D12 VanDerWaalsContact O-N 3.08Å; D10-D12 WeakPolarHBondContact OD1-CB 3.19Å; D10-D12 PolarHBondContact OD1-N 3.2Å; D10-V13 HydrophobicContact CB-CB 4.25Å; D10-V13 WeakPolarHBondContact O-CB 3.15Å; D10-V13 WeakPolarHBondContact O-CG1 3.23Å; D10-V13 PolarHBondContact O-N 2.98Å; D10-P50 HydrophobicContact CB-CG 4.06Å; D10-R106 IonicContact OD1-CZ 3.7Å; D10-R106 IonicContact OD1-NH1 3.11Å; D10-R106 PolarHBondContact OD1-NH1 3.42Å; D10-R106 IonicContact OD2-CZ 3.36Å; D10-R106 IonicContact OD2-NE 3.97Å; D10-R106 IonicContact OD2-NH1 2.66Å; D10-R106 PolarHBondContact OD2-NH1 2.84Å
11	P	94.8	Very high	93.1	Very high	67 Å²	67	50.7 Å²	50.7	44%	0.435	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-25.3	-178.5	-28.3	35.6	0	0	0	115.6	Y9	Y9-P11 HydrophobicContact CD1-CG 4.44Å; Y9-P11 HydrophobicContact CE1-CB 4.23Å; Y9-P11 HydrophobicContact CE1-CG 3.96Å
12	D	95.6	Very high	95.1	Very high	64 Å²	64	40.4 Å²	40.4	34%	0.342	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-14.1	-178.5	-59.6	-44.3	0	0	0	112.9	D10 G14 N15 F16 R106	D10-D12 PolarHBondContact O-N 3.08Å; D10-D12 VanDerWaalsContact O-N 3.08Å; D10-D12 WeakPolarHBondContact OD1-CB 3.19Å; D10-D12 PolarHBondContact OD1-N 3.2Å; D12-G14 PolarHBondContact O-N 3.41Å; D12-G14 VanDerWaalsContact O-N 3.12Å; D12-N15 WeakPolarHBondContact O-CB 3.14Å; D12-N15 PolarHBondContact O-N 3.07Å; D12-F16 WeakPolarHBondContact O-CD2 3.49Å; D12-F16 WeakPolarHBondContact O-CE2 3.3Å; D12-R106 IonicContact OD2-CZ 3.1Å; D12-R106 VanDerWaalsContact OD2-CZ 3.26Å; D12-R106 IonicContact OD2-NH1 3.74Å; D12-R106 PolarHBondContact OD2-NH1 2.87Å; D12-R106 IonicContact OD2-NH2 3.87Å; D12-R106 PolarHBondContact OD2-NH2 2.9Å
13	V	94.9	Very high	95.9	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.018	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-61.2	-27.6	-173.1	81.7	0	0	0	0	112.8	Y9 D10 N15 F16 P26 L29 F103 A130	Y9-V13 HydrophobicContact CE2-CG1 4.43Å; D10-V13 HydrophobicContact CB-CB 4.25Å; D10-V13 WeakPolarHBondContact O-CB 3.15Å; D10-V13 WeakPolarHBondContact O-CG1 3.23Å; D10-V13 PolarHBondContact O-N 2.98Å; V13-N15 VanDerWaalsContact C-N 3.31Å; V13-N15 PolarHBondContact O-N 3.28Å; V13-F16 WeakPolarHBondContact O-CD2 3.38Å; V13-P26 WeakPolarHBondContact O-CB 3.12Å; V13-L29 HydrophobicContact CB-CD1 4.33Å; V13-L29 HydrophobicContact CG1-CB 3.89Å; V13-L29 HydrophobicContact CG1-CD1 3.69Å; V13-L29 HydrophobicContact CG1-CG 4.37Å; V13-L29 HydrophobicContact CG2-CD1 3.82Å; V13-F103 HydrophobicContact CG2-CD2 4.33Å; V13-F103 HydrophobicContact CG2-CE2 4.09Å; V13-A130 HydrophobicContact CG2-CB 3.81Å
14	G	94.8	Very high	96.3	Very high	4 Å²	4	35 Å²	35	4%	0.041	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-77.4	-11.6	176.7	0	0	0	0	0	114.7	D12 H27	D12-G14 PolarHBondContact O-N 3.41Å; D12-G14 VanDerWaalsContact O-N 3.12Å; G14-H27 WeakPolarHBondContact O-CA 3.4Å; G14-H27 PolarHBondContact O-N 2.8Å
15	N	96.4	Very high	96.3	Very high	117 Å²	117	34 Å²	34	63%	0.626	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-89.4	-10.9	-172.7	-64.3	-31.6	0	0	0	113.5	D12 V13	D12-N15 WeakPolarHBondContact O-CB 3.14Å; D12-N15 PolarHBondContact O-N 3.07Å; V13-N15 VanDerWaalsContact C-N 3.31Å; V13-N15 PolarHBondContact O-N 3.28Å
16	F	97.4	Very high	96.3	Very high	27 Å²	27	33.9 Å²	33.9	12%	0.118	21%	0.211	C	C	.	.			trans	-74.1	148.1	177.6	-61.4	-85.2	0	0	0	111.8	D12 V13 P26 F97 G99 E102 F103	D12-F16 WeakPolarHBondContact O-CD2 3.49Å; D12-F16 WeakPolarHBondContact O-CE2 3.3Å; V13-F16 WeakPolarHBondContact O-CD2 3.38Å; F16-P26 HydrophobicContact CB-CB 4.37Å; F16-P26 HydrophobicContact CB-CG 4.23Å; F16-P26 WeakPolarHBondContact O-CB 3.38Å; F16-P26 WeakPolarHBondContact O-CD 3.5Å; F16-P26 VanDerWaalsContact O-CG 3.32Å; F16-P26 WeakPolarHBondContact O-CG 3.09Å; F16-F97 HydrophobicContact CB-CE2 4.17Å; F16-F97 HydrophobicContact CD1-CE2 4.11Å; F16-G99 WeakPolarHBondContact CD1-O 3.4Å; F16-G99 WeakPolarHBondContact CE1-O 3.43Å; F16-E102 HydrophobicContact CE1-CB 4.1Å; F16-E102 HydrophobicContact CZ-CB 4.06Å; F16-F103 HydrophobicContact CB-CB 4.37Å; F16-F103 HydrophobicContact CB-CD2 3.82Å; F16-F103 HydrophobicContact CB-CE2 4.43Å; F16-F103 HydrophobicContact CB-CG 4.2Å; F16-F103 HydrophobicContact CD1-CB 3.66Å; F16-F103 HydrophobicContact CD1-CD2 4.43Å; F16-F103 HydrophobicContact CD1-CG 4.38Å; F16-F103 HydrophobicContact CD2-CB 4.04Å; F16-F103 AromaticContact CD2-CD2 3.44Å; F16-F103 HydrophobicContact CD2-CD2 3.44Å; F16-F103 VanDerWaalsContact CD2-CD2 3.44Å; F16-F103 HydrophobicContact CD2-CE2 4.34Å; F16-F103 HydrophobicContact CD2-CG 4.15Å; F16-F103 HydrophobicContact CE1-CB 3.83Å; F16-F103 HydrophobicContact CE2-CB 4.2Å; F16-F103 HydrophobicContact CE2-CD2 4.05Å; F16-F103 HydrophobicContact CG-CB 3.75Å; F16-F103 AromaticContact CG-CD2 3.64Å; F16-F103 HydrophobicContact CG-CD2 3.64Å; F16-F103 AromaticContact CG-CG 3.98Å; F16-F103 HydrophobicContact CG-CG 3.98Å; F16-F103 HydrophobicContact CZ-CB 4.09Å
17	H	96.6	Very high	96.2	Very high	93 Å²	93	36.4 Å²	36.4	43%	0.431	22%	0.223	S	C	.	.			trans	-145.7	110.9	-171.4	-172.7	-90.2	0	0	0	112.4	G19 A20 K25 F97	H17-G19 PolarHBondContact CE1-O 2.97Å; H17-G19 VanDerWaalsContact CE1-O 3.24Å; H17-G19 PolarHBondContact ND1-N 3.33Å; H17-G19 PolarHBondContact O-N 2.93Å; H17-A20 PolarHBondContact CE1-N 3.47Å; H17-A20 VanDerWaalsContact CE1-N 3.3Å; H17-K25 PolarHBondContact NE2-NZ 2.85Å; H17-F97 WeakPolarHBondContact O-CB 3.47Å
18	Y	96.4	Very high	96.2	Very high	8 Å²	8	36.7 Å²	36.7	3%	0.031	22%	0.224	C	C	.	.	S	Bend	trans	-65.6	-19.7	-177	-80.2	-127.4	0	0	0	113.4	H22 M24 P26 P95 F97 F103 F144 Y146	Y18-H22 VanDerWaalsContact CB-CG 3.47Å; Y18-H22 WeakPolarHBondContact CB-ND1 3.39Å; Y18-H22 AromaticContact CD1-CE1 3.41Å; Y18-H22 VanDerWaalsContact CD1-CE1 3.41Å; Y18-H22 WeakPolarHBondContact CD1-CE1 3.49Å; Y18-H22 AromaticContact CD1-ND1 3.57Å; Y18-H22 AromaticContact CD1-NE2 3.86Å; Y18-H22 AromaticContact CG-ND1 3.77Å; Y18-M24 HydrophobicContact CD1-CB 4.1Å; Y18-M24 HydrophobicContact CD1-CG 4.35Å; Y18-M24 HydrophobicContact CD2-CB 4.47Å; Y18-M24 HydrophobicContact CD2-CG 4.15Å; Y18-M24 HydrophobicContact CE1-CB 4.24Å; Y18-M24 HydrophobicContact CE1-CG 4.11Å; Y18-M24 HydrophobicContact CE2-CG 3.92Å; Y18-M24 HydrophobicContact CG-CB 4.22Å; Y18-M24 HydrophobicContact CG-CG 4.37Å; Y18-P26 HydrophobicContact CD2-CG 4.05Å; Y18-P26 HydrophobicContact CE2-CG 3.96Å; Y18-P95 HydrophobicContact CD1-CG 4.28Å; Y18-P95 WeakPolarHBondContact O-CG 3.29Å; Y18-F97 HydrophobicContact CD1-CE1 4.27Å; Y18-F97 HydrophobicContact CD2-CD1 4.2Å; Y18-F97 AromaticContact CD2-CE1 3.74Å; Y18-F97 HydrophobicContact CD2-CE1 3.74Å; Y18-F97 HydrophobicContact CD2-CZ 4.12Å; Y18-F97 HydrophobicContact CE1-CE1 4.21Å; Y18-F97 AromaticContact CE2-CE1 3.64Å; Y18-F97 HydrophobicContact CE2-CE1 3.64Å; Y18-F97 AromaticContact CE2-CZ 3.78Å; Y18-F97 HydrophobicContact CE2-CZ 3.78Å; Y18-F97 HydrophobicContact CG-CD1 4.24Å; Y18-F97 HydrophobicContact CG-CE1 4.04Å; Y18-F97 AromaticContact CZ-CE1 3.89Å; Y18-F103 HydrophobicContact CE2-CD1 4.4Å; Y18-F103 AromaticContact CE2-CE1 3.94Å; Y18-F103 HydrophobicContact CE2-CE1 3.94Å; Y18-F103 HydrophobicContact CE2-CZ 4.38Å; Y18-F103 WeakPolarHBondContact OH-CE1 3.47Å; Y18-F144 HydrophobicContact CE1-CB 4.08Å; Y18-F144 PolarHBondContact OH-O 3.11Å; Y18-Y146 AromaticContact CE1-CE2 3.66Å; Y18-Y146 HydrophobicContact CE1-CE2 3.66Å; Y18-Y146 AromaticContact CZ-CE2 3.78Å
19	G	94.5	Very high	96.2	Very high	25 Å²	25	36.8 Å²	36.8	26%	0.258	23%	0.225	S	C	.	.			trans	137.5	154.5	-174.6	0	0	0	0	0	111.3	H17 G21 H22 K25	H17-G19 PolarHBondContact CE1-O 2.97Å; H17-G19 VanDerWaalsContact CE1-O 3.24Å; H17-G19 PolarHBondContact ND1-N 3.33Å; H17-G19 PolarHBondContact O-N 2.93Å; G19-G21 PolarHBondContact O-N 2.71Å; G19-H22 WeakPolarHBondContact O-CB 3.44Å; G19-H22 PolarHBondContact O-N 3.2Å; G19-H22 VanDerWaalsContact O-N 3.15Å; G19-K25 PolarHBondContact O-NZ 3.35Å
20	A	91.7	Very high	96.2	Very high	91 Å²	91	35.2 Å²	35.2	75%	0.752	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-45.7	-169.6	0	0	0	0	0	112	H17 K25	H17-A20 PolarHBondContact CE1-N 3.47Å; H17-A20 VanDerWaalsContact CE1-N 3.3Å; A20-K25 PolarHBondContact O-NZ 2.73Å
21	G	93.3	Very high	96.3	Very high	70 Å²	70	35 Å²	35	72%	0.722	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-9.7	178.6	0	0	0	0	0	115.3	G19	G19-G21 PolarHBondContact O-N 2.71Å
22	H	97.1	Very high	96.5	Very high	22 Å²	22	31.9 Å²	31.9	10%	0.102	20%	0.199	C	C	.	.			trans	-71.4	136.4	-174.2	-163.1	-84.3	0	0	0	111.6	Y18 G19 M24 K25 D93 F144	Y18-H22 VanDerWaalsContact CB-CG 3.47Å; Y18-H22 WeakPolarHBondContact CB-ND1 3.39Å; Y18-H22 AromaticContact CD1-CE1 3.41Å; Y18-H22 VanDerWaalsContact CD1-CE1 3.41Å; Y18-H22 WeakPolarHBondContact CD1-CE1 3.49Å; Y18-H22 AromaticContact CD1-ND1 3.57Å; Y18-H22 AromaticContact CD1-NE2 3.86Å; Y18-H22 AromaticContact CG-ND1 3.77Å; G19-H22 WeakPolarHBondContact O-CB 3.44Å; G19-H22 PolarHBondContact O-N 3.2Å; G19-H22 VanDerWaalsContact O-N 3.15Å; H22-M24 VanDerWaalsContact CE1-CB 3.43Å; H22-M24 WeakPolarHBondContact CE1-CB 3.3Å; H22-M24 VanDerWaalsContact ND1-CB 3.32Å; H22-M24 WeakPolarHBondContact ND1-CB 3.47Å; H22-M24 PolarHBondContact ND1-N 2.83Å; H22-K25 WeakPolarHBondContact O-CE 3.33Å; H22-K25 PolarHBondContact O-NZ 3.49Å; H22-K25 VanDerWaalsContact O-NZ 3.13Å; H22-D93 PolarHBondContact NE2-O 3.48Å; H22-F144 AromaticContact CE1-CD1 3.26Å; H22-F144 WeakPolarHBondContact CE1-CD1 3.28Å; H22-F144 AromaticContact CE1-CE1 3.48Å; H22-F144 VanDerWaalsContact CE1-CE1 3.48Å; H22-F144 WeakPolarHBondContact CE1-CE1 3.37Å; H22-F144 AromaticContact CE1-CG 3.61Å; H22-F144 AromaticContact NE2-CD1 3.22Å; H22-F144 WeakPolarHBondContact NE2-CD1 3.38Å; H22-F144 AromaticContact NE2-CE1 3.27Å; H22-F144 VanDerWaalsContact NE2-CE1 3.27Å; H22-F144 WeakPolarHBondContact NE2-CE1 3.46Å
23	P	96.8	Very high	96.6	Very high	19 Å²	19	29.7 Å²	29.7	12%	0.123	19%	0.186	C	C	.	.	S	Bend	trans	-69.9	-36.9	-178	27	-34.9	0	0	0	113.2	K25 F144 L266 Y298	P23-K25 PolarHBondContact O-N 3.26Å; P23-F144 HydrophobicContact CG-CE1 4.21Å; P23-F144 HydrophobicContact CG-CE2 3.78Å; P23-F144 HydrophobicContact CG-CZ 3.44Å; P23-F144 VanDerWaalsContact CG-CZ 3.44Å; P23-L266 HydrophobicContact CB-CD1 3.99Å; P23-L266 HydrophobicContact CB-CD2 4.49Å; P23-L266 HydrophobicContact CB-CG 4.33Å; P23-L266 HydrophobicContact CG-CD1 3.84Å; P23-Y298 HydrophobicContact CB-CD1 3.88Å; P23-Y298 HydrophobicContact CB-CG 4.15Å; P23-Y298 HydrophobicContact CG-CD1 4.47Å
24	M	97.6	Very high	96.7	Very high	6 Å²	6	29.7 Å²	29.7	3%	0.03	19%	0.186	C	C	.	.			trans	-64.5	120.2	174.4	-175	58.7	80.4	0	0	110.9	Y18 H22 R28 F144 Y298	Y18-M24 HydrophobicContact CD1-CB 4.1Å; Y18-M24 HydrophobicContact CD1-CG 4.35Å; Y18-M24 HydrophobicContact CD2-CB 4.47Å; Y18-M24 HydrophobicContact CD2-CG 4.15Å; Y18-M24 HydrophobicContact CE1-CB 4.24Å; Y18-M24 HydrophobicContact CE1-CG 4.11Å; Y18-M24 HydrophobicContact CE2-CG 3.92Å; Y18-M24 HydrophobicContact CG-CB 4.22Å; Y18-M24 HydrophobicContact CG-CG 4.37Å; H22-M24 VanDerWaalsContact CE1-CB 3.43Å; H22-M24 WeakPolarHBondContact CE1-CB 3.3Å; H22-M24 VanDerWaalsContact ND1-CB 3.32Å; H22-M24 WeakPolarHBondContact ND1-CB 3.47Å; H22-M24 PolarHBondContact ND1-N 2.83Å; M24-R28 PolarHBondContact SD-NH2 3.11Å; M24-R28 VanDerWaalsContact SD-NH2 3.39Å; M24-F144 HydrophobicContact CB-CD2 4.36Å; M24-F144 HydrophobicContact CB-CG 4.49Å; M24-F144 HydrophobicContact CE-CB 4.28Å; M24-F144 HydrophobicContact CE-CD2 4.29Å; M24-Y298 HydrophobicContact CE-CE1 3.92Å; M24-Y298 HydrophobicContact SD-CE1 4.5Å
25	K	97.5	Very high	96.9	Very high	38 Å²	38	29.5 Å²	29.5	17%	0.165	19%	0.185	C	C	.	.			trans	-126.2	94.6	177.8	-62.2	-58.2	-176.9	-167.8	0	109.7	H17 G19 A20 H22 P23 H27 R28 V300	H17-K25 PolarHBondContact NE2-NZ 2.85Å; G19-K25 PolarHBondContact O-NZ 3.35Å; A20-K25 PolarHBondContact O-NZ 2.73Å; H22-K25 WeakPolarHBondContact O-CE 3.33Å; H22-K25 PolarHBondContact O-NZ 3.49Å; H22-K25 VanDerWaalsContact O-NZ 3.13Å; P23-K25 PolarHBondContact O-N 3.26Å; K25-H27 PolarHBondContact O-N 3.44Å; K25-R28 WeakPolarHBondContact O-CB 3.41Å; K25-R28 WeakPolarHBondContact O-CD 3.4Å; K25-R28 VanDerWaalsContact O-CG 3.24Å; K25-R28 WeakPolarHBondContact O-CG 3.49Å; K25-R28 PolarHBondContact O-N 3.28Å; K25-V300 HydrophobicContact CB-CG2 3.81Å; K25-V300 HydrophobicContact CG-CG2 4.12Å
26	P	97.7	Very high	97	Very high	2 Å²	2	24 Å²	24	1%	0.013	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-24.9	176.6	-29.4	36.9	0	0	0	114.1	V13 F16 Y18 R28 L29 F103	V13-P26 WeakPolarHBondContact O-CB 3.12Å; F16-P26 HydrophobicContact CB-CB 4.37Å; F16-P26 HydrophobicContact CB-CG 4.23Å; F16-P26 WeakPolarHBondContact O-CB 3.38Å; F16-P26 WeakPolarHBondContact O-CD 3.5Å; F16-P26 VanDerWaalsContact O-CG 3.32Å; F16-P26 WeakPolarHBondContact O-CG 3.09Å; Y18-P26 HydrophobicContact CD2-CG 4.05Å; Y18-P26 HydrophobicContact CE2-CG 3.96Å; P26-R28 PolarHBondContact O-N 3.11Å; P26-L29 WeakPolarHBondContact O-CB 3.47Å; P26-L29 VanDerWaalsContact O-CG 3.29Å; P26-L29 WeakPolarHBondContact O-CG 3.5Å; P26-L29 PolarHBondContact O-N 2.86Å; P26-F103 HydrophobicContact CB-CE2 4.13Å; P26-F103 HydrophobicContact CG-CE2 4.14Å; P26-F103 HydrophobicContact CG-CZ 4.19Å
27	H	97.4	Very high	97	Very high	52 Å²	52	25.8 Å²	25.8	24%	0.241	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-25.8	170.8	-167.9	59.4	0	0	0	114.8	G14 K25 L29 A30 L31 Y328 Y331	G14-H27 WeakPolarHBondContact O-CA 3.4Å; G14-H27 PolarHBondContact O-N 2.8Å; K25-H27 PolarHBondContact O-N 3.44Å; H27-L29 PolarHBondContact O-N 2.82Å; H27-L29 VanDerWaalsContact O-N 3.12Å; H27-A30 WeakPolarHBondContact O-CB 3.47Å; H27-A30 PolarHBondContact O-N 2.93Å; H27-L31 VanDerWaalsContact CD2-CD1 3.45Å; H27-L31 WeakPolarHBondContact CD2-CD1 3.43Å; H27-L31 VanDerWaalsContact NE2-CD1 3.32Å; H27-L31 WeakPolarHBondContact NE2-CD1 3.41Å; H27-L31 WeakPolarHBondContact O-CD1 3.33Å; H27-L31 PolarHBondContact O-N 3.19Å; H27-Y328 AromaticContact CE1-CE1 3.54Å; H27-Y328 AromaticContact CE1-CZ 3.93Å; H27-Y328 AromaticContact NE2-CE1 3.73Å; H27-Y331 AromaticContact NE2-CE1 3.97Å; H27-Y331 AromaticContact NE2-CZ 3.69Å; H27-Y331 PolarHBondContact NE2-OH 2.98Å
28	R	97.9	Very high	97.1	Very high	10 Å²	10	25.1 Å²	25.1	4%	0.038	16%	0.162	C	C	.	.	H	α-helix	trans	-54.2	-28.4	171.3	72.1	-163.2	176.1	144.6	7.9	113.2	M24 K25 P26 T32 G295 G296 G297 V300 V303 W307	M24-R28 PolarHBondContact SD-NH2 3.11Å; M24-R28 VanDerWaalsContact SD-NH2 3.39Å; K25-R28 WeakPolarHBondContact O-CB 3.41Å; K25-R28 WeakPolarHBondContact O-CD 3.4Å; K25-R28 VanDerWaalsContact O-CG 3.24Å; K25-R28 WeakPolarHBondContact O-CG 3.49Å; K25-R28 PolarHBondContact O-N 3.28Å; P26-R28 PolarHBondContact O-N 3.11Å; R28-T32 WeakPolarHBondContact O-CB 3.25Å; R28-T32 PolarHBondContact O-N 3.1Å; R28-T32 PolarHBondContact O-OG1 3.27Å; R28-G295 VanDerWaalsContact CZ-O 3.28Å; R28-G295 PolarHBondContact NH1-O 2.97Å; R28-G295 PolarHBondContact NH2-O 3.45Å; R28-G296 VanDerWaalsContact NH1-C 3.25Å; R28-G296 PolarHBondContact NH1-O 3.38Å; R28-G297 PolarHBondContact NH1-O 3.48Å; R28-V300 HydrophobicContact CB-CB 4.4Å; R28-V300 HydrophobicContact CB-CG1 3.76Å; R28-V303 HydrophobicContact CB-CB 4.4Å; R28-V303 HydrophobicContact CB-CG1 4.36Å; R28-V303 HydrophobicContact CG-CG1 4.23Å; R28-W307 HydrophobicContact CG-CZ3 4.24Å
29	L	98.2	Very high	97.2	Very high	9 Å²	9	26.3 Å²	26.3	5%	0.047	17%	0.167	C	C	.	.	H	α-helix	trans	-70.1	-38.4	176.8	-60.5	167.4	0	0	0	112.1	V13 P26 H27 T32 H33 W129 A130 W307	V13-L29 HydrophobicContact CB-CD1 4.33Å; V13-L29 HydrophobicContact CG1-CB 3.89Å; V13-L29 HydrophobicContact CG1-CD1 3.69Å; V13-L29 HydrophobicContact CG1-CG 4.37Å; V13-L29 HydrophobicContact CG2-CD1 3.82Å; P26-L29 WeakPolarHBondContact O-CB 3.47Å; P26-L29 VanDerWaalsContact O-CG 3.29Å; P26-L29 WeakPolarHBondContact O-CG 3.5Å; P26-L29 PolarHBondContact O-N 2.86Å; H27-L29 PolarHBondContact O-N 2.82Å; H27-L29 VanDerWaalsContact O-N 3.12Å; L29-T32 PolarHBondContact O-N 3.45Å; L29-H33 WeakPolarHBondContact O-CB 3.25Å; L29-H33 PolarHBondContact O-N 2.68Å; L29-W129 VanDerWaalsContact CD2-C 3.49Å; L29-W129 HydrophobicContact CD2-CB 4.1Å; L29-W129 VanDerWaalsContact CD2-O 3.24Å; L29-W129 WeakPolarHBondContact CD2-O 3.4Å; L29-A130 HydrophobicContact CD1-CB 3.79Å; L29-A130 HydrophobicContact CD2-CB 4.11Å; L29-W307 HydrophobicContact CD2-CE3 4.4Å; L29-W307 HydrophobicContact CD2-CH2 4.41Å; L29-W307 HydrophobicContact CD2-CZ3 3.61Å
30	A	97.8	Very high	97.3	Very high	8 Å²	8	26.1 Å²	26.1	7%	0.066	17%	0.165	C	C	.	.	H	α-helix	trans	-66.5	-43.1	175.2	0	0	0	0	0	111.2	H27 T32 H33 S34 Y328	H27-A30 WeakPolarHBondContact O-CB 3.47Å; H27-A30 PolarHBondContact O-N 2.93Å; A30-T32 PolarHBondContact O-N 2.85Å; A30-H33 PolarHBondContact O-N 2.96Å; A30-S34 WeakPolarHBondContact O-CB 3.48Å; A30-S34 PolarHBondContact O-N 3.23Å; A30-Y328 HydrophobicContact CB-CE2 4.23Å
31	L	98.1	Very high	97.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.5	-42.6	174.8	-85.5	71.5	0	0	0	112	H27 S34 L35 V300 A304 Y328 Y331 F332	H27-L31 VanDerWaalsContact CD2-CD1 3.45Å; H27-L31 WeakPolarHBondContact CD2-CD1 3.43Å; H27-L31 VanDerWaalsContact NE2-CD1 3.32Å; H27-L31 WeakPolarHBondContact NE2-CD1 3.41Å; H27-L31 WeakPolarHBondContact O-CD1 3.33Å; H27-L31 PolarHBondContact O-N 3.19Å; L31-S34 PolarHBondContact O-N 3.49Å; L31-L35 PolarHBondContact O-N 3.18Å; L31-V300 HydrophobicContact CD2-CG1 3.87Å; L31-A304 HydrophobicContact CB-CB 3.63Å; L31-Y328 HydrophobicContact CD1-CD1 3.79Å; L31-Y328 HydrophobicContact CD1-CD2 4.1Å; L31-Y328 HydrophobicContact CD1-CE1 4.1Å; L31-Y328 HydrophobicContact CD1-CE2 4.36Å; L31-Y328 HydrophobicContact CD1-CG 3.81Å; L31-Y328 HydrophobicContact CG-CD1 4.26Å; L31-Y328 HydrophobicContact CG-CD2 4.05Å; L31-Y328 HydrophobicContact CG-CG 3.79Å; L31-Y331 HydrophobicContact CD2-CD1 3.84Å; L31-Y331 HydrophobicContact CD2-CG 3.88Å; L31-F332 HydrophobicContact CB-CZ 4.49Å; L31-F332 HydrophobicContact CD2-CZ 4.12Å
32	T	98.5	Very high	97.8	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.006	11%	0.107	C	C	.	.	H	α-helix	trans	-60	-50.2	176.5	-55	0	0	0	0	110.5	R28 L29 A30 S34 L35 V36 W129 A304 W307	R28-T32 WeakPolarHBondContact O-CB 3.25Å; R28-T32 PolarHBondContact O-N 3.1Å; R28-T32 PolarHBondContact O-OG1 3.27Å; L29-T32 PolarHBondContact O-N 3.45Å; A30-T32 PolarHBondContact O-N 2.85Å; T32-S34 PolarHBondContact O-N 3.25Å; T32-L35 PolarHBondContact O-N 3.04Å; T32-V36 WeakPolarHBondContact O-CG2 3.44Å; T32-V36 PolarHBondContact O-N 3.22Å; T32-W129 HydrophobicContact CG2-CG 4.39Å; T32-A304 WeakPolarHBondContact OG1-CA 3.27Å; T32-W307 HydrophobicContact CG2-CB 3.6Å; T32-W307 HydrophobicContact CG2-CE3 4.3Å
33	H	98.1	Very high	97.8	Very high	19 Å²	19	24 Å²	24	9%	0.088	12%	0.117	C	C	.	.	H	α-helix	trans	-62.6	-43.1	179.8	-173.3	64	0	0	0	112.1	Y7 Y9 L29 A30 L35 V36 L37	Y7-H33 AromaticContact CE1-CE1 3.85Å; Y7-H33 AromaticContact CE1-ND1 3.41Å; Y7-H33 WeakPolarHBondContact CE1-ND1 3.42Å; Y7-H33 AromaticContact CZ-ND1 3.72Å; Y7-H33 PolarHBondContact OH-ND1 2.94Å; Y7-H33 VanDerWaalsContact OH-ND1 3.16Å; Y9-H33 AromaticContact CD1-CD2 3.58Å; Y9-H33 AromaticContact CD1-CE1 3.42Å; Y9-H33 VanDerWaalsContact CD1-CE1 3.42Å; Y9-H33 WeakPolarHBondContact CD1-CE1 3.42Å; Y9-H33 AromaticContact CD1-CG 3.73Å; Y9-H33 AromaticContact CD1-ND1 3.65Å; Y9-H33 AromaticContact CD1-NE2 3.36Å; Y9-H33 WeakPolarHBondContact CD1-NE2 3.4Å; Y9-H33 HydrophobicContact CD2-CB 3.81Å; Y9-H33 AromaticContact CD2-CG 3.69Å; Y9-H33 AromaticContact CD2-ND1 3.83Å; Y9-H33 HydrophobicContact CE1-CB 4.38Å; Y9-H33 AromaticContact CE1-CD2 3.14Å; Y9-H33 WeakPolarHBondContact CE1-CD2 3.23Å; Y9-H33 AromaticContact CE1-CE1 3.84Å; Y9-H33 AromaticContact CE1-CG 3.6Å; Y9-H33 AromaticContact CE1-NE2 3.31Å; Y9-H33 VanDerWaalsContact CE1-NE2 3.31Å; Y9-H33 WeakPolarHBondContact CE1-NE2 3.47Å; Y9-H33 HydrophobicContact CE2-CB 3.48Å; Y9-H33 VanDerWaalsContact CE2-CB 3.48Å; Y9-H33 AromaticContact CE2-CD2 3.91Å; Y9-H33 AromaticContact CE2-CG 3.57Å; Y9-H33 HydrophobicContact CG-CB 4.38Å; Y9-H33 AromaticContact CG-CE1 3.74Å; Y9-H33 AromaticContact CG-CG 3.75Å; Y9-H33 AromaticContact CG-ND1 3.53Å; Y9-H33 AromaticContact CZ-CD2 3.32Å; Y9-H33 AromaticContact CZ-CG 3.51Å; L29-H33 WeakPolarHBondContact O-CB 3.25Å; L29-H33 PolarHBondContact O-N 2.68Å; A30-H33 PolarHBondContact O-N 2.96Å; H33-L35 VanDerWaalsContact C-N 3.34Å; H33-L35 PolarHBondContact O-N 3.03Å; H33-V36 WeakPolarHBondContact O-CB 3.06Å; H33-V36 PolarHBondContact O-N 3.32Å; H33-V36 VanDerWaalsContact O-N 3.16Å; H33-L37 WeakPolarHBondContact NE2-CD1 3.48Å; H33-L37 WeakPolarHBondContact O-CG 3.36Å; H33-L37 PolarHBondContact O-N 3.13Å
34	S	97.9	Very high	97.8	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.014	13%	0.129	C	C	.	.	H	α-helix	trans	-56.6	-46.6	175.8	-176.5	0	0	0	0	111.6	A30 L31 T32 L37 H38 S326 E327	A30-S34 WeakPolarHBondContact O-CB 3.48Å; A30-S34 PolarHBondContact O-N 3.23Å; L31-S34 PolarHBondContact O-N 3.49Å; T32-S34 PolarHBondContact O-N 3.25Å; S34-L37 PolarHBondContact O-N 3.46Å; S34-H38 WeakPolarHBondContact O-CB 3.26Å; S34-H38 PolarHBondContact O-N 2.95Å; S34-H38 PolarHBondContact O-ND1 3Å; S34-H38 PolarHBondContact OG-ND1 2.88Å; S34-S326 WeakPolarHBondContact OG-CB 3.49Å; S34-E327 WeakPolarHBondContact CB-OE1 3.03Å; S34-E327 PolarHBondContact OG-OE1 2.81Å; S34-E327 PolarHBondContact OG-OE2 2.84Å
35	L	98.4	Very high	97.8	Very high	1 Å²	1	27 Å²	27	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-63	-44.6	175	-73.9	-178.1	0	0	0	112.3	L31 T32 H33 L37 H38 Y39 A304 T308 L323 F332	L31-L35 PolarHBondContact O-N 3.18Å; T32-L35 PolarHBondContact O-N 3.04Å; H33-L35 VanDerWaalsContact C-N 3.34Å; H33-L35 PolarHBondContact O-N 3.03Å; L35-L37 VanDerWaalsContact C-N 3.25Å; L35-L37 PolarHBondContact O-N 2.98Å; L35-H38 PolarHBondContact O-N 3.46Å; L35-Y39 HydrophobicContact CB-CD2 4.37Å; L35-Y39 HydrophobicContact CD2-CE2 4.31Å; L35-Y39 WeakPolarHBondContact O-CB 3.42Å; L35-Y39 VanDerWaalsContact O-CD2 3.31Å; L35-Y39 WeakPolarHBondContact O-CD2 3.23Å; L35-Y39 PolarHBondContact O-N 2.91Å; L35-A304 HydrophobicContact CD1-CB 4.2Å; L35-T308 HydrophobicContact CB-CG2 3.8Å; L35-T308 WeakPolarHBondContact CB-OG1 3.39Å; L35-T308 WeakPolarHBondContact CD1-OG1 3.19Å; L35-L323 HydrophobicContact CD1-CD2 4.45Å; L35-L323 HydrophobicContact CD2-CD2 4.05Å; L35-F332 HydrophobicContact CD1-CE1 3.9Å; L35-F332 HydrophobicContact CD1-CE2 4.41Å; L35-F332 HydrophobicContact CD1-CZ 3.58Å; L35-F332 HydrophobicContact CD2-CE2 4.14Å; L35-F332 HydrophobicContact CD2-CZ 4.12Å; L35-F332 HydrophobicContact CG-CE2 4.35Å; L35-F332 HydrophobicContact CG-CZ 3.9Å
36	V	98.4	Very high	97.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-55.7	-40.5	175.7	164.4	0	0	0	0	111.9	T32 H33 L41 M45 T311	T32-V36 WeakPolarHBondContact O-CG2 3.44Å; T32-V36 PolarHBondContact O-N 3.22Å; H33-V36 WeakPolarHBondContact O-CB 3.06Å; H33-V36 PolarHBondContact O-N 3.32Å; H33-V36 VanDerWaalsContact O-N 3.16Å; V36-L41 HydrophobicContact CG1-CB 4.15Å; V36-L41 HydrophobicContact CG2-CD1 4.45Å; V36-L41 PolarHBondContact O-N 2.8Å; V36-L41 VanDerWaalsContact O-N 3.07Å; V36-M45 HydrophobicContact CG1-CE 3.3Å; V36-T311 HydrophobicContact CG1-CG2 4.49Å; V36-T311 HydrophobicContact CG2-CG2 4.12Å
37	L	97.6	Very high	97.7	Very high	66 Å²	66	27.6 Å²	27.6	35%	0.346	13%	0.134	S	C	.	.	H	α-helix	trans	-67	-52	175.3	-69.3	-179.3	0	0	0	111.8	H33 S34 L35 Y39 G40 Y42	H33-L37 WeakPolarHBondContact NE2-CD1 3.48Å; H33-L37 WeakPolarHBondContact O-CG 3.36Å; H33-L37 PolarHBondContact O-N 3.13Å; S34-L37 PolarHBondContact O-N 3.46Å; L35-L37 VanDerWaalsContact C-N 3.25Å; L35-L37 PolarHBondContact O-N 2.98Å; L37-Y39 VanDerWaalsContact C-N 3.33Å; L37-Y39 PolarHBondContact O-N 3.16Å; L37-G40 WeakPolarHBondContact O-CA 3.4Å; L37-G40 PolarHBondContact O-N 2.78Å; L37-Y42 HydrophobicContact CD2-CD1 3.88Å; L37-Y42 HydrophobicContact CD2-CG 3.91Å
38	H	98.2	Very high	97.7	Very high	79 Å²	79	26.2 Å²	26.2	37%	0.366	13%	0.127	S	C	.	.	H	α-helix	trans	-73.2	-22.3	-173	-70.1	88.5	0	0	0	113.6	S34 L35 G40 P324 Y325 S326 E327	S34-H38 WeakPolarHBondContact O-CB 3.26Å; S34-H38 PolarHBondContact O-N 2.95Å; S34-H38 PolarHBondContact O-ND1 3Å; S34-H38 PolarHBondContact OG-ND1 2.88Å; L35-H38 PolarHBondContact O-N 3.46Å; H38-G40 VanDerWaalsContact C-N 3.26Å; H38-P324 HydrophobicContact CB-CB 3.83Å; H38-P324 HydrophobicContact CB-CG 3.49Å; H38-P324 VanDerWaalsContact CB-CG 3.49Å; H38-Y325 PolarHBondContact CD2-O 3.4Å; H38-S326 VanDerWaalsContact CE1-CB 3.45Å; H38-S326 WeakPolarHBondContact CE1-CB 3.48Å; H38-E327 IonicContact CE1-OE2 2.71Å; H38-E327 PolarHBondContact CE1-OE2 2.66Å; H38-E327 IonicContact NE2-OE2 3.82Å
39	Y	98.3	Very high	97.6	Very high	33 Å²	33	30.9 Å²	30.9	13%	0.129	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-6.4	166.5	-84.1	-69.2	0	0	0	113.4	L35 L37 L41 T308 I319 S320 E322 L323 P324 L338	L35-Y39 HydrophobicContact CB-CD2 4.37Å; L35-Y39 HydrophobicContact CD2-CE2 4.31Å; L35-Y39 WeakPolarHBondContact O-CB 3.42Å; L35-Y39 VanDerWaalsContact O-CD2 3.31Å; L35-Y39 WeakPolarHBondContact O-CD2 3.23Å; L35-Y39 PolarHBondContact O-N 2.91Å; L37-Y39 VanDerWaalsContact C-N 3.33Å; L37-Y39 PolarHBondContact O-N 3.16Å; Y39-L41 PolarHBondContact O-N 3.2Å; Y39-T308 HydrophobicContact CD2-CG2 3.61Å; Y39-T308 HydrophobicContact CE2-CG2 3.95Å; Y39-I319 HydrophobicContact CD1-CB 3.77Å; Y39-I319 HydrophobicContact CD1-CD1 4.27Å; Y39-I319 HydrophobicContact CD1-CG2 4.06Å; Y39-I319 HydrophobicContact CD2-CD1 4.42Å; Y39-I319 HydrophobicContact CE1-CB 3.99Å; Y39-I319 HydrophobicContact CE1-CD1 4.32Å; Y39-I319 HydrophobicContact CE2-CD1 4.46Å; Y39-I319 HydrophobicContact CG-CB 4.45Å; Y39-I319 HydrophobicContact CG-CD1 4.31Å; Y39-I319 HydrophobicContact CG-CG2 4.43Å; Y39-S320 WeakPolarHBondContact CE1-O 3.16Å; Y39-S320 PolarHBondContact OH-O 2.98Å; Y39-E322 PolarHBondContact OH-O 3.06Å; Y39-L323 HydrophobicContact CE2-CD2 4.16Å; Y39-L323 WeakPolarHBondContact OH-CD2 3.41Å; Y39-P324 HydrophobicContact CD1-CG 4.41Å; Y39-P324 HydrophobicContact CD2-CG 4.01Å; Y39-P324 HydrophobicContact CE1-CG 4.47Å; Y39-P324 VanDerWaalsContact CE2-CD 3.43Å; Y39-P324 HydrophobicContact CE2-CG 4.07Å; Y39-P324 HydrophobicContact CG-CG 4.19Å; Y39-L338 HydrophobicContact CE2-CD1 4.23Å
40	G	97.8	Very high	97.2	Very high	20 Å²	20	30.9 Å²	30.9	21%	0.206	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	12	-177.9	0	0	0	0	0	114.4	L37 H38 Y42 K43	L37-G40 WeakPolarHBondContact O-CA 3.4Å; L37-G40 PolarHBondContact O-N 2.78Å; H38-G40 VanDerWaalsContact C-N 3.26Å; G40-Y42 PolarHBondContact O-N 3.35Å; G40-K43 VanDerWaalsContact O-CB 3.29Å; G40-K43 WeakPolarHBondContact O-CB 3.22Å; G40-K43 WeakPolarHBondContact O-CG 3.24Å; G40-K43 PolarHBondContact O-N 3.07Å; G40-K43 VanDerWaalsContact O-N 3.11Å
41	L	98.1	Very high	97	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-63	-31.2	-178.6	-65.8	178.1	0	0	0	112.1	V36 Y39 K43 K44 M45 T308 T311 V315 E317 I319	V36-L41 HydrophobicContact CG1-CB 4.15Å; V36-L41 HydrophobicContact CG2-CD1 4.45Å; V36-L41 PolarHBondContact O-N 2.8Å; V36-L41 VanDerWaalsContact O-N 3.07Å; Y39-L41 PolarHBondContact O-N 3.2Å; L41-K43 PolarHBondContact O-N 3.02Å; L41-K43 VanDerWaalsContact O-N 3.11Å; L41-K44 WeakPolarHBondContact O-CB 3.44Å; L41-K44 PolarHBondContact O-N 2.91Å; L41-M45 HydrophobicContact CB-CE 4.27Å; L41-T308 HydrophobicContact CD1-CG2 4.14Å; L41-T311 HydrophobicContact CB-CG2 4.3Å; L41-T311 HydrophobicContact CD1-CG2 3.94Å; L41-V315 HydrophobicContact CD2-CG2 3.86Å; L41-E317 HydrophobicContact CD2-CB 3.84Å; L41-E317 HydrophobicContact CD2-CG 4.1Å; L41-I319 HydrophobicContact CD2-CG2 3.68Å; L41-I319 HydrophobicContact CG-CG2 4.38Å
42	Y	96.4	Very high	97	Very high	66 Å²	66	37.5 Å²	37.5	26%	0.259	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-56.9	-26.4	176.4	80.9	-86	0	0	0	112.9	L37 G40 K44 M45	L37-Y42 HydrophobicContact CD2-CD1 3.88Å; L37-Y42 HydrophobicContact CD2-CG 3.91Å; G40-Y42 PolarHBondContact O-N 3.35Å; Y42-K44 PolarHBondContact O-N 3.4Å; Y42-M45 PolarHBondContact O-N 2.83Å
43	K	96.7	Very high	96.9	Very high	72 Å²	72	37.5 Å²	37.5	31%	0.313	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-70.6	-13.4	178	-57.7	179	169.2	-143.8	0	113.1	G40 L41 P407 E408	G40-K43 VanDerWaalsContact O-CB 3.29Å; G40-K43 WeakPolarHBondContact O-CB 3.22Å; G40-K43 WeakPolarHBondContact O-CG 3.24Å; G40-K43 PolarHBondContact O-N 3.07Å; G40-K43 VanDerWaalsContact O-N 3.11Å; L41-K43 PolarHBondContact O-N 3.02Å; L41-K43 VanDerWaalsContact O-N 3.11Å; K43-P407 VanDerWaalsContact O-CA 3.23Å; K43-P407 WeakPolarHBondContact O-CA 3.34Å; K43-P407 VanDerWaalsContact O-CB 3.3Å; K43-P407 WeakPolarHBondContact O-CB 3.14Å; K43-E408 HydrophobicContact CB-CB 4.36Å; K43-E408 WeakPolarHBondContact CD-OE2 3.4Å; K43-E408 WeakPolarHBondContact CE-OE1 3.34Å; K43-E408 WeakPolarHBondContact CE-OE2 3.49Å; K43-E408 HydrophobicContact CG-CG 4.38Å; K43-E408 IonicContact NZ-OE1 2.71Å; K43-E408 PolarHBondContact NZ-OE1 2.99Å; K43-E408 IonicContact NZ-OE2 3.55Å; K43-E408 PolarHBondContact NZ-OE2 3.11Å; K43-E408 PolarHBondContact O-N 3.39Å
44	K	96.9	Very high	96.9	Very high	88 Å²	88	39 Å²	39	38%	0.383	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-104.8	3.4	-176.6	-53.7	-61.1	-179	168.1	0	113.2	L41 Y42 V315 E317	L41-K44 WeakPolarHBondContact O-CB 3.44Å; L41-K44 PolarHBondContact O-N 2.91Å; Y42-K44 PolarHBondContact O-N 3.4Å; K44-V315 HydrophobicContact CB-CB 3.85Å; K44-V315 HydrophobicContact CB-CG1 4.23Å; K44-V315 HydrophobicContact CB-CG2 4.06Å; K44-E317 WeakPolarHBondContact CE-OE2 3.46Å; K44-E317 IonicContact NZ-OE2 2.85Å
45	M	97.3	Very high	96.9	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	20%	0.203	C	C	.	.	S	Bend	trans	-145.8	163.2	-175.8	56.9	-170.2	173.3	0	0	110.8	V5 Y7 V36 L41 Y42 V47 T311 V315	V5-M45 HydrophobicContact CB-CB 3.86Å; V5-M45 HydrophobicContact CG1-CB 4Å; V5-M45 HydrophobicContact CG1-SD 4.4Å; V5-M45 CarbonylContact O-C 3.26Å; V5-M45 WeakPolarHBondContact O-CA 3.49Å; V5-M45 WeakPolarHBondContact O-CB 3.19Å; Y7-M45 WeakPolarHBondContact CB-SD 3.43Å; Y7-M45 HydrophobicContact CD1-CE 4.26Å; Y7-M45 HydrophobicContact CD2-CE 3.91Å; Y7-M45 HydrophobicContact CD2-SD 4.07Å; Y7-M45 HydrophobicContact CE2-CE 4.44Å; Y7-M45 HydrophobicContact CG-CE 3.8Å; Y7-M45 HydrophobicContact CG-SD 3.9Å; V36-M45 HydrophobicContact CG1-CE 3.3Å; L41-M45 HydrophobicContact CB-CE 4.27Å; Y42-M45 PolarHBondContact O-N 2.83Å; M45-V47 HydrophobicContact CG-CG2 4.44Å; M45-T311 HydrophobicContact CE-CG2 3.68Å; M45-T311 HydrophobicContact SD-CG2 3.94Å; M45-V315 HydrophobicContact CB-CG1 4.11Å; M45-V315 HydrophobicContact CG-CG1 4.42Å; M45-V315 HydrophobicContact SD-CG1 3.99Å
46	I	97.2	Very high	96.8	Very high	30 Å²	30	48.8 Å²	48.8	15%	0.154	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	113.8	174.7	-52.2	167.2	0	0	0	106.9	T4 V5 A6 Y7 F48 Y404 S405 P407	T4-I46 HydrophobicContact CG2-CD1 3.79Å; V5-I46 PolarHBondContact O-N 2.88Å; A6-I46 CarbonylContact C-O 3.55Å; A6-I46 WeakPolarHBondContact CA-O 3.48Å; Y7-I46 PolarHBondContact N-O 3.24Å; I46-F48 HydrophobicContact CB-CD2 4.42Å; I46-F48 HydrophobicContact CB-CE2 3.72Å; I46-F48 HydrophobicContact CB-CZ 4.21Å; I46-F48 HydrophobicContact CG2-CD2 4.01Å; I46-F48 HydrophobicContact CG2-CE1 4.14Å; I46-F48 HydrophobicContact CG2-CE2 3.31Å; I46-F48 HydrophobicContact CG2-CZ 3.39Å; I46-Y404 HydrophobicContact CG2-CD2 3.81Å; I46-Y404 HydrophobicContact CG2-CG 4.3Å; I46-S405 WeakPolarHBondContact CG2-O 3.27Å; I46-P407 HydrophobicContact CG1-CG 4.13Å
47	V	97.2	Very high	96.8	Very high	23 Å²	23	49 Å²	49	14%	0.139	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	123.6	178.1	177.9	0	0	0	0	108.9	Y7 M45 Y404 S405	Y7-V47 HydrophobicContact CD1-CB 4.49Å; Y7-V47 HydrophobicContact CD1-CG1 4.02Å; Y7-V47 HydrophobicContact CD1-CG2 4.07Å; Y7-V47 CarbonylContact O-C 3.56Å; Y7-V47 WeakPolarHBondContact O-CA 3.45Å; M45-V47 HydrophobicContact CG-CG2 4.44Å; V47-Y404 CarbonylContact O-C 3.53Å; V47-Y404 WeakPolarHBondContact O-CA 3.27Å; V47-Y404 VanDerWaalsContact O-CB 3.25Å; V47-Y404 WeakPolarHBondContact O-CB 3.46Å; V47-S405 WeakPolarHBondContact CB-OG 3.47Å; V47-S405 PolarHBondContact N-O 3.48Å; V47-S405 PolarHBondContact O-N 2.88Å; V47-S405 VanDerWaalsContact O-N 3.1Å
48	F	96	Very high	96.8	Very high	22 Å²	22	45.9 Å²	45.9	10%	0.096	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	137	176.8	-68.5	-85.8	0	0	0	110.5	A6 Y7 F8 Y9 I46 P50 Y404	A6-F48 HydrophobicContact CB-CD2 3.99Å; A6-F48 HydrophobicContact CB-CE2 3.75Å; Y7-F48 PolarHBondContact O-N 2.95Å; F8-F48 WeakPolarHBondContact CA-O 3.32Å; F8-F48 HydrophobicContact CD1-CB 3.63Å; F8-F48 HydrophobicContact CD1-CG 4.34Å; F8-F48 HydrophobicContact CE1-CB 3.68Å; F8-F48 AromaticContact CE1-CD2 3.96Å; F8-F48 HydrophobicContact CE1-CD2 3.96Å; F8-F48 AromaticContact CE1-CG 3.9Å; F8-F48 HydrophobicContact CE1-CG 3.9Å; F8-F48 HydrophobicContact CZ-CD2 4.14Å; Y9-F48 PolarHBondContact N-O 3.31Å; I46-F48 HydrophobicContact CB-CD2 4.42Å; I46-F48 HydrophobicContact CB-CE2 3.72Å; I46-F48 HydrophobicContact CB-CZ 4.21Å; I46-F48 HydrophobicContact CG2-CD2 4.01Å; I46-F48 HydrophobicContact CG2-CE1 4.14Å; I46-F48 HydrophobicContact CG2-CE2 3.31Å; I46-F48 HydrophobicContact CG2-CZ 3.39Å; F48-P50 WeakPolarHBondContact O-CD 3.48Å; F48-Y404 HydrophobicContact CD1-CG 4.29Å; F48-Y404 HydrophobicContact CE1-CD1 4.18Å; F48-Y404 AromaticContact CE1-CG 3.91Å; F48-Y404 HydrophobicContact CE1-CG 3.91Å
49	K	95.8	Very high	96.8	Very high	108 Å²	108	43.7 Å²	43.7	47%	0.47	21%	0.212	S	C	.	.			trans	-79.3	115.1	156.3	-175.6	175.7	178.4	178.6	0	108	Y9 N403	Y9-K49 WeakPolarHBondContact O-CA 3.49Å; K49-N403 PolarHBondContact N-O 3.18Å
50	P	90.6	Very high	96.8	Very high	9 Å²	9	45.5 Å²	45.5	6%	0.058	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-71.3	153.2	-175.1	30.1	-34.7	0	0	0	111.4	F8 Y9 D10 F48 A110	F8-P50 HydrophobicContact CB-CB 4.4Å; F8-P50 HydrophobicContact CD1-CB 4.13Å; Y9-P50 VanDerWaalsContact C-CD 3.47Å; Y9-P50 VanDerWaalsContact O-CD 3.24Å; Y9-P50 WeakPolarHBondContact O-CD 3.18Å; D10-P50 HydrophobicContact CB-CG 4.06Å; F48-P50 WeakPolarHBondContact O-CD 3.48Å; P50-A110 HydrophobicContact CB-CB 3.67Å; P50-A110 HydrophobicContact CG-CB 3.82Å
51	Y	93.6	Very high	96.8	Very high	56 Å²	56	45.6 Å²	45.6	22%	0.22	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-70.3	162.6	166.3	89	-74.1	0	0	0	110.6	D57 G109 L112 Q113 L384 L385	Y51-D57 PolarHBondContact OH-OD2 3.29Å; Y51-G109 VanDerWaalsContact CE1-O 3.23Å; Y51-G109 WeakPolarHBondContact CE1-O 3.29Å; Y51-G109 WeakPolarHBondContact O-CA 3.26Å; Y51-L112 VanDerWaalsContact OH-CD2 3.23Å; Y51-L112 WeakPolarHBondContact OH-CD2 3.42Å; Y51-L112 WeakPolarHBondContact OH-CG 3.49Å; Y51-Q113 HydrophobicContact CD1-CB 3.99Å; Y51-Q113 HydrophobicContact CE1-CB 4.01Å; Y51-L384 HydrophobicContact CE1-CD2 4.33Å; Y51-L384 HydrophobicContact CE2-CD2 4.28Å; Y51-L384 WeakPolarHBondContact OH-CD2 3.26Å; Y51-L385 HydrophobicContact CD1-CD1 4.47Å
52	Q	97.1	Very high	96.8	Very high	91 Å²	91	45.8 Å²	45.8	43%	0.425	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-93.7	120	177.5	-76.2	-176.2	31.8	0	0	110	S54 S105 R106	Q52-S54 PolarHBondContact O-N 2.85Å; Q52-S105 VanDerWaalsContact C-OG 3.28Å; Q52-S105 VanDerWaalsContact CB-OG 3.3Å; Q52-S105 WeakPolarHBondContact CB-OG 3.31Å; Q52-R106 HydrophobicContact CG-CG 3.9Å
53	A	97.9	Very high	96.9	Very high	2 Å²	2	43.8 Å²	43.8	2%	0.017	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-60.1	131.1	179.7	0	0	0	0	0	111.5	D57 M58 S105 T108	A53-D57 HydrophobicContact CB-CB 4.09Å; A53-M58 HydrophobicContact CB-CE 4.21Å; A53-S105 WeakPolarHBondContact CB-O 3.28Å; A53-S105 PolarHBondContact N-O 3.47Å; A53-S105 PolarHBondContact N-OG 2.88Å; A53-S105 VanDerWaalsContact N-OG 3.12Å; A53-S105 WeakPolarHBondContact O-CB 3.49Å; A53-S105 PolarHBondContact O-OG 2.74Å; A53-T108 HydrophobicContact CB-CG2 3.78Å
54	S	97.7	Very high	97	Very high	51 Å²	51	47.3 Å²	47.3	36%	0.357	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-76.3	167.4	175.9	67.7	0	0	0	0	111.7	Q52 H56 D57 M58	Q52-S54 PolarHBondContact O-N 2.85Å; S54-H56 PolarHBondContact O-N 2.8Å; S54-H56 PolarHBondContact OG-N 3.01Å; S54-D57 PolarHBondContact N-OD2 3.41Å; S54-D57 WeakPolarHBondContact O-CB 3.44Å; S54-D57 PolarHBondContact O-N 3.03Å; S54-D57 VanDerWaalsContact O-N 3.12Å; S54-D57 PolarHBondContact OG-N 3.08Å; S54-D57 PolarHBondContact OG-OD2 3.1Å; S54-M58 PolarHBondContact O-N 3.03Å
55	Q	97.5	Very high	97.1	Very high	67 Å²	67	49 Å²	49	31%	0.313	24%	0.24	S	C	.	.	H	α-helix	trans	-55.2	-41	168.7	169.3	173.7	70.1	0	0	111.3	D57 M58 C59 I67 F101	Q55-D57 VanDerWaalsContact C-N 3.29Å; Q55-D57 PolarHBondContact O-N 3.48Å; Q55-M58 PolarHBondContact O-N 3.48Å; Q55-C59 WeakPolarHBondContact O-CB 3.34Å; Q55-C59 PolarHBondContact O-N 2.81Å; Q55-C59 PolarHBondContact O-SG 3.33Å; Q55-I67 HydrophobicContact CB-CG2 4.07Å; Q55-I67 HydrophobicContact CG-CB 4.45Å; Q55-I67 HydrophobicContact CG-CG2 3.63Å; Q55-F101 HydrophobicContact CB-CZ 4.41Å
56	H	97.3	Very high	97.1	Very high	141 Å²	141	48.9 Å²	48.9	65%	0.653	24%	0.24	S	C	*	.	H	α-helix	trans	-58.3	-41.4	176.8	173.6	-87.9	0	0	0	111.9	S54 C59	S54-H56 PolarHBondContact O-N 2.8Å; S54-H56 PolarHBondContact OG-N 3.01Å; H56-C59 PolarHBondContact O-N 2.89Å
57	D	97.7	Very high	97.2	Very high	5 Å²	5	47.5 Å²	47.5	3%	0.027	23%	0.232	C	C	.	.	H	α-helix	trans	-64.1	-42.9	178	-59.9	-37.4	0	0	0	111.8	Y51 A53 S54 Q55 R60 L112 L384	Y51-D57 PolarHBondContact OH-OD2 3.29Å; A53-D57 HydrophobicContact CB-CB 4.09Å; S54-D57 PolarHBondContact N-OD2 3.41Å; S54-D57 WeakPolarHBondContact O-CB 3.44Å; S54-D57 PolarHBondContact O-N 3.03Å; S54-D57 VanDerWaalsContact O-N 3.12Å; S54-D57 PolarHBondContact OG-N 3.08Å; S54-D57 PolarHBondContact OG-OD2 3.1Å; Q55-D57 VanDerWaalsContact C-N 3.29Å; Q55-D57 PolarHBondContact O-N 3.48Å; D57-R60 WeakPolarHBondContact O-CB 3.48Å; D57-R60 WeakPolarHBondContact O-CD 3.41Å; D57-R60 VanDerWaalsContact O-CG 3.28Å; D57-R60 WeakPolarHBondContact O-CG 3.37Å; D57-R60 PolarHBondContact O-N 3.29Å; D57-L112 HydrophobicContact CB-CD2 3.91Å; D57-L384 VanDerWaalsContact OD1-CD1 3.28Å; D57-L384 WeakPolarHBondContact OD1-CD1 3.35Å
58	M	98.4	Very high	97.3	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-68.9	-36.6	179.1	-61.3	178.1	-173.5	0	0	112.6	A53 S54 Q55 R60 F61 H62 I67 F101 C104 S105 T108 V147	A53-M58 HydrophobicContact CB-CE 4.21Å; S54-M58 PolarHBondContact O-N 3.03Å; Q55-M58 PolarHBondContact O-N 3.48Å; M58-R60 PolarHBondContact O-N 3.42Å; M58-R60 VanDerWaalsContact O-N 3.13Å; M58-F61 PolarHBondContact O-N 2.85Å; M58-H62 PolarHBondContact O-N 2.58Å; M58-H62 VanDerWaalsContact O-N 3.11Å; M58-I67 HydrophobicContact CB-CD1 3.78Å; M58-I67 HydrophobicContact CB-CG1 3.95Å; M58-I67 HydrophobicContact CB-CG2 4.09Å; M58-I67 HydrophobicContact SD-CD1 4.29Å; M58-I67 HydrophobicContact SD-CG2 4.13Å; M58-F101 HydrophobicContact CE-CE2 4.19Å; M58-F101 HydrophobicContact CE-CZ 4.11Å; M58-F101 HydrophobicContact SD-CD2 4.49Å; M58-F101 HydrophobicContact SD-CE2 3.69Å; M58-F101 HydrophobicContact SD-CZ 3.97Å; M58-C104 HydrophobicContact CE-CB 4.02Å; M58-S105 VanDerWaalsContact CE-N 3.34Å; M58-T108 HydrophobicContact CG-CG2 4.45Å; M58-V147 HydrophobicContact CB-CG1 4.49Å; M58-V147 HydrophobicContact CG-CG1 4.13Å; M58-V147 HydrophobicContact SD-CG2 3.93Å
59	C	98.3	Very high	97.4	Very high	33 Å²	33	48.2 Å²	48.2	22%	0.223	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-4.3	178.1	-69.6	0	0	0	0	114	Q55 H56 F61 H62 E64	Q55-C59 WeakPolarHBondContact O-CB 3.34Å; Q55-C59 PolarHBondContact O-N 2.81Å; Q55-C59 PolarHBondContact O-SG 3.33Å; H56-C59 PolarHBondContact O-N 2.89Å; C59-F61 PolarHBondContact O-N 3.1Å; C59-H62 WeakPolarHBondContact CA-O 3.38Å; C59-E64 HydrophobicContact CB-CG 4.44Å
60	R	97	Very high	97.5	Very high	71 Å²	71	43 Å²	43	27%	0.268	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-29.1	169.8	-67.5	176.3	64.7	173.8	3.1	112.6	D57 M58 L155 E156	D57-R60 WeakPolarHBondContact O-CB 3.48Å; D57-R60 WeakPolarHBondContact O-CD 3.41Å; D57-R60 VanDerWaalsContact O-CG 3.28Å; D57-R60 WeakPolarHBondContact O-CG 3.37Å; D57-R60 PolarHBondContact O-N 3.29Å; M58-R60 PolarHBondContact O-N 3.42Å; M58-R60 VanDerWaalsContact O-N 3.13Å; R60-L155 HydrophobicContact CB-CD1 4.48Å; R60-E156 IonicContact CZ-OE2 2.9Å; R60-E156 IonicContact NH1-OE2 2.8Å; R60-E156 PolarHBondContact NH1-OE2 3Å; R60-E156 IonicContact NH2-OE2 3.98Å; R60-E156 PolarHBondContact NH2-OE2 3.08Å
61	F	98.5	Very high	97.9	Very high	22 Å²	22	47 Å²	47	10%	0.096	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-53.8	174.1	172.3	-125.2	0	0	0	111.6	M58 C59 K138 N148 V151 I152 L155 A180	M58-F61 PolarHBondContact O-N 2.85Å; C59-F61 PolarHBondContact O-N 3.1Å; F61-K138 HydrophobicContact CE2-CB 4.01Å; F61-K138 HydrophobicContact CE2-CG 4.49Å; F61-K138 HydrophobicContact CZ-CB 3.92Å; F61-K138 WeakPolarHBondContact O-CE 3.48Å; F61-K138 WeakPolarHBondContact O-CG 3.36Å; F61-N148 HydrophobicContact CD1-CB 3.94Å; F61-N148 HydrophobicContact CE1-CB 3.77Å; F61-V151 HydrophobicContact CB-CG1 3.88Å; F61-V151 HydrophobicContact CD1-CB 4.09Å; F61-V151 HydrophobicContact CD1-CG1 3.94Å; F61-V151 HydrophobicContact CD2-CB 4.47Å; F61-V151 HydrophobicContact CD2-CG1 3.49Å; F61-V151 VanDerWaalsContact CD2-CG1 3.49Å; F61-V151 HydrophobicContact CE1-CB 4.39Å; F61-V151 HydrophobicContact CE1-CG1 4.35Å; F61-V151 HydrophobicContact CE1-CG2 4.4Å; F61-V151 HydrophobicContact CE2-CG1 3.94Å; F61-V151 HydrophobicContact CG-CB 4.14Å; F61-V151 HydrophobicContact CG-CG1 3.48Å; F61-V151 VanDerWaalsContact CG-CG1 3.48Å; F61-V151 HydrophobicContact CZ-CG1 4.35Å; F61-V151 HydrophobicContact CZ-CG2 4.47Å; F61-I152 HydrophobicContact CB-CG1 4.02Å; F61-L155 HydrophobicContact CB-CD1 4.25Å; F61-A180 HydrophobicContact CD2-CB 4.38Å; F61-A180 HydrophobicContact CE2-CB 3.57Å; F61-A180 HydrophobicContact CZ-CB 3.84Å
62	H	98.6	Very high	98.1	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.019	25%	0.245	C	C	.	.	S	Bend	trans	-74.9	158.1	-173.2	-67.9	-76.5	0	0	0	112.6	M58 C59 Y66 I67 K137 K138 V147 N148	M58-H62 PolarHBondContact O-N 2.58Å; M58-H62 VanDerWaalsContact O-N 3.11Å; C59-H62 WeakPolarHBondContact CA-O 3.38Å; H62-Y66 HydrophobicContact CB-CD1 4.1Å; H62-Y66 AromaticContact ND1-CD1 3.72Å; H62-Y66 AromaticContact ND1-CE1 3.67Å; H62-I67 HydrophobicContact CB-CD1 3.55Å; H62-I67 HydrophobicContact CB-CG1 3.61Å; H62-K137 PolarHBondContact CE1-O 2.74Å; H62-K137 PolarHBondContact ND1-O 3.17Å; H62-K138 VanDerWaalsContact CA-O 3.3Å; H62-K138 WeakPolarHBondContact CA-O 3.39Å; H62-K138 PolarHBondContact ND1-O 2.63Å; H62-V147 WeakPolarHBondContact NE2-CA 3.3Å; H62-N148 PolarHBondContact NE2-N 3.38Å
63	S	98.3	Very high	98.1	Very high	23 Å²	23	46.9 Å²	46.9	16%	0.161	23%	0.228	C	C	.	.			trans	-69.9	147.8	172	65.7	0	0	0	0	112.5	D65 Y66 I67 K138 F139	S63-D65 VanDerWaalsContact C-N 3.33Å; S63-D65 PolarHBondContact O-N 3.21Å; S63-Y66 PolarHBondContact O-N 3.38Å; S63-Y66 WeakPolarHBondContact OG-CB 3.45Å; S63-Y66 PolarHBondContact OG-N 2.64Å; S63-I67 PolarHBondContact O-N 2.97Å; S63-I67 VanDerWaalsContact O-N 3.09Å; S63-K138 PolarHBondContact N-O 2.83Å; S63-F139 WeakPolarHBondContact OG-CD1 3.46Å
64	E	98.4	Very high	98.1	Very high	147 Å²	147	48.3 Å²	48.3	69%	0.687	24%	0.238	S	C	*	.	H	α-helix	trans	-57.4	-45	176	-66.7	179.7	-168.6	0	0	112	C59 Y66 I67 D68	C59-E64 HydrophobicContact CB-CG 4.44Å; E64-Y66 VanDerWaalsContact C-N 3.27Å; E64-Y66 PolarHBondContact O-N 3.38Å; E64-I67 PolarHBondContact O-N 2.88Å; E64-D68 WeakPolarHBondContact O-CB 3.46Å; E64-D68 PolarHBondContact O-N 3.26Å
65	D	98.2	Very high	98.1	Very high	122 Å²	122	48.2 Å²	48.2	65%	0.652	24%	0.236	S	C	*	.	H	α-helix	trans	-60.1	-36.4	179.1	-69.1	-24.8	0	0	0	112.6	S63 F69 F88	S63-D65 VanDerWaalsContact C-N 3.33Å; S63-D65 PolarHBondContact O-N 3.21Å; D65-F69 WeakPolarHBondContact O-CB 3.41Å; D65-F69 PolarHBondContact O-N 3.43Å; D65-F69 VanDerWaalsContact O-N 3.12Å; D65-F88 HydrophobicContact CB-CZ 4.04Å
66	Y	98.7	Very high	98.1	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-71.5	-45.6	178.9	175.7	-127.3	0	0	0	111.2	H62 S63 E64 F69 L70 F88 A141 Y146	H62-Y66 HydrophobicContact CB-CD1 4.1Å; H62-Y66 AromaticContact ND1-CD1 3.72Å; H62-Y66 AromaticContact ND1-CE1 3.67Å; S63-Y66 PolarHBondContact O-N 3.38Å; S63-Y66 WeakPolarHBondContact OG-CB 3.45Å; S63-Y66 PolarHBondContact OG-N 2.64Å; E64-Y66 VanDerWaalsContact C-N 3.27Å; E64-Y66 PolarHBondContact O-N 3.38Å; Y66-F69 HydrophobicContact CD2-CD1 4.32Å; Y66-F69 HydrophobicContact CE2-CD1 4.5Å; Y66-F69 WeakPolarHBondContact O-CB 3.45Å; Y66-F69 PolarHBondContact O-N 2.9Å; Y66-L70 HydrophobicContact CD1-CD1 4.45Å; Y66-L70 HydrophobicContact CD2-CG 4.33Å; Y66-L70 HydrophobicContact CE1-CD1 3.84Å; Y66-L70 HydrophobicContact CE2-CD1 4.05Å; Y66-L70 HydrophobicContact CE2-CD2 4.02Å; Y66-L70 HydrophobicContact CE2-CG 3.9Å; Y66-L70 PolarHBondContact O-N 3.4Å; Y66-F88 HydrophobicContact CD2-CB 3.63Å; Y66-F88 AromaticContact CD2-CD1 3.82Å; Y66-F88 HydrophobicContact CD2-CD1 3.82Å; Y66-F88 HydrophobicContact CD2-CD2 4.1Å; Y66-F88 HydrophobicContact CD2-CE1 4.41Å; Y66-F88 AromaticContact CD2-CG 3.6Å; Y66-F88 HydrophobicContact CD2-CG 3.6Å; Y66-F88 HydrophobicContact CE2-CB 3.75Å; Y66-F88 HydrophobicContact CE2-CG 4.26Å; Y66-F88 HydrophobicContact CG-CD1 4.4Å; Y66-A141 WeakPolarHBondContact OH-CA 3.27Å; Y66-A141 WeakPolarHBondContact OH-CB 3.4Å; Y66-A141 PolarHBondContact OH-N 3.2Å; Y66-A141 VanDerWaalsContact OH-N 3.07Å; Y66-Y146 VanDerWaalsContact CE1-O 3.3Å; Y66-Y146 WeakPolarHBondContact CE1-O 3.24Å; Y66-Y146 PolarHBondContact OH-O 2.82Å
67	I	98.7	Very high	98.1	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-68.9	-39.2	178.9	-59.6	-54.4	0	0	0	111.7	Q55 M58 H62 S63 E64 F69 L70 Q71 F101 V147	Q55-I67 HydrophobicContact CB-CG2 4.07Å; Q55-I67 HydrophobicContact CG-CB 4.45Å; Q55-I67 HydrophobicContact CG-CG2 3.63Å; M58-I67 HydrophobicContact CB-CD1 3.78Å; M58-I67 HydrophobicContact CB-CG1 3.95Å; M58-I67 HydrophobicContact CB-CG2 4.09Å; M58-I67 HydrophobicContact SD-CD1 4.29Å; M58-I67 HydrophobicContact SD-CG2 4.13Å; H62-I67 HydrophobicContact CB-CD1 3.55Å; H62-I67 HydrophobicContact CB-CG1 3.61Å; S63-I67 PolarHBondContact O-N 2.97Å; S63-I67 VanDerWaalsContact O-N 3.09Å; E64-I67 PolarHBondContact O-N 2.88Å; I67-F69 VanDerWaalsContact C-N 3.28Å; I67-F69 PolarHBondContact O-N 3.14Å; I67-L70 HydrophobicContact CD1-CD1 4.25Å; I67-L70 PolarHBondContact O-N 3.08Å; I67-Q71 WeakPolarHBondContact O-CB 3.4Å; I67-Q71 PolarHBondContact O-N 2.98Å; I67-F101 HydrophobicContact CG2-CE2 3.85Å; I67-F101 HydrophobicContact CG2-CZ 4.46Å; I67-V147 HydrophobicContact CD1-CG2 4.14Å
68	D	98.4	Very high	98	Very high	56 Å²	56	49.4 Å²	49.4	30%	0.299	25%	0.253	S	S	.	.	H	α-helix	trans	-57.4	-43.4	171.2	-179.1	69.7	0	0	0	111.1	E64 Q71 R72	E64-D68 WeakPolarHBondContact O-CB 3.46Å; E64-D68 PolarHBondContact O-N 3.26Å; D68-Q71 PolarHBondContact O-N 3.34Å; D68-R72 WeakPolarHBondContact O-CB 3.39Å; D68-R72 WeakPolarHBondContact O-CD 3.35Å; D68-R72 WeakPolarHBondContact O-CG 3.44Å; D68-R72 PolarHBondContact O-N 3.43Å; D68-R72 VanDerWaalsContact O-N 3.13Å; D68-R72 WeakPolarHBondContact OD1-CD 3.41Å; D68-R72 WeakPolarHBondContact OD2-CD 3.43Å; D68-R72 IonicContact OD2-CZ 2.97Å; D68-R72 IonicContact OD2-NE 3.5Å; D68-R72 IonicContact OD2-NH1 2.64Å; D68-R72 PolarHBondContact OD2-NH1 2.87Å
69	F	98.5	Very high	97.8	Very high	4 Å²	4	56 Å²	56	2%	0.018	28%	0.284	C	S	.	.	H	α-helix	trans	-61.2	-50.6	175.4	160.6	-102.6	0	0	0	112.3	D65 Y66 I67 Q71 R72 V73 F81 S84 L85 F88 V90	D65-F69 WeakPolarHBondContact O-CB 3.41Å; D65-F69 PolarHBondContact O-N 3.43Å; D65-F69 VanDerWaalsContact O-N 3.12Å; Y66-F69 HydrophobicContact CD2-CD1 4.32Å; Y66-F69 HydrophobicContact CE2-CD1 4.5Å; Y66-F69 WeakPolarHBondContact O-CB 3.45Å; Y66-F69 PolarHBondContact O-N 2.9Å; I67-F69 VanDerWaalsContact C-N 3.28Å; I67-F69 PolarHBondContact O-N 3.14Å; F69-Q71 PolarHBondContact O-N 2.71Å; F69-R72 PolarHBondContact O-N 3.38Å; F69-R72 VanDerWaalsContact O-N 3.09Å; F69-V73 HydrophobicContact CD2-CB 4.11Å; F69-V73 HydrophobicContact CE1-CG1 4.27Å; F69-V73 HydrophobicContact CE2-CB 3.62Å; F69-V73 HydrophobicContact CE2-CG1 4.04Å; F69-V73 HydrophobicContact CE2-CG2 3.7Å; F69-V73 HydrophobicContact CZ-CB 3.98Å; F69-V73 HydrophobicContact CZ-CG1 3.9Å; F69-V73 HydrophobicContact CZ-CG2 3.98Å; F69-V73 WeakPolarHBondContact O-CB 3.34Å; F69-V73 WeakPolarHBondContact O-CG1 3.46Å; F69-V73 PolarHBondContact O-N 2.96Å; F69-F81 HydrophobicContact CD2-CB 4.45Å; F69-F81 AromaticContact CD2-CD1 3.83Å; F69-F81 HydrophobicContact CD2-CD1 3.83Å; F69-F81 HydrophobicContact CD2-CE1 4.41Å; F69-F81 HydrophobicContact CD2-CG 4.33Å; F69-F81 HydrophobicContact CE2-CB 3.92Å; F69-F81 HydrophobicContact CE2-CD1 4.14Å; F69-F81 HydrophobicContact CE2-CG 4.18Å; F69-S84 VanDerWaalsContact CD2-CB 3.47Å; F69-L85 HydrophobicContact CE2-CD2 4.34Å; F69-L85 HydrophobicContact CE2-CG 4.42Å; F69-L85 HydrophobicContact CZ-CD2 3.82Å; F69-L85 HydrophobicContact CZ-CG 4.26Å; F69-F88 HydrophobicContact CB-CD2 3.78Å; F69-F88 HydrophobicContact CB-CE2 3.53Å; F69-F88 HydrophobicContact CD1-CB 4.21Å; F69-F88 AromaticContact CD1-CD2 3.36Å; F69-F88 HydrophobicContact CD1-CD2 3.36Å; F69-F88 HydrophobicContact CD1-CE2 4.05Å; F69-F88 HydrophobicContact CD1-CG 4.16Å; F69-F88 HydrophobicContact CD2-CD2 4.27Å; F69-F88 HydrophobicContact CE1-CB 4.19Å; F69-F88 AromaticContact CE1-CD2 3.98Å; F69-F88 HydrophobicContact CE1-CD2 3.98Å; F69-F88 AromaticContact CG-CD2 3.51Å; F69-F88 HydrophobicContact CG-CD2 3.51Å; F69-F88 AromaticContact CG-CE2 3.78Å; F69-F88 HydrophobicContact CG-CE2 3.78Å; F69-V90 HydrophobicContact CE1-CB 3.95Å; F69-V90 HydrophobicContact CE1-CG1 4.34Å; F69-V90 HydrophobicContact CE1-CG2 3.73Å; F69-V90 HydrophobicContact CZ-CB 4.09Å; F69-V90 HydrophobicContact CZ-CG1 4.26Å; F69-V90 HydrophobicContact CZ-CG2 4.37Å
70	L	98.5	Very high	97.8	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-58.5	-37	178.6	-70.9	-176.9	0	0	0	112	Y66 I67 R72 V90 L100 F101 Y146 V147	Y66-L70 HydrophobicContact CD1-CD1 4.45Å; Y66-L70 HydrophobicContact CD2-CG 4.33Å; Y66-L70 HydrophobicContact CE1-CD1 3.84Å; Y66-L70 HydrophobicContact CE2-CD1 4.05Å; Y66-L70 HydrophobicContact CE2-CD2 4.02Å; Y66-L70 HydrophobicContact CE2-CG 3.9Å; Y66-L70 PolarHBondContact O-N 3.4Å; I67-L70 HydrophobicContact CD1-CD1 4.25Å; I67-L70 PolarHBondContact O-N 3.08Å; L70-R72 VanDerWaalsContact C-N 3.32Å; L70-R72 PolarHBondContact O-N 3.39Å; L70-V90 HydrophobicContact CD2-CG2 4.24Å; L70-L100 HydrophobicContact CD2-CD2 4Å; L70-F101 HydrophobicContact CB-CD2 4.2Å; L70-Y146 HydrophobicContact CD2-CD1 4.09Å; L70-V147 HydrophobicContact CD1-CG2 4.06Å
71	Q	98	Very high	97.8	Very high	92 Å²	92	55.9 Å²	55.9	43%	0.43	30%	0.301	S	S	.	.	H	α-helix	trans	-68.1	-30.7	178.2	-167.8	173.7	40.8	0	0	113.2	I67 D68 F69 F101	I67-Q71 WeakPolarHBondContact O-CB 3.4Å; I67-Q71 PolarHBondContact O-N 2.98Å; D68-Q71 PolarHBondContact O-N 3.34Å; F69-Q71 PolarHBondContact O-N 2.71Å; Q71-F101 VanDerWaalsContact CA-CD2 3.43Å; Q71-F101 HydrophobicContact CB-CD1 4.4Å; Q71-F101 HydrophobicContact CB-CD2 3.66Å; Q71-F101 HydrophobicContact CB-CE1 4.49Å; Q71-F101 HydrophobicContact CB-CE2 3.75Å; Q71-F101 HydrophobicContact CB-CG 4Å; Q71-F101 HydrophobicContact CB-CZ 4.18Å; Q71-F101 HydrophobicContact CG-CD1 3.97Å; Q71-F101 HydrophobicContact CG-CD2 4.14Å; Q71-F101 HydrophobicContact CG-CE1 4Å; Q71-F101 HydrophobicContact CG-CE2 4.15Å; Q71-F101 HydrophobicContact CG-CG 4.05Å; Q71-F101 HydrophobicContact CG-CZ 4.08Å
72	R	98	Very high	97.6	Very high	135 Å²	135	58.6 Å²	58.6	51%	0.509	32%	0.32	S	S	.	.	H	α-helix	trans	-98.1	-28.1	-173.1	-67.3	168.8	64	-167.4	-0.1	113.6	D68 F69 L70 N77 F81	D68-R72 WeakPolarHBondContact O-CB 3.39Å; D68-R72 WeakPolarHBondContact O-CD 3.35Å; D68-R72 WeakPolarHBondContact O-CG 3.44Å; D68-R72 PolarHBondContact O-N 3.43Å; D68-R72 VanDerWaalsContact O-N 3.13Å; D68-R72 WeakPolarHBondContact OD1-CD 3.41Å; D68-R72 WeakPolarHBondContact OD2-CD 3.43Å; D68-R72 IonicContact OD2-CZ 2.97Å; D68-R72 IonicContact OD2-NE 3.5Å; D68-R72 IonicContact OD2-NH1 2.64Å; D68-R72 PolarHBondContact OD2-NH1 2.87Å; F69-R72 PolarHBondContact O-N 3.38Å; F69-R72 VanDerWaalsContact O-N 3.09Å; L70-R72 VanDerWaalsContact C-N 3.32Å; L70-R72 PolarHBondContact O-N 3.39Å; R72-N77 PolarHBondContact O-ND2 3.08Å; R72-F81 HydrophobicContact CB-CE1 4.42Å; R72-F81 HydrophobicContact CB-CZ 3.88Å
73	V	98.2	Very high	97.5	Very high	10 Å²	10	67.2 Å²	67.2	6%	0.061	36%	0.358	C	S	.	.			trans	-73.2	137	-175.3	73.8	0	0	0	0	110.9	F69 M78 F81 L85 V96 L100	F69-V73 HydrophobicContact CD2-CB 4.11Å; F69-V73 HydrophobicContact CE1-CG1 4.27Å; F69-V73 HydrophobicContact CE2-CB 3.62Å; F69-V73 HydrophobicContact CE2-CG1 4.04Å; F69-V73 HydrophobicContact CE2-CG2 3.7Å; F69-V73 HydrophobicContact CZ-CB 3.98Å; F69-V73 HydrophobicContact CZ-CG1 3.9Å; F69-V73 HydrophobicContact CZ-CG2 3.98Å; F69-V73 WeakPolarHBondContact O-CB 3.34Å; F69-V73 WeakPolarHBondContact O-CG1 3.46Å; F69-V73 PolarHBondContact O-N 2.96Å; V73-M78 HydrophobicContact CG2-CB 4.19Å; V73-F81 HydrophobicContact CG2-CB 4.43Å; V73-F81 HydrophobicContact CG2-CD2 4.25Å; V73-F81 HydrophobicContact CG2-CG 4.44Å; V73-L85 HydrophobicContact CG2-CD2 4.4Å; V73-V96 HydrophobicContact CG1-CG1 4.4Å; V73-V96 HydrophobicContact CG1-CG2 4.49Å; V73-V96 HydrophobicContact CG2-CG1 4.08Å; V73-V96 HydrophobicContact CG2-CG2 3.9Å; V73-L100 HydrophobicContact CG1-CD2 4.11Å
74	S	97.6	Very high	97.5	Very high	32 Å²	32	67.9 Å²	67.9	22%	0.224	36%	0.362	C	S	.	.			trans	-147.8	161.9	175.7	67.1	0	0	0	0	110.2	T76 N77 M78	S74-T76 PolarHBondContact O-N 3Å; S74-T76 PolarHBondContact OG-OG1 3.45Å; S74-T76 VanDerWaalsContact OG-OG1 3.09Å; S74-N77 PolarHBondContact N-OD1 3.02Å; S74-N77 PolarHBondContact O-N 3.26Å; S74-N77 VanDerWaalsContact O-N 3.11Å; S74-N77 PolarHBondContact O-OD1 3.49Å; S74-N77 PolarHBondContact OG-ND2 2.83Å; S74-N77 PolarHBondContact OG-OD1 2.94Å; S74-M78 WeakPolarHBondContact O-CB 3.47Å; S74-M78 PolarHBondContact O-N 3.42Å
75	P	96.9	Very high	97.5	Very high	48 Å²	48	61.7 Å²	61.7	31%	0.312	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-25.2	179.5	-26.9	36.3	0	0	0	114	V96 P98	P75-V96 HydrophobicContact CG-CG1 4.21Å; P75-P98 HydrophobicContact CG-CG 4.11Å
76	T	97.1	Very high	97.4	Very high	126 Å²	126	62.2 Å²	62.2	77%	0.773	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-19.5	-177.8	56.7	0	0	0	0	113.8	S74	S74-T76 PolarHBondContact O-N 3Å; S74-T76 PolarHBondContact OG-OG1 3.45Å; S74-T76 VanDerWaalsContact OG-OG1 3.09Å
77	N	97.6	Very high	97.4	Very high	57 Å²	57	65.4 Å²	65.4	31%	0.305	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-4.1	-177.1	73.6	12.1	0	0	0	114	R72 S74 Q79 G80 F81	R72-N77 PolarHBondContact O-ND2 3.08Å; S74-N77 PolarHBondContact N-OD1 3.02Å; S74-N77 PolarHBondContact O-N 3.26Å; S74-N77 VanDerWaalsContact O-N 3.11Å; S74-N77 PolarHBondContact O-OD1 3.49Å; S74-N77 PolarHBondContact OG-ND2 2.83Å; S74-N77 PolarHBondContact OG-OD1 2.94Å; N77-Q79 PolarHBondContact O-N 2.85Å; N77-G80 PolarHBondContact O-N 2.87Å; N77-F81 HydrophobicContact CB-CE2 4.49Å
78	M	96	Very high	97.3	Very high	56 Å²	56	66.9 Å²	66.9	28%	0.276	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-56.8	-26.9	-172.6	66.6	-178.8	-64.9	0	0	114	V73 S74 G80 F81 L85 V96	V73-M78 HydrophobicContact CG2-CB 4.19Å; S74-M78 WeakPolarHBondContact O-CB 3.47Å; S74-M78 PolarHBondContact O-N 3.42Å; M78-G80 PolarHBondContact O-N 3.11Å; M78-F81 PolarHBondContact O-N 2.97Å; M78-L85 HydrophobicContact CB-CD1 4.24Å; M78-L85 HydrophobicContact CE-CD1 4.23Å; M78-L85 WeakPolarHBondContact O-CD1 3.46Å; M78-V96 HydrophobicContact CE-CB 4.43Å; M78-V96 HydrophobicContact CE-CG2 4.24Å; M78-V96 HydrophobicContact SD-CB 4.41Å
79	Q	95.2	Very high	97.3	Very high	138 Å²	138	67 Å²	67	65%	0.645	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-63.5	-23.4	174.7	-60	82.8	15.4	0	0	112.8	N77 F81 T82	N77-Q79 PolarHBondContact O-N 2.85Å; Q79-F81 VanDerWaalsContact C-N 3.29Å; Q79-T82 PolarHBondContact O-OG1 3.4Å; Q79-T82 VanDerWaalsContact O-OG1 3.1Å
80	G	96.9	Very high	97.3	Very high	71 Å²	71	67.1 Å²	67.1	73%	0.732	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-77.7	-12	172.4	0	0	0	0	0	114	N77 M78	N77-G80 PolarHBondContact O-N 2.87Å; M78-G80 PolarHBondContact O-N 3.11Å
81	F	96.7	Very high	97.1	Very high	30 Å²	30	68.8 Å²	68.8	13%	0.132	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-111.6	16.2	-174.7	-71.7	-82.4	0	0	0	113.8	F69 R72 V73 N77 M78 Q79 K83 S84 L85	F69-F81 HydrophobicContact CD2-CB 4.45Å; F69-F81 AromaticContact CD2-CD1 3.83Å; F69-F81 HydrophobicContact CD2-CD1 3.83Å; F69-F81 HydrophobicContact CD2-CE1 4.41Å; F69-F81 HydrophobicContact CD2-CG 4.33Å; F69-F81 HydrophobicContact CE2-CB 3.92Å; F69-F81 HydrophobicContact CE2-CD1 4.14Å; F69-F81 HydrophobicContact CE2-CG 4.18Å; R72-F81 HydrophobicContact CB-CE1 4.42Å; R72-F81 HydrophobicContact CB-CZ 3.88Å; V73-F81 HydrophobicContact CG2-CB 4.43Å; V73-F81 HydrophobicContact CG2-CD2 4.25Å; V73-F81 HydrophobicContact CG2-CG 4.44Å; N77-F81 HydrophobicContact CB-CE2 4.49Å; M78-F81 PolarHBondContact O-N 2.97Å; Q79-F81 VanDerWaalsContact C-N 3.29Å; F81-K83 PolarHBondContact O-N 3.33Å; F81-S84 WeakPolarHBondContact O-CA 3.19Å; F81-S84 PolarHBondContact O-N 2.86Å; F81-L85 HydrophobicContact CB-CG 4.36Å; F81-L85 WeakPolarHBondContact O-CG 3.34Å; F81-L85 PolarHBondContact O-N 2.9Å
82	T	95.4	Very high	96.8	Very high	79 Å²	79	71.9 Å²	71.9	49%	0.485	41%	0.408	S	S	.	.	H	α-helix	trans	-49.8	-37.3	-174.3	-47.9	0	0	0	0	114.6	Q79 N86	Q79-T82 PolarHBondContact O-OG1 3.4Å; Q79-T82 VanDerWaalsContact O-OG1 3.1Å; T82-N86 PolarHBondContact O-N 3.41Å
83	K	96.5	Very high	96.6	Very high	186 Å²	186	67.6 Å²	67.6	81%	0.809	40%	0.395	S	S	*	.	H	α-helix	trans	-69	-44.4	176.1	-69.6	-175.5	179.1	-179.3	0	112.3	F81 A87	F81-K83 PolarHBondContact O-N 3.33Å; K83-A87 VanDerWaalsContact O-CB 3.29Å; K83-A87 WeakPolarHBondContact O-CB 3.49Å; K83-A87 PolarHBondContact O-N 3.21Å
84	S	97.7	Very high	96.6	Very high	36 Å²	36	67.1 Å²	67.1	25%	0.252	39%	0.392	S	S	.	.	H	α-helix	trans	-68.2	-40.4	178.9	-56.8	0	0	0	0	111.8	F69 F81 N86 A87 F88	F69-S84 VanDerWaalsContact CD2-CB 3.47Å; F81-S84 WeakPolarHBondContact O-CA 3.19Å; F81-S84 PolarHBondContact O-N 2.86Å; S84-N86 VanDerWaalsContact C-N 3.33Å; S84-N86 PolarHBondContact O-N 3.38Å; S84-A87 PolarHBondContact O-N 3.25Å; S84-F88 WeakPolarHBondContact O-CB 3.19Å; S84-F88 VanDerWaalsContact O-CD2 3.27Å; S84-F88 WeakPolarHBondContact O-CD2 3.31Å; S84-F88 WeakPolarHBondContact O-CG 3.33Å; S84-F88 PolarHBondContact O-N 2.94Å
85	L	97.9	Very high	96.6	Very high	17 Å²	17	66.8 Å²	66.8	9%	0.089	39%	0.389	C	S	.	.	H	α-helix	trans	-53.4	-49.9	174.8	-73.6	166.1	0	0	0	111.3	F69 V73 M78 F81 N89 V90 V96	F69-L85 HydrophobicContact CE2-CD2 4.34Å; F69-L85 HydrophobicContact CE2-CG 4.42Å; F69-L85 HydrophobicContact CZ-CD2 3.82Å; F69-L85 HydrophobicContact CZ-CG 4.26Å; V73-L85 HydrophobicContact CG2-CD2 4.4Å; M78-L85 HydrophobicContact CB-CD1 4.24Å; M78-L85 HydrophobicContact CE-CD1 4.23Å; M78-L85 WeakPolarHBondContact O-CD1 3.46Å; F81-L85 HydrophobicContact CB-CG 4.36Å; F81-L85 WeakPolarHBondContact O-CG 3.34Å; F81-L85 PolarHBondContact O-N 2.9Å; L85-N89 PolarHBondContact O-N 2.65Å; L85-V90 WeakPolarHBondContact CB-O 3.36Å; L85-V90 HydrophobicContact CD2-CB 4.11Å; L85-V90 HydrophobicContact CD2-CG1 3.86Å; L85-V90 WeakPolarHBondContact CD2-O 3.42Å; L85-V90 PolarHBondContact O-N 2.66Å; L85-V96 HydrophobicContact CD2-CG2 3.7Å
86	N	97.1	Very high	96.7	Very high	134 Å²	134	65.4 Å²	65.4	72%	0.717	38%	0.38	S	S	*	.	H	α-helix	trans	-68.8	-40.2	177.1	-68.7	-14.7	0	0	0	112.6	T82 S84 F88	T82-N86 PolarHBondContact O-N 3.41Å; S84-N86 VanDerWaalsContact C-N 3.33Å; S84-N86 PolarHBondContact O-N 3.38Å; N86-F88 VanDerWaalsContact C-N 3.32Å; N86-F88 PolarHBondContact O-N 2.84Å
87	A	97.6	Very high	96.7	Very high	67 Å²	67	59.7 Å²	59.7	55%	0.554	34%	0.344	S	S	*	.	H	α-helix	trans	-69.7	-29.4	-176.5	0	0	0	0	0	113.4	K83 S84	K83-A87 VanDerWaalsContact O-CB 3.29Å; K83-A87 WeakPolarHBondContact O-CB 3.49Å; K83-A87 PolarHBondContact O-N 3.21Å; S84-A87 PolarHBondContact O-N 3.25Å
88	F	98.4	Very high	96.7	Very high	31 Å²	31	61.7 Å²	61.7	14%	0.136	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	11.7	-176.9	-59.9	-44.1	0	0	0	113.3	D65 Y66 F69 S84 N86 V90 F139 E140 A141	D65-F88 HydrophobicContact CB-CZ 4.04Å; Y66-F88 HydrophobicContact CD2-CB 3.63Å; Y66-F88 AromaticContact CD2-CD1 3.82Å; Y66-F88 HydrophobicContact CD2-CD1 3.82Å; Y66-F88 HydrophobicContact CD2-CD2 4.1Å; Y66-F88 HydrophobicContact CD2-CE1 4.41Å; Y66-F88 AromaticContact CD2-CG 3.6Å; Y66-F88 HydrophobicContact CD2-CG 3.6Å; Y66-F88 HydrophobicContact CE2-CB 3.75Å; Y66-F88 HydrophobicContact CE2-CG 4.26Å; Y66-F88 HydrophobicContact CG-CD1 4.4Å; F69-F88 HydrophobicContact CB-CD2 3.78Å; F69-F88 HydrophobicContact CB-CE2 3.53Å; F69-F88 HydrophobicContact CD1-CB 4.21Å; F69-F88 AromaticContact CD1-CD2 3.36Å; F69-F88 HydrophobicContact CD1-CD2 3.36Å; F69-F88 HydrophobicContact CD1-CE2 4.05Å; F69-F88 HydrophobicContact CD1-CG 4.16Å; F69-F88 HydrophobicContact CD2-CD2 4.27Å; F69-F88 HydrophobicContact CE1-CB 4.19Å; F69-F88 AromaticContact CE1-CD2 3.98Å; F69-F88 HydrophobicContact CE1-CD2 3.98Å; F69-F88 AromaticContact CG-CD2 3.51Å; F69-F88 HydrophobicContact CG-CD2 3.51Å; F69-F88 AromaticContact CG-CE2 3.78Å; F69-F88 HydrophobicContact CG-CE2 3.78Å; S84-F88 WeakPolarHBondContact O-CB 3.19Å; S84-F88 VanDerWaalsContact O-CD2 3.27Å; S84-F88 WeakPolarHBondContact O-CD2 3.31Å; S84-F88 WeakPolarHBondContact O-CG 3.33Å; S84-F88 PolarHBondContact O-N 2.94Å; N86-F88 VanDerWaalsContact C-N 3.32Å; N86-F88 PolarHBondContact O-N 2.84Å; F88-V90 VanDerWaalsContact C-N 3.31Å; F88-V90 PolarHBondContact O-N 3.04Å; F88-F139 WeakPolarHBondContact CD1-O 3.27Å; F88-E140 WeakPolarHBondContact O-CA 3.28Å; F88-E140 WeakPolarHBondContact O-CB 3.41Å; F88-A141 PolarHBondContact O-N 3.16Å
89	N	98.1	Very high	96.8	Very high	59 Å²	59	60.2 Å²	60.2	32%	0.316	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	42.6	179.1	-165.3	42.1	0	0	0	114	L85 E140 A141	L85-N89 PolarHBondContact O-N 2.65Å; N89-E140 HydrophobicContact CB-CB 3.99Å; N89-A141 WeakPolarHBondContact CB-O 3.42Å; N89-A141 PolarHBondContact ND2-O 3.02Å
90	V	97.9	Very high	96.9	Very high	5 Å²	5	53.8 Å²	53.8	3%	0.03	33%	0.329	C	S	.	.			trans	-106	110.8	175.9	174.8	0	0	0	0	109.3	F69 L70 L85 F88 C94 V96 A141 Y146	F69-V90 HydrophobicContact CE1-CB 3.95Å; F69-V90 HydrophobicContact CE1-CG1 4.34Å; F69-V90 HydrophobicContact CE1-CG2 3.73Å; F69-V90 HydrophobicContact CZ-CB 4.09Å; F69-V90 HydrophobicContact CZ-CG1 4.26Å; F69-V90 HydrophobicContact CZ-CG2 4.37Å; L70-V90 HydrophobicContact CD2-CG2 4.24Å; L85-V90 WeakPolarHBondContact CB-O 3.36Å; L85-V90 HydrophobicContact CD2-CB 4.11Å; L85-V90 HydrophobicContact CD2-CG1 3.86Å; L85-V90 WeakPolarHBondContact CD2-O 3.42Å; L85-V90 PolarHBondContact O-N 2.66Å; F88-V90 VanDerWaalsContact C-N 3.31Å; F88-V90 PolarHBondContact O-N 3.04Å; V90-C94 CarbonylContact C-O 3.52Å; V90-C94 WeakPolarHBondContact CG1-O 3.45Å; V90-V96 HydrophobicContact CG1-CG2 3.62Å; V90-A141 HydrophobicContact CG2-CB 3.84Å; V90-Y146 HydrophobicContact CG1-CE1 4.35Å; V90-Y146 HydrophobicContact CG2-CD1 4.36Å; V90-Y146 HydrophobicContact CG2-CE1 4.44Å
91	G	93.5	Very high	97	Very high	35 Å²	35	51.5 Å²	51.5	36%	0.361	30%	0.299	S	S	.	.	S	Bend	trans	172.8	-90.3	-174.4	0	0	0	0	0	113	C94 P95	G91-C94 PolarHBondContact N-O 3.24Å; G91-C94 CarbonylContact O-C 3.52Å; G91-P95 VanDerWaalsContact O-CA 3.26Å; G91-P95 WeakPolarHBondContact O-CA 3.46Å
92	D	92	Very high	97	Very high	158 Å²	158	54.4 Å²	54.4	85%	0.845	31%	0.313	S	S	*	.	S	Bend	trans	-58.1	-79.2	-166	-68.8	-34.5	0	0	0	113.6
93	D	95.1	Very high	97.2	Very high	44 Å²	44	51 Å²	51	24%	0.235	29%	0.291	C	S	.	.	S	Bend	trans	-81.9	-23.8	175.6	67.9	-29.8	0	0	0	111.5	H22 P95 G143 F144	H22-D93 PolarHBondContact NE2-O 3.48Å; D93-P95 WeakPolarHBondContact O-CD 3.42Å; D93-G143 WeakPolarHBondContact OD2-CA 3.48Å; D93-G143 PolarHBondContact OD2-N 2.8Å; D93-F144 HydrophobicContact CB-CD1 3.98Å; D93-F144 HydrophobicContact CB-CE1 3.79Å; D93-F144 VanDerWaalsContact O-CD1 3.25Å; D93-F144 WeakPolarHBondContact O-CD1 3.27Å
94	C	97.9	Very high	97.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	-109.6	73.5	178.2	-60.7	0	0	0	0	111.1	V90 G91 A141 F144 Y146	V90-C94 CarbonylContact C-O 3.52Å; V90-C94 WeakPolarHBondContact CG1-O 3.45Å; G91-C94 PolarHBondContact N-O 3.24Å; G91-C94 CarbonylContact O-C 3.52Å; C94-A141 HydrophobicContact CB-CB 3.75Å; C94-F144 PolarHBondContact SG-N 3.29Å; C94-F144 VanDerWaalsContact SG-N 3.44Å; C94-Y146 WeakPolarHBondContact CA-OH 3.14Å; C94-Y146 HydrophobicContact CB-CD1 4.48Å; C94-Y146 HydrophobicContact CB-CE1 3.79Å
95	P	97.8	Very high	97.3	Very high	25 Å²	25	40.7 Å²	40.7	16%	0.162	24%	0.243	C	C	.	.			trans	-69.5	157.8	-174.9	29.5	-37	0	0	0	113.5	Y18 G91 D93 Y146	Y18-P95 HydrophobicContact CD1-CG 4.28Å; Y18-P95 WeakPolarHBondContact O-CG 3.29Å; G91-P95 VanDerWaalsContact O-CA 3.26Å; G91-P95 WeakPolarHBondContact O-CA 3.46Å; D93-P95 WeakPolarHBondContact O-CD 3.42Å; P95-Y146 WeakPolarHBondContact CD-OH 3.22Å; P95-Y146 VanDerWaalsContact N-OH 3.09Å; P95-Y146 PolarHBondContact O-OH 3.06Å
96	V	98.2	Very high	97.3	Very high	20 Å²	20	41.4 Å²	41.4	12%	0.121	25%	0.245	C	C	.	.			trans	-80.5	122.2	166.3	-177	0	0	0	0	108.9	V73 P75 M78 L85 V90	V73-V96 HydrophobicContact CG1-CG1 4.4Å; V73-V96 HydrophobicContact CG1-CG2 4.49Å; V73-V96 HydrophobicContact CG2-CG1 4.08Å; V73-V96 HydrophobicContact CG2-CG2 3.9Å; P75-V96 HydrophobicContact CG-CG1 4.21Å; M78-V96 HydrophobicContact CE-CB 4.43Å; M78-V96 HydrophobicContact CE-CG2 4.24Å; M78-V96 HydrophobicContact SD-CB 4.41Å; L85-V96 HydrophobicContact CD2-CG2 3.7Å; V90-V96 HydrophobicContact CG1-CG2 3.62Å
97	F	97.5	Very high	97.4	Very high	5 Å²	5	35.1 Å²	35.1	2%	0.022	21%	0.211	C	C	.	.			trans	-126.6	160	176.1	59.3	-97.9	0	0	0	112	F16 H17 Y18 G99 L100 F103 Y146	F16-F97 HydrophobicContact CB-CE2 4.17Å; F16-F97 HydrophobicContact CD1-CE2 4.11Å; H17-F97 WeakPolarHBondContact O-CB 3.47Å; Y18-F97 HydrophobicContact CD1-CE1 4.27Å; Y18-F97 HydrophobicContact CD2-CD1 4.2Å; Y18-F97 AromaticContact CD2-CE1 3.74Å; Y18-F97 HydrophobicContact CD2-CE1 3.74Å; Y18-F97 HydrophobicContact CD2-CZ 4.12Å; Y18-F97 HydrophobicContact CE1-CE1 4.21Å; Y18-F97 AromaticContact CE2-CE1 3.64Å; Y18-F97 HydrophobicContact CE2-CE1 3.64Å; Y18-F97 AromaticContact CE2-CZ 3.78Å; Y18-F97 HydrophobicContact CE2-CZ 3.78Å; Y18-F97 HydrophobicContact CG-CD1 4.24Å; Y18-F97 HydrophobicContact CG-CE1 4.04Å; Y18-F97 AromaticContact CZ-CE1 3.89Å; F97-G99 PolarHBondContact O-N 2.92Å; F97-L100 HydrophobicContact CD1-CD1 4.21Å; F97-L100 HydrophobicContact CD2-CB 4.43Å; F97-L100 HydrophobicContact CE1-CD1 3.5Å; F97-L100 VanDerWaalsContact CE1-CD1 3.5Å; F97-L100 HydrophobicContact CE2-CB 4.26Å; F97-L100 HydrophobicContact CE2-CD1 4.19Å; F97-L100 HydrophobicContact CZ-CB 4.38Å; F97-L100 HydrophobicContact CZ-CD1 3.48Å; F97-L100 VanDerWaalsContact CZ-CD1 3.48Å; F97-L100 PolarHBondContact O-N 2.88Å; F97-F103 HydrophobicContact CE2-CB 4.01Å; F97-F103 HydrophobicContact CE2-CD1 4.43Å; F97-F103 HydrophobicContact CE2-CG 4.35Å; F97-F103 HydrophobicContact CZ-CB 4.17Å; F97-F103 AromaticContact CZ-CD1 3.8Å; F97-F103 HydrophobicContact CZ-CD1 3.8Å; F97-F103 HydrophobicContact CZ-CG 4.17Å; F97-Y146 AromaticContact CE1-CE2 3.96Å; F97-Y146 HydrophobicContact CE1-CE2 3.96Å; F97-Y146 AromaticContact CE1-CZ 3.98Å
98	P	97.5	Very high	97.5	Very high	99 Å²	99	32 Å²	32	64%	0.643	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	126.5	177.2	-21.4	32.8	0	0	0	111.3	P75	P75-P98 HydrophobicContact CG-CG 4.11Å
99	G	97.4	Very high	97.5	Very high	25 Å²	25	30.5 Å²	30.5	26%	0.258	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	21.7	179.5	0	0	0	0	0	114.7	F16 F97 F101 E102 F103	F16-G99 WeakPolarHBondContact CD1-O 3.4Å; F16-G99 WeakPolarHBondContact CE1-O 3.43Å; F97-G99 PolarHBondContact O-N 2.92Å; G99-F101 PolarHBondContact O-N 2.77Å; G99-E102 WeakPolarHBondContact CA-OE2 3.48Å; G99-E102 PolarHBondContact O-N 2.91Å; G99-F103 PolarHBondContact O-N 3.47Å
100	L	98.1	Very high	97.5	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.016	16%	0.164	C	C	.	.	H	α-helix	trans	-53.4	-50.3	-176.6	173.1	60.5	0	0	0	112.8	L70 V73 F97 E102 F103 C104 Y146	L70-L100 HydrophobicContact CD2-CD2 4Å; V73-L100 HydrophobicContact CG1-CD2 4.11Å; F97-L100 HydrophobicContact CD1-CD1 4.21Å; F97-L100 HydrophobicContact CD2-CB 4.43Å; F97-L100 HydrophobicContact CE1-CD1 3.5Å; F97-L100 VanDerWaalsContact CE1-CD1 3.5Å; F97-L100 HydrophobicContact CE2-CB 4.26Å; F97-L100 HydrophobicContact CE2-CD1 4.19Å; F97-L100 HydrophobicContact CZ-CB 4.38Å; F97-L100 HydrophobicContact CZ-CD1 3.48Å; F97-L100 VanDerWaalsContact CZ-CD1 3.48Å; F97-L100 PolarHBondContact O-N 2.88Å; L100-E102 VanDerWaalsContact C-N 3.35Å; L100-F103 WeakPolarHBondContact O-CB 3.09Å; L100-F103 PolarHBondContact O-N 3.31Å; L100-C104 PolarHBondContact O-N 3.04Å; L100-C104 VanDerWaalsContact O-N 3.1Å; L100-C104 PolarHBondContact O-SG 3.11Å; L100-Y146 HydrophobicContact CD1-CD1 3.67Å; L100-Y146 HydrophobicContact CD1-CD2 3.87Å; L100-Y146 HydrophobicContact CD1-CE1 3.58Å; L100-Y146 HydrophobicContact CD1-CE2 3.83Å; L100-Y146 HydrophobicContact CD1-CG 3.81Å; L100-Y146 HydrophobicContact CD2-CD1 4.12Å; L100-Y146 HydrophobicContact CD2-CE1 3.95Å; L100-Y146 HydrophobicContact CG-CD1 4.42Å; L100-Y146 HydrophobicContact CG-CE1 4.42Å
101	F	98.3	Very high	97.5	Very high	23 Å²	23	27.5 Å²	27.5	10%	0.101	16%	0.163	C	C	.	.	H	α-helix	trans	-66.4	-39.2	-179.6	-172.2	-99.3	0	0	0	111.9	Q55 M58 I67 L70 Q71 G99 F103 C104 S105	Q55-F101 HydrophobicContact CB-CZ 4.41Å; M58-F101 HydrophobicContact CE-CE2 4.19Å; M58-F101 HydrophobicContact CE-CZ 4.11Å; M58-F101 HydrophobicContact SD-CD2 4.49Å; M58-F101 HydrophobicContact SD-CE2 3.69Å; M58-F101 HydrophobicContact SD-CZ 3.97Å; I67-F101 HydrophobicContact CG2-CE2 3.85Å; I67-F101 HydrophobicContact CG2-CZ 4.46Å; L70-F101 HydrophobicContact CB-CD2 4.2Å; Q71-F101 VanDerWaalsContact CA-CD2 3.43Å; Q71-F101 HydrophobicContact CB-CD1 4.4Å; Q71-F101 HydrophobicContact CB-CD2 3.66Å; Q71-F101 HydrophobicContact CB-CE1 4.49Å; Q71-F101 HydrophobicContact CB-CE2 3.75Å; Q71-F101 HydrophobicContact CB-CG 4Å; Q71-F101 HydrophobicContact CB-CZ 4.18Å; Q71-F101 HydrophobicContact CG-CD1 3.97Å; Q71-F101 HydrophobicContact CG-CD2 4.14Å; Q71-F101 HydrophobicContact CG-CE1 4Å; Q71-F101 HydrophobicContact CG-CE2 4.15Å; Q71-F101 HydrophobicContact CG-CG 4.05Å; Q71-F101 HydrophobicContact CG-CZ 4.08Å; G99-F101 PolarHBondContact O-N 2.77Å; F101-F103 VanDerWaalsContact C-N 3.33Å; F101-F103 PolarHBondContact O-N 3.17Å; F101-C104 WeakPolarHBondContact O-CB 3.24Å; F101-C104 PolarHBondContact O-N 2.84Å; F101-S105 VanDerWaalsContact O-CB 3.3Å; F101-S105 WeakPolarHBondContact O-CB 3.05Å; F101-S105 PolarHBondContact O-N 3.22Å
102	E	98.2	Very high	97.7	Very high	91 Å²	91	25.9 Å²	25.9	43%	0.425	15%	0.146	S	C	.	.	H	α-helix	trans	-64.2	-38.4	177.4	-64.2	82.5	169.6	0	0	111.4	F16 G99 L100 S105 R106	F16-E102 HydrophobicContact CE1-CB 4.1Å; F16-E102 HydrophobicContact CZ-CB 4.06Å; G99-E102 WeakPolarHBondContact CA-OE2 3.48Å; G99-E102 PolarHBondContact O-N 2.91Å; L100-E102 VanDerWaalsContact C-N 3.35Å; E102-S105 PolarHBondContact O-N 3.38Å; E102-R106 VanDerWaalsContact O-CG 3.27Å; E102-R106 WeakPolarHBondContact O-CG 3.25Å; E102-R106 PolarHBondContact O-N 3.16Å
103	F	98.2	Very high	98	Very high	7 Å²	7	19.4 Å²	19.4	3%	0.031	11%	0.11	C	C	.	.	H	α-helix	trans	-60.3	-49.2	171.4	180	-115.2	0	0	0	110.7	V13 F16 Y18 P26 F97 G99 L100 F101 S105 R106 Y107	V13-F103 HydrophobicContact CG2-CD2 4.33Å; V13-F103 HydrophobicContact CG2-CE2 4.09Å; F16-F103 HydrophobicContact CB-CB 4.37Å; F16-F103 HydrophobicContact CB-CD2 3.82Å; F16-F103 HydrophobicContact CB-CE2 4.43Å; F16-F103 HydrophobicContact CB-CG 4.2Å; F16-F103 HydrophobicContact CD1-CB 3.66Å; F16-F103 HydrophobicContact CD1-CD2 4.43Å; F16-F103 HydrophobicContact CD1-CG 4.38Å; F16-F103 HydrophobicContact CD2-CB 4.04Å; F16-F103 AromaticContact CD2-CD2 3.44Å; F16-F103 HydrophobicContact CD2-CD2 3.44Å; F16-F103 VanDerWaalsContact CD2-CD2 3.44Å; F16-F103 HydrophobicContact CD2-CE2 4.34Å; F16-F103 HydrophobicContact CD2-CG 4.15Å; F16-F103 HydrophobicContact CE1-CB 3.83Å; F16-F103 HydrophobicContact CE2-CB 4.2Å; F16-F103 HydrophobicContact CE2-CD2 4.05Å; F16-F103 HydrophobicContact CG-CB 3.75Å; F16-F103 AromaticContact CG-CD2 3.64Å; F16-F103 HydrophobicContact CG-CD2 3.64Å; F16-F103 AromaticContact CG-CG 3.98Å; F16-F103 HydrophobicContact CG-CG 3.98Å; F16-F103 HydrophobicContact CZ-CB 4.09Å; Y18-F103 HydrophobicContact CE2-CD1 4.4Å; Y18-F103 AromaticContact CE2-CE1 3.94Å; Y18-F103 HydrophobicContact CE2-CE1 3.94Å; Y18-F103 HydrophobicContact CE2-CZ 4.38Å; Y18-F103 WeakPolarHBondContact OH-CE1 3.47Å; P26-F103 HydrophobicContact CB-CE2 4.13Å; P26-F103 HydrophobicContact CG-CE2 4.14Å; P26-F103 HydrophobicContact CG-CZ 4.19Å; F97-F103 HydrophobicContact CE2-CB 4.01Å; F97-F103 HydrophobicContact CE2-CD1 4.43Å; F97-F103 HydrophobicContact CE2-CG 4.35Å; F97-F103 HydrophobicContact CZ-CB 4.17Å; F97-F103 AromaticContact CZ-CD1 3.8Å; F97-F103 HydrophobicContact CZ-CD1 3.8Å; F97-F103 HydrophobicContact CZ-CG 4.17Å; G99-F103 PolarHBondContact O-N 3.47Å; L100-F103 WeakPolarHBondContact O-CB 3.09Å; L100-F103 PolarHBondContact O-N 3.31Å; F101-F103 VanDerWaalsContact C-N 3.33Å; F101-F103 PolarHBondContact O-N 3.17Å; F103-S105 VanDerWaalsContact C-N 3.3Å; F103-S105 PolarHBondContact O-N 3.3Å; F103-R106 PolarHBondContact O-N 2.96Å; F103-Y107 AromaticContact CD1-CD1 3.98Å; F103-Y107 HydrophobicContact CD1-CD1 3.98Å; F103-Y107 AromaticContact CD1-CE1 3.64Å; F103-Y107 HydrophobicContact CD1-CE1 3.64Å; F103-Y107 HydrophobicContact CD2-CD1 4.41Å; F103-Y107 AromaticContact CE1-CD1 3.76Å; F103-Y107 HydrophobicContact CE1-CD1 3.76Å; F103-Y107 AromaticContact CE1-CE1 3.54Å; F103-Y107 HydrophobicContact CE1-CE1 3.54Å; F103-Y107 HydrophobicContact CE2-CD1 4.25Å; F103-Y107 HydrophobicContact CG-CD1 4.29Å; F103-Y107 HydrophobicContact CG-CE1 4.31Å; F103-Y107 AromaticContact CZ-CD1 3.92Å; F103-Y107 HydrophobicContact CZ-CD1 3.92Å; F103-Y107 HydrophobicContact CZ-CE1 4.17Å; F103-Y107 WeakPolarHBondContact O-CD1 3.17Å; F103-Y107 PolarHBondContact O-N 3.04Å
104	C	98.6	Very high	98.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-58	-43.6	177.1	-61	0	0	0	0	112.5	M58 L100 F101 R106 Y107 T108 V147	M58-C104 HydrophobicContact CE-CB 4.02Å; L100-C104 PolarHBondContact O-N 3.04Å; L100-C104 VanDerWaalsContact O-N 3.1Å; L100-C104 PolarHBondContact O-SG 3.11Å; F101-C104 WeakPolarHBondContact O-CB 3.24Å; F101-C104 PolarHBondContact O-N 2.84Å; C104-R106 PolarHBondContact O-N 3.4Å; C104-Y107 HydrophobicContact CB-CE1 4.2Å; C104-Y107 PolarHBondContact SG-OH 3.47Å; C104-Y107 VanDerWaalsContact SG-OH 3.38Å; C104-T108 WeakPolarHBondContact O-CB 3.21Å; C104-T108 PolarHBondContact O-N 2.94Å; C104-T108 VanDerWaalsContact O-N 3.1Å; C104-T108 PolarHBondContact O-OG1 3.25Å; C104-V147 HydrophobicContact CB-CB 4.31Å; C104-V147 HydrophobicContact CB-CG2 3.8Å
105	S	98.5	Very high	98.2	Very high	7 Å²	7	17.3 Å²	17.3	5%	0.049	10%	0.099	C	C	.	.	H	α-helix	trans	-62.4	-42.5	179.9	-175.4	0	0	0	0	112.4	Q52 A53 M58 F101 E102 F103 G109	Q52-S105 VanDerWaalsContact C-OG 3.28Å; Q52-S105 VanDerWaalsContact CB-OG 3.3Å; Q52-S105 WeakPolarHBondContact CB-OG 3.31Å; A53-S105 WeakPolarHBondContact CB-O 3.28Å; A53-S105 PolarHBondContact N-O 3.47Å; A53-S105 PolarHBondContact N-OG 2.88Å; A53-S105 VanDerWaalsContact N-OG 3.12Å; A53-S105 WeakPolarHBondContact O-CB 3.49Å; A53-S105 PolarHBondContact O-OG 2.74Å; M58-S105 VanDerWaalsContact CE-N 3.34Å; F101-S105 VanDerWaalsContact O-CB 3.3Å; F101-S105 WeakPolarHBondContact O-CB 3.05Å; F101-S105 PolarHBondContact O-N 3.22Å; E102-S105 PolarHBondContact O-N 3.38Å; F103-S105 VanDerWaalsContact C-N 3.3Å; F103-S105 PolarHBondContact O-N 3.3Å; S105-G109 PolarHBondContact O-N 3.41Å
106	R	98.3	Very high	98.2	Very high	32 Å²	32	16.1 Å²	16.1	12%	0.121	9%	0.091	C	C	.	.	H	α-helix	trans	-68.6	-51.3	-177.8	-71.5	171.4	-167.5	-103.8	18.7	113	D10 D12 Q52 E102 F103 C104 T108 G109 A110	D10-R106 IonicContact OD1-CZ 3.7Å; D10-R106 IonicContact OD1-NH1 3.11Å; D10-R106 PolarHBondContact OD1-NH1 3.42Å; D10-R106 IonicContact OD2-CZ 3.36Å; D10-R106 IonicContact OD2-NE 3.97Å; D10-R106 IonicContact OD2-NH1 2.66Å; D10-R106 PolarHBondContact OD2-NH1 2.84Å; D12-R106 IonicContact OD2-CZ 3.1Å; D12-R106 VanDerWaalsContact OD2-CZ 3.26Å; D12-R106 IonicContact OD2-NH1 3.74Å; D12-R106 PolarHBondContact OD2-NH1 2.87Å; D12-R106 IonicContact OD2-NH2 3.87Å; D12-R106 PolarHBondContact OD2-NH2 2.9Å; Q52-R106 HydrophobicContact CG-CG 3.9Å; E102-R106 VanDerWaalsContact O-CG 3.27Å; E102-R106 WeakPolarHBondContact O-CG 3.25Å; E102-R106 PolarHBondContact O-N 3.16Å; F103-R106 PolarHBondContact O-N 2.96Å; C104-R106 PolarHBondContact O-N 3.4Å; R106-T108 VanDerWaalsContact C-N 3.35Å; R106-T108 PolarHBondContact O-N 3.44Å; R106-G109 PolarHBondContact O-N 3.3Å; R106-A110 PolarHBondContact O-N 3.42Å; R106-A110 VanDerWaalsContact O-N 3.15Å
107	Y	98.4	Very high	98.2	Very high	1 Å²	1	15.2 Å²	15.2	0%	0.004	9%	0.086	C	C	.	.	H	α-helix	trans	-70.1	-34.3	-179.3	68.3	-111.9	0	0	0	112.1	F103 C104 A110 S111 N128 A130 L133 V147 D149	F103-Y107 AromaticContact CD1-CD1 3.98Å; F103-Y107 HydrophobicContact CD1-CD1 3.98Å; F103-Y107 AromaticContact CD1-CE1 3.64Å; F103-Y107 HydrophobicContact CD1-CE1 3.64Å; F103-Y107 HydrophobicContact CD2-CD1 4.41Å; F103-Y107 AromaticContact CE1-CD1 3.76Å; F103-Y107 HydrophobicContact CE1-CD1 3.76Å; F103-Y107 AromaticContact CE1-CE1 3.54Å; F103-Y107 HydrophobicContact CE1-CE1 3.54Å; F103-Y107 HydrophobicContact CE2-CD1 4.25Å; F103-Y107 HydrophobicContact CG-CD1 4.29Å; F103-Y107 HydrophobicContact CG-CE1 4.31Å; F103-Y107 AromaticContact CZ-CD1 3.92Å; F103-Y107 HydrophobicContact CZ-CD1 3.92Å; F103-Y107 HydrophobicContact CZ-CE1 4.17Å; F103-Y107 WeakPolarHBondContact O-CD1 3.17Å; F103-Y107 PolarHBondContact O-N 3.04Å; C104-Y107 HydrophobicContact CB-CE1 4.2Å; C104-Y107 PolarHBondContact SG-OH 3.47Å; C104-Y107 VanDerWaalsContact SG-OH 3.38Å; Y107-A110 PolarHBondContact O-N 3.44Å; Y107-S111 PolarHBondContact O-N 3.08Å; Y107-S111 VanDerWaalsContact O-N 3.15Å; Y107-S111 PolarHBondContact O-OG 3.39Å; Y107-N128 PolarHBondContact O-ND2 3.22Å; Y107-A130 WeakPolarHBondContact CB-O 3.47Å; Y107-L133 HydrophobicContact CD1-CD2 4.25Å; Y107-L133 HydrophobicContact CD2-CD2 3.66Å; Y107-L133 HydrophobicContact CD2-CG 4.43Å; Y107-L133 HydrophobicContact CE1-CD2 4.31Å; Y107-L133 HydrophobicContact CE1-CG 4.37Å; Y107-L133 HydrophobicContact CE2-CB 4.45Å; Y107-L133 HydrophobicContact CE2-CD2 3.79Å; Y107-L133 HydrophobicContact CE2-CG 4.07Å; Y107-L133 HydrophobicContact CG-CD2 3.95Å; Y107-V147 HydrophobicContact CE2-CB 4.17Å; Y107-V147 WeakPolarHBondContact CE2-O 3.39Å; Y107-V147 WeakPolarHBondContact OH-CB 3.41Å; Y107-V147 PolarHBondContact OH-N 3.16Å; Y107-V147 PolarHBondContact OH-O 2.88Å; Y107-D149 HydrophobicContact CD2-CB 3.75Å; Y107-D149 HydrophobicContact CE2-CB 3.95Å
108	T	98.7	Very high	98.2	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.006	9%	0.086	C	C	.	.	H	α-helix	trans	-68.6	-41.9	178	-56.3	0	0	0	0	110.9	A53 M58 C104 R106 A110 S111 L112 V147 D149 I152	A53-T108 HydrophobicContact CB-CG2 3.78Å; M58-T108 HydrophobicContact CG-CG2 4.45Å; C104-T108 WeakPolarHBondContact O-CB 3.21Å; C104-T108 PolarHBondContact O-N 2.94Å; C104-T108 VanDerWaalsContact O-N 3.1Å; C104-T108 PolarHBondContact O-OG1 3.25Å; R106-T108 VanDerWaalsContact C-N 3.35Å; R106-T108 PolarHBondContact O-N 3.44Å; T108-A110 VanDerWaalsContact C-N 3.31Å; T108-A110 PolarHBondContact O-N 2.81Å; T108-S111 PolarHBondContact O-N 3.26Å; T108-L112 VanDerWaalsContact O-CB 3.31Å; T108-L112 WeakPolarHBondContact O-CB 3.37Å; T108-L112 PolarHBondContact O-N 3.24Å; T108-V147 HydrophobicContact CG2-CG1 4.18Å; T108-V147 WeakPolarHBondContact OG1-CG1 3.43Å; T108-D149 HydrophobicContact CG2-CB 4.45Å; T108-I152 HydrophobicContact CG2-CD1 3.71Å; T108-I152 HydrophobicContact CG2-CG2 4.35Å
109	G	98.4	Very high	98.2	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.3	-38.5	177.7	0	0	0	0	0	112.2	Y51 S105 R106 L112 Q113	Y51-G109 VanDerWaalsContact CE1-O 3.23Å; Y51-G109 WeakPolarHBondContact CE1-O 3.29Å; Y51-G109 WeakPolarHBondContact O-CA 3.26Å; S105-G109 PolarHBondContact O-N 3.41Å; R106-G109 PolarHBondContact O-N 3.3Å; G109-L112 PolarHBondContact O-N 2.69Å; G109-Q113 VanDerWaalsContact O-CB 3.22Å; G109-Q113 WeakPolarHBondContact O-CB 3.29Å; G109-Q113 PolarHBondContact O-N 3.48Å
110	A	98.5	Very high	98.2	Very high	2 Å²	2	12.5 Å²	12.5	2%	0.017	6%	0.06	C	C	.	.	H	α-helix	trans	-62.1	-48.6	173.8	0	0	0	0	0	113.1	F8 P50 R106 Y107 T108 L112 Q113 G114 N128	F8-A110 HydrophobicContact CB-CB 3.86Å; P50-A110 HydrophobicContact CB-CB 3.67Å; P50-A110 HydrophobicContact CG-CB 3.82Å; R106-A110 PolarHBondContact O-N 3.42Å; R106-A110 VanDerWaalsContact O-N 3.15Å; Y107-A110 PolarHBondContact O-N 3.44Å; T108-A110 VanDerWaalsContact C-N 3.31Å; T108-A110 PolarHBondContact O-N 2.81Å; A110-L112 PolarHBondContact O-N 3.47Å; A110-Q113 PolarHBondContact O-N 3.06Å; A110-G114 PolarHBondContact O-N 3.05Å; A110-N128 HydrophobicContact CB-CB 4.17Å; A110-N128 WeakPolarHBondContact CB-ND2 3.47Å; A110-N128 WeakPolarHBondContact CB-OD1 3.12Å
111	S	98.8	Very high	98.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63	-41.8	176.6	-67.9	0	0	0	0	111.9	Y107 T108 G114 A115 N128 D149 L293	Y107-S111 PolarHBondContact O-N 3.08Å; Y107-S111 VanDerWaalsContact O-N 3.15Å; Y107-S111 PolarHBondContact O-OG 3.39Å; T108-S111 PolarHBondContact O-N 3.26Å; S111-G114 PolarHBondContact O-N 3.47Å; S111-A115 WeakPolarHBondContact O-CB 3.37Å; S111-A115 PolarHBondContact O-N 2.83Å; S111-N128 PolarHBondContact N-ND2 3.19Å; S111-N128 PolarHBondContact OG-ND2 3.13Å; S111-D149 WeakPolarHBondContact CB-OD2 3.43Å; S111-D149 PolarHBondContact OG-OD2 3.22Å; S111-L293 VanDerWaalsContact OG-CD2 3.3Å; S111-L293 WeakPolarHBondContact OG-CD2 3.3Å
112	L	98.4	Very high	98	Very high	1 Å²	1	23 Å²	23	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-69.6	-39.8	-179.7	-173.2	45.4	0	0	0	112.1	Y51 D57 T108 G109 A110 A115 T116 I152 E156 L384	Y51-L112 VanDerWaalsContact OH-CD2 3.23Å; Y51-L112 WeakPolarHBondContact OH-CD2 3.42Å; Y51-L112 WeakPolarHBondContact OH-CG 3.49Å; D57-L112 HydrophobicContact CB-CD2 3.91Å; T108-L112 VanDerWaalsContact O-CB 3.31Å; T108-L112 WeakPolarHBondContact O-CB 3.37Å; T108-L112 PolarHBondContact O-N 3.24Å; G109-L112 PolarHBondContact O-N 2.69Å; A110-L112 PolarHBondContact O-N 3.47Å; L112-A115 PolarHBondContact O-N 2.71Å; L112-T116 WeakPolarHBondContact O-CB 3.34Å; L112-T116 PolarHBondContact O-N 2.88Å; L112-T116 PolarHBondContact O-OG1 2.96Å; L112-I152 HydrophobicContact CD1-CG2 4.3Å; L112-I152 HydrophobicContact CD2-CG2 3.81Å; L112-I152 HydrophobicContact CG-CG2 4.49Å; L112-E156 HydrophobicContact CD1-CB 3.47Å; L112-E156 VanDerWaalsContact CD1-CB 3.47Å; L112-E156 HydrophobicContact CD1-CG 3.63Å; L112-L384 HydrophobicContact CD2-CD2 3.53Å; L112-L384 HydrophobicContact CG-CD2 3.74Å
113	Q	98.3	Very high	97.9	Very high	21 Å²	21	18.8 Å²	18.8	10%	0.098	9%	0.089	C	C	.	.	H	α-helix	trans	-65.3	-41.3	173.7	-170.8	170.5	-5	0	0	111.6	F8 Y51 G109 A110 T116 Q117 L385	F8-Q113 HydrophobicContact CD1-CB 4.38Å; F8-Q113 HydrophobicContact CD1-CG 4.33Å; F8-Q113 HydrophobicContact CE1-CB 3.9Å; F8-Q113 HydrophobicContact CE1-CG 3.52Å; F8-Q113 HydrophobicContact CZ-CB 4.44Å; F8-Q113 HydrophobicContact CZ-CG 4.14Å; Y51-Q113 HydrophobicContact CD1-CB 3.99Å; Y51-Q113 HydrophobicContact CE1-CB 4.01Å; G109-Q113 VanDerWaalsContact O-CB 3.22Å; G109-Q113 WeakPolarHBondContact O-CB 3.29Å; G109-Q113 PolarHBondContact O-N 3.48Å; A110-Q113 PolarHBondContact O-N 3.06Å; Q113-T116 PolarHBondContact O-N 2.93Å; Q113-Q117 WeakPolarHBondContact O-CG 3.23Å; Q113-Q117 PolarHBondContact O-N 2.85Å; Q113-L385 HydrophobicContact CB-CD1 4.3Å; Q113-L385 HydrophobicContact CG-CD1 3.7Å
114	G	98.5	Very high	97.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-58.3	-49.1	173.6	0	0	0	0	0	112.4	F8 A110 S111 T116 Q117 L118	F8-G114 VanDerWaalsContact CE2-CA 3.46Å; A110-G114 PolarHBondContact O-N 3.05Å; S111-G114 PolarHBondContact O-N 3.47Å; G114-T116 VanDerWaalsContact C-N 3.34Å; G114-T116 PolarHBondContact O-N 3.4Å; G114-Q117 PolarHBondContact O-N 3.27Å; G114-L118 WeakPolarHBondContact O-CG 3.48Å; G114-L118 PolarHBondContact O-N 2.8Å
115	A	98.7	Very high	98	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-58.4	-43.4	174.4	0	0	0	0	0	112.6	S111 L112 Q117 L118 N119 G153 E156 L157	S111-A115 WeakPolarHBondContact O-CB 3.37Å; S111-A115 PolarHBondContact O-N 2.83Å; L112-A115 PolarHBondContact O-N 2.71Å; A115-Q117 PolarHBondContact O-N 2.92Å; A115-L118 PolarHBondContact O-N 2.82Å; A115-N119 PolarHBondContact O-N 2.82Å; A115-G153 WeakPolarHBondContact CB-O 3.49Å; A115-E156 HydrophobicContact CB-CB 3.92Å; A115-E156 HydrophobicContact CB-CG 4.07Å; A115-L157 HydrophobicContact CB-CD2 4.02Å; A115-L157 HydrophobicContact CB-CG 3.91Å
116	T	97.7	Very high	98	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-65.3	-38.5	178.7	-47.4	0	0	0	0	111.6	L112 Q113 G114 N119 N120 L385 Y387	L112-T116 WeakPolarHBondContact O-CB 3.34Å; L112-T116 PolarHBondContact O-N 2.88Å; L112-T116 PolarHBondContact O-OG1 2.96Å; Q113-T116 PolarHBondContact O-N 2.93Å; G114-T116 VanDerWaalsContact C-N 3.34Å; G114-T116 PolarHBondContact O-N 3.4Å; T116-N119 PolarHBondContact O-N 2.93Å; T116-N120 WeakPolarHBondContact O-CB 3.11Å; T116-N120 PolarHBondContact O-N 2.92Å; T116-N120 VanDerWaalsContact O-N 3.1Å; T116-N120 PolarHBondContact O-ND2 3.32Å; T116-L385 HydrophobicContact CG2-CB 4.36Å; T116-Y387 HydrophobicContact CG2-CE2 3.74Å
117	Q	97.2	Very high	98	Very high	1 Å²	1	20 Å²	20	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-68	-36.9	176.3	-74.9	-165.6	33.9	0	0	112.8	F8 Q113 G114 A115 N120 K121 I122 Y387	F8-Q117 HydrophobicContact CZ-CG 4.39Å; F8-Q117 VanDerWaalsContact CZ-NE2 3.33Å; Q113-Q117 WeakPolarHBondContact O-CG 3.23Å; Q113-Q117 PolarHBondContact O-N 2.85Å; G114-Q117 PolarHBondContact O-N 3.27Å; A115-Q117 PolarHBondContact O-N 2.92Å; Q117-N120 CarbonylContact O-C 3.42Å; Q117-N120 PolarHBondContact O-N 3.37Å; Q117-K121 PolarHBondContact O-N 3.34Å; Q117-K121 VanDerWaalsContact O-N 3.08Å; Q117-I122 HydrophobicContact CB-CB 4.07Å; Q117-I122 HydrophobicContact CB-CG2 4.48Å; Q117-I122 HydrophobicContact CG-CB 4.26Å; Q117-I122 HydrophobicContact CG-CD1 4.16Å; Q117-I122 HydrophobicContact CG-CG2 4.27Å; Q117-I122 PolarHBondContact O-N 3.29Å; Q117-Y387 VanDerWaalsContact CG-OH 3.23Å; Q117-Y387 WeakPolarHBondContact CG-OH 3.48Å
118	L	98.2	Very high	98	Very high	5 Å²	5	20 Å²	20	3%	0.026	10%	0.097	C	C	.	.	H	α-helix	trans	-63.6	-47.3	173.7	-70.8	169	0	0	0	111.2	G114 A115 N120 K121 D124 A126 L157 P289 L291	G114-L118 WeakPolarHBondContact O-CG 3.48Å; G114-L118 PolarHBondContact O-N 2.8Å; A115-L118 PolarHBondContact O-N 2.82Å; L118-N120 VanDerWaalsContact C-N 3.25Å; L118-N120 PolarHBondContact O-N 2.91Å; L118-K121 PolarHBondContact O-N 2.94Å; L118-D124 WeakPolarHBondContact CD2-O 3.5Å; L118-A126 HydrophobicContact CD1-CB 4.07Å; L118-A126 HydrophobicContact CD2-CB 4.47Å; L118-A126 HydrophobicContact CG-CB 4.11Å; L118-L157 HydrophobicContact CB-CD2 4.05Å; L118-L157 HydrophobicContact CD1-CD2 4.18Å; L118-P289 HydrophobicContact CD2-CB 4.16Å; L118-L291 HydrophobicContact CD1-CB 3.76Å
119	N	97.7	Very high	98	Very high	10 Å²	10	20.3 Å²	20.3	5%	0.053	10%	0.098	C	C	.	.	H	α-helix	trans	-55.3	-41.4	175.5	-78.9	-17.2	0	0	0	112.6	A115 T116 K121 E156 L157 Y160 H161	A115-N119 PolarHBondContact O-N 2.82Å; T116-N119 PolarHBondContact O-N 2.93Å; N119-K121 VanDerWaalsContact C-N 3.3Å; N119-K121 PolarHBondContact O-N 3.44Å; N119-E156 PolarHBondContact ND2-O 2.76Å; N119-L157 WeakPolarHBondContact OD1-CA 3.43Å; N119-L157 PolarHBondContact OD1-O 2.95Å; N119-Y160 HydrophobicContact CB-CD2 3.46Å; N119-Y160 VanDerWaalsContact CB-CD2 3.46Å; N119-Y160 HydrophobicContact CB-CE2 3.85Å; N119-Y160 HydrophobicContact CB-CG 4Å; N119-Y160 VanDerWaalsContact ND2-CD2 3.34Å; N119-Y160 WeakPolarHBondContact ND2-CD2 3.34Å; N119-H161 PolarHBondContact OD1-CD2 3.17Å; N119-H161 PolarHBondContact OD1-NE2 2.78Å
120	N	96.4	Very high	98	Very high	57 Å²	57	20.9 Å²	20.9	31%	0.305	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	5.1	-179.6	-78.1	-80	0	0	0	114	T116 Q117 L118 I122 D383 Y387	T116-N120 WeakPolarHBondContact O-CB 3.11Å; T116-N120 PolarHBondContact O-N 2.92Å; T116-N120 VanDerWaalsContact O-N 3.1Å; T116-N120 PolarHBondContact O-ND2 3.32Å; Q117-N120 CarbonylContact O-C 3.42Å; Q117-N120 PolarHBondContact O-N 3.37Å; L118-N120 VanDerWaalsContact C-N 3.25Å; L118-N120 PolarHBondContact O-N 2.91Å; N120-I122 HydrophobicContact CB-CD1 3.93Å; N120-I122 HydrophobicContact CB-CG1 4.03Å; N120-I122 PolarHBondContact O-N 3.47Å; N120-D383 PolarHBondContact ND2-OD2 3.48Å; N120-D383 PolarHBondContact OD1-OD2 3.46Å; N120-Y387 HydrophobicContact CB-CD2 4.25Å
121	K	95.9	Very high	98	Very high	189 Å²	189	20.9 Å²	20.9	82%	0.822	10%	0.103	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	31.2	179.4	-51.7	177.2	-176.3	174.2	0	113.6	Q117 L118 N119	Q117-K121 PolarHBondContact O-N 3.34Å; Q117-K121 VanDerWaalsContact O-N 3.08Å; L118-K121 PolarHBondContact O-N 2.94Å; N119-K121 VanDerWaalsContact C-N 3.3Å; N119-K121 PolarHBondContact O-N 3.44Å
122	I	96	Very high	98	Very high	57 Å²	57	20.9 Å²	20.9	29%	0.292	10%	0.104	S	C	.	.	S	Bend	trans	-76.3	-33.8	175.5	-64.5	170.6	0	0	0	109.9	Q117 N120 Y387	Q117-I122 HydrophobicContact CB-CB 4.07Å; Q117-I122 HydrophobicContact CB-CG2 4.48Å; Q117-I122 HydrophobicContact CG-CB 4.26Å; Q117-I122 HydrophobicContact CG-CD1 4.16Å; Q117-I122 HydrophobicContact CG-CG2 4.27Å; Q117-I122 PolarHBondContact O-N 3.29Å; N120-I122 HydrophobicContact CB-CD1 3.93Å; N120-I122 HydrophobicContact CB-CG1 4.03Å; N120-I122 PolarHBondContact O-N 3.47Å; I122-Y387 HydrophobicContact CD1-CD1 3.35Å; I122-Y387 HydrophobicContact CD1-CD2 3.97Å; I122-Y387 HydrophobicContact CD1-CE1 3.24Å; I122-Y387 HydrophobicContact CD1-CE2 3.87Å; I122-Y387 HydrophobicContact CD1-CG 3.71Å
123	C	97.5	Very high	98	Very high	4 Å²	4	21.1 Å²	21.1	3%	0.027	11%	0.105	C	C	.	.			trans	-135.2	161.1	171.5	61.4	0	0	0	0	110.7	T4 A6	T4-C123 HydrophobicContact CG2-CB 4.19Å; T4-C123 WeakPolarHBondContact O-CB 3.28Å; A6-C123 HydrophobicContact CB-CB 3.78Å
124	D	98.4	Very high	98.1	Very high	72 Å²	72	20.3 Å²	20.3	39%	0.385	10%	0.101	S	C	.	.	S	Bend	trans	-93.5	-27	171.1	-58	-66.7	0	0	0	111.4	K3 T4 L118 P289 L290	K3-D124 WeakPolarHBondContact CA-OD2 3.35Å; K3-D124 HydrophobicContact CB-CB 4.12Å; K3-D124 HydrophobicContact CD-CB 4.39Å; K3-D124 HydrophobicContact CG-CB 4.33Å; T4-D124 PolarHBondContact N-OD2 3.1Å; T4-D124 PolarHBondContact O-N 3.47Å; L118-D124 WeakPolarHBondContact CD2-O 3.5Å; D124-P289 WeakPolarHBondContact O-CA 3.26Å; D124-L290 PolarHBondContact O-N 2.93Å
125	I	98.8	Very high	98.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	129.7	179.7	-57.1	178.8	0	0	0	108.4	K3 T4 V5 A6 I127 K284 L290 V292 L314	K3-I125 HydrophobicContact CD-CD1 3.84Å; K3-I125 HydrophobicContact CD-CG1 4.24Å; T4-I125 PolarHBondContact O-N 3.11Å; V5-I125 CarbonylContact C-O 3.6Å; V5-I125 WeakPolarHBondContact CA-O 3.47Å; V5-I125 HydrophobicContact CG1-CB 4.34Å; V5-I125 HydrophobicContact CG1-CG2 4.27Å; V5-I125 HydrophobicContact CG2-CB 4.19Å; V5-I125 HydrophobicContact CG2-CD1 4.29Å; A6-I125 PolarHBondContact N-O 2.97Å; I125-I127 HydrophobicContact CG2-CG1 4.12Å; I125-K284 HydrophobicContact CD1-CD 4.38Å; I125-K284 HydrophobicContact CD1-CG 4.07Å; I125-L290 CarbonylContact C-O 3.38Å; I125-L290 VanDerWaalsContact CA-O 3.25Å; I125-L290 WeakPolarHBondContact CA-O 3.12Å; I125-L290 HydrophobicContact CG1-CB 4.32Å; I125-V292 HydrophobicContact CG2-CG2 4.18Å; I125-L314 HydrophobicContact CD1-CD2 4.12Å; I125-L314 HydrophobicContact CG2-CD2 4.03Å
126	A	98.8	Very high	98.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.2	172.5	0	0	0	0	0	109.6	A6 F8 L118 L290 L291 V292	A6-A126 CarbonylContact O-C 3.57Å; A6-A126 WeakPolarHBondContact O-CA 3.41Å; F8-A126 HydrophobicContact CE2-CB 3.94Å; L118-A126 HydrophobicContact CD1-CB 4.07Å; L118-A126 HydrophobicContact CD2-CB 4.47Å; L118-A126 HydrophobicContact CG-CB 4.11Å; A126-L290 PolarHBondContact N-O 3.22Å; A126-L291 HydrophobicContact CB-CD1 3.77Å; A126-L291 CarbonylContact O-C 3.53Å; A126-L291 WeakPolarHBondContact O-CA 3.49Å; A126-V292 PolarHBondContact O-N 3.07Å
127	I	98.9	Very high	98.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	122	-177.7	-55	176.1	0	0	0	109.8	V5 A6 Y7 F8 I125 W129 V292 T311 L314	V5-I127 HydrophobicContact CG1-CD1 3.6Å; V5-I127 HydrophobicContact CG1-CG1 4.09Å; A6-I127 PolarHBondContact O-N 3.5Å; Y7-I127 HydrophobicContact CD2-CB 4.03Å; Y7-I127 HydrophobicContact CD2-CG2 3.88Å; Y7-I127 HydrophobicContact CE2-CG2 4.29Å; F8-I127 WeakPolarHBondContact CD2-O 3.4Å; F8-I127 PolarHBondContact N-O 3.47Å; I125-I127 HydrophobicContact CG2-CG1 4.12Å; I127-W129 HydrophobicContact CG2-CD2 3.81Å; I127-W129 HydrophobicContact CG2-CG 4.12Å; I127-W129 HydrophobicContact CG2-CH2 4.41Å; I127-W129 HydrophobicContact CG2-CZ2 3.67Å; I127-V292 WeakPolarHBondContact CA-O 3.32Å; I127-V292 HydrophobicContact CG1-CB 4.46Å; I127-T311 HydrophobicContact CD1-CG2 4.41Å; I127-L314 HydrophobicContact CD1-CB 4.07Å; I127-L314 HydrophobicContact CD1-CD1 3.55Å; I127-L314 HydrophobicContact CD1-CG 4.44Å; I127-L314 HydrophobicContact CG1-CD1 3.91Å
128	N	98.8	Very high	98.2	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	89.2	170	175.5	28.6	0	0	0	111.1	Y107 A110 S111 A130 G131 V292 L293 G294	Y107-N128 PolarHBondContact O-ND2 3.22Å; A110-N128 HydrophobicContact CB-CB 4.17Å; A110-N128 WeakPolarHBondContact CB-ND2 3.47Å; A110-N128 WeakPolarHBondContact CB-OD1 3.12Å; S111-N128 PolarHBondContact N-ND2 3.19Å; S111-N128 PolarHBondContact OG-ND2 3.13Å; N128-A130 PolarHBondContact O-N 2.97Å; N128-A130 WeakPolarHBondContact OD1-CB 3.42Å; N128-A130 PolarHBondContact OD1-N 3.14Å; N128-G131 WeakPolarHBondContact ND2-CA 3.41Å; N128-G131 PolarHBondContact ND2-N 3.04Å; N128-G131 PolarHBondContact O-N 3.24Å; N128-G131 VanDerWaalsContact O-N 3.17Å; N128-G131 PolarHBondContact OD1-N 3.41Å; N128-V292 PolarHBondContact N-O 2.8Å; N128-L293 HydrophobicContact CB-CD2 3.94Å; N128-L293 WeakPolarHBondContact O-CA 3.34Å; N128-G294 PolarHBondContact O-N 3.03Å; N128-G294 VanDerWaalsContact O-N 3.16Å
129	W	98.8	Very high	98.2	Very high	6 Å²	6	31 Å²	31	2%	0.023	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-17.5	177.9	-61.5	130.9	0	0	0	114.2	Y7 L29 T32 I127 C256 V292 G294 W307 E310 T311 L314	Y7-W129 AromaticContact CE2-CD1 3.54Å; Y7-W129 AromaticContact CE2-NE1 3.69Å; L29-W129 VanDerWaalsContact CD2-C 3.49Å; L29-W129 HydrophobicContact CD2-CB 4.1Å; L29-W129 VanDerWaalsContact CD2-O 3.24Å; L29-W129 WeakPolarHBondContact CD2-O 3.4Å; T32-W129 HydrophobicContact CG2-CG 4.39Å; I127-W129 HydrophobicContact CG2-CD2 3.81Å; I127-W129 HydrophobicContact CG2-CG 4.12Å; I127-W129 HydrophobicContact CG2-CH2 4.41Å; I127-W129 HydrophobicContact CG2-CZ2 3.67Å; W129-C256 HydrophobicContact CZ3-CB 3.91Å; W129-V292 HydrophobicContact CH2-CG1 3.6Å; W129-V292 HydrophobicContact CZ3-CG1 3.66Å; W129-G294 WeakPolarHBondContact O-CA 3.32Å; W129-W307 HydrophobicContact CB-CD2 4.22Å; W129-W307 HydrophobicContact CB-CE3 3.73Å; W129-W307 HydrophobicContact CB-CZ3 4.04Å; W129-W307 HydrophobicContact CD2-CB 3.77Å; W129-W307 HydrophobicContact CD2-CD2 4.1Å; W129-W307 HydrophobicContact CD2-CE3 4.46Å; W129-W307 AromaticContact CD2-CG 3.82Å; W129-W307 HydrophobicContact CD2-CG 3.82Å; W129-W307 HydrophobicContact CE3-CB 4.02Å; W129-W307 AromaticContact CE3-CD1 3.67Å; W129-W307 AromaticContact CE3-CD2 3.86Å; W129-W307 HydrophobicContact CE3-CD2 3.86Å; W129-W307 AromaticContact CE3-CG 3.61Å; W129-W307 HydrophobicContact CE3-CG 3.61Å; W129-W307 AromaticContact CE3-NE1 3.96Å; W129-W307 HydrophobicContact CG-CB 4.17Å; W129-W307 HydrophobicContact CG-CD2 4.27Å; W129-W307 HydrophobicContact CG-CE3 4.15Å; W129-W307 HydrophobicContact CG-CG 4.33Å; W129-W307 HydrophobicContact CH2-CB 4.42Å; W129-W307 HydrophobicContact CH2-CG 4.49Å; W129-W307 HydrophobicContact CZ2-CB 4.18Å; W129-W307 WeakPolarHBondContact CZ2-O 3.45Å; W129-W307 HydrophobicContact CZ3-CB 4.34Å; W129-W307 AromaticContact CZ3-CD1 3.65Å; W129-W307 AromaticContact CZ3-CG 3.98Å; W129-W307 HydrophobicContact CZ3-CG 3.98Å; W129-W307 WeakPolarHBondContact O-CH2 3.22Å; W129-W307 WeakPolarHBondContact O-CZ3 3.21Å; W129-E310 HydrophobicContact CH2-CB 3.72Å; W129-E310 VanDerWaalsContact CH2-OE2 3.28Å; W129-E310 WeakPolarHBondContact CH2-OE2 3.46Å; W129-E310 HydrophobicContact CZ2-CB 4.06Å; W129-E310 WeakPolarHBondContact CZ3-OE2 3.27Å; W129-T311 WeakPolarHBondContact CZ2-OG1 3.39Å; W129-T311 PolarHBondContact NE1-OG1 3.17Å; W129-L314 HydrophobicContact CH2-CD1 4.35Å; W129-L314 HydrophobicContact CZ2-CD1 4.3Å
130	A	98.4	Very high	98.2	Very high	13 Å²	13	34.2 Å²	34.2	11%	0.107	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-22.6	176.7	0	0	0	0	0	113.4	V13 L29 Y107 N128 L133	V13-A130 HydrophobicContact CG2-CB 3.81Å; L29-A130 HydrophobicContact CD1-CB 3.79Å; L29-A130 HydrophobicContact CD2-CB 4.11Å; Y107-A130 WeakPolarHBondContact CB-O 3.47Å; N128-A130 PolarHBondContact O-N 2.97Å; N128-A130 WeakPolarHBondContact OD1-CB 3.42Å; N128-A130 PolarHBondContact OD1-N 3.14Å; A130-L133 WeakPolarHBondContact O-CD2 3.37Å
131	G	98.7	Very high	98.3	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.01	15%	0.148	C	C	.	.			trans	-84.5	-165.7	178.9	0	0	0	0	0	113.1	N128 L133 D149 G294 G295	N128-G131 WeakPolarHBondContact ND2-CA 3.41Å; N128-G131 PolarHBondContact ND2-N 3.04Å; N128-G131 PolarHBondContact O-N 3.24Å; N128-G131 VanDerWaalsContact O-N 3.17Å; N128-G131 PolarHBondContact OD1-N 3.41Å; G131-L133 VanDerWaalsContact C-CD2 3.46Å; G131-D149 WeakPolarHBondContact CA-OD2 3.47Å; G131-G294 CarbonylContact O-C 3.55Å; G131-G294 VanDerWaalsContact O-C 3.26Å; G131-G294 WeakPolarHBondContact O-CA 3.39Å; G131-G294 PolarHBondContact O-N 2.87Å; G131-G295 PolarHBondContact O-N 2.76Å
132	G	98.8	Very high	98.4	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.01	11%	0.113	C	C	.	.			trans	93.1	23.9	179.9	0	0	0	0	0	114.1	H134 D149 I150 Q255	G132-H134 VanDerWaalsContact C-N 3.29Å; G132-H134 PolarHBondContact O-N 2.82Å; G132-D149 PolarHBondContact N-OD1 3.01Å; G132-D149 VanDerWaalsContact N-OD1 3.15Å; G132-D149 PolarHBondContact N-OD2 2.97Å; G132-I150 VanDerWaalsContact C-CD1 3.49Å; G132-Q255 PolarHBondContact O-NE2 2.9Å
133	L	98.6	Very high	98.5	Very high	6 Å²	6	20.6 Å²	20.6	3%	0.031	10%	0.101	C	C	.	.			trans	-82.7	72.1	-174	-66.8	-53.1	0	0	0	110.6	Y107 A130 G131 H135 C145 D149	Y107-L133 HydrophobicContact CD1-CD2 4.25Å; Y107-L133 HydrophobicContact CD2-CD2 3.66Å; Y107-L133 HydrophobicContact CD2-CG 4.43Å; Y107-L133 HydrophobicContact CE1-CD2 4.31Å; Y107-L133 HydrophobicContact CE1-CG 4.37Å; Y107-L133 HydrophobicContact CE2-CB 4.45Å; Y107-L133 HydrophobicContact CE2-CD2 3.79Å; Y107-L133 HydrophobicContact CE2-CG 4.07Å; Y107-L133 HydrophobicContact CG-CD2 3.95Å; A130-L133 WeakPolarHBondContact O-CD2 3.37Å; G131-L133 VanDerWaalsContact C-CD2 3.46Å; L133-H135 PolarHBondContact O-N 3.1Å; L133-C145 VanDerWaalsContact CA-SG 3.52Å; L133-C145 HydrophobicContact CB-CB 3.87Å; L133-D149 PolarHBondContact N-OD1 3.31Å
134	H	98.8	Very high	98.5	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.019	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-13.5	-164.3	65	173.9	0	0	0	117.2	G132 N148 I150 D168 D170 H172 G174 G176 V177	G132-H134 VanDerWaalsContact C-N 3.29Å; G132-H134 PolarHBondContact O-N 2.82Å; H134-N148 PolarHBondContact O-ND2 3.18Å; H134-I150 HydrophobicContact CB-CD1 3.5Å; H134-D168 IonicContact CE1-OD2 4Å; H134-D168 IonicContact CG-OD2 2.8Å; H134-D168 IonicContact ND1-OD1 3.51Å; H134-D168 IonicContact ND1-OD2 3.67Å; H134-D168 PolarHBondContact ND1-OD2 3.32Å; H134-D170 VanDerWaalsContact CE1-CB 3.48Å; H134-D170 WeakPolarHBondContact CE1-CB 3.39Å; H134-D170 IonicContact CE1-OD1 2.77Å; H134-D170 IonicContact CE1-OD2 2.76Å; H134-D170 IonicContact NE2-OD1 2.74Å; H134-D170 IonicContact NE2-OD2 3.71Å; H134-H172 PolarHBondContact CE1-O 3.02Å; H134-G174 WeakPolarHBondContact ND1-CA 3.36Å; H134-G176 WeakPolarHBondContact O-CA 3.48Å; H134-G176 PolarHBondContact O-N 3.08Å; H134-V177 HydrophobicContact CB-CG2 3.94Å; H134-V177 PolarHBondContact O-N 2.83Å
135	H	98.8	Very high	98.5	Very high	4 Å²	4	18.5 Å²	18.5	2%	0.019	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-23.4	-175.3	-69.3	-51.1	0	0	0	113.6	L133 K137 S142 G143 C145 H172 H173 D175 F200	L133-H135 PolarHBondContact O-N 3.1Å; H135-K137 WeakPolarHBondContact O-CD 3.47Å; H135-K137 WeakPolarHBondContact O-CE 3.21Å; H135-K137 PolarHBondContact O-N 3.23Å; H135-S142 WeakPolarHBondContact CB-O 3.31Å; H135-G143 PolarHBondContact CD2-O 3.02Å; H135-C145 HydrophobicContact CB-CB 4Å; H135-H172 VanDerWaalsContact CE1-CB 3.49Å; H135-H172 WeakPolarHBondContact CE1-CB 3.26Å; H135-H172 WeakPolarHBondContact NE2-CB 3.25Å; H135-H172 AromaticContact NE2-CG 3.92Å; H135-H173 PolarHBondContact CE1-O 3.02Å; H135-H173 PolarHBondContact ND1-O 3.24Å; H135-D175 WeakPolarHBondContact CA-OD1 3.47Å; H135-D175 IonicContact CE1-OD1 2.74Å; H135-D175 IonicContact CG-OD1 2.83Å; H135-D175 IonicContact ND1-OD1 3.21Å; H135-D175 PolarHBondContact ND1-OD1 3.29Å; H135-F200 AromaticContact CD2-CE1 3.72Å; H135-F200 AromaticContact CE1-CE1 3.68Å; H135-F200 AromaticContact CG-CE1 3.97Å; H135-F200 AromaticContact ND1-CE1 3.93Å; H135-F200 AromaticContact NE2-CE1 3.48Å; H135-F200 WeakPolarHBondContact NE2-CE1 3.31Å
136	A	98.6	Very high	98.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.089	C	C	.	.			trans	-58.8	131	-176.6	0	0	0	0	0	110.6	C145 N148	A136-C145 HydrophobicContact CB-CB 3.74Å; A136-N148 HydrophobicContact CB-CB 3.96Å; A136-N148 PolarHBondContact O-ND2 2.93Å
137	K	98.4	Very high	98.5	Very high	16 Å²	16	18.5 Å²	18.5	7%	0.07	9%	0.089	C	C	.	.			trans	-100.6	170.4	-177.4	-55.2	-57.9	-174.6	154.4	0	110.5	H62 H135 F139 E140 D175 E179	H62-K137 PolarHBondContact CE1-O 2.74Å; H62-K137 PolarHBondContact ND1-O 3.17Å; H135-K137 WeakPolarHBondContact O-CD 3.47Å; H135-K137 WeakPolarHBondContact O-CE 3.21Å; H135-K137 PolarHBondContact O-N 3.23Å; K137-F139 PolarHBondContact O-N 2.85Å; K137-F139 VanDerWaalsContact O-N 3.13Å; K137-E140 HydrophobicContact CB-CG 3.68Å; K137-E140 HydrophobicContact CG-CG 3.96Å; K137-E140 PolarHBondContact N-O 3.02Å; K137-D175 WeakPolarHBondContact CE-OD2 3.21Å; K137-D175 VanDerWaalsContact NZ-CG 3.3Å; K137-D175 PolarHBondContact NZ-O 3.45Å; K137-D175 IonicContact NZ-OD1 3.92Å; K137-D175 IonicContact NZ-OD2 3.79Å; K137-D175 PolarHBondContact NZ-OD2 3.06Å; K137-E179 WeakPolarHBondContact CD-OE2 3.28Å; K137-E179 WeakPolarHBondContact CE-OE2 3.42Å; K137-E179 IonicContact NZ-OE2 3.38Å; K137-E179 PolarHBondContact NZ-OE2 2.87Å
138	K	98.3	Very high	98.5	Very high	91 Å²	91	18.5 Å²	18.5	40%	0.396	9%	0.089	S	C	.	.	S	Bend	trans	-55.4	-35.1	-179	-178.4	161.9	-173.6	170.2	0	113.3	F61 H62 S63	F61-K138 HydrophobicContact CE2-CB 4.01Å; F61-K138 HydrophobicContact CE2-CG 4.49Å; F61-K138 HydrophobicContact CZ-CB 3.92Å; F61-K138 WeakPolarHBondContact O-CE 3.48Å; F61-K138 WeakPolarHBondContact O-CG 3.36Å; H62-K138 VanDerWaalsContact CA-O 3.3Å; H62-K138 WeakPolarHBondContact CA-O 3.39Å; H62-K138 PolarHBondContact ND1-O 2.63Å; S63-K138 PolarHBondContact N-O 2.83Å
139	F	98.2	Very high	98.5	Very high	118 Å²	118	18.5 Å²	18.5	52%	0.518	9%	0.089	S	C	.	.	S	Bend	trans	-122.1	0.6	-172.6	-51.4	-74.5	0	0	0	113.9	S63 F88 K137	S63-F139 WeakPolarHBondContact OG-CD1 3.46Å; F88-F139 WeakPolarHBondContact CD1-O 3.27Å; K137-F139 PolarHBondContact O-N 2.85Å; K137-F139 VanDerWaalsContact O-N 3.13Å
140	E	98	Very high	98.5	Very high	78 Å²	78	18.2 Å²	18.2	36%	0.364	9%	0.088	S	C	.	.			trans	-154.5	152.7	-172.4	60.8	179.6	-166.7	0	0	112.8	F88 N89 K137	F88-E140 WeakPolarHBondContact O-CA 3.28Å; F88-E140 WeakPolarHBondContact O-CB 3.41Å; N89-E140 HydrophobicContact CB-CB 3.99Å; K137-E140 HydrophobicContact CB-CG 3.68Å; K137-E140 HydrophobicContact CG-CG 3.96Å; K137-E140 PolarHBondContact N-O 3.02Å
141	A	98.6	Very high	98.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.083	C	C	.	.			trans	-75.3	154.4	167.1	0	0	0	0	0	109.8	Y66 F88 N89 V90 C94 C145 Y146	Y66-A141 WeakPolarHBondContact OH-CA 3.27Å; Y66-A141 WeakPolarHBondContact OH-CB 3.4Å; Y66-A141 PolarHBondContact OH-N 3.2Å; Y66-A141 VanDerWaalsContact OH-N 3.07Å; F88-A141 PolarHBondContact O-N 3.16Å; N89-A141 WeakPolarHBondContact CB-O 3.42Å; N89-A141 PolarHBondContact ND2-O 3.02Å; V90-A141 HydrophobicContact CG2-CB 3.84Å; C94-A141 HydrophobicContact CB-CB 3.75Å; A141-C145 CarbonylContact C-O 3.58Å; A141-C145 VanDerWaalsContact CA-O 3.24Å; A141-C145 WeakPolarHBondContact CA-O 3.35Å; A141-C145 WeakPolarHBondContact CB-O 3.46Å; A141-Y146 HydrophobicContact CB-CD1 3.95Å; A141-Y146 HydrophobicContact CB-CE1 4.48Å; A141-Y146 HydrophobicContact CB-CG 4.43Å
142	S	98.3	Very high	98.5	Very high	14 Å²	14	17.6 Å²	17.6	10%	0.098	8%	0.082	C	C	.	.	B	Isolated β-bridge	trans	-163.7	143	176	-177.4	0	0	0	0	109.4	H135 F144 C145	H135-S142 WeakPolarHBondContact CB-O 3.31Å; S142-F144 PolarHBondContact O-N 2.61Å; S142-C145 PolarHBondContact N-O 2.84Å; S142-C145 WeakPolarHBondContact O-CA 3.3Å; S142-C145 VanDerWaalsContact O-CB 3.26Å; S142-C145 WeakPolarHBondContact O-CB 3.46Å; S142-C145 PolarHBondContact O-N 3.34Å
143	G	97.7	Very high	98.5	Very high	4 Å²	4	17.6 Å²	17.6	4%	0.041	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	46	168.4	0	0	0	0	0	113.1	D93 H135 C145 F200	D93-G143 WeakPolarHBondContact OD2-CA 3.48Å; D93-G143 PolarHBondContact OD2-N 2.8Å; H135-G143 PolarHBondContact CD2-O 3.02Å; G143-C145 PolarHBondContact O-N 3.29Å; G143-C145 VanDerWaalsContact O-N 3.12Å; G143-C145 PolarHBondContact O-SG 2.97Å; G143-F200 VanDerWaalsContact CA-CZ 3.42Å
144	F	98.1	Very high	98.6	Very high	26 Å²	26	17.3 Å²	17.3	11%	0.114	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	4.4	-175.5	-40.4	-35.6	0	0	0	115.2	Y18 H22 P23 M24 D93 C94 S142 L266 Y298	Y18-F144 HydrophobicContact CE1-CB 4.08Å; Y18-F144 PolarHBondContact OH-O 3.11Å; H22-F144 AromaticContact CE1-CD1 3.26Å; H22-F144 WeakPolarHBondContact CE1-CD1 3.28Å; H22-F144 AromaticContact CE1-CE1 3.48Å; H22-F144 VanDerWaalsContact CE1-CE1 3.48Å; H22-F144 WeakPolarHBondContact CE1-CE1 3.37Å; H22-F144 AromaticContact CE1-CG 3.61Å; H22-F144 AromaticContact NE2-CD1 3.22Å; H22-F144 WeakPolarHBondContact NE2-CD1 3.38Å; H22-F144 AromaticContact NE2-CE1 3.27Å; H22-F144 VanDerWaalsContact NE2-CE1 3.27Å; H22-F144 WeakPolarHBondContact NE2-CE1 3.46Å; P23-F144 HydrophobicContact CG-CE1 4.21Å; P23-F144 HydrophobicContact CG-CE2 3.78Å; P23-F144 HydrophobicContact CG-CZ 3.44Å; P23-F144 VanDerWaalsContact CG-CZ 3.44Å; M24-F144 HydrophobicContact CB-CD2 4.36Å; M24-F144 HydrophobicContact CB-CG 4.49Å; M24-F144 HydrophobicContact CE-CB 4.28Å; M24-F144 HydrophobicContact CE-CD2 4.29Å; D93-F144 HydrophobicContact CB-CD1 3.98Å; D93-F144 HydrophobicContact CB-CE1 3.79Å; D93-F144 VanDerWaalsContact O-CD1 3.25Å; D93-F144 WeakPolarHBondContact O-CD1 3.27Å; C94-F144 PolarHBondContact SG-N 3.29Å; C94-F144 VanDerWaalsContact SG-N 3.44Å; S142-F144 PolarHBondContact O-N 2.61Å; F144-L266 HydrophobicContact CE2-CD1 3.67Å; F144-L266 HydrophobicContact CZ-CD1 3.87Å; F144-Y298 AromaticContact CD2-CE1 3.57Å; F144-Y298 HydrophobicContact CD2-CE1 3.57Å; F144-Y298 AromaticContact CD2-CZ 3.83Å; F144-Y298 WeakPolarHBondContact CD2-OH 3.08Å; F144-Y298 HydrophobicContact CE2-CD1 4.34Å; F144-Y298 AromaticContact CE2-CE1 3.45Å; F144-Y298 HydrophobicContact CE2-CE1 3.45Å; F144-Y298 VanDerWaalsContact CE2-CE1 3.45Å; F144-Y298 AromaticContact CE2-CZ 3.61Å
145	C	98.6	Very high	98.5	Very high	6 Å²	6	19.7 Å²	19.7	4%	0.041	9%	0.093	C	C	.	.	B	Isolated β-bridge	trans	-106.1	132.6	-176.4	-57.4	0	0	0	0	110.6	L133 H135 A136 A141 S142 G143	L133-C145 VanDerWaalsContact CA-SG 3.52Å; L133-C145 HydrophobicContact CB-CB 3.87Å; H135-C145 HydrophobicContact CB-CB 4Å; A136-C145 HydrophobicContact CB-CB 3.74Å; A141-C145 CarbonylContact C-O 3.58Å; A141-C145 VanDerWaalsContact CA-O 3.24Å; A141-C145 WeakPolarHBondContact CA-O 3.35Å; A141-C145 WeakPolarHBondContact CB-O 3.46Å; S142-C145 PolarHBondContact N-O 2.84Å; S142-C145 WeakPolarHBondContact O-CA 3.3Å; S142-C145 VanDerWaalsContact O-CB 3.26Å; S142-C145 WeakPolarHBondContact O-CB 3.46Å; S142-C145 PolarHBondContact O-N 3.34Å; G143-C145 PolarHBondContact O-N 3.29Å; G143-C145 VanDerWaalsContact O-N 3.12Å; G143-C145 PolarHBondContact O-SG 2.97Å
146	Y	98.7	Very high	98.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-111.5	-42.7	179.7	-57.5	-100.6	0	0	0	112.3	Y18 Y66 L70 V90 C94 P95 F97 L100 A141	Y18-Y146 AromaticContact CE1-CE2 3.66Å; Y18-Y146 HydrophobicContact CE1-CE2 3.66Å; Y18-Y146 AromaticContact CZ-CE2 3.78Å; Y66-Y146 VanDerWaalsContact CE1-O 3.3Å; Y66-Y146 WeakPolarHBondContact CE1-O 3.24Å; Y66-Y146 PolarHBondContact OH-O 2.82Å; L70-Y146 HydrophobicContact CD2-CD1 4.09Å; V90-Y146 HydrophobicContact CG1-CE1 4.35Å; V90-Y146 HydrophobicContact CG2-CD1 4.36Å; V90-Y146 HydrophobicContact CG2-CE1 4.44Å; C94-Y146 WeakPolarHBondContact CA-OH 3.14Å; C94-Y146 HydrophobicContact CB-CD1 4.48Å; C94-Y146 HydrophobicContact CB-CE1 3.79Å; P95-Y146 WeakPolarHBondContact CD-OH 3.22Å; P95-Y146 VanDerWaalsContact N-OH 3.09Å; P95-Y146 PolarHBondContact O-OH 3.06Å; F97-Y146 AromaticContact CE1-CE2 3.96Å; F97-Y146 HydrophobicContact CE1-CE2 3.96Å; F97-Y146 AromaticContact CE1-CZ 3.98Å; L100-Y146 HydrophobicContact CD1-CD1 3.67Å; L100-Y146 HydrophobicContact CD1-CD2 3.87Å; L100-Y146 HydrophobicContact CD1-CE1 3.58Å; L100-Y146 HydrophobicContact CD1-CE2 3.83Å; L100-Y146 HydrophobicContact CD1-CG 3.81Å; L100-Y146 HydrophobicContact CD2-CD1 4.12Å; L100-Y146 HydrophobicContact CD2-CE1 3.95Å; L100-Y146 HydrophobicContact CG-CD1 4.42Å; L100-Y146 HydrophobicContact CG-CE1 4.42Å; A141-Y146 HydrophobicContact CB-CD1 3.95Å; A141-Y146 HydrophobicContact CB-CE1 4.48Å; A141-Y146 HydrophobicContact CB-CG 4.43Å
147	V	98.8	Very high	98.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-121.4	133	175	175.1	0	0	0	0	108.5	M58 H62 I67 L70 C104 Y107 T108 D149 I152	M58-V147 HydrophobicContact CB-CG1 4.49Å; M58-V147 HydrophobicContact CG-CG1 4.13Å; M58-V147 HydrophobicContact SD-CG2 3.93Å; H62-V147 WeakPolarHBondContact NE2-CA 3.3Å; I67-V147 HydrophobicContact CD1-CG2 4.14Å; L70-V147 HydrophobicContact CD1-CG2 4.06Å; C104-V147 HydrophobicContact CB-CB 4.31Å; C104-V147 HydrophobicContact CB-CG2 3.8Å; Y107-V147 HydrophobicContact CE2-CB 4.17Å; Y107-V147 WeakPolarHBondContact CE2-O 3.39Å; Y107-V147 WeakPolarHBondContact OH-CB 3.41Å; Y107-V147 PolarHBondContact OH-N 3.16Å; Y107-V147 PolarHBondContact OH-O 2.88Å; T108-V147 HydrophobicContact CG2-CG1 4.18Å; T108-V147 WeakPolarHBondContact OG1-CG1 3.43Å; V147-D149 PolarHBondContact O-N 2.87Å; V147-I152 HydrophobicContact CG1-CD1 3.67Å
148	N	98.8	Very high	98.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.094	C	C	.	.			trans	-87.4	83.6	179.3	-159.6	-46.1	0	0	0	109.5	F61 H62 H134 A136 I150 V151 I152	F61-N148 HydrophobicContact CD1-CB 3.94Å; F61-N148 HydrophobicContact CE1-CB 3.77Å; H62-N148 PolarHBondContact NE2-N 3.38Å; H134-N148 PolarHBondContact O-ND2 3.18Å; A136-N148 HydrophobicContact CB-CB 3.96Å; A136-N148 PolarHBondContact O-ND2 2.93Å; N148-I150 PolarHBondContact O-N 2.9Å; N148-I150 WeakPolarHBondContact OD1-CB 3.3Å; N148-I150 PolarHBondContact OD1-N 3.16Å; N148-V151 HydrophobicContact CB-CB 4.25Å; N148-V151 HydrophobicContact CB-CG2 4.21Å; N148-V151 VanDerWaalsContact CG-CG2 3.47Å; N148-V151 PolarHBondContact O-N 3.41Å; N148-V151 VanDerWaalsContact OD1-CG2 3.28Å; N148-V151 WeakPolarHBondContact OD1-CG2 3.28Å; N148-V151 PolarHBondContact OD1-N 3.4Å; N148-I152 PolarHBondContact O-N 3.16Å
149	D	98.8	Very high	98.3	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-62.9	-29.2	179.7	68.3	-64.4	0	0	0	112.6	Y107 T108 S111 G131 G132 L133 V147 G153	Y107-D149 HydrophobicContact CD2-CB 3.75Å; Y107-D149 HydrophobicContact CE2-CB 3.95Å; T108-D149 HydrophobicContact CG2-CB 4.45Å; S111-D149 WeakPolarHBondContact CB-OD2 3.43Å; S111-D149 PolarHBondContact OG-OD2 3.22Å; G131-D149 WeakPolarHBondContact CA-OD2 3.47Å; G132-D149 PolarHBondContact N-OD1 3.01Å; G132-D149 VanDerWaalsContact N-OD1 3.15Å; G132-D149 PolarHBondContact N-OD2 2.97Å; L133-D149 PolarHBondContact N-OD1 3.31Å; V147-D149 PolarHBondContact O-N 2.87Å; D149-G153 PolarHBondContact O-N 3.1Å
150	I	98.9	Very high	98.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62.7	-51.5	175.9	-60.4	153.2	0	0	0	110.1	G132 H134 N148 I152 G153 I154 Y166 V177 V253 Q255 L293	G132-I150 VanDerWaalsContact C-CD1 3.49Å; H134-I150 HydrophobicContact CB-CD1 3.5Å; N148-I150 PolarHBondContact O-N 2.9Å; N148-I150 WeakPolarHBondContact OD1-CB 3.3Å; N148-I150 PolarHBondContact OD1-N 3.16Å; I150-I152 VanDerWaalsContact C-N 3.33Å; I150-I152 PolarHBondContact O-N 3.39Å; I150-G153 PolarHBondContact O-N 2.97Å; I150-I154 HydrophobicContact CG2-CD1 3.72Å; I150-I154 HydrophobicContact CG2-CG1 4.36Å; I150-I154 WeakPolarHBondContact O-CB 3.21Å; I150-I154 VanDerWaalsContact O-CG1 3.3Å; I150-I154 WeakPolarHBondContact O-CG1 3.19Å; I150-I154 PolarHBondContact O-N 2.84Å; I150-Y166 HydrophobicContact CD1-CE2 4.21Å; I150-Y166 HydrophobicContact CG1-CE2 4.47Å; I150-Y166 HydrophobicContact CG2-CD2 3.75Å; I150-Y166 HydrophobicContact CG2-CE2 3.49Å; I150-Y166 VanDerWaalsContact CG2-CE2 3.49Å; I150-V177 HydrophobicContact CB-CG2 3.92Å; I150-V177 HydrophobicContact CD1-CG2 3.79Å; I150-V177 HydrophobicContact CG1-CG2 4.5Å; I150-V177 HydrophobicContact CG2-CG1 3.94Å; I150-V177 HydrophobicContact CG2-CG2 3.73Å; I150-V253 HydrophobicContact CG2-CG1 4.23Å; I150-Q255 HydrophobicContact CD1-CG 4.21Å; I150-L293 HydrophobicContact CB-CD1 4.3Å; I150-L293 HydrophobicContact CG1-CD1 3.47Å; I150-L293 VanDerWaalsContact CG1-CD1 3.47Å
151	V	98.9	Very high	98.2	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.006	6%	0.062	C	C	.	.	H	α-helix	trans	-61.8	-44.3	-179.5	173.5	0	0	0	0	110.5	F61 N148 G153 I154 L155 V177 A180 F181	F61-V151 HydrophobicContact CB-CG1 3.88Å; F61-V151 HydrophobicContact CD1-CB 4.09Å; F61-V151 HydrophobicContact CD1-CG1 3.94Å; F61-V151 HydrophobicContact CD2-CB 4.47Å; F61-V151 HydrophobicContact CD2-CG1 3.49Å; F61-V151 VanDerWaalsContact CD2-CG1 3.49Å; F61-V151 HydrophobicContact CE1-CB 4.39Å; F61-V151 HydrophobicContact CE1-CG1 4.35Å; F61-V151 HydrophobicContact CE1-CG2 4.4Å; F61-V151 HydrophobicContact CE2-CG1 3.94Å; F61-V151 HydrophobicContact CG-CB 4.14Å; F61-V151 HydrophobicContact CG-CG1 3.48Å; F61-V151 VanDerWaalsContact CG-CG1 3.48Å; F61-V151 HydrophobicContact CZ-CG1 4.35Å; F61-V151 HydrophobicContact CZ-CG2 4.47Å; N148-V151 HydrophobicContact CB-CB 4.25Å; N148-V151 HydrophobicContact CB-CG2 4.21Å; N148-V151 VanDerWaalsContact CG-CG2 3.47Å; N148-V151 PolarHBondContact O-N 3.41Å; N148-V151 VanDerWaalsContact OD1-CG2 3.28Å; N148-V151 WeakPolarHBondContact OD1-CG2 3.28Å; N148-V151 PolarHBondContact OD1-N 3.4Å; V151-G153 PolarHBondContact O-N 2.96Å; V151-I154 PolarHBondContact O-N 2.85Å; V151-L155 HydrophobicContact CG1-CD1 4.15Å; V151-L155 HydrophobicContact CG1-CG 4.41Å; V151-L155 WeakPolarHBondContact O-CB 3.37Å; V151-L155 VanDerWaalsContact O-CG 3.26Å; V151-L155 WeakPolarHBondContact O-CG 3.45Å; V151-L155 PolarHBondContact O-N 2.81Å; V151-V177 HydrophobicContact CG2-CB 4.45Å; V151-V177 HydrophobicContact CG2-CG1 4.38Å; V151-V177 HydrophobicContact CG2-CG2 4.34Å; V151-A180 HydrophobicContact CB-CB 4.32Å; V151-A180 HydrophobicContact CG1-CB 3.79Å; V151-A180 HydrophobicContact CG2-CB 3.47Å; V151-A180 VanDerWaalsContact CG2-CB 3.47Å; V151-F181 HydrophobicContact CB-CE2 4.25Å; V151-F181 HydrophobicContact CB-CZ 4.42Å; V151-F181 HydrophobicContact CG1-CE2 4.08Å; V151-F181 HydrophobicContact CG1-CZ 3.86Å; V151-F181 HydrophobicContact CG2-CE2 3.92Å
152	I	98.8	Very high	98	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.9	-43.8	177.2	-66.2	162.9	0	0	0	111	F61 T108 L112 V147 N148 I150 L155 E156	F61-I152 HydrophobicContact CB-CG1 4.02Å; T108-I152 HydrophobicContact CG2-CD1 3.71Å; T108-I152 HydrophobicContact CG2-CG2 4.35Å; L112-I152 HydrophobicContact CD1-CG2 4.3Å; L112-I152 HydrophobicContact CD2-CG2 3.81Å; L112-I152 HydrophobicContact CG-CG2 4.49Å; V147-I152 HydrophobicContact CG1-CD1 3.67Å; N148-I152 PolarHBondContact O-N 3.16Å; I150-I152 VanDerWaalsContact C-N 3.33Å; I150-I152 PolarHBondContact O-N 3.39Å; I152-L155 PolarHBondContact O-N 2.7Å; I152-E156 PolarHBondContact O-N 3.31Å; I152-E156 VanDerWaalsContact O-N 3.13Å
153	G	98.8	Very high	98	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62.5	-43.6	175.5	0	0	0	0	0	112.7	A115 D149 I150 V151 E156 L157	A115-G153 WeakPolarHBondContact CB-O 3.49Å; D149-G153 PolarHBondContact O-N 3.1Å; I150-G153 PolarHBondContact O-N 2.97Å; V151-G153 PolarHBondContact O-N 2.96Å; G153-E156 WeakPolarHBondContact O-CB 3.47Å; G153-E156 PolarHBondContact O-N 3.08Å; G153-E156 VanDerWaalsContact O-N 3.14Å; G153-L157 WeakPolarHBondContact O-CG 3.4Å; G153-L157 PolarHBondContact O-N 2.89Å
154	I	98.8	Very high	98	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-64	-42.2	176.1	-69.3	171.5	0	0	0	111	I150 V151 E156 L157 L158 V164 Y166 V177 F181 V187 V253	I150-I154 HydrophobicContact CG2-CD1 3.72Å; I150-I154 HydrophobicContact CG2-CG1 4.36Å; I150-I154 WeakPolarHBondContact O-CB 3.21Å; I150-I154 VanDerWaalsContact O-CG1 3.3Å; I150-I154 WeakPolarHBondContact O-CG1 3.19Å; I150-I154 PolarHBondContact O-N 2.84Å; V151-I154 PolarHBondContact O-N 2.85Å; I154-E156 PolarHBondContact O-N 3.09Å; I154-L157 PolarHBondContact O-N 3.38Å; I154-L157 VanDerWaalsContact O-N 3.13Å; I154-L158 HydrophobicContact CG2-CD1 3.93Å; I154-L158 HydrophobicContact CG2-CG 4.12Å; I154-L158 WeakPolarHBondContact O-CB 3.31Å; I154-L158 VanDerWaalsContact O-CG 3.24Å; I154-L158 WeakPolarHBondContact O-CG 3.23Å; I154-L158 PolarHBondContact O-N 2.94Å; I154-V164 HydrophobicContact CG1-CG1 4.09Å; I154-V164 HydrophobicContact CG2-CB 4.25Å; I154-V164 HydrophobicContact CG2-CG1 4.13Å; I154-Y166 HydrophobicContact CD1-CD2 4.29Å; I154-Y166 HydrophobicContact CD1-CG 4.42Å; I154-V177 HydrophobicContact CD1-CG1 4.16Å; I154-F181 HydrophobicContact CB-CE2 3.94Å; I154-F181 HydrophobicContact CB-CZ 3.7Å; I154-F181 HydrophobicContact CD1-CD2 4.47Å; I154-F181 HydrophobicContact CD1-CE2 3.78Å; I154-F181 HydrophobicContact CD1-CZ 4.44Å; I154-F181 HydrophobicContact CG1-CE2 4.46Å; I154-F181 HydrophobicContact CG2-CE1 3.95Å; I154-F181 HydrophobicContact CG2-CE2 3.75Å; I154-F181 HydrophobicContact CG2-CZ 3.36Å; I154-V187 HydrophobicContact CD1-CG1 4.35Å; I154-V187 HydrophobicContact CG2-CG1 4.23Å; I154-V187 HydrophobicContact CG2-CG2 3.54Å; I154-V253 HydrophobicContact CD1-CG2 4.36Å; I154-V253 HydrophobicContact CG1-CB 4.45Å; I154-V253 HydrophobicContact CG1-CG2 3.75Å
155	L	98.5	Very high	98.1	Very high	55 Å²	55	14.4 Å²	14.4	29%	0.288	7%	0.068	S	C	.	.	H	α-helix	trans	-59.6	-31.3	174.8	-71.5	173	0	0	0	112.3	R60 F61 V151 I152 F181	R60-L155 HydrophobicContact CB-CD1 4.48Å; F61-L155 HydrophobicContact CB-CD1 4.25Å; V151-L155 HydrophobicContact CG1-CD1 4.15Å; V151-L155 HydrophobicContact CG1-CG 4.41Å; V151-L155 WeakPolarHBondContact O-CB 3.37Å; V151-L155 VanDerWaalsContact O-CG 3.26Å; V151-L155 WeakPolarHBondContact O-CG 3.45Å; V151-L155 PolarHBondContact O-N 2.81Å; I152-L155 PolarHBondContact O-N 2.7Å; L155-F181 HydrophobicContact CD2-CE1 4.17Å; L155-F181 HydrophobicContact CG-CZ 4.44Å
156	E	98.1	Very high	98.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-71.5	-48.6	171.1	-171	61.2	-154.8	0	0	112	R60 L112 A115 N119 I152 G153 I154 L158 K159	R60-E156 IonicContact CZ-OE2 2.9Å; R60-E156 IonicContact NH1-OE2 2.8Å; R60-E156 PolarHBondContact NH1-OE2 3Å; R60-E156 IonicContact NH2-OE2 3.98Å; R60-E156 PolarHBondContact NH2-OE2 3.08Å; L112-E156 HydrophobicContact CD1-CB 3.47Å; L112-E156 VanDerWaalsContact CD1-CB 3.47Å; L112-E156 HydrophobicContact CD1-CG 3.63Å; A115-E156 HydrophobicContact CB-CB 3.92Å; A115-E156 HydrophobicContact CB-CG 4.07Å; N119-E156 PolarHBondContact ND2-O 2.76Å; I152-E156 PolarHBondContact O-N 3.31Å; I152-E156 VanDerWaalsContact O-N 3.13Å; G153-E156 WeakPolarHBondContact O-CB 3.47Å; G153-E156 PolarHBondContact O-N 3.08Å; G153-E156 VanDerWaalsContact O-N 3.14Å; I154-E156 PolarHBondContact O-N 3.09Å; E156-L158 PolarHBondContact O-N 3.22Å; E156-K159 WeakPolarHBondContact O-CB 3.23Å; E156-K159 WeakPolarHBondContact O-CG 3.43Å; E156-K159 PolarHBondContact O-N 2.97Å; E156-K159 VanDerWaalsContact O-N 3.08Å; E156-K159 WeakPolarHBondContact OE1-CD 3.43Å; E156-K159 WeakPolarHBondContact OE1-CE 3.27Å; E156-K159 IonicContact OE1-NZ 3.26Å; E156-K159 PolarHBondContact OE1-NZ 3.43Å; E156-K159 WeakPolarHBondContact OE2-CE 3.43Å; E156-K159 IonicContact OE2-NZ 3.55Å; E156-K159 PolarHBondContact OE2-NZ 3.45Å
157	L	98.5	Very high	98.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-56.5	-39	177.5	-68.3	170.3	0	0	0	112	A115 L118 N119 G153 I154 K159 Y160 H161 V164 V253	A115-L157 HydrophobicContact CB-CD2 4.02Å; A115-L157 HydrophobicContact CB-CG 3.91Å; L118-L157 HydrophobicContact CB-CD2 4.05Å; L118-L157 HydrophobicContact CD1-CD2 4.18Å; N119-L157 WeakPolarHBondContact OD1-CA 3.43Å; N119-L157 PolarHBondContact OD1-O 2.95Å; G153-L157 WeakPolarHBondContact O-CG 3.4Å; G153-L157 PolarHBondContact O-N 2.89Å; I154-L157 PolarHBondContact O-N 3.38Å; I154-L157 VanDerWaalsContact O-N 3.13Å; L157-K159 PolarHBondContact O-N 3.49Å; L157-Y160 PolarHBondContact O-N 3.27Å; L157-H161 WeakPolarHBondContact O-CB 3.35Å; L157-H161 PolarHBondContact O-CD2 2.59Å; L157-H161 VanDerWaalsContact O-CD2 3.31Å; L157-H161 PolarHBondContact O-N 3.19Å; L157-V164 HydrophobicContact CB-CG2 3.85Å; L157-V164 HydrophobicContact CD1-CG1 4.19Å; L157-V253 HydrophobicContact CD1-CG2 3.47Å; L157-V253 VanDerWaalsContact CD1-CG2 3.47Å
158	L	97.1	Very high	98.1	Very high	18 Å²	18	14.1 Å²	14.1	9%	0.094	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-10.2	179.6	-73.3	172.7	0	0	0	114.6	I154 E156 Y160 V164 F181 R186 V187	I154-L158 HydrophobicContact CG2-CD1 3.93Å; I154-L158 HydrophobicContact CG2-CG 4.12Å; I154-L158 WeakPolarHBondContact O-CB 3.31Å; I154-L158 VanDerWaalsContact O-CG 3.24Å; I154-L158 WeakPolarHBondContact O-CG 3.23Å; I154-L158 PolarHBondContact O-N 2.94Å; E156-L158 PolarHBondContact O-N 3.22Å; L158-Y160 VanDerWaalsContact C-N 3.29Å; L158-V164 HydrophobicContact CD2-CB 4.45Å; L158-V164 HydrophobicContact CD2-CG2 3.83Å; L158-V164 HydrophobicContact CG-CG2 4.14Å; L158-F181 HydrophobicContact CD1-CE1 4.21Å; L158-R186 HydrophobicContact CD2-CB 3.89Å; L158-R186 WeakPolarHBondContact CD2-O 3.42Å; L158-R186 PolarHBondContact O-NH2 3.33Å; L158-V187 HydrophobicContact CD1-CG2 3.74Å; L158-V187 HydrophobicContact CD2-CG2 4.13Å; L158-V187 HydrophobicContact CG-CG2 4.32Å
159	K	95.8	Very high	98.1	Very high	24 Å²	24	14.1 Å²	14.1	10%	0.104	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-33	170.3	-67.7	-178.3	-174.4	171.4	0	112.2	E156 L157 V380 A382	E156-K159 WeakPolarHBondContact O-CB 3.23Å; E156-K159 WeakPolarHBondContact O-CG 3.43Å; E156-K159 PolarHBondContact O-N 2.97Å; E156-K159 VanDerWaalsContact O-N 3.08Å; E156-K159 WeakPolarHBondContact OE1-CD 3.43Å; E156-K159 WeakPolarHBondContact OE1-CE 3.27Å; E156-K159 IonicContact OE1-NZ 3.26Å; E156-K159 PolarHBondContact OE1-NZ 3.43Å; E156-K159 WeakPolarHBondContact OE2-CE 3.43Å; E156-K159 IonicContact OE2-NZ 3.55Å; E156-K159 PolarHBondContact OE2-NZ 3.45Å; L157-K159 PolarHBondContact O-N 3.49Å; K159-V380 HydrophobicContact CB-CG1 3.85Å; K159-V380 HydrophobicContact CG-CG1 4.47Å; K159-V380 WeakPolarHBondContact O-CG1 3.47Å; K159-A382 PolarHBondContact NZ-O 2.71Å
160	Y	95.8	Very high	98.1	Very high	105 Å²	105	14.1 Å²	14.1	41%	0.412	7%	0.066	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-27.4	-174.7	-63.1	-94.3	0	0	0	113.2	N119 L157 L158 D383	N119-Y160 HydrophobicContact CB-CD2 3.46Å; N119-Y160 VanDerWaalsContact CB-CD2 3.46Å; N119-Y160 HydrophobicContact CB-CE2 3.85Å; N119-Y160 HydrophobicContact CB-CG 4Å; N119-Y160 VanDerWaalsContact ND2-CD2 3.34Å; N119-Y160 WeakPolarHBondContact ND2-CD2 3.34Å; L157-Y160 PolarHBondContact O-N 3.27Å; L158-Y160 VanDerWaalsContact C-N 3.29Å; Y160-D383 WeakPolarHBondContact CE2-OD1 3.47Å; Y160-D383 VanDerWaalsContact CZ-OD1 3.28Å; Y160-D383 PolarHBondContact OH-OD1 3.16Å; Y160-D383 PolarHBondContact OH-OD2 3.17Å; Y160-D383 VanDerWaalsContact OH-OD2 3.1Å
161	H	96.7	Very high	98.1	Very high	21 Å²	21	14.1 Å²	14.1	10%	0.097	7%	0.066	C	C	.	.			trans	-97.6	117.9	-178.6	-64.4	-85	0	0	0	110.2	N119 L157 R163 V164 R186 T250 C251	N119-H161 PolarHBondContact OD1-CD2 3.17Å; N119-H161 PolarHBondContact OD1-NE2 2.78Å; L157-H161 WeakPolarHBondContact O-CB 3.35Å; L157-H161 PolarHBondContact O-CD2 2.59Å; L157-H161 VanDerWaalsContact O-CD2 3.31Å; L157-H161 PolarHBondContact O-N 3.19Å; H161-R163 PolarHBondContact O-N 3.48Å; H161-V164 HydrophobicContact CB-CG2 4.01Å; H161-R186 PolarHBondContact O-NH2 3.18Å; H161-T250 WeakPolarHBondContact CA-OG1 3.23Å; H161-T250 VanDerWaalsContact CB-OG1 3.27Å; H161-T250 WeakPolarHBondContact CB-OG1 3.47Å; H161-T250 PolarHBondContact CE1-O 3.12Å; H161-T250 VanDerWaalsContact CE1-O 3.25Å; H161-T250 VanDerWaalsContact ND1-C 3.33Å; H161-T250 PolarHBondContact ND1-O 3.18Å; H161-T250 PolarHBondContact ND1-OG1 3.13Å; H161-C251 HydrophobicContact CB-CB 4.18Å
162	P	95.9	Very high	98.1	Very high	39 Å²	39	14.6 Å²	14.6	25%	0.253	7%	0.068	S	C	.	.	S	Bend	trans	-63.2	-30	177	22.7	-34.9	0	0	0	112.9	R186 T250 V375	P162-R186 PolarHBondContact O-NE 3.43Å; P162-T250 WeakPolarHBondContact CD-OG1 3.1Å; P162-T250 HydrophobicContact CG-CG2 3.97Å; P162-V375 HydrophobicContact CB-CG2 3.7Å
163	R	97.7	Very high	98.1	Very high	32 Å²	32	14.7 Å²	14.7	12%	0.121	7%	0.068	C	C	.	.			trans	-140.9	119.5	-174	-67.2	-176.5	-58.3	-80.8	-2.9	110.7	H161 R186 Y247 Q248 T250 P373	H161-R163 PolarHBondContact O-N 3.48Å; R163-R186 WeakPolarHBondContact CA-O 3.45Å; R163-Y247 HydrophobicContact CB-CE1 3.81Å; R163-Y247 HydrophobicContact CB-CE2 4.32Å; R163-Y247 WeakPolarHBondContact CD-O 3.09Å; R163-Y247 HydrophobicContact CG-CE2 4.14Å; R163-Y247 PolarHBondContact NE-O 3.1Å; R163-Q248 PolarHBondContact NE-O 3.17Å; R163-Q248 PolarHBondContact NH2-O 3.38Å; R163-T250 PolarHBondContact O-N 3.36Å; R163-T250 PolarHBondContact O-OG1 2.61Å; R163-P373 WeakPolarHBondContact CD-O 3.44Å; R163-P373 HydrophobicContact CG-CG 4.1Å; R163-P373 PolarHBondContact NH1-O 2.95Å
164	V	98.8	Very high	98.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	124.8	176.7	-179.9	0	0	0	0	108.7	I154 L157 L158 H161 R186 V187 M188 C251 V253	I154-V164 HydrophobicContact CG1-CG1 4.09Å; I154-V164 HydrophobicContact CG2-CB 4.25Å; I154-V164 HydrophobicContact CG2-CG1 4.13Å; L157-V164 HydrophobicContact CB-CG2 3.85Å; L157-V164 HydrophobicContact CD1-CG1 4.19Å; L158-V164 HydrophobicContact CD2-CB 4.45Å; L158-V164 HydrophobicContact CD2-CG2 3.83Å; L158-V164 HydrophobicContact CG-CG2 4.14Å; H161-V164 HydrophobicContact CB-CG2 4.01Å; V164-R186 PolarHBondContact N-O 3.13Å; V164-V187 VanDerWaalsContact O-CA 3.28Å; V164-V187 WeakPolarHBondContact O-CA 3.3Å; V164-M188 PolarHBondContact O-N 3.14Å; V164-C251 WeakPolarHBondContact CA-O 3.45Å; V164-C251 HydrophobicContact CG2-CB 4.42Å; V164-V253 HydrophobicContact CG1-CG2 3.91Å
165	L	98.9	Very high	98.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	119.4	173.7	169.6	62.6	0	0	0	109	I167 M188 V190 V243 V244 Y247 P249 C251 I252 V253	L165-I167 HydrophobicContact CD1-CG1 4.25Å; L165-I167 HydrophobicContact CD2-CD1 3.9Å; L165-I167 HydrophobicContact CD2-CG1 4.04Å; L165-I167 HydrophobicContact CG-CD1 4.23Å; L165-I167 HydrophobicContact CG-CG1 3.83Å; L165-M188 HydrophobicContact CD1-CB 4.14Å; L165-M188 HydrophobicContact CD1-CG 4.13Å; L165-V190 HydrophobicContact CD1-CG2 3.74Å; L165-V243 HydrophobicContact CD1-CG1 3.53Å; L165-V243 HydrophobicContact CD2-CG1 3.72Å; L165-V243 HydrophobicContact CG-CG1 4.29Å; L165-V244 HydrophobicContact CD2-CG2 4.04Å; L165-Y247 HydrophobicContact CB-CD1 4.25Å; L165-Y247 HydrophobicContact CB-CE1 4.35Å; L165-P249 HydrophobicContact CB-CB 3.54Å; L165-P249 HydrophobicContact CB-CG 3.72Å; L165-P249 HydrophobicContact CD2-CG 3.91Å; L165-P249 HydrophobicContact CG-CG 4.47Å; L165-C251 PolarHBondContact N-O 3.25Å; L165-I252 HydrophobicContact CB-CG1 4.26Å; L165-I252 HydrophobicContact CD2-CD1 4.37Å; L165-I252 HydrophobicContact CD2-CG1 4.32Å; L165-I252 CarbonylContact O-C 3.49Å; L165-I252 VanDerWaalsContact O-CA 3.27Å; L165-I252 WeakPolarHBondContact O-CA 3.33Å; L165-V253 PolarHBondContact O-N 3.13Å
166	Y	98.9	Very high	98.1	Very high	1 Å²	1	12.7 Å²	12.7	0%	0.004	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	121.7	170.7	174.6	-112	0	0	0	109.5	I150 I154 D168 V177 M188 T189 V190 V253 Q255	I150-Y166 HydrophobicContact CD1-CE2 4.21Å; I150-Y166 HydrophobicContact CG1-CE2 4.47Å; I150-Y166 HydrophobicContact CG2-CD2 3.75Å; I150-Y166 HydrophobicContact CG2-CE2 3.49Å; I150-Y166 VanDerWaalsContact CG2-CE2 3.49Å; I154-Y166 HydrophobicContact CD1-CD2 4.29Å; I154-Y166 HydrophobicContact CD1-CG 4.42Å; Y166-D168 HydrophobicContact CE1-CB 3.65Å; Y166-D168 VanDerWaalsContact OH-CG 3.27Å; Y166-D168 PolarHBondContact OH-OD2 3.26Å; Y166-V177 HydrophobicContact CD1-CB 4.16Å; Y166-V177 HydrophobicContact CD1-CG1 3.63Å; Y166-V177 HydrophobicContact CD2-CG1 4.25Å; Y166-V177 HydrophobicContact CE1-CB 3.79Å; Y166-V177 HydrophobicContact CE1-CG1 3.76Å; Y166-V177 HydrophobicContact CE1-CG2 4.07Å; Y166-V177 HydrophobicContact CE2-CG1 4.35Å; Y166-V177 HydrophobicContact CE2-CG2 4.41Å; Y166-V177 HydrophobicContact CG-CG1 3.89Å; Y166-M188 PolarHBondContact N-O 3.26Å; Y166-T189 HydrophobicContact CD1-CG2 3.96Å; Y166-T189 CarbonylContact O-C 3.51Å; Y166-V190 PolarHBondContact O-N 3.3Å; Y166-V253 CarbonylContact C-O 3.55Å; Y166-V253 WeakPolarHBondContact CA-O 3.46Å; Y166-V253 HydrophobicContact CD2-CB 4.14Å; Y166-V253 HydrophobicContact CD2-CG1 4.06Å; Y166-V253 HydrophobicContact CE2-CG1 4.45Å; Y166-Q255 HydrophobicContact CE2-CB 3.84Å
167	I	99	Very high	98.1	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130.2	175.3	-54.4	174.4	0	0	0	107.9	L165 I169 V190 F236 I240 I252 V253 L254 Q255 V283	L165-I167 HydrophobicContact CD1-CG1 4.25Å; L165-I167 HydrophobicContact CD2-CD1 3.9Å; L165-I167 HydrophobicContact CD2-CG1 4.04Å; L165-I167 HydrophobicContact CG-CD1 4.23Å; L165-I167 HydrophobicContact CG-CG1 3.83Å; I167-I169 HydrophobicContact CG2-CG2 4.33Å; I167-V190 CarbonylContact C-O 3.58Å; I167-V190 WeakPolarHBondContact CA-O 3.48Å; I167-F236 HydrophobicContact CG2-CE2 4.02Å; I167-F236 HydrophobicContact CG2-CZ 4.21Å; I167-I240 HydrophobicContact CD1-CD1 3.85Å; I167-I240 HydrophobicContact CD1-CG1 4.47Å; I167-I240 HydrophobicContact CD1-CG2 4.12Å; I167-I240 HydrophobicContact CG1-CD1 4.08Å; I167-I240 HydrophobicContact CG2-CD1 4.04Å; I167-I252 HydrophobicContact CD1-CG2 3.91Å; I167-I252 HydrophobicContact CG1-CG2 4.26Å; I167-V253 PolarHBondContact N-O 3.34Å; I167-L254 HydrophobicContact CB-CD1 3.74Å; I167-L254 HydrophobicContact CG2-CD1 3.68Å; I167-L254 WeakPolarHBondContact O-CA 3.4Å; I167-Q255 PolarHBondContact O-N 2.89Å; I167-V283 HydrophobicContact CD1-CG1 4.17Å; I167-V283 HydrophobicContact CD1-CG2 3.66Å
168	D	98.9	Very high	98.2	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	116.4	-177.3	-165.7	-31.5	0	0	0	109.9	H134 Y166 D170 G174 V190 F192 Q255	H134-D168 IonicContact CE1-OD2 4Å; H134-D168 IonicContact CG-OD2 2.8Å; H134-D168 IonicContact ND1-OD1 3.51Å; H134-D168 IonicContact ND1-OD2 3.67Å; H134-D168 PolarHBondContact ND1-OD2 3.32Å; Y166-D168 HydrophobicContact CE1-CB 3.65Å; Y166-D168 VanDerWaalsContact OH-CG 3.27Å; Y166-D168 PolarHBondContact OH-OD2 3.26Å; D168-D170 WeakPolarHBondContact OD1-CB 3.38Å; D168-D170 PolarHBondContact OD1-N 2.82Å; D168-G174 WeakPolarHBondContact OD2-CA 3.35Å; D168-V190 PolarHBondContact N-O 3.08Å; D168-F192 PolarHBondContact O-N 3.34Å; D168-Q255 PolarHBondContact OD1-OE1 3.38Å; D168-Q255 VanDerWaalsContact OD1-OE1 3.06Å
169	I	98.8	Very high	98.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.079	C	C	.	.			trans	-109.8	10.9	178.2	63.3	173.3	0	0	0	112.9	I167 Y232 F236 Q255 S260 H276 C279	I167-I169 HydrophobicContact CG2-CG2 4.33Å; I169-Y232 WeakPolarHBondContact CB-OH 3.48Å; I169-Y232 WeakPolarHBondContact CG2-OH 3.26Å; I169-F236 HydrophobicContact CG2-CD2 4.33Å; I169-F236 HydrophobicContact CG2-CE2 3.56Å; I169-F236 HydrophobicContact CG2-CZ 4.25Å; I169-Q255 VanDerWaalsContact CG1-O 3.26Å; I169-Q255 WeakPolarHBondContact CG1-O 3.38Å; I169-Q255 PolarHBondContact N-O 3.21Å; I169-S260 WeakPolarHBondContact O-CB 3.4Å; I169-S260 PolarHBondContact O-OG 2.97Å; I169-H276 WeakPolarHBondContact CD1-CE1 3.43Å; I169-C279 HydrophobicContact CD1-CB 3.95Å; I169-C279 HydrophobicContact CG2-CB 4.44Å
170	D	98.8	Very high	98.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	-60.1	150.1	165	-158.1	-77.9	0	0	0	110.6	H134 D168 H172 Q255 G257 D259 G296	H134-D170 VanDerWaalsContact CE1-CB 3.48Å; H134-D170 WeakPolarHBondContact CE1-CB 3.39Å; H134-D170 IonicContact CE1-OD1 2.77Å; H134-D170 IonicContact CE1-OD2 2.76Å; H134-D170 IonicContact NE2-OD1 2.74Å; H134-D170 IonicContact NE2-OD2 3.71Å; D168-D170 WeakPolarHBondContact OD1-CB 3.38Å; D168-D170 PolarHBondContact OD1-N 2.82Å; D170-H172 PolarHBondContact O-N 3.47Å; D170-H172 WeakPolarHBondContact OD1-CB 3.37Å; D170-H172 IonicContact OD1-CG 3.74Å; D170-H172 PolarHBondContact OD1-N 3.26Å; D170-H172 IonicContact OD1-ND1 3.74Å; D170-H172 PolarHBondContact OD1-ND1 3.24Å; D170-Q255 PolarHBondContact OD2-NE2 2.84Å; D170-G257 WeakPolarHBondContact OD2-CA 3.08Å; D170-D259 VanDerWaalsContact CG-OD1 3.25Å; D170-D259 VanDerWaalsContact OD1-OD1 3.11Å; D170-G296 VanDerWaalsContact OD2-CA 3.31Å; D170-G296 WeakPolarHBondContact OD2-CA 3.43Å; D170-G296 PolarHBondContact OD2-N 3.3Å
171	I	98.6	Very high	98.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.07	C	C	.	.	S	Bend	trans	-68.8	-22.5	175.6	-164.6	173	0	0	0	112.3	H193 K194 F199 D259 F269	I171-H193 CarbonylContact O-C 3.49Å; I171-H193 VanDerWaalsContact O-CA 3.27Å; I171-H193 WeakPolarHBondContact O-CA 3.48Å; I171-H193 WeakPolarHBondContact O-CB 3.25Å; I171-K194 HydrophobicContact CD1-CB 4.3Å; I171-K194 HydrophobicContact CG1-CB 3.84Å; I171-K194 PolarHBondContact O-N 3.17Å; I171-F199 HydrophobicContact CD1-CZ 4.23Å; I171-F199 HydrophobicContact CG1-CE1 4.32Å; I171-F199 HydrophobicContact CG1-CZ 4.25Å; I171-F199 HydrophobicContact CG2-CE1 4.48Å; I171-F199 HydrophobicContact CG2-CZ 4.18Å; I171-D259 HydrophobicContact CG2-CB 4.01Å; I171-D259 VanDerWaalsContact CG2-CG 3.5Å; I171-D259 WeakPolarHBondContact CG2-OD1 3.3Å; I171-D259 PolarHBondContact N-OD1 2.87Å; I171-F269 HydrophobicContact CB-CD2 4.37Å; I171-F269 HydrophobicContact CB-CE2 4.37Å; I171-F269 HydrophobicContact CD1-CB 4.13Å; I171-F269 HydrophobicContact CD1-CD1 3.6Å; I171-F269 HydrophobicContact CD1-CD2 4.07Å; I171-F269 HydrophobicContact CD1-CE1 3.96Å; I171-F269 HydrophobicContact CD1-CE2 4.38Å; I171-F269 HydrophobicContact CD1-CG 3.65Å; I171-F269 HydrophobicContact CD1-CZ 4.31Å; I171-F269 HydrophobicContact CG1-CD1 3.96Å; I171-F269 HydrophobicContact CG1-CD2 3.82Å; I171-F269 HydrophobicContact CG1-CE1 3.89Å; I171-F269 HydrophobicContact CG1-CE2 3.73Å; I171-F269 HydrophobicContact CG1-CG 3.92Å; I171-F269 HydrophobicContact CG1-CZ 3.74Å
172	H	98.8	Very high	98.6	Very high	11 Å²	11	15.6 Å²	15.6	5%	0.051	8%	0.079	C	C	.	.	S	Bend	trans	-92.8	146.1	178.3	-49.3	88.5	0	0	0	110.5	H134 H135 D170 G174 H193 F199 F200 D259	H134-H172 PolarHBondContact CE1-O 3.02Å; H135-H172 VanDerWaalsContact CE1-CB 3.49Å; H135-H172 WeakPolarHBondContact CE1-CB 3.26Å; H135-H172 WeakPolarHBondContact NE2-CB 3.25Å; H135-H172 AromaticContact NE2-CG 3.92Å; D170-H172 PolarHBondContact O-N 3.47Å; D170-H172 WeakPolarHBondContact OD1-CB 3.37Å; D170-H172 IonicContact OD1-CG 3.74Å; D170-H172 PolarHBondContact OD1-N 3.26Å; D170-H172 IonicContact OD1-ND1 3.74Å; D170-H172 PolarHBondContact OD1-ND1 3.24Å; H172-G174 PolarHBondContact O-N 2.92Å; H172-H193 VanDerWaalsContact C-CB 3.47Å; H172-F199 AromaticContact CD2-CE1 3.52Å; H172-F199 AromaticContact CD2-CZ 3.71Å; H172-F199 AromaticContact NE2-CE1 3.92Å; H172-F199 AromaticContact NE2-CZ 3.58Å; H172-F200 PolarHBondContact CD2-O 3.49Å; H172-D259 IonicContact CE1-OD2 3.9Å; H172-D259 PolarHBondContact CE1-OD2 3.47Å; H172-D259 IonicContact ND1-OD2 3.63Å; H172-D259 PolarHBondContact ND1-OD2 3.39Å; H172-D259 VanDerWaalsContact ND1-OD2 3.1Å
173	H	98.8	Very high	98.7	Very high	2 Å²	2	18 Å²	18	1%	0.009	9%	0.089	C	C	.	.			trans	-62.2	130.3	176.6	172.8	-141.2	0	0	0	110.4	H135 D175 Q178 H193 P201 T203 G204 N220	H135-H173 PolarHBondContact CE1-O 3.02Å; H135-H173 PolarHBondContact ND1-O 3.24Å; H173-D175 WeakPolarHBondContact ND1-CB 3.3Å; H173-D175 PolarHBondContact O-N 3.15Å; H173-Q178 PolarHBondContact CE1-NE2 3.15Å; H173-Q178 PolarHBondContact NE2-OE1 3.45Å; H173-H193 HydrophobicContact CB-CB 4.27Å; H173-H193 AromaticContact CD2-CE1 3.51Å; H173-H193 AromaticContact CD2-ND1 3.72Å; H173-H193 AromaticContact CG-CE1 3.77Å; H173-H193 AromaticContact CG-ND1 3.97Å; H173-P201 HydrophobicContact CB-CG 4Å; H173-T203 VanDerWaalsContact ND1-C 3.33Å; H173-T203 PolarHBondContact ND1-OG1 3.35Å; H173-G204 PolarHBondContact CE1-N 3.45Å; H173-G204 VanDerWaalsContact ND1-CA 3.33Å; H173-G204 WeakPolarHBondContact ND1-CA 3.18Å; H173-G204 PolarHBondContact ND1-N 3.47Å; H173-G204 VanDerWaalsContact ND1-N 3.15Å; H173-N220 PolarHBondContact CD2-OD1 3.4Å; H173-N220 PolarHBondContact NE2-OD1 3.15Å
174	G	98.6	Very high	98.6	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.01	9%	0.094	C	C	.	.			trans	-68.5	55.5	172.9	0	0	0	0	0	113.8	H134 D168 H172 G176 V177 Q178 S191	H134-G174 WeakPolarHBondContact ND1-CA 3.36Å; D168-G174 WeakPolarHBondContact OD2-CA 3.35Å; H172-G174 PolarHBondContact O-N 2.92Å; G174-G176 PolarHBondContact O-N 2.68Å; G174-V177 PolarHBondContact O-N 2.71Å; G174-Q178 PolarHBondContact O-N 2.77Å; G174-S191 PolarHBondContact N-OG 3.23Å
175	D	98.7	Very high	98.5	Very high	12 Å²	12	20.6 Å²	20.6	6%	0.064	11%	0.107	C	C	.	.	H	α-helix	trans	-70.1	-33.5	-165.4	73.2	-43.4	0	0	0	113.4	H135 K137 H173 E179 P201 T203	H135-D175 WeakPolarHBondContact CA-OD1 3.47Å; H135-D175 IonicContact CE1-OD1 2.74Å; H135-D175 IonicContact CG-OD1 2.83Å; H135-D175 IonicContact ND1-OD1 3.21Å; H135-D175 PolarHBondContact ND1-OD1 3.29Å; K137-D175 WeakPolarHBondContact CE-OD2 3.21Å; K137-D175 VanDerWaalsContact NZ-CG 3.3Å; K137-D175 PolarHBondContact NZ-O 3.45Å; K137-D175 IonicContact NZ-OD1 3.92Å; K137-D175 IonicContact NZ-OD2 3.79Å; K137-D175 PolarHBondContact NZ-OD2 3.06Å; H173-D175 WeakPolarHBondContact ND1-CB 3.3Å; H173-D175 PolarHBondContact O-N 3.15Å; D175-E179 WeakPolarHBondContact O-CB 3.4Å; D175-E179 PolarHBondContact O-N 3.42Å; D175-P201 HydrophobicContact CB-CG 3.91Å; D175-T203 WeakPolarHBondContact CB-OG1 3.44Å
176	G	98.8	Very high	98.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-67.6	-38.6	174.9	0	0	0	0	0	112.4	H134 G174 A180	H134-G176 WeakPolarHBondContact O-CA 3.48Å; H134-G176 PolarHBondContact O-N 3.08Å; G174-G176 PolarHBondContact O-N 2.68Å; G176-A180 WeakPolarHBondContact O-CB 3.46Å; G176-A180 PolarHBondContact O-N 2.82Å; G176-A180 VanDerWaalsContact O-N 3.1Å
177	V	98.9	Very high	98.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-71.8	-45.3	176.2	-172.1	0	0	0	0	110.9	H134 I150 V151 I154 Y166 G174 E179 A180 F181 T189	H134-V177 HydrophobicContact CB-CG2 3.94Å; H134-V177 PolarHBondContact O-N 2.83Å; I150-V177 HydrophobicContact CB-CG2 3.92Å; I150-V177 HydrophobicContact CD1-CG2 3.79Å; I150-V177 HydrophobicContact CG1-CG2 4.5Å; I150-V177 HydrophobicContact CG2-CG1 3.94Å; I150-V177 HydrophobicContact CG2-CG2 3.73Å; V151-V177 HydrophobicContact CG2-CB 4.45Å; V151-V177 HydrophobicContact CG2-CG1 4.38Å; V151-V177 HydrophobicContact CG2-CG2 4.34Å; I154-V177 HydrophobicContact CD1-CG1 4.16Å; Y166-V177 HydrophobicContact CD1-CB 4.16Å; Y166-V177 HydrophobicContact CD1-CG1 3.63Å; Y166-V177 HydrophobicContact CD2-CG1 4.25Å; Y166-V177 HydrophobicContact CE1-CB 3.79Å; Y166-V177 HydrophobicContact CE1-CG1 3.76Å; Y166-V177 HydrophobicContact CE1-CG2 4.07Å; Y166-V177 HydrophobicContact CE2-CG1 4.35Å; Y166-V177 HydrophobicContact CE2-CG2 4.41Å; Y166-V177 HydrophobicContact CG-CG1 3.89Å; G174-V177 PolarHBondContact O-N 2.71Å; V177-E179 VanDerWaalsContact C-N 3.32Å; V177-E179 PolarHBondContact O-N 2.8Å; V177-A180 PolarHBondContact O-N 2.82Å; V177-F181 HydrophobicContact CG1-CD2 4.01Å; V177-F181 HydrophobicContact CG1-CE2 4.17Å; V177-F181 WeakPolarHBondContact O-CD2 3.26Å; V177-F181 PolarHBondContact O-N 3.49Å; V177-T189 HydrophobicContact CG1-CG2 4.39Å
178	Q	98.8	Very high	98.4	Very high	8 Å²	8	23 Å²	23	4%	0.037	12%	0.116	C	C	.	.	H	α-helix	trans	-56.3	-47.3	174.3	176.6	172.2	-79.8	0	0	111.2	H173 G174 A180 F181 Y182 E208 C218 N220	H173-Q178 PolarHBondContact CE1-NE2 3.15Å; H173-Q178 PolarHBondContact NE2-OE1 3.45Å; G174-Q178 PolarHBondContact O-N 2.77Å; Q178-A180 PolarHBondContact O-N 2.86Å; Q178-F181 CarbonylContact O-C 3.59Å; Q178-F181 PolarHBondContact O-N 2.94Å; Q178-Y182 HydrophobicContact CG-CD2 3.94Å; Q178-Y182 HydrophobicContact CG-CE2 4.39Å; Q178-Y182 WeakPolarHBondContact O-CA 3.25Å; Q178-Y182 WeakPolarHBondContact O-CB 3.32Å; Q178-Y182 PolarHBondContact O-N 2.9Å; Q178-E208 PolarHBondContact NE2-OE2 3.12Å; Q178-C218 HydrophobicContact CG-CB 4.17Å; Q178-N220 PolarHBondContact OE1-ND2 2.88Å; Q178-N220 PolarHBondContact OE1-OD1 3.08Å; Q178-N220 VanDerWaalsContact OE1-OD1 3.1Å
179	E	98.6	Very high	98.4	Very high	105 Å²	105	23.2 Å²	23.2	49%	0.491	12%	0.117	S	C	.	.	H	α-helix	trans	-61.3	-43.8	179.8	-175.8	-176.5	131.7	0	0	112.2	K137 D175 V177 F181 Y182	K137-E179 WeakPolarHBondContact CD-OE2 3.28Å; K137-E179 WeakPolarHBondContact CE-OE2 3.42Å; K137-E179 IonicContact NZ-OE2 3.38Å; K137-E179 PolarHBondContact NZ-OE2 2.87Å; D175-E179 WeakPolarHBondContact O-CB 3.4Å; D175-E179 PolarHBondContact O-N 3.42Å; V177-E179 VanDerWaalsContact C-N 3.32Å; V177-E179 PolarHBondContact O-N 2.8Å; E179-F181 PolarHBondContact O-N 2.9Å; E179-Y182 PolarHBondContact O-N 3.45Å
180	A	98.7	Very high	98.4	Very high	35 Å²	35	23.2 Å²	23.2	29%	0.289	12%	0.117	S	C	.	.	H	α-helix	trans	-60.5	-31.2	-179.5	0	0	0	0	0	113.2	F61 V151 G176 V177 Q178	F61-A180 HydrophobicContact CD2-CB 4.38Å; F61-A180 HydrophobicContact CE2-CB 3.57Å; F61-A180 HydrophobicContact CZ-CB 3.84Å; V151-A180 HydrophobicContact CB-CB 4.32Å; V151-A180 HydrophobicContact CG1-CB 3.79Å; V151-A180 HydrophobicContact CG2-CB 3.47Å; V151-A180 VanDerWaalsContact CG2-CB 3.47Å; G176-A180 WeakPolarHBondContact O-CB 3.46Å; G176-A180 PolarHBondContact O-N 2.82Å; G176-A180 VanDerWaalsContact O-N 3.1Å; V177-A180 PolarHBondContact O-N 2.82Å; Q178-A180 PolarHBondContact O-N 2.86Å
181	F	98.6	Very high	98.4	Very high	11 Å²	11	23.4 Å²	23.4	5%	0.048	12%	0.118	C	C	.	.	H	α-helix	trans	-113.8	11.4	-176.5	-61.3	-63.6	0	0	0	114.2	V151 I154 L155 L158 V177 Q178 E179 L183 T184 V187	V151-F181 HydrophobicContact CB-CE2 4.25Å; V151-F181 HydrophobicContact CB-CZ 4.42Å; V151-F181 HydrophobicContact CG1-CE2 4.08Å; V151-F181 HydrophobicContact CG1-CZ 3.86Å; V151-F181 HydrophobicContact CG2-CE2 3.92Å; I154-F181 HydrophobicContact CB-CE2 3.94Å; I154-F181 HydrophobicContact CB-CZ 3.7Å; I154-F181 HydrophobicContact CD1-CD2 4.47Å; I154-F181 HydrophobicContact CD1-CE2 3.78Å; I154-F181 HydrophobicContact CD1-CZ 4.44Å; I154-F181 HydrophobicContact CG1-CE2 4.46Å; I154-F181 HydrophobicContact CG2-CE1 3.95Å; I154-F181 HydrophobicContact CG2-CE2 3.75Å; I154-F181 HydrophobicContact CG2-CZ 3.36Å; L155-F181 HydrophobicContact CD2-CE1 4.17Å; L155-F181 HydrophobicContact CG-CZ 4.44Å; L158-F181 HydrophobicContact CD1-CE1 4.21Å; V177-F181 HydrophobicContact CG1-CD2 4.01Å; V177-F181 HydrophobicContact CG1-CE2 4.17Å; V177-F181 WeakPolarHBondContact O-CD2 3.26Å; V177-F181 PolarHBondContact O-N 3.49Å; Q178-F181 CarbonylContact O-C 3.59Å; Q178-F181 PolarHBondContact O-N 2.94Å; E179-F181 PolarHBondContact O-N 2.9Å; F181-L183 PolarHBondContact O-N 2.66Å; F181-T184 HydrophobicContact CB-CG2 3.84Å; F181-T184 HydrophobicContact CD1-CG2 3.83Å; F181-T184 HydrophobicContact CG-CG2 4.3Å; F181-T184 WeakPolarHBondContact O-CG2 3.29Å; F181-T184 PolarHBondContact O-N 3.4Å; F181-T184 VanDerWaalsContact O-N 3.08Å; F181-V187 HydrophobicContact CB-CB 3.88Å; F181-V187 HydrophobicContact CB-CG1 4.12Å; F181-V187 HydrophobicContact CB-CG2 4.43Å; F181-V187 HydrophobicContact CD1-CB 3.97Å; F181-V187 HydrophobicContact CD1-CG1 4.44Å; F181-V187 HydrophobicContact CD1-CG2 3.54Å; F181-V187 HydrophobicContact CD2-CB 4.21Å; F181-V187 HydrophobicContact CD2-CG1 3.8Å; F181-V187 HydrophobicContact CD2-CG2 4.29Å; F181-V187 HydrophobicContact CE1-CG2 3.78Å; F181-V187 HydrophobicContact CE2-CG1 4.34Å; F181-V187 HydrophobicContact CE2-CG2 4.48Å; F181-V187 HydrophobicContact CG-CB 3.74Å; F181-V187 HydrophobicContact CG-CG1 3.86Å; F181-V187 HydrophobicContact CG-CG2 3.82Å; F181-V187 HydrophobicContact CZ-CG2 4.25Å
182	Y	98.4	Very high	98.4	Very high	71 Å²	71	23.4 Å²	23.4	28%	0.278	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-22.9	-172.8	-159.3	-106.4	0	0	0	114.7	Q178 E179 G210 A211	Q178-Y182 HydrophobicContact CG-CD2 3.94Å; Q178-Y182 HydrophobicContact CG-CE2 4.39Å; Q178-Y182 WeakPolarHBondContact O-CA 3.25Å; Q178-Y182 WeakPolarHBondContact O-CB 3.32Å; Q178-Y182 PolarHBondContact O-N 2.9Å; E179-Y182 PolarHBondContact O-N 3.45Å; Y182-G210 VanDerWaalsContact CE2-CA 3.43Å; Y182-G210 VanDerWaalsContact CZ-CA 3.41Å; Y182-G210 WeakPolarHBondContact O-CA 3.21Å; Y182-A211 HydrophobicContact CD1-CB 3.89Å; Y182-A211 HydrophobicContact CE1-CB 3.63Å; Y182-A211 PolarHBondContact O-N 3.25Å
183	L	97.9	Very high	98.4	Very high	89 Å²	89	22.9 Å²	22.9	47%	0.466	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	1.1	-175.4	-55.5	-177.8	0	0	0	114.1	F181 A211 E212 G214	F181-L183 PolarHBondContact O-N 2.66Å; L183-A211 WeakPolarHBondContact CA-O 3.26Å; L183-A211 HydrophobicContact CD2-CB 3.75Å; L183-E212 HydrophobicContact CD2-CB 4.29Å; L183-E212 HydrophobicContact CD2-CG 4.1Å; L183-G214 VanDerWaalsContact C-N 3.35Å; L183-G214 PolarHBondContact O-N 2.9Å
184	T	96.1	Very high	98.4	Very high	37 Å²	37	23.6 Å²	23.6	23%	0.227	12%	0.119	C	C	.	.			trans	-117	146.7	-177	-171.1	0	0	0	0	112.7	F181 R186 V187 G214	F181-T184 HydrophobicContact CB-CG2 3.84Å; F181-T184 HydrophobicContact CD1-CG2 3.83Å; F181-T184 HydrophobicContact CG-CG2 4.3Å; F181-T184 WeakPolarHBondContact O-CG2 3.29Å; F181-T184 PolarHBondContact O-N 3.4Å; F181-T184 VanDerWaalsContact O-N 3.08Å; T184-R186 PolarHBondContact OG1-N 3.05Å; T184-R186 VanDerWaalsContact OG1-N 3.15Å; T184-V187 HydrophobicContact CG2-CB 4.31Å; T184-V187 HydrophobicContact CG2-CG2 4.38Å; T184-G214 VanDerWaalsContact C-CA 3.43Å; T184-G214 WeakPolarHBondContact O-CA 3.41Å
185	D	96.2	Very high	98.3	Very high	49 Å²	49	27.2 Å²	27.2	26%	0.262	13%	0.133	S	C	.	.	S	Bend	trans	-90.5	-9.7	170.8	58	-3.9	0	0	0	112.7	V187 Y217 Y247 P373	D185-V187 PolarHBondContact O-N 2.83Å; D185-Y217 HydrophobicContact CB-CD1 4.17Å; D185-Y217 HydrophobicContact CB-CD2 3.84Å; D185-Y217 HydrophobicContact CB-CE1 3.85Å; D185-Y217 HydrophobicContact CB-CE2 3.44Å; D185-Y217 VanDerWaalsContact CB-CE2 3.44Å; D185-Y217 HydrophobicContact CB-CG 4.19Å; D185-Y217 VanDerWaalsContact CB-CZ 3.45Å; D185-Y247 VanDerWaalsContact O-CE2 3.27Å; D185-Y247 WeakPolarHBondContact O-CE2 3.3Å; D185-Y247 PolarHBondContact O-OH 3.18Å; D185-P373 HydrophobicContact CB-CB 4.03Å; D185-P373 HydrophobicContact CB-CG 3.97Å; D185-P373 VanDerWaalsContact O-CG 3.31Å; D185-P373 WeakPolarHBondContact O-CG 3.41Å; D185-P373 VanDerWaalsContact OD2-CB 3.3Å; D185-P373 WeakPolarHBondContact OD2-CB 3.38Å
186	R	97.4	Very high	98.2	Very high	52 Å²	52	28 Å²	28	20%	0.196	14%	0.143	C	C	.	.	S	Bend	trans	-77.6	-11.9	-179	-64.7	-166.5	62.7	-163.8	-5.4	113.9	L158 H161 P162 R163 V164 T184 Y247 V375	L158-R186 HydrophobicContact CD2-CB 3.89Å; L158-R186 WeakPolarHBondContact CD2-O 3.42Å; L158-R186 PolarHBondContact O-NH2 3.33Å; H161-R186 PolarHBondContact O-NH2 3.18Å; P162-R186 PolarHBondContact O-NE 3.43Å; R163-R186 WeakPolarHBondContact CA-O 3.45Å; V164-R186 PolarHBondContact N-O 3.13Å; T184-R186 PolarHBondContact OG1-N 3.05Å; T184-R186 VanDerWaalsContact OG1-N 3.15Å; R186-Y247 PolarHBondContact O-OH 3.43Å; R186-V375 HydrophobicContact CG-CG2 4.46Å; R186-V375 VanDerWaalsContact NE-CG2 3.33Å
187	V	98.6	Very high	98	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	126.9	171.7	-175.5	0	0	0	0	108	I154 L158 V164 F181 T184 D185 T189 Y247	I154-V187 HydrophobicContact CD1-CG1 4.35Å; I154-V187 HydrophobicContact CG2-CG1 4.23Å; I154-V187 HydrophobicContact CG2-CG2 3.54Å; L158-V187 HydrophobicContact CD1-CG2 3.74Å; L158-V187 HydrophobicContact CD2-CG2 4.13Å; L158-V187 HydrophobicContact CG-CG2 4.32Å; V164-V187 VanDerWaalsContact O-CA 3.28Å; V164-V187 WeakPolarHBondContact O-CA 3.3Å; F181-V187 HydrophobicContact CB-CB 3.88Å; F181-V187 HydrophobicContact CB-CG1 4.12Å; F181-V187 HydrophobicContact CB-CG2 4.43Å; F181-V187 HydrophobicContact CD1-CB 3.97Å; F181-V187 HydrophobicContact CD1-CG1 4.44Å; F181-V187 HydrophobicContact CD1-CG2 3.54Å; F181-V187 HydrophobicContact CD2-CB 4.21Å; F181-V187 HydrophobicContact CD2-CG1 3.8Å; F181-V187 HydrophobicContact CD2-CG2 4.29Å; F181-V187 HydrophobicContact CE1-CG2 3.78Å; F181-V187 HydrophobicContact CE2-CG1 4.34Å; F181-V187 HydrophobicContact CE2-CG2 4.48Å; F181-V187 HydrophobicContact CG-CB 3.74Å; F181-V187 HydrophobicContact CG-CG1 3.86Å; F181-V187 HydrophobicContact CG-CG2 3.82Å; F181-V187 HydrophobicContact CZ-CG2 4.25Å; T184-V187 HydrophobicContact CG2-CB 4.31Å; T184-V187 HydrophobicContact CG2-CG2 4.38Å; D185-V187 PolarHBondContact O-N 2.83Å; V187-T189 HydrophobicContact CG1-CG2 4.4Å; V187-Y247 WeakPolarHBondContact CA-OH 3.43Å; V187-Y247 PolarHBondContact N-OH 2.92Å
188	M	98.5	Very high	97.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	128.5	168.8	179.6	167.9	-84.2	0	0	108.8	V164 L165 Y166 V190 Y217 L219 V243 Y247 L366 L369	V164-M188 PolarHBondContact O-N 3.14Å; L165-M188 HydrophobicContact CD1-CB 4.14Å; L165-M188 HydrophobicContact CD1-CG 4.13Å; Y166-M188 PolarHBondContact N-O 3.26Å; M188-V190 HydrophobicContact CG-CG2 4.38Å; M188-Y217 CarbonylContact C-O 3.5Å; M188-Y217 VanDerWaalsContact CA-O 3.24Å; M188-Y217 WeakPolarHBondContact CA-O 3.28Å; M188-Y217 HydrophobicContact CB-CD1 4.36Å; M188-Y217 HydrophobicContact CE-CD1 3.6Å; M188-Y217 HydrophobicContact CE-CE1 4.14Å; M188-Y217 HydrophobicContact CE-CG 4.2Å; M188-Y217 WeakPolarHBondContact CG-O 3.44Å; M188-L219 HydrophobicContact SD-CD1 4.24Å; M188-V243 HydrophobicContact SD-CG1 3.69Å; M188-Y247 HydrophobicContact CB-CD1 3.66Å; M188-Y247 HydrophobicContact CB-CD2 4.08Å; M188-Y247 HydrophobicContact CB-CE1 3.51Å; M188-Y247 HydrophobicContact CB-CE2 3.97Å; M188-Y247 HydrophobicContact CB-CG 3.94Å; M188-Y247 HydrophobicContact CE-CD2 3.92Å; M188-Y247 HydrophobicContact CE-CG 4.14Å; M188-Y247 PolarHBondContact N-OH 3.22Å; M188-Y247 HydrophobicContact SD-CD1 4.23Å; M188-Y247 HydrophobicContact SD-CD2 4.18Å; M188-Y247 HydrophobicContact SD-CG 3.8Å; M188-L366 HydrophobicContact CE-CD2 4.38Å; M188-L366 HydrophobicContact SD-CD2 4.48Å; M188-L369 HydrophobicContact CE-CD1 3.61Å; M188-L369 HydrophobicContact CE-CD2 4.32Å
189	T	98.9	Very high	97.7	Very high	4 Å²	4	47 Å²	47	3%	0.025	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	135.3	175.6	62.8	0	0	0	0	110.2	Y166 V177 V187 Y217 C218 L219	Y166-T189 HydrophobicContact CD1-CG2 3.96Å; Y166-T189 CarbonylContact O-C 3.51Å; V177-T189 HydrophobicContact CG1-CG2 4.39Å; V187-T189 HydrophobicContact CG1-CG2 4.4Å; T189-Y217 PolarHBondContact N-O 3.22Å; T189-C218 WeakPolarHBondContact OG1-CA 3.4Å; T189-L219 PolarHBondContact O-N 2.86Å
190	V	98.9	Very high	97.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	115.5	173.4	-168.8	0	0	0	0	108.4	L165 Y166 I167 D168 M188 F192 L219 V221 V239 I240 V243	L165-V190 HydrophobicContact CD1-CG2 3.74Å; Y166-V190 PolarHBondContact O-N 3.3Å; I167-V190 CarbonylContact C-O 3.58Å; I167-V190 WeakPolarHBondContact CA-O 3.48Å; D168-V190 PolarHBondContact N-O 3.08Å; M188-V190 HydrophobicContact CG-CG2 4.38Å; V190-F192 HydrophobicContact CG1-CD2 4.25Å; V190-F192 HydrophobicContact CG1-CE2 3.54Å; V190-F192 HydrophobicContact CG1-CZ 4.13Å; V190-L219 WeakPolarHBondContact CA-O 3.27Å; V190-L219 HydrophobicContact CG1-CB 4.3Å; V190-L219 HydrophobicContact CG2-CB 4.24Å; V190-L219 HydrophobicContact CG2-CD1 4.24Å; V190-V221 HydrophobicContact CG1-CG2 4.38Å; V190-V239 HydrophobicContact CG1-CG1 4.28Å; V190-I240 HydrophobicContact CB-CD1 4.41Å; V190-I240 HydrophobicContact CG1-CD1 4.06Å; V190-V243 HydrophobicContact CG2-CG1 4.03Å; V190-V243 HydrophobicContact CG2-CG2 4.01Å
191	S	98.9	Very high	97.6	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	129.3	-177	-178.6	0	0	0	0	111.5	G174 H193 L219 V221	G174-S191 PolarHBondContact N-OG 3.23Å; S191-H193 WeakPolarHBondContact CB-ND1 3.34Å; S191-H193 PolarHBondContact O-ND1 3.13Å; S191-H193 PolarHBondContact OG-ND1 3.21Å; S191-L219 PolarHBondContact N-O 2.83Å; S191-L219 VanDerWaalsContact N-O 3.09Å; S191-V221 WeakPolarHBondContact O-CB 3.38Å; S191-V221 PolarHBondContact O-N 3.34Å
192	F	98.9	Very high	97.6	Very high	1 Å²	1	47.1 Å²	47.1	0%	0.004	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	83.9	-179.2	-67.3	-102.4	0	0	0	110.8	D168 V190 V221 L223 Y232 L235 F236 V239 I240	D168-F192 PolarHBondContact O-N 3.34Å; V190-F192 HydrophobicContact CG1-CD2 4.25Å; V190-F192 HydrophobicContact CG1-CE2 3.54Å; V190-F192 HydrophobicContact CG1-CZ 4.13Å; F192-V221 HydrophobicContact CD1-CB 3.73Å; F192-V221 HydrophobicContact CD1-CG1 3.6Å; F192-V221 HydrophobicContact CD1-CG2 3.87Å; F192-V221 HydrophobicContact CD2-CG2 4.38Å; F192-V221 HydrophobicContact CE1-CB 4.1Å; F192-V221 HydrophobicContact CE1-CG1 3.85Å; F192-V221 HydrophobicContact CE1-CG2 3.79Å; F192-V221 HydrophobicContact CE2-CG2 4.31Å; F192-V221 HydrophobicContact CG-CB 4.08Å; F192-V221 HydrophobicContact CG-CG1 4.43Å; F192-V221 HydrophobicContact CG-CG2 4.16Å; F192-V221 HydrophobicContact CZ-CG2 4.02Å; F192-L223 HydrophobicContact CB-CD1 4.35Å; F192-Y232 HydrophobicContact CB-CE2 4.13Å; F192-Y232 WeakPolarHBondContact CB-OH 3.49Å; F192-L235 HydrophobicContact CD1-CD2 4.45Å; F192-L235 HydrophobicContact CE1-CD2 4.41Å; F192-L235 HydrophobicContact CE1-CG 4.37Å; F192-F236 HydrophobicContact CD1-CD2 4.22Å; F192-F236 AromaticContact CD2-CD2 3.93Å; F192-F236 HydrophobicContact CD2-CD2 3.93Å; F192-F236 HydrophobicContact CD2-CE2 4.08Å; F192-F236 HydrophobicContact CE1-CB 4.24Å; F192-F236 AromaticContact CE1-CD2 3.9Å; F192-F236 HydrophobicContact CE1-CD2 3.9Å; F192-F236 AromaticContact CE2-CD2 3.58Å; F192-F236 HydrophobicContact CE2-CD2 3.58Å; F192-F236 AromaticContact CE2-CE2 3.77Å; F192-F236 HydrophobicContact CE2-CE2 3.77Å; F192-F236 HydrophobicContact CG-CD2 4.24Å; F192-F236 HydrophobicContact CZ-CB 4.45Å; F192-F236 AromaticContact CZ-CD2 3.57Å; F192-F236 HydrophobicContact CZ-CD2 3.57Å; F192-F236 HydrophobicContact CZ-CE2 4.19Å; F192-F236 HydrophobicContact CZ-CG 4.3Å; F192-V239 HydrophobicContact CE1-CB 4.42Å; F192-V239 HydrophobicContact CE1-CG1 4.37Å; F192-V239 HydrophobicContact CZ-CB 4.03Å; F192-V239 HydrophobicContact CZ-CG1 3.71Å; F192-I240 HydrophobicContact CE2-CD1 3.84Å; F192-I240 HydrophobicContact CE2-CG1 4.26Å; F192-I240 HydrophobicContact CZ-CD1 4.14Å; F192-I240 HydrophobicContact CZ-CG1 4.23Å
193	H	98.8	Very high	97.6	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	163.7	-167.8	51.7	-97.5	0	0	0	111.7	I171 H172 H173 S191 G204 V221 L223	I171-H193 CarbonylContact O-C 3.49Å; I171-H193 VanDerWaalsContact O-CA 3.27Å; I171-H193 WeakPolarHBondContact O-CA 3.48Å; I171-H193 WeakPolarHBondContact O-CB 3.25Å; H172-H193 VanDerWaalsContact C-CB 3.47Å; H173-H193 HydrophobicContact CB-CB 4.27Å; H173-H193 AromaticContact CD2-CE1 3.51Å; H173-H193 AromaticContact CD2-ND1 3.72Å; H173-H193 AromaticContact CG-CE1 3.77Å; H173-H193 AromaticContact CG-ND1 3.97Å; S191-H193 WeakPolarHBondContact CB-ND1 3.34Å; S191-H193 PolarHBondContact O-ND1 3.13Å; S191-H193 PolarHBondContact OG-ND1 3.21Å; H193-G204 PolarHBondContact NE2-O 3.15Å; H193-V221 PolarHBondContact N-O 3.48Å; H193-L223 WeakPolarHBondContact O-CB 3.3Å; H193-L223 PolarHBondContact O-N 3.1Å
194	K	98.5	Very high	97.5	Very high	16 Å²	16	41.8 Å²	41.8	7%	0.07	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	134.1	169.1	177.6	174.7	177.4	-56.3	0	109.6	I171 G196 F199 L223 D225 C268 F269	I171-K194 HydrophobicContact CD1-CB 4.3Å; I171-K194 HydrophobicContact CG1-CB 3.84Å; I171-K194 PolarHBondContact O-N 3.17Å; K194-G196 PolarHBondContact NZ-O 3.26Å; K194-F199 HydrophobicContact CB-CD1 3.75Å; K194-F199 HydrophobicContact CB-CE1 3.73Å; K194-F199 HydrophobicContact CB-CG 4.38Å; K194-F199 HydrophobicContact CB-CZ 4.34Å; K194-F199 HydrophobicContact CD-CB 4.42Å; K194-F199 HydrophobicContact CD-CD1 3.97Å; K194-F199 HydrophobicContact CD-CD2 3.75Å; K194-F199 HydrophobicContact CD-CE1 4.15Å; K194-F199 HydrophobicContact CD-CE2 3.93Å; K194-F199 HydrophobicContact CD-CG 3.77Å; K194-F199 HydrophobicContact CD-CZ 4.13Å; K194-F199 HydrophobicContact CG-CB 4.44Å; K194-F199 HydrophobicContact CG-CD1 3.87Å; K194-F199 HydrophobicContact CG-CD2 4.48Å; K194-F199 HydrophobicContact CG-CE1 4.23Å; K194-F199 HydrophobicContact CG-CG 4.01Å; K194-L223 WeakPolarHBondContact CA-O 3.36Å; K194-D225 WeakPolarHBondContact CD-OD1 3.47Å; K194-D225 WeakPolarHBondContact CE-OD1 3.4Å; K194-D225 IonicContact NZ-OD1 3.98Å; K194-C268 WeakPolarHBondContact CD-SG 3.3Å; K194-C268 VanDerWaalsContact CE-SG 3.53Å; K194-F269 HydrophobicContact CB-CE1 3.69Å; K194-F269 HydrophobicContact CB-CZ 3.87Å; K194-F269 HydrophobicContact CG-CE1 4.41Å
195	Y	98.3	Very high	97.6	Very high	77 Å²	77	42.2 Å²	42.2	30%	0.302	22%	0.216	S	C	.	.			trans	-129.9	149.6	176.7	-174.7	-103.9	0	0	0	112.5	T203 D205 P222 L223	Y195-T203 VanDerWaalsContact CD2-O 3.31Å; Y195-T203 WeakPolarHBondContact CD2-O 3.43Å; Y195-T203 WeakPolarHBondContact CE2-O 3.37Å; Y195-D205 HydrophobicContact CE1-CB 4.14Å; Y195-D205 HydrophobicContact CE2-CB 4.25Å; Y195-D205 WeakPolarHBondContact OH-CB 3.14Å; Y195-P222 VanDerWaalsContact CB-CB 3.4Å; Y195-P222 HydrophobicContact CD1-CB 3.96Å; Y195-P222 HydrophobicContact CG-CB 3.9Å; Y195-L223 PolarHBondContact N-O 2.85Å
196	G	95.4	Very high	97.6	Very high	28 Å²	28	41 Å²	41	29%	0.289	21%	0.208	S	C	.	.	S	Bend	trans	93.9	170.7	179.3	0	0	0	0	0	114.9	K194 Y198 F199	K194-G196 PolarHBondContact NZ-O 3.26Å; G196-Y198 VanDerWaalsContact C-N 3.26Å; G196-Y198 PolarHBondContact O-N 2.55Å; G196-F199 WeakPolarHBondContact O-CB 3.47Å; G196-F199 PolarHBondContact O-N 2.79Å
197	N	94.3	Very high	97.5	Very high	141 Å²	141	46.5 Å²	46.5	75%	0.754	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	33.9	-176.4	-58	-33.7	0	0	0	114.3	F199	N197-F199 PolarHBondContact O-N 2.88Å
198	Y	94.2	Very high	97.4	Very high	232 Å²	232	48.9 Å²	48.9	91%	0.91	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	24.3	-176.6	-51.7	-78.7	0	0	0	114.3	G196 F200	G196-Y198 VanDerWaalsContact C-N 3.26Å; G196-Y198 PolarHBondContact O-N 2.55Å; Y198-F200 PolarHBondContact O-N 2.76Å
199	F	97.6	Very high	97.4	Very high	36 Å²	36	49.5 Å²	49.5	16%	0.158	25%	0.246	C	C	.	.			trans	-62.7	131.9	172.7	-171.3	-100.5	0	0	0	109.8	I171 H172 K194 G196 N197 G202	I171-F199 HydrophobicContact CD1-CZ 4.23Å; I171-F199 HydrophobicContact CG1-CE1 4.32Å; I171-F199 HydrophobicContact CG1-CZ 4.25Å; I171-F199 HydrophobicContact CG2-CE1 4.48Å; I171-F199 HydrophobicContact CG2-CZ 4.18Å; H172-F199 AromaticContact CD2-CE1 3.52Å; H172-F199 AromaticContact CD2-CZ 3.71Å; H172-F199 AromaticContact NE2-CE1 3.92Å; H172-F199 AromaticContact NE2-CZ 3.58Å; K194-F199 HydrophobicContact CB-CD1 3.75Å; K194-F199 HydrophobicContact CB-CE1 3.73Å; K194-F199 HydrophobicContact CB-CG 4.38Å; K194-F199 HydrophobicContact CB-CZ 4.34Å; K194-F199 HydrophobicContact CD-CB 4.42Å; K194-F199 HydrophobicContact CD-CD1 3.97Å; K194-F199 HydrophobicContact CD-CD2 3.75Å; K194-F199 HydrophobicContact CD-CE1 4.15Å; K194-F199 HydrophobicContact CD-CE2 3.93Å; K194-F199 HydrophobicContact CD-CG 3.77Å; K194-F199 HydrophobicContact CD-CZ 4.13Å; K194-F199 HydrophobicContact CG-CB 4.44Å; K194-F199 HydrophobicContact CG-CD1 3.87Å; K194-F199 HydrophobicContact CG-CD2 4.48Å; K194-F199 HydrophobicContact CG-CE1 4.23Å; K194-F199 HydrophobicContact CG-CG 4.01Å; G196-F199 WeakPolarHBondContact O-CB 3.47Å; G196-F199 PolarHBondContact O-N 2.79Å; N197-F199 PolarHBondContact O-N 2.88Å; F199-G202 WeakPolarHBondContact O-CA 3.32Å; F199-G202 PolarHBondContact O-N 2.87Å
200	F	98.2	Very high	97.3	Very high	79 Å²	79	49.5 Å²	49.5	35%	0.346	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	138.8	-176.7	-179.7	-93.9	0	0	0	110.7	H135 G143 H172 Y198	H135-F200 AromaticContact CD2-CE1 3.72Å; H135-F200 AromaticContact CE1-CE1 3.68Å; H135-F200 AromaticContact CG-CE1 3.97Å; H135-F200 AromaticContact ND1-CE1 3.93Å; H135-F200 AromaticContact NE2-CE1 3.48Å; H135-F200 WeakPolarHBondContact NE2-CE1 3.31Å; G143-F200 VanDerWaalsContact CA-CZ 3.42Å; H172-F200 PolarHBondContact CD2-O 3.49Å; Y198-F200 PolarHBondContact O-N 2.76Å
201	P	98.1	Very high	97.3	Very high	30 Å²	30	51 Å²	51	20%	0.195	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	cis	-86.6	3.7	1.9	34.1	-36	0	0	0	115.1	H173 D175 T203	H173-P201 HydrophobicContact CB-CG 4Å; D175-P201 HydrophobicContact CB-CG 3.91Å; P201-T203 VanDerWaalsContact C-N 3.28Å; P201-T203 WeakPolarHBondContact CG-OG1 3.47Å; P201-T203 PolarHBondContact O-N 3.22Å
202	G	97.1	Very high	97.1	Very high	44 Å²	44	58.3 Å²	58.3	45%	0.454	29%	0.292	S	S	.	.			trans	79.7	7.1	-178.1	0	0	0	0	0	114.8	F199	F199-G202 WeakPolarHBondContact O-CA 3.32Å; F199-G202 PolarHBondContact O-N 2.87Å
203	T	98	Very high	96.9	Very high	47 Å²	47	62 Å²	62	29%	0.288	32%	0.318	S	S	.	.			trans	-113.2	179.3	173.5	60.1	0	0	0	0	110.1	H173 D175 Y195 P201	H173-T203 VanDerWaalsContact ND1-C 3.33Å; H173-T203 PolarHBondContact ND1-OG1 3.35Å; D175-T203 WeakPolarHBondContact CB-OG1 3.44Å; Y195-T203 VanDerWaalsContact CD2-O 3.31Å; Y195-T203 WeakPolarHBondContact CD2-O 3.43Å; Y195-T203 WeakPolarHBondContact CE2-O 3.37Å; P201-T203 VanDerWaalsContact C-N 3.28Å; P201-T203 WeakPolarHBondContact CG-OG1 3.47Å; P201-T203 PolarHBondContact O-N 3.22Å
204	G	97.8	Very high	96.8	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.318	C	S	.	.			trans	92.1	28.7	-178.3	0	0	0	0	0	112.6	H173 H193 E208 N220	H173-G204 PolarHBondContact CE1-N 3.45Å; H173-G204 VanDerWaalsContact ND1-CA 3.33Å; H173-G204 WeakPolarHBondContact ND1-CA 3.18Å; H173-G204 PolarHBondContact ND1-N 3.47Å; H173-G204 VanDerWaalsContact ND1-N 3.15Å; H193-G204 PolarHBondContact NE2-O 3.15Å; G204-E208 PolarHBondContact N-OE1 2.88Å; G204-E208 PolarHBondContact N-OE2 3.3Å; G204-E208 VanDerWaalsContact N-OE2 3.11Å; G204-N220 WeakPolarHBondContact O-CB 3.48Å
205	D	96.7	Very high	96.7	Very high	47 Å²	47	67.5 Å²	67.5	25%	0.251	34%	0.339	S	S	.	.			trans	-59.5	145.3	166	-163.8	-21.3	0	0	0	109.3	Y195 Y207 E208 N220	Y195-D205 HydrophobicContact CE1-CB 4.14Å; Y195-D205 HydrophobicContact CE2-CB 4.25Å; Y195-D205 WeakPolarHBondContact OH-CB 3.14Å; D205-Y207 PolarHBondContact O-N 3.13Å; D205-Y207 WeakPolarHBondContact OD1-CD2 3.25Å; D205-Y207 PolarHBondContact OD1-N 3.11Å; D205-E208 HydrophobicContact CB-CG 4.21Å; D205-E208 PolarHBondContact N-OE1 3.26Å; D205-E208 VanDerWaalsContact N-OE1 3.13Å; D205-E208 WeakPolarHBondContact O-CB 3.43Å; D205-E208 PolarHBondContact O-N 3.36Å; D205-N220 WeakPolarHBondContact O-CB 3.32Å; D205-N220 PolarHBondContact O-ND2 2.89Å
206	M	95.8	Very high	96.7	Very high	22 Å²	22	65.8 Å²	65.8	11%	0.108	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-18.6	175.2	-168.4	170.4	59.4	0	0	113	P222 I358 T361	M206-P222 HydrophobicContact CB-CG 3.91Å; M206-I358 HydrophobicContact SD-CB 4.43Å; M206-I358 HydrophobicContact SD-CG1 4.32Å; M206-I358 HydrophobicContact SD-CG2 4.27Å; M206-T361 HydrophobicContact CE-CG2 3.58Å; M206-T361 HydrophobicContact CG-CG2 4.02Å; M206-T361 VanDerWaalsContact SD-CB 3.59Å; M206-T361 HydrophobicContact SD-CG2 3.64Å
207	Y	96	Very high	96.8	Very high	169 Å²	169	65.3 Å²	65.3	66%	0.663	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-7.8	176.5	-51.9	-65.3	0	0	0	114.3	D205 V209	D205-Y207 PolarHBondContact O-N 3.13Å; D205-Y207 WeakPolarHBondContact OD1-CD2 3.25Å; D205-Y207 PolarHBondContact OD1-N 3.11Å; Y207-V209 VanDerWaalsContact C-N 3.33Å; Y207-V209 PolarHBondContact O-N 2.88Å
208	E	97.8	Very high	97	Very high	50 Å²	50	58.8 Å²	58.8	23%	0.234	29%	0.287	C	S	.	.			trans	-77.5	81.8	170.9	-67.4	172.3	-143.2	0	0	109.8	Q178 G204 D205 N220	Q178-E208 PolarHBondContact NE2-OE2 3.12Å; G204-E208 PolarHBondContact N-OE1 2.88Å; G204-E208 PolarHBondContact N-OE2 3.3Å; G204-E208 VanDerWaalsContact N-OE2 3.11Å; D205-E208 HydrophobicContact CB-CG 4.21Å; D205-E208 PolarHBondContact N-OE1 3.26Å; D205-E208 VanDerWaalsContact N-OE1 3.13Å; D205-E208 WeakPolarHBondContact O-CB 3.43Å; D205-E208 PolarHBondContact O-N 3.36Å; E208-N220 PolarHBondContact O-ND2 2.81Å; E208-N220 VanDerWaalsContact O-ND2 3.08Å
209	V	97.8	Very high	97.2	Very high	14 Å²	14	47.8 Å²	47.8	9%	0.085	24%	0.244	C	C	.	.			trans	-99.4	11.4	-169.8	-62	0	0	0	0	114.6	Y207 R215 Y216	Y207-V209 VanDerWaalsContact C-N 3.33Å; Y207-V209 PolarHBondContact O-N 2.88Å; V209-R215 HydrophobicContact CG2-CG 4.34Å; V209-R215 CarbonylContact O-C 3.51Å; V209-Y216 HydrophobicContact CB-CD1 4.18Å; V209-Y216 HydrophobicContact CG1-CD1 4.45Å; V209-Y216 HydrophobicContact CG2-CD1 4.26Å; V209-Y216 HydrophobicContact CG2-CE1 4.27Å; V209-Y216 VanDerWaalsContact O-CA 3.3Å; V209-Y216 WeakPolarHBondContact O-CA 3.47Å; V209-Y216 PolarHBondContact O-N 3.3Å
210	G	97.5	Very high	97.2	Very high	4 Å²	4	46.2 Å²	46.2	4%	0.041	24%	0.237	C	C	.	.			trans	85.7	172.6	-170	0	0	0	0	0	113.2	Y182	Y182-G210 VanDerWaalsContact CE2-CA 3.43Å; Y182-G210 VanDerWaalsContact CZ-CA 3.41Å; Y182-G210 WeakPolarHBondContact O-CA 3.21Å
211	A	97.4	Very high	97.3	Very high	32 Å²	32	42.5 Å²	42.5	26%	0.264	22%	0.221	S	C	.	.			trans	-140.1	167	-178.5	0	0	0	0	0	112.3	Y182 L183 S213 G214 R215	Y182-A211 HydrophobicContact CD1-CB 3.89Å; Y182-A211 HydrophobicContact CE1-CB 3.63Å; Y182-A211 PolarHBondContact O-N 3.25Å; L183-A211 WeakPolarHBondContact CA-O 3.26Å; L183-A211 HydrophobicContact CD2-CB 3.75Å; A211-S213 PolarHBondContact O-N 2.86Å; A211-G214 CarbonylContact O-C 3.6Å; A211-G214 WeakPolarHBondContact O-CA 3.4Å; A211-G214 PolarHBondContact O-N 3.34Å; A211-R215 PolarHBondContact O-N 3.05Å
212	E	95.9	Very high	97.3	Very high	155 Å²	155	41.4 Å²	41.4	72%	0.724	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	50.6	-125.4	-177.1	-58.7	-177.1	-171.2	0	0	111.6	L183 G214 R215	L183-E212 HydrophobicContact CD2-CB 4.29Å; L183-E212 HydrophobicContact CD2-CG 4.1Å; E212-G214 VanDerWaalsContact C-N 3.26Å; E212-G214 PolarHBondContact O-N 3.14Å; E212-R215 WeakPolarHBondContact O-CB 3.24Å; E212-R215 PolarHBondContact O-N 3.14Å
213	S	94.4	Very high	97.4	Very high	78 Å²	78	39.3 Å²	39.3	55%	0.545	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-68.4	-26.9	177.7	-50.4	0	0	0	0	112.1	A211 R215	A211-S213 PolarHBondContact O-N 2.86Å; S213-R215 VanDerWaalsContact C-N 3.29Å; S213-R215 PolarHBondContact O-N 3Å
214	G	96.1	Very high	97.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-82	3.7	177.6	0	0	0	0	0	115.1	L183 T184 A211 E212 Y216 Y217	L183-G214 VanDerWaalsContact C-N 3.35Å; L183-G214 PolarHBondContact O-N 2.9Å; T184-G214 VanDerWaalsContact C-CA 3.43Å; T184-G214 WeakPolarHBondContact O-CA 3.41Å; A211-G214 CarbonylContact O-C 3.6Å; A211-G214 WeakPolarHBondContact O-CA 3.4Å; A211-G214 PolarHBondContact O-N 3.34Å; E212-G214 VanDerWaalsContact C-N 3.26Å; E212-G214 PolarHBondContact O-N 3.14Å; G214-Y216 PolarHBondContact O-N 3.34Å; G214-Y217 WeakPolarHBondContact O-CB 3.4Å; G214-Y217 PolarHBondContact O-N 3.23Å
215	R	96.9	Very high	97.4	Very high	132 Å²	132	43.8 Å²	43.8	50%	0.498	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	128.8	176.7	-168.9	-174.8	177.8	94	3.9	111.2	V209 A211 E212 S213 Y217	V209-R215 HydrophobicContact CG2-CG 4.34Å; V209-R215 CarbonylContact O-C 3.51Å; A211-R215 PolarHBondContact O-N 3.05Å; E212-R215 WeakPolarHBondContact O-CB 3.24Å; E212-R215 PolarHBondContact O-N 3.14Å; S213-R215 VanDerWaalsContact C-N 3.29Å; S213-R215 PolarHBondContact O-N 3Å; R215-Y217 VanDerWaalsContact C-N 3.31Å; R215-Y217 WeakPolarHBondContact O-CD2 3.49Å
216	Y	97.5	Very high	97.4	Very high	41 Å²	41	41.6 Å²	41.6	16%	0.161	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	71	9.3	-170.6	-53.4	-71.1	0	0	0	116.1	V209 G214 N365 M368	V209-Y216 HydrophobicContact CB-CD1 4.18Å; V209-Y216 HydrophobicContact CG1-CD1 4.45Å; V209-Y216 HydrophobicContact CG2-CD1 4.26Å; V209-Y216 HydrophobicContact CG2-CE1 4.27Å; V209-Y216 VanDerWaalsContact O-CA 3.3Å; V209-Y216 WeakPolarHBondContact O-CA 3.47Å; V209-Y216 PolarHBondContact O-N 3.3Å; G214-Y216 PolarHBondContact O-N 3.34Å; Y216-N365 HydrophobicContact CD1-CB 4.05Å; Y216-M368 HydrophobicContact CD1-CB 4.06Å; Y216-M368 HydrophobicContact CD1-CG 4.25Å; Y216-M368 HydrophobicContact CD2-CB 3.46Å; Y216-M368 VanDerWaalsContact CD2-CB 3.46Å; Y216-M368 HydrophobicContact CD2-CG 4.26Å; Y216-M368 HydrophobicContact CE1-CB 4.1Å; Y216-M368 HydrophobicContact CE1-CG 3.89Å; Y216-M368 HydrophobicContact CE2-CB 3.49Å; Y216-M368 VanDerWaalsContact CE2-CB 3.49Å; Y216-M368 HydrophobicContact CE2-CE 4.1Å; Y216-M368 HydrophobicContact CE2-CG 3.88Å; Y216-M368 HydrophobicContact CG-CB 3.75Å; Y216-M368 HydrophobicContact CG-CG 4.43Å
217	Y	97.8	Very high	97.6	Very high	19 Å²	19	40.5 Å²	40.5	8%	0.075	19%	0.189	C	C	.	.			trans	-98.1	2.7	173.9	-66.1	-93.6	0	0	0	113.4	D185 M188 T189 G214 R215 Y247 L369 P373	D185-Y217 HydrophobicContact CB-CD1 4.17Å; D185-Y217 HydrophobicContact CB-CD2 3.84Å; D185-Y217 HydrophobicContact CB-CE1 3.85Å; D185-Y217 HydrophobicContact CB-CE2 3.44Å; D185-Y217 VanDerWaalsContact CB-CE2 3.44Å; D185-Y217 HydrophobicContact CB-CG 4.19Å; D185-Y217 VanDerWaalsContact CB-CZ 3.45Å; M188-Y217 CarbonylContact C-O 3.5Å; M188-Y217 VanDerWaalsContact CA-O 3.24Å; M188-Y217 WeakPolarHBondContact CA-O 3.28Å; M188-Y217 HydrophobicContact CB-CD1 4.36Å; M188-Y217 HydrophobicContact CE-CD1 3.6Å; M188-Y217 HydrophobicContact CE-CE1 4.14Å; M188-Y217 HydrophobicContact CE-CG 4.2Å; M188-Y217 WeakPolarHBondContact CG-O 3.44Å; T189-Y217 PolarHBondContact N-O 3.22Å; G214-Y217 WeakPolarHBondContact O-CB 3.4Å; G214-Y217 PolarHBondContact O-N 3.23Å; R215-Y217 VanDerWaalsContact C-N 3.31Å; R215-Y217 WeakPolarHBondContact O-CD2 3.49Å; Y217-Y247 AromaticContact CD1-CD2 3.91Å; Y217-Y247 HydrophobicContact CD1-CD2 3.91Å; Y217-Y247 AromaticContact CD1-CE2 3.55Å; Y217-Y247 HydrophobicContact CD1-CE2 3.55Å; Y217-Y247 AromaticContact CE1-CD2 3.67Å; Y217-Y247 HydrophobicContact CE1-CD2 3.67Å; Y217-Y247 AromaticContact CE1-CE2 3.45Å; Y217-Y247 HydrophobicContact CE1-CE2 3.45Å; Y217-Y247 VanDerWaalsContact CE1-CE2 3.45Å; Y217-L369 HydrophobicContact CD1-CD2 4.43Å; Y217-L369 HydrophobicContact CD2-CD2 4.2Å; Y217-L369 HydrophobicContact CE1-CD2 3.98Å; Y217-L369 HydrophobicContact CE2-CD2 3.79Å; Y217-P373 HydrophobicContact CE1-CG 3.9Å; Y217-P373 WeakPolarHBondContact OH-CD 3.49Å
218	C	98.4	Very high	97.6	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.02	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	119.5	167.1	-54.8	0	0	0	0	109.4	Q178 T189	Q178-C218 HydrophobicContact CG-CB 4.17Å; T189-C218 WeakPolarHBondContact OG1-CA 3.4Å
219	L	98.5	Very high	97.7	Very high	2 Å²	2	35 Å²	35	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	103.2	179.5	-62.6	178.4	0	0	0	110.1	M188 T189 V190 S191 V243 I362 N365 L366	M188-L219 HydrophobicContact SD-CD1 4.24Å; T189-L219 PolarHBondContact O-N 2.86Å; V190-L219 WeakPolarHBondContact CA-O 3.27Å; V190-L219 HydrophobicContact CG1-CB 4.3Å; V190-L219 HydrophobicContact CG2-CB 4.24Å; V190-L219 HydrophobicContact CG2-CD1 4.24Å; S191-L219 PolarHBondContact N-O 2.83Å; S191-L219 VanDerWaalsContact N-O 3.09Å; L219-V243 HydrophobicContact CD1-CG2 3.55Å; L219-I362 HydrophobicContact CD1-CG2 4.2Å; L219-I362 HydrophobicContact CD2-CG2 4.45Å; L219-N365 HydrophobicContact CD2-CB 4.03Å; L219-L366 HydrophobicContact CD1-CD1 4.5Å; L219-L366 HydrophobicContact CD1-CD2 3.71Å; L219-L366 HydrophobicContact CD1-CG 4.06Å
220	N	98.8	Very high	97.7	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.016	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	129.3	175.3	-66.7	-48.1	0	0	0	110.9	H173 Q178 G204 D205 E208 P222	H173-N220 PolarHBondContact CD2-OD1 3.4Å; H173-N220 PolarHBondContact NE2-OD1 3.15Å; Q178-N220 PolarHBondContact OE1-ND2 2.88Å; Q178-N220 PolarHBondContact OE1-OD1 3.08Å; Q178-N220 VanDerWaalsContact OE1-OD1 3.1Å; G204-N220 WeakPolarHBondContact O-CB 3.48Å; D205-N220 WeakPolarHBondContact O-CB 3.32Å; D205-N220 PolarHBondContact O-ND2 2.89Å; E208-N220 PolarHBondContact O-ND2 2.81Å; E208-N220 VanDerWaalsContact O-ND2 3.08Å; N220-P222 WeakPolarHBondContact O-CD 3.37Å
221	V	98.7	Very high	97.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	85.6	178.9	-167.8	0	0	0	0	107.9	V190 S191 F192 H193 L223 L235 I358 I362	V190-V221 HydrophobicContact CG1-CG2 4.38Å; S191-V221 WeakPolarHBondContact O-CB 3.38Å; S191-V221 PolarHBondContact O-N 3.34Å; F192-V221 HydrophobicContact CD1-CB 3.73Å; F192-V221 HydrophobicContact CD1-CG1 3.6Å; F192-V221 HydrophobicContact CD1-CG2 3.87Å; F192-V221 HydrophobicContact CD2-CG2 4.38Å; F192-V221 HydrophobicContact CE1-CB 4.1Å; F192-V221 HydrophobicContact CE1-CG1 3.85Å; F192-V221 HydrophobicContact CE1-CG2 3.79Å; F192-V221 HydrophobicContact CE2-CG2 4.31Å; F192-V221 HydrophobicContact CG-CB 4.08Å; F192-V221 HydrophobicContact CG-CG1 4.43Å; F192-V221 HydrophobicContact CG-CG2 4.16Å; F192-V221 HydrophobicContact CZ-CG2 4.02Å; H193-V221 PolarHBondContact N-O 3.48Å; V221-L223 HydrophobicContact CG1-CD2 4.18Å; V221-L223 PolarHBondContact O-N 3.4Å; V221-L235 HydrophobicContact CG1-CD2 3.45Å; V221-L235 VanDerWaalsContact CG1-CD2 3.45Å; V221-L235 HydrophobicContact CG1-CG 4.27Å; V221-I358 HydrophobicContact CG1-CG2 3.73Å; V221-I362 HydrophobicContact CB-CD1 4.33Å; V221-I362 HydrophobicContact CG1-CD1 4.14Å; V221-I362 HydrophobicContact CG2-CD1 3.62Å
222	P	98.3	Very high	97.7	Very high	7 Å²	7	41.8 Å²	41.8	5%	0.045	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	110.5	-174.8	29.4	-36.2	0	0	0	111.4	Y195 M206 N220 Y354 I358	Y195-P222 VanDerWaalsContact CB-CB 3.4Å; Y195-P222 HydrophobicContact CD1-CB 3.96Å; Y195-P222 HydrophobicContact CG-CB 3.9Å; M206-P222 HydrophobicContact CB-CG 3.91Å; N220-P222 WeakPolarHBondContact O-CD 3.37Å; P222-Y354 PolarHBondContact O-OH 3.06Å; P222-I358 WeakPolarHBondContact O-CD1 3.44Å
223	L	98.7	Very high	97.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	165.7	179.6	-57.2	175.3	0	0	0	111.6	F192 H193 K194 Y195 V221 I227 Y232 L235 F269 L355	F192-L223 HydrophobicContact CB-CD1 4.35Å; H193-L223 WeakPolarHBondContact O-CB 3.3Å; H193-L223 PolarHBondContact O-N 3.1Å; K194-L223 WeakPolarHBondContact CA-O 3.36Å; Y195-L223 PolarHBondContact N-O 2.85Å; V221-L223 HydrophobicContact CG1-CD2 4.18Å; V221-L223 PolarHBondContact O-N 3.4Å; L223-I227 HydrophobicContact CD1-CD1 3.83Å; L223-I227 HydrophobicContact CD1-CG2 4.38Å; L223-I227 HydrophobicContact CD2-CD1 3.84Å; L223-I227 HydrophobicContact CG-CD1 4.32Å; L223-Y232 HydrophobicContact CD1-CD2 4.09Å; L223-Y232 HydrophobicContact CD1-CE2 3.82Å; L223-L235 HydrophobicContact CD2-CD2 3.64Å; L223-F269 HydrophobicContact CB-CE1 4.05Å; L223-F269 HydrophobicContact CB-CE2 4.48Å; L223-F269 HydrophobicContact CB-CZ 3.61Å; L223-F269 HydrophobicContact CD1-CE2 3.91Å; L223-F269 HydrophobicContact CD1-CZ 3.87Å; L223-F269 HydrophobicContact CG-CZ 4.35Å; L223-L355 HydrophobicContact CD2-CD2 3.96Å
224	R	98.3	Very high	98	Very high	108 Å²	108	38.3 Å²	38.3	41%	0.408	17%	0.173	S	C	.	.			trans	-113	172.6	177.5	-61	178.9	179.9	-177.2	-0.8	110.8	F269 Q349 N350 Y354	R224-F269 WeakPolarHBondContact O-CE1 3.39Å; R224-Q349 HydrophobicContact CB-CB 3.81Å; R224-Q349 WeakPolarHBondContact CD-O 3.41Å; R224-N350 PolarHBondContact N-OD1 3.05Å; R224-N350 PolarHBondContact O-ND2 2.8Å; R224-Y354 HydrophobicContact CG-CE1 3.91Å
225	D	97.9	Very high	98.1	Very high	34 Å²	34	38.5 Å²	38.5	18%	0.182	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	144.5	178.9	-60	-25.4	0	0	0	112.8	K194 I227 C268 I346 Q349 N350	K194-D225 WeakPolarHBondContact CD-OD1 3.47Å; K194-D225 WeakPolarHBondContact CE-OD1 3.4Å; K194-D225 IonicContact NZ-OD1 3.98Å; D225-I227 PolarHBondContact O-N 2.91Å; D225-C268 PolarHBondContact OD1-SG 3.18Å; D225-I346 HydrophobicContact CB-CG2 3.78Å; D225-Q349 HydrophobicContact CB-CG 4.44Å; D225-Q349 PolarHBondContact O-N 2.74Å; D225-Q349 PolarHBondContact OD2-NE2 3.04Å; D225-Q349 VanDerWaalsContact OD2-NE2 3.14Å; D225-N350 PolarHBondContact O-ND2 3.44Å
226	G	97.8	Very high	98.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	17.8	165.9	0	0	0	0	0	116	D228 C268 N270 N348	G226-D228 PolarHBondContact O-N 2.92Å; G226-C268 PolarHBondContact N-O 3.05Å; G226-N270 WeakPolarHBondContact CA-ND2 3.36Å; G226-N270 PolarHBondContact O-ND2 2.98Å; G226-N348 WeakPolarHBondContact O-CA 3.13Å; G226-N348 WeakPolarHBondContact O-CB 3.19Å; G226-N348 VanDerWaalsContact O-CG 3.22Å
227	I	98.5	Very high	98.3	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.156	C	C	.	.			trans	-54.4	129.7	173.9	-164.5	163.8	0	0	0	110.4	L223 D225 Y232 F269 N270 L271 N350 L355	L223-I227 HydrophobicContact CD1-CD1 3.83Å; L223-I227 HydrophobicContact CD1-CG2 4.38Å; L223-I227 HydrophobicContact CD2-CD1 3.84Å; L223-I227 HydrophobicContact CG-CD1 4.32Å; D225-I227 PolarHBondContact O-N 2.91Å; I227-Y232 HydrophobicContact CD1-CD2 3.93Å; I227-Y232 HydrophobicContact CD1-CG 4.48Å; I227-Y232 HydrophobicContact CG1-CD2 4.36Å; I227-Y232 HydrophobicContact CG2-CD2 4.04Å; I227-F269 HydrophobicContact CG2-CB 3.99Å; I227-F269 HydrophobicContact CG2-CD1 3.73Å; I227-F269 HydrophobicContact CG2-CD2 3.6Å; I227-F269 HydrophobicContact CG2-CE1 4.06Å; I227-F269 HydrophobicContact CG2-CE2 3.97Å; I227-F269 HydrophobicContact CG2-CG 3.49Å; I227-F269 VanDerWaalsContact CG2-CG 3.49Å; I227-F269 HydrophobicContact CG2-CZ 4.19Å; I227-N270 CarbonylContact O-C 3.54Å; I227-N270 WeakPolarHBondContact O-CA 3.24Å; I227-N270 WeakPolarHBondContact O-CB 3.41Å; I227-N270 PolarHBondContact O-N 3.15Å; I227-L271 HydrophobicContact CG2-CD2 4.47Å; I227-N350 WeakPolarHBondContact CB-ND2 3.35Å; I227-N350 HydrophobicContact CD1-CB 4.43Å; I227-N350 HydrophobicContact CG1-CB 4.4Å; I227-N350 PolarHBondContact N-ND2 3.11Å; I227-L355 HydrophobicContact CD1-CD2 4.43Å
228	D	97.6	Very high	98.3	Very high	57 Å²	57	34 Å²	34	31%	0.305	16%	0.164	S	C	.	.	B	Isolated β-bridge	trans	-100.6	168.8	-179.7	58.3	38.8	0	0	0	112.1	G226 Q230 S231 Y232 N348	G226-D228 PolarHBondContact O-N 2.92Å; D228-Q230 VanDerWaalsContact C-N 3.3Å; D228-Q230 PolarHBondContact O-N 3.39Å; D228-Q230 PolarHBondContact OD1-N 2.58Å; D228-S231 PolarHBondContact O-N 2.98Å; D228-S231 WeakPolarHBondContact OD1-CB 3.45Å; D228-S231 PolarHBondContact OD1-N 2.95Å; D228-S231 PolarHBondContact OD1-OG 3.21Å; D228-Y232 VanDerWaalsContact O-CB 3.32Å; D228-Y232 WeakPolarHBondContact O-CB 3.5Å; D228-Y232 PolarHBondContact O-N 3.15Å; D228-N348 VanDerWaalsContact CG-ND2 3.31Å; D228-N348 PolarHBondContact OD2-ND2 3.2Å
229	D	98	Very high	98.3	Very high	45 Å²	45	33.9 Å²	33.9	24%	0.241	16%	0.163	C	C	.	.	H	α-helix	trans	-51.8	-45.2	-179	-63.5	-12.5	0	0	0	113.2	Y232 K233 L271 S272 G275	D229-Y232 PolarHBondContact O-N 3.46Å; D229-K233 WeakPolarHBondContact O-CB 3.32Å; D229-K233 PolarHBondContact O-N 3.47Å; D229-L271 VanDerWaalsContact OD1-CA 3.3Å; D229-L271 WeakPolarHBondContact OD1-CA 3.24Å; D229-S272 PolarHBondContact OD1-N 3.29Å; D229-S272 VanDerWaalsContact OD2-CB 3.25Å; D229-S272 WeakPolarHBondContact OD2-CB 3.46Å; D229-S272 PolarHBondContact OD2-OG 2.67Å; D229-G275 WeakPolarHBondContact OD1-CA 3.14Å
230	Q	97.8	Very high	98.3	Very high	164 Å²	164	33.8 Å²	33.8	77%	0.766	16%	0.163	S	C	*	.	H	α-helix	trans	-66.8	-44.9	-176.1	-67.2	-171.9	1.9	0	0	111.5	D228 H234	D228-Q230 VanDerWaalsContact C-N 3.3Å; D228-Q230 PolarHBondContact O-N 3.39Å; D228-Q230 PolarHBondContact OD1-N 2.58Å; Q230-H234 WeakPolarHBondContact O-CB 3.33Å; Q230-H234 PolarHBondContact O-N 3.33Å
231	S	98.3	Very high	98.3	Very high	26 Å²	26	36.1 Å²	36.1	18%	0.182	18%	0.175	C	C	.	.	H	α-helix	trans	-66.4	-43.4	178.5	-58.7	0	0	0	0	111	D228 H234 L235 N348	D228-S231 PolarHBondContact O-N 2.98Å; D228-S231 WeakPolarHBondContact OD1-CB 3.45Å; D228-S231 PolarHBondContact OD1-N 2.95Å; D228-S231 PolarHBondContact OD1-OG 3.21Å; S231-H234 PolarHBondContact O-N 3.44Å; S231-L235 PolarHBondContact O-N 3.01Å; S231-N348 PolarHBondContact OG-ND2 3.47Å
232	Y	98.6	Very high	98.3	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.016	19%	0.188	C	C	.	.	H	α-helix	trans	-63	-51.1	178	-161.1	-82.6	0	0	0	110.9	I169 F192 L223 I227 D228 D229 H234 L235 F236 L271 C279	I169-Y232 WeakPolarHBondContact CB-OH 3.48Å; I169-Y232 WeakPolarHBondContact CG2-OH 3.26Å; F192-Y232 HydrophobicContact CB-CE2 4.13Å; F192-Y232 WeakPolarHBondContact CB-OH 3.49Å; L223-Y232 HydrophobicContact CD1-CD2 4.09Å; L223-Y232 HydrophobicContact CD1-CE2 3.82Å; I227-Y232 HydrophobicContact CD1-CD2 3.93Å; I227-Y232 HydrophobicContact CD1-CG 4.48Å; I227-Y232 HydrophobicContact CG1-CD2 4.36Å; I227-Y232 HydrophobicContact CG2-CD2 4.04Å; D228-Y232 VanDerWaalsContact O-CB 3.32Å; D228-Y232 WeakPolarHBondContact O-CB 3.5Å; D228-Y232 PolarHBondContact O-N 3.15Å; D229-Y232 PolarHBondContact O-N 3.46Å; Y232-H234 VanDerWaalsContact C-N 3.33Å; Y232-H234 PolarHBondContact O-N 3.24Å; Y232-L235 PolarHBondContact O-N 3.31Å; Y232-L235 VanDerWaalsContact O-N 3.08Å; Y232-F236 HydrophobicContact CD1-CB 3.9Å; Y232-F236 HydrophobicContact CD1-CD2 4.48Å; Y232-F236 HydrophobicContact CD1-CG 4.37Å; Y232-F236 HydrophobicContact CE1-CB 3.89Å; Y232-F236 AromaticContact CE1-CD2 3.64Å; Y232-F236 HydrophobicContact CE1-CD2 3.64Å; Y232-F236 HydrophobicContact CE1-CE2 4.44Å; Y232-F236 AromaticContact CE1-CG 3.95Å; Y232-F236 HydrophobicContact CE1-CG 3.95Å; Y232-F236 VanDerWaalsContact O-CB 3.25Å; Y232-F236 WeakPolarHBondContact O-CB 3.45Å; Y232-F236 PolarHBondContact O-N 3.31Å; Y232-L271 HydrophobicContact CD1-CD1 4.43Å; Y232-L271 HydrophobicContact CD2-CD1 3.94Å; Y232-L271 HydrophobicContact CD2-CD2 3.9Å; Y232-L271 HydrophobicContact CD2-CG 4.42Å; Y232-L271 HydrophobicContact CE1-CD1 4.49Å; Y232-L271 HydrophobicContact CE2-CD1 3.99Å; Y232-L271 HydrophobicContact CG-CD1 4.16Å; Y232-L271 HydrophobicContact CG-CD2 3.82Å; Y232-C279 WeakPolarHBondContact CE1-SG 3.35Å
233	K	98.3	Very high	98.3	Very high	80 Å²	80	38.4 Å²	38.4	35%	0.348	19%	0.186	S	C	.	.	H	α-helix	trans	-56.1	-44	176	-174.3	-170.3	-160.8	135.8	0	112.7	D229 L235 Q237 E278	D229-K233 WeakPolarHBondContact O-CB 3.32Å; D229-K233 PolarHBondContact O-N 3.47Å; K233-L235 PolarHBondContact O-N 3.34Å; K233-Q237 HydrophobicContact CG-CG 4.17Å; K233-Q237 PolarHBondContact O-N 3.29Å; K233-E278 WeakPolarHBondContact CD-OE2 3.45Å; K233-E278 VanDerWaalsContact CE-OE2 3.25Å; K233-E278 WeakPolarHBondContact CE-OE2 3.41Å; K233-E278 IonicContact NZ-OE1 3.96Å; K233-E278 PolarHBondContact NZ-OE1 3.36Å; K233-E278 IonicContact NZ-OE2 3.73Å; K233-E278 PolarHBondContact NZ-OE2 3.36Å
234	H	97.6	Very high	98.3	Very high	80 Å²	80	39.2 Å²	39.2	37%	0.37	19%	0.19	S	C	.	.	H	α-helix	trans	-62.8	-24.1	-179.6	-170.5	73.1	0	0	0	113.2	Q230 S231 Y232 P238 R359	Q230-H234 WeakPolarHBondContact O-CB 3.33Å; Q230-H234 PolarHBondContact O-N 3.33Å; S231-H234 PolarHBondContact O-N 3.44Å; Y232-H234 VanDerWaalsContact C-N 3.33Å; Y232-H234 PolarHBondContact O-N 3.24Å; H234-P238 WeakPolarHBondContact O-CD 3.02Å; H234-P238 WeakPolarHBondContact O-CG 3.41Å; H234-R359 PolarHBondContact NE2-NH1 2.96Å
235	L	98.6	Very high	98.2	Very high	3 Å²	3	38 Å²	38	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-95	-51.2	176.3	-176.5	68.7	0	0	0	112.2	F192 V221 L223 S231 Y232 K233 P238 V239 L355 I358 R359	F192-L235 HydrophobicContact CD1-CD2 4.45Å; F192-L235 HydrophobicContact CE1-CD2 4.41Å; F192-L235 HydrophobicContact CE1-CG 4.37Å; V221-L235 HydrophobicContact CG1-CD2 3.45Å; V221-L235 VanDerWaalsContact CG1-CD2 3.45Å; V221-L235 HydrophobicContact CG1-CG 4.27Å; L223-L235 HydrophobicContact CD2-CD2 3.64Å; S231-L235 PolarHBondContact O-N 3.01Å; Y232-L235 PolarHBondContact O-N 3.31Å; Y232-L235 VanDerWaalsContact O-N 3.08Å; K233-L235 PolarHBondContact O-N 3.34Å; L235-P238 WeakPolarHBondContact O-CD 3.34Å; L235-V239 HydrophobicContact CD1-CG2 4.16Å; L235-V239 HydrophobicContact CG-CG2 4.4Å; L235-V239 WeakPolarHBondContact O-CB 3.29Å; L235-V239 VanDerWaalsContact O-CG2 3.26Å; L235-V239 WeakPolarHBondContact O-CG2 3.47Å; L235-V239 PolarHBondContact O-N 2.96Å; L235-V239 VanDerWaalsContact O-N 3.15Å; L235-L355 HydrophobicContact CD2-CD2 4.05Å; L235-I358 HydrophobicContact CD1-CG2 4.44Å; L235-R359 HydrophobicContact CD1-CB 3.89Å
236	F	98.8	Very high	98.1	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.009	20%	0.198	C	C	.	.	H	α-helix	trans	-57.8	-52.5	-173.7	-177.1	-92.7	0	0	0	111.8	I167 I169 F192 Y232 V239 I240 C279 Y282 V283	I167-F236 HydrophobicContact CG2-CE2 4.02Å; I167-F236 HydrophobicContact CG2-CZ 4.21Å; I169-F236 HydrophobicContact CG2-CD2 4.33Å; I169-F236 HydrophobicContact CG2-CE2 3.56Å; I169-F236 HydrophobicContact CG2-CZ 4.25Å; F192-F236 HydrophobicContact CD1-CD2 4.22Å; F192-F236 AromaticContact CD2-CD2 3.93Å; F192-F236 HydrophobicContact CD2-CD2 3.93Å; F192-F236 HydrophobicContact CD2-CE2 4.08Å; F192-F236 HydrophobicContact CE1-CB 4.24Å; F192-F236 AromaticContact CE1-CD2 3.9Å; F192-F236 HydrophobicContact CE1-CD2 3.9Å; F192-F236 AromaticContact CE2-CD2 3.58Å; F192-F236 HydrophobicContact CE2-CD2 3.58Å; F192-F236 AromaticContact CE2-CE2 3.77Å; F192-F236 HydrophobicContact CE2-CE2 3.77Å; F192-F236 HydrophobicContact CG-CD2 4.24Å; F192-F236 HydrophobicContact CZ-CB 4.45Å; F192-F236 AromaticContact CZ-CD2 3.57Å; F192-F236 HydrophobicContact CZ-CD2 3.57Å; F192-F236 HydrophobicContact CZ-CE2 4.19Å; F192-F236 HydrophobicContact CZ-CG 4.3Å; Y232-F236 HydrophobicContact CD1-CB 3.9Å; Y232-F236 HydrophobicContact CD1-CD2 4.48Å; Y232-F236 HydrophobicContact CD1-CG 4.37Å; Y232-F236 HydrophobicContact CE1-CB 3.89Å; Y232-F236 AromaticContact CE1-CD2 3.64Å; Y232-F236 HydrophobicContact CE1-CD2 3.64Å; Y232-F236 HydrophobicContact CE1-CE2 4.44Å; Y232-F236 AromaticContact CE1-CG 3.95Å; Y232-F236 HydrophobicContact CE1-CG 3.95Å; Y232-F236 VanDerWaalsContact O-CB 3.25Å; Y232-F236 WeakPolarHBondContact O-CB 3.45Å; Y232-F236 PolarHBondContact O-N 3.31Å; F236-V239 PolarHBondContact O-N 2.97Å; F236-I240 HydrophobicContact CD1-CG1 4.18Å; F236-I240 HydrophobicContact CD2-CG1 4.11Å; F236-I240 HydrophobicContact CE1-CG1 3.9Å; F236-I240 HydrophobicContact CE2-CD1 4.36Å; F236-I240 HydrophobicContact CE2-CG1 3.82Å; F236-I240 HydrophobicContact CG-CG1 4.29Å; F236-I240 HydrophobicContact CZ-CD1 4.49Å; F236-I240 HydrophobicContact CZ-CG1 3.72Å; F236-I240 WeakPolarHBondContact O-CB 3.47Å; F236-I240 WeakPolarHBondContact O-CG1 3.36Å; F236-I240 PolarHBondContact O-N 3.12Å; F236-C279 HydrophobicContact CD1-CB 4.27Å; F236-C279 HydrophobicContact CE1-CB 3.73Å; F236-C279 HydrophobicContact CE2-CB 4.19Å; F236-C279 HydrophobicContact CZ-CB 3.69Å; F236-Y282 HydrophobicContact CD1-CD1 4.21Å; F236-Y282 AromaticContact CE1-CD1 3.97Å; F236-Y282 HydrophobicContact CE1-CD1 3.97Å; F236-V283 HydrophobicContact CE1-CG2 4.14Å; F236-V283 HydrophobicContact CZ-CG2 3.87Å
237	Q	98.7	Very high	98.1	Very high	57 Å²	57	39.7 Å²	39.7	27%	0.266	20%	0.198	S	C	.	.	H	α-helix	trans	-62.8	-49.6	-174	-65.1	-173.6	-20.8	0	0	112.7	K233 V239 N241 Y282	K233-Q237 HydrophobicContact CG-CG 4.17Å; K233-Q237 PolarHBondContact O-N 3.29Å; Q237-V239 PolarHBondContact O-N 2.98Å; Q237-N241 VanDerWaalsContact O-CB 3.29Å; Q237-N241 WeakPolarHBondContact O-CB 3.48Å; Q237-N241 PolarHBondContact O-N 2.7Å; Q237-Y282 HydrophobicContact CB-CD1 4.29Å; Q237-Y282 HydrophobicContact CB-CD2 4.4Å; Q237-Y282 HydrophobicContact CB-CE1 3.84Å; Q237-Y282 HydrophobicContact CB-CE2 3.96Å; Q237-Y282 HydrophobicContact CG-CD1 3.95Å; Q237-Y282 HydrophobicContact CG-CD2 3.8Å; Q237-Y282 HydrophobicContact CG-CE1 4Å; Q237-Y282 HydrophobicContact CG-CE2 3.86Å; Q237-Y282 HydrophobicContact CG-CG 3.83Å; Q237-Y282 WeakPolarHBondContact O-CE1 3.18Å; Q237-Y282 PolarHBondContact O-OH 3.31Å
238	P	98.4	Very high	98	Very high	39 Å²	39	45 Å²	45	25%	0.253	22%	0.223	S	C	.	.	H	α-helix	trans	-63.2	-38.2	176.2	-25.5	36.8	0	0	0	113.9	H234 L235 Q242 F363	H234-P238 WeakPolarHBondContact O-CD 3.02Å; H234-P238 WeakPolarHBondContact O-CG 3.41Å; L235-P238 WeakPolarHBondContact O-CD 3.34Å; P238-Q242 WeakPolarHBondContact O-CG 3.38Å; P238-Q242 PolarHBondContact O-N 2.86Å; P238-Q242 VanDerWaalsContact O-N 3.13Å; P238-F363 HydrophobicContact CB-CZ 4.05Å
239	V	98.7	Very high	98	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.3	-54.8	177.6	167.5	0	0	0	0	110.3	V190 F192 L235 F236 Q237 N241 Q242 V243 I362 F363	V190-V239 HydrophobicContact CG1-CG1 4.28Å; F192-V239 HydrophobicContact CE1-CB 4.42Å; F192-V239 HydrophobicContact CE1-CG1 4.37Å; F192-V239 HydrophobicContact CZ-CB 4.03Å; F192-V239 HydrophobicContact CZ-CG1 3.71Å; L235-V239 HydrophobicContact CD1-CG2 4.16Å; L235-V239 HydrophobicContact CG-CG2 4.4Å; L235-V239 WeakPolarHBondContact O-CB 3.29Å; L235-V239 VanDerWaalsContact O-CG2 3.26Å; L235-V239 WeakPolarHBondContact O-CG2 3.47Å; L235-V239 PolarHBondContact O-N 2.96Å; L235-V239 VanDerWaalsContact O-N 3.15Å; F236-V239 PolarHBondContact O-N 2.97Å; Q237-V239 PolarHBondContact O-N 2.98Å; V239-N241 VanDerWaalsContact C-N 3.31Å; V239-N241 PolarHBondContact O-N 3.49Å; V239-Q242 PolarHBondContact O-N 2.93Å; V239-V243 HydrophobicContact CG1-CG2 4.36Å; V239-V243 VanDerWaalsContact O-CG2 3.29Å; V239-V243 WeakPolarHBondContact O-CG2 3.15Å; V239-V243 PolarHBondContact O-N 2.87Å; V239-I362 HydrophobicContact CG1-CD1 4.36Å; V239-I362 HydrophobicContact CG1-CG2 4.1Å; V239-I362 HydrophobicContact CG2-CD1 3.92Å; V239-I362 HydrophobicContact CG2-CG2 4.39Å; V239-F363 HydrophobicContact CG2-CE1 4.42Å
240	I	98.8	Very high	98.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.4	-37.5	-178.9	-64.9	-53.9	0	0	0	111.5	I167 V190 F192 F236 Q242 V243 V244 Y282 V283 F286	I167-I240 HydrophobicContact CD1-CD1 3.85Å; I167-I240 HydrophobicContact CD1-CG1 4.47Å; I167-I240 HydrophobicContact CD1-CG2 4.12Å; I167-I240 HydrophobicContact CG1-CD1 4.08Å; I167-I240 HydrophobicContact CG2-CD1 4.04Å; V190-I240 HydrophobicContact CB-CD1 4.41Å; V190-I240 HydrophobicContact CG1-CD1 4.06Å; F192-I240 HydrophobicContact CE2-CD1 3.84Å; F192-I240 HydrophobicContact CE2-CG1 4.26Å; F192-I240 HydrophobicContact CZ-CD1 4.14Å; F192-I240 HydrophobicContact CZ-CG1 4.23Å; F236-I240 HydrophobicContact CD1-CG1 4.18Å; F236-I240 HydrophobicContact CD2-CG1 4.11Å; F236-I240 HydrophobicContact CE1-CG1 3.9Å; F236-I240 HydrophobicContact CE2-CD1 4.36Å; F236-I240 HydrophobicContact CE2-CG1 3.82Å; F236-I240 HydrophobicContact CG-CG1 4.29Å; F236-I240 HydrophobicContact CZ-CD1 4.49Å; F236-I240 HydrophobicContact CZ-CG1 3.72Å; F236-I240 WeakPolarHBondContact O-CB 3.47Å; F236-I240 WeakPolarHBondContact O-CG1 3.36Å; F236-I240 PolarHBondContact O-N 3.12Å; I240-Q242 PolarHBondContact O-N 3.1Å; I240-V243 PolarHBondContact O-N 3.5Å; I240-V244 HydrophobicContact CG2-CG2 4.33Å; I240-V244 WeakPolarHBondContact O-CG2 3.35Å; I240-V244 PolarHBondContact O-N 3.18Å; I240-Y282 HydrophobicContact CB-CD1 4.46Å; I240-Y282 HydrophobicContact CB-CE1 4.08Å; I240-Y282 HydrophobicContact CG2-CD1 4.33Å; I240-Y282 HydrophobicContact CG2-CE1 4.11Å; I240-V283 HydrophobicContact CG2-CG2 4.46Å; I240-F286 HydrophobicContact CG2-CE2 3.63Å; I240-F286 HydrophobicContact CG2-CZ 4.07Å
241	N	98.6	Very high	98.1	Very high	52 Å²	52	35 Å²	35	28%	0.278	18%	0.176	S	C	.	.	H	α-helix	trans	-57.6	-51	174.5	-167.1	91.8	0	0	0	111.8	Q237 V239 V243 V244 D245 Y282	Q237-N241 VanDerWaalsContact O-CB 3.29Å; Q237-N241 WeakPolarHBondContact O-CB 3.48Å; Q237-N241 PolarHBondContact O-N 2.7Å; V239-N241 VanDerWaalsContact C-N 3.31Å; V239-N241 PolarHBondContact O-N 3.49Å; N241-V243 VanDerWaalsContact C-N 3.32Å; N241-V243 PolarHBondContact O-N 3.37Å; N241-V244 PolarHBondContact O-N 3.3Å; N241-D245 PolarHBondContact ND2-OD2 3.42Å; N241-D245 VanDerWaalsContact O-CG 3.23Å; N241-D245 PolarHBondContact O-N 3.29Å; N241-Y282 WeakPolarHBondContact CB-OH 3.41Å
242	Q	97.6	Very high	98.1	Very high	56 Å²	56	33.8 Å²	33.8	26%	0.262	17%	0.168	S	C	.	.	H	α-helix	trans	-65.3	-38.2	-179.6	-70.9	-66.7	-57.3	0	0	111.5	P238 V239 I240 D245 F246 F363 L366	P238-Q242 WeakPolarHBondContact O-CG 3.38Å; P238-Q242 PolarHBondContact O-N 2.86Å; P238-Q242 VanDerWaalsContact O-N 3.13Å; V239-Q242 PolarHBondContact O-N 2.93Å; I240-Q242 PolarHBondContact O-N 3.1Å; Q242-D245 PolarHBondContact O-N 3.05Å; Q242-F246 WeakPolarHBondContact O-CB 3.46Å; Q242-F246 WeakPolarHBondContact O-CD2 3.35Å; Q242-F246 PolarHBondContact O-N 3.12Å; Q242-F363 HydrophobicContact CB-CD1 4.3Å; Q242-F363 HydrophobicContact CB-CE1 3.93Å; Q242-F363 HydrophobicContact CB-CZ 4.37Å; Q242-F363 HydrophobicContact CG-CD1 4.07Å; Q242-F363 HydrophobicContact CG-CD2 4.49Å; Q242-F363 HydrophobicContact CG-CE1 3.53Å; Q242-F363 HydrophobicContact CG-CE2 3.98Å; Q242-F363 HydrophobicContact CG-CZ 3.47Å; Q242-F363 VanDerWaalsContact CG-CZ 3.47Å; Q242-L366 HydrophobicContact CB-CD1 3.64Å
243	V	98.5	Very high	98.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-57.9	-50.3	173.8	168	0	0	0	0	110.6	L165 M188 V190 L219 V239 I240 N241 D245 F246 Y247 L366	L165-V243 HydrophobicContact CD1-CG1 3.53Å; L165-V243 HydrophobicContact CD2-CG1 3.72Å; L165-V243 HydrophobicContact CG-CG1 4.29Å; M188-V243 HydrophobicContact SD-CG1 3.69Å; V190-V243 HydrophobicContact CG2-CG1 4.03Å; V190-V243 HydrophobicContact CG2-CG2 4.01Å; L219-V243 HydrophobicContact CD1-CG2 3.55Å; V239-V243 HydrophobicContact CG1-CG2 4.36Å; V239-V243 VanDerWaalsContact O-CG2 3.29Å; V239-V243 WeakPolarHBondContact O-CG2 3.15Å; V239-V243 PolarHBondContact O-N 2.87Å; I240-V243 PolarHBondContact O-N 3.5Å; N241-V243 VanDerWaalsContact C-N 3.32Å; N241-V243 PolarHBondContact O-N 3.37Å; V243-D245 VanDerWaalsContact C-N 3.34Å; V243-D245 PolarHBondContact O-N 3.39Å; V243-F246 PolarHBondContact O-N 2.8Å; V243-Y247 WeakPolarHBondContact O-CA 3.38Å; V243-Y247 WeakPolarHBondContact O-CB 3.48Å; V243-Y247 PolarHBondContact O-N 3.48Å; V243-L366 HydrophobicContact CG2-CD1 4.08Å; V243-L366 HydrophobicContact CG2-CD2 4.2Å
244	V	98.4	Very high	98.2	Very high	16 Å²	16	29.8 Å²	29.8	10%	0.097	15%	0.151	C	C	.	.	H	α-helix	trans	-63	-40.7	179.2	173.2	0	0	0	0	111.4	L165 I240 N241 Q248 P249 F286 I288	L165-V244 HydrophobicContact CD2-CG2 4.04Å; I240-V244 HydrophobicContact CG2-CG2 4.33Å; I240-V244 WeakPolarHBondContact O-CG2 3.35Å; I240-V244 PolarHBondContact O-N 3.18Å; N241-V244 PolarHBondContact O-N 3.3Å; V244-Q248 VanDerWaalsContact O-CA 3.22Å; V244-Q248 WeakPolarHBondContact O-CA 3.29Å; V244-Q248 PolarHBondContact O-N 3.49Å; V244-P249 HydrophobicContact CG2-CG 4.44Å; V244-F286 HydrophobicContact CB-CD1 4.18Å; V244-F286 HydrophobicContact CB-CE1 4.01Å; V244-F286 HydrophobicContact CB-CZ 4.41Å; V244-F286 HydrophobicContact CG1-CD1 3.73Å; V244-F286 HydrophobicContact CG1-CE1 4.02Å; V244-F286 HydrophobicContact CG1-CG 4.31Å; V244-F286 HydrophobicContact CG2-CD1 4.15Å; V244-F286 HydrophobicContact CG2-CD2 4.21Å; V244-F286 HydrophobicContact CG2-CE1 4.09Å; V244-F286 HydrophobicContact CG2-CE2 4.18Å; V244-F286 HydrophobicContact CG2-CG 4.22Å; V244-F286 HydrophobicContact CG2-CZ 4.11Å; V244-I288 HydrophobicContact CG1-CD1 4.15Å
245	D	96.1	Very high	98.2	Very high	83 Å²	83	26 Å²	26	44%	0.444	13%	0.133	S	C	.	.	H	α-helix	trans	-63.3	-45.6	179.3	-72	-22.2	0	0	0	112.9	N241 Q242 V243 Q248	N241-D245 PolarHBondContact ND2-OD2 3.42Å; N241-D245 VanDerWaalsContact O-CG 3.23Å; N241-D245 PolarHBondContact O-N 3.29Å; Q242-D245 PolarHBondContact O-N 3.05Å; V243-D245 VanDerWaalsContact C-N 3.34Å; V243-D245 PolarHBondContact O-N 3.39Å; D245-Q248 WeakPolarHBondContact O-CG 3.28Å
246	F	96.3	Very high	98.3	Very high	70 Å²	70	25.8 Å²	25.8	31%	0.307	13%	0.132	S	C	.	.	H	α-helix	trans	-79.5	-45.7	-178	-85.4	-94.4	0	0	0	112.4	Q242 V243 L366 K367 L369	Q242-F246 WeakPolarHBondContact O-CB 3.46Å; Q242-F246 WeakPolarHBondContact O-CD2 3.35Å; Q242-F246 PolarHBondContact O-N 3.12Å; V243-F246 PolarHBondContact O-N 2.8Å; F246-L366 HydrophobicContact CB-CD2 4.39Å; F246-L366 WeakPolarHBondContact CD1-O 3.35Å; F246-L366 HydrophobicContact CD2-CB 4.42Å; F246-L366 HydrophobicContact CG-CB 4.43Å; F246-K367 HydrophobicContact CZ-CG 4.35Å; F246-L369 HydrophobicContact CB-CD1 4.18Å
247	Y	97.5	Very high	98.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-84	-28.3	-173.6	-171.5	-121.9	0	0	0	112.9	R163 L165 D185 R186 V187 M188 Y217 V243 P249 P373	R163-Y247 HydrophobicContact CB-CE1 3.81Å; R163-Y247 HydrophobicContact CB-CE2 4.32Å; R163-Y247 WeakPolarHBondContact CD-O 3.09Å; R163-Y247 HydrophobicContact CG-CE2 4.14Å; R163-Y247 PolarHBondContact NE-O 3.1Å; L165-Y247 HydrophobicContact CB-CD1 4.25Å; L165-Y247 HydrophobicContact CB-CE1 4.35Å; D185-Y247 VanDerWaalsContact O-CE2 3.27Å; D185-Y247 WeakPolarHBondContact O-CE2 3.3Å; D185-Y247 PolarHBondContact O-OH 3.18Å; R186-Y247 PolarHBondContact O-OH 3.43Å; V187-Y247 WeakPolarHBondContact CA-OH 3.43Å; V187-Y247 PolarHBondContact N-OH 2.92Å; M188-Y247 HydrophobicContact CB-CD1 3.66Å; M188-Y247 HydrophobicContact CB-CD2 4.08Å; M188-Y247 HydrophobicContact CB-CE1 3.51Å; M188-Y247 HydrophobicContact CB-CE2 3.97Å; M188-Y247 HydrophobicContact CB-CG 3.94Å; M188-Y247 HydrophobicContact CE-CD2 3.92Å; M188-Y247 HydrophobicContact CE-CG 4.14Å; M188-Y247 PolarHBondContact N-OH 3.22Å; M188-Y247 HydrophobicContact SD-CD1 4.23Å; M188-Y247 HydrophobicContact SD-CD2 4.18Å; M188-Y247 HydrophobicContact SD-CG 3.8Å; Y217-Y247 AromaticContact CD1-CD2 3.91Å; Y217-Y247 HydrophobicContact CD1-CD2 3.91Å; Y217-Y247 AromaticContact CD1-CE2 3.55Å; Y217-Y247 HydrophobicContact CD1-CE2 3.55Å; Y217-Y247 AromaticContact CE1-CD2 3.67Å; Y217-Y247 HydrophobicContact CE1-CD2 3.67Å; Y217-Y247 AromaticContact CE1-CE2 3.45Å; Y217-Y247 HydrophobicContact CE1-CE2 3.45Å; Y217-Y247 VanDerWaalsContact CE1-CE2 3.45Å; V243-Y247 WeakPolarHBondContact O-CA 3.38Å; V243-Y247 WeakPolarHBondContact O-CB 3.48Å; V243-Y247 PolarHBondContact O-N 3.48Å; Y247-P249 HydrophobicContact CD1-CB 3.98Å; Y247-P249 HydrophobicContact CD1-CG 4.36Å; Y247-P249 HydrophobicContact CE1-CB 4.21Å; Y247-P373 HydrophobicContact CE2-CG 3.99Å
248	Q	97.3	Very high	98.3	Very high	112 Å²	112	23 Å²	23	52%	0.523	12%	0.12	S	C	.	.			trans	49.3	56.4	-179.8	-57	179.8	11.6	0	0	112.6	R163 V244 D245 A372	R163-Q248 PolarHBondContact NE-O 3.17Å; R163-Q248 PolarHBondContact NH2-O 3.38Å; V244-Q248 VanDerWaalsContact O-CA 3.22Å; V244-Q248 WeakPolarHBondContact O-CA 3.29Å; V244-Q248 PolarHBondContact O-N 3.49Å; D245-Q248 WeakPolarHBondContact O-CG 3.28Å; Q248-A372 HydrophobicContact CB-CB 4.32Å; Q248-A372 HydrophobicContact CG-CB 4.47Å
249	P	98.3	Very high	98.3	Very high	8 Å²	8	21.2 Å²	21.2	5%	0.052	11%	0.108	C	C	.	.			trans	-61.2	150.2	-179.1	27	-33.5	0	0	0	111.4	L165 V244 Y247 I252 I288	L165-P249 HydrophobicContact CB-CB 3.54Å; L165-P249 HydrophobicContact CB-CG 3.72Å; L165-P249 HydrophobicContact CD2-CG 3.91Å; L165-P249 HydrophobicContact CG-CG 4.47Å; V244-P249 HydrophobicContact CG2-CG 4.44Å; Y247-P249 HydrophobicContact CD1-CB 3.98Å; Y247-P249 HydrophobicContact CD1-CG 4.36Å; Y247-P249 HydrophobicContact CE1-CB 4.21Å; P249-I252 HydrophobicContact CG-CG1 4.32Å; P249-I288 HydrophobicContact CG-CD1 4.02Å
250	T	98.3	Very high	98.2	Very high	46 Å²	46	21.2 Å²	21.2	28%	0.282	11%	0.108	S	C	.	.	S	Bend	trans	-103.8	-6.1	172.6	60.1	0	0	0	0	112.6	H161 P162 R163 P289	H161-T250 WeakPolarHBondContact CA-OG1 3.23Å; H161-T250 VanDerWaalsContact CB-OG1 3.27Å; H161-T250 WeakPolarHBondContact CB-OG1 3.47Å; H161-T250 PolarHBondContact CE1-O 3.12Å; H161-T250 VanDerWaalsContact CE1-O 3.25Å; H161-T250 VanDerWaalsContact ND1-C 3.33Å; H161-T250 PolarHBondContact ND1-O 3.18Å; H161-T250 PolarHBondContact ND1-OG1 3.13Å; P162-T250 WeakPolarHBondContact CD-OG1 3.1Å; P162-T250 HydrophobicContact CG-CG2 3.97Å; R163-T250 PolarHBondContact O-N 3.36Å; R163-T250 PolarHBondContact O-OG1 2.61Å; T250-P289 WeakPolarHBondContact O-CD 3.15Å
251	C	98.8	Very high	98.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	148.5	167.3	-167.2	0	0	0	0	108.9	H161 V164 L165 P289	H161-C251 HydrophobicContact CB-CB 4.18Å; V164-C251 WeakPolarHBondContact CA-O 3.45Å; V164-C251 HydrophobicContact CG2-CB 4.42Å; L165-C251 PolarHBondContact N-O 3.25Å; C251-P289 WeakPolarHBondContact CA-O 3.28Å; C251-P289 PolarHBondContact SG-O 3.2Å; C251-P289 VanDerWaalsContact SG-O 3.33Å
252	I	98.9	Very high	98.2	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	139.3	172.2	-60.4	176.7	0	0	0	108.9	L165 I167 P249 V283 I288 P289 L290 L291	L165-I252 HydrophobicContact CB-CG1 4.26Å; L165-I252 HydrophobicContact CD2-CD1 4.37Å; L165-I252 HydrophobicContact CD2-CG1 4.32Å; L165-I252 CarbonylContact O-C 3.49Å; L165-I252 VanDerWaalsContact O-CA 3.27Å; L165-I252 WeakPolarHBondContact O-CA 3.33Å; I167-I252 HydrophobicContact CD1-CG2 3.91Å; I167-I252 HydrophobicContact CG1-CG2 4.26Å; P249-I252 HydrophobicContact CG-CG1 4.32Å; I252-V283 HydrophobicContact CD1-CG1 4.04Å; I252-V283 HydrophobicContact CG2-CG1 3.83Å; I252-I288 HydrophobicContact CD1-CB 4.14Å; I252-I288 HydrophobicContact CD1-CD1 4.16Å; I252-I288 HydrophobicContact CD1-CG2 4.36Å; I252-I288 HydrophobicContact CG1-CB 4.28Å; I252-I288 HydrophobicContact CG1-CG2 3.96Å; I252-P289 PolarHBondContact N-O 3.26Å; I252-L290 HydrophobicContact CB-CD1 3.8Å; I252-L290 HydrophobicContact CG2-CD1 3.67Å; I252-L290 WeakPolarHBondContact O-CA 3.44Å; I252-L291 PolarHBondContact O-N 3.26Å
253	V	99	Very high	98.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	121	163.7	-177.4	0	0	0	0	107.2	I150 I154 L157 V164 L165 Y166 I167 L291 L293	I150-V253 HydrophobicContact CG2-CG1 4.23Å; I154-V253 HydrophobicContact CD1-CG2 4.36Å; I154-V253 HydrophobicContact CG1-CB 4.45Å; I154-V253 HydrophobicContact CG1-CG2 3.75Å; L157-V253 HydrophobicContact CD1-CG2 3.47Å; L157-V253 VanDerWaalsContact CD1-CG2 3.47Å; V164-V253 HydrophobicContact CG1-CG2 3.91Å; L165-V253 PolarHBondContact O-N 3.13Å; Y166-V253 CarbonylContact C-O 3.55Å; Y166-V253 WeakPolarHBondContact CA-O 3.46Å; Y166-V253 HydrophobicContact CD2-CB 4.14Å; Y166-V253 HydrophobicContact CD2-CG1 4.06Å; Y166-V253 HydrophobicContact CE2-CG1 4.45Å; I167-V253 PolarHBondContact N-O 3.34Å; V253-L291 CarbonylContact C-O 3.57Å; V253-L291 WeakPolarHBondContact CA-O 3.4Å; V253-L291 HydrophobicContact CG1-CB 4.42Å; V253-L291 HydrophobicContact CG1-CD2 4.22Å; V253-L291 HydrophobicContact CG1-CG 4.39Å; V253-L291 HydrophobicContact CG2-CB 4.19Å; V253-L291 HydrophobicContact CG2-CD2 4.25Å; V253-L293 HydrophobicContact CG1-CD1 3.68Å; V253-L293 HydrophobicContact CG1-CG 4.37Å
254	L	99	Very high	98	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	111.4	-179.8	-179.8	63.9	0	0	0	109.2	I167 V280 V283 L290 L291 V292 L293	I167-L254 HydrophobicContact CB-CD1 3.74Å; I167-L254 HydrophobicContact CG2-CD1 3.68Å; I167-L254 WeakPolarHBondContact O-CA 3.4Å; L254-V280 HydrophobicContact CD2-CB 4.34Å; L254-V280 HydrophobicContact CD2-CG1 4.44Å; L254-V280 HydrophobicContact CD2-CG2 3.94Å; L254-V283 HydrophobicContact CD1-CG2 4.36Å; L254-V283 HydrophobicContact CD2-CB 4.16Å; L254-V283 HydrophobicContact CD2-CG1 4.21Å; L254-V283 HydrophobicContact CD2-CG2 4.4Å; L254-L290 HydrophobicContact CB-CD1 3.89Å; L254-L291 PolarHBondContact N-O 2.76Å; L254-V292 WeakPolarHBondContact O-CA 3.32Å; L254-L293 PolarHBondContact O-N 3.11Å
255	Q	98.9	Very high	97.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	123.3	171	-170.1	-79	8.2	0	0	107.7	G132 I150 Y166 I167 D168 I169 D170 G294	G132-Q255 PolarHBondContact O-NE2 2.9Å; I150-Q255 HydrophobicContact CD1-CG 4.21Å; Y166-Q255 HydrophobicContact CE2-CB 3.84Å; I167-Q255 PolarHBondContact O-N 2.89Å; D168-Q255 PolarHBondContact OD1-OE1 3.38Å; D168-Q255 VanDerWaalsContact OD1-OE1 3.06Å; I169-Q255 VanDerWaalsContact CG1-O 3.26Å; I169-Q255 WeakPolarHBondContact CG1-O 3.38Å; I169-Q255 PolarHBondContact N-O 3.21Å; D170-Q255 PolarHBondContact OD2-NE2 2.84Å; Q255-G294 WeakPolarHBondContact CG-O 3.48Å
256	C	98.9	Very high	97.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.126	C	C	.	.			trans	-112.1	53.6	-174.8	-63.1	0	0	0	0	111.7	W129 A258 L293 G294 W307	W129-C256 HydrophobicContact CZ3-CB 3.91Å; C256-A258 PolarHBondContact O-N 2.67Å; C256-A258 VanDerWaalsContact O-N 3.15Å; C256-L293 VanDerWaalsContact CB-O 3.27Å; C256-L293 WeakPolarHBondContact CB-O 3.43Å; C256-L293 PolarHBondContact N-O 3.1Å; C256-G294 PolarHBondContact N-O 3.39Å; C256-G294 VanDerWaalsContact N-O 3.11Å; C256-W307 PolarHBondContact O-NE1 3.02Å
257	G	98.7	Very high	97.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.117	C	C	.	.			trans	-56.2	115.5	173.4	0	0	0	0	0	112.3	D170 D259 S260 H276	D170-G257 WeakPolarHBondContact OD2-CA 3.08Å; G257-D259 VanDerWaalsContact C-N 3.28Å; G257-D259 PolarHBondContact O-N 3.18Å; G257-S260 PolarHBondContact O-OG 3.41Å; G257-H276 PolarHBondContact O-NE2 3.27Å
258	A	98.6	Very high	97.9	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.008	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-87.9	12.7	-172.7	0	0	0	0	0	113.6	C256 S260 L261 G296 V303 C306	C256-A258 PolarHBondContact O-N 2.67Å; C256-A258 VanDerWaalsContact O-N 3.15Å; A258-S260 VanDerWaalsContact C-N 3.31Å; A258-L261 HydrophobicContact CB-CD1 4.01Å; A258-L261 HydrophobicContact CB-CG 4.46Å; A258-L261 WeakPolarHBondContact O-CB 3.26Å; A258-L261 WeakPolarHBondContact O-CD1 3.49Å; A258-L261 VanDerWaalsContact O-CG 3.25Å; A258-L261 WeakPolarHBondContact O-CG 3.25Å; A258-L261 PolarHBondContact O-N 3.34Å; A258-G296 PolarHBondContact N-O 3.46Å; A258-V303 HydrophobicContact CB-CB 4.4Å; A258-V303 HydrophobicContact CB-CG1 4.22Å; A258-V303 HydrophobicContact CB-CG2 4.09Å; A258-C306 HydrophobicContact CB-CB 4.39Å
259	D	98.5	Very high	97.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-84.3	-3.6	172	50.7	11.7	0	0	0	113.5	D170 I171 H172 G257 L261 D264 G267 G296 Y298	D170-D259 VanDerWaalsContact CG-OD1 3.25Å; D170-D259 VanDerWaalsContact OD1-OD1 3.11Å; I171-D259 HydrophobicContact CG2-CB 4.01Å; I171-D259 VanDerWaalsContact CG2-CG 3.5Å; I171-D259 WeakPolarHBondContact CG2-OD1 3.3Å; I171-D259 PolarHBondContact N-OD1 2.87Å; H172-D259 IonicContact CE1-OD2 3.9Å; H172-D259 PolarHBondContact CE1-OD2 3.47Å; H172-D259 IonicContact ND1-OD2 3.63Å; H172-D259 PolarHBondContact ND1-OD2 3.39Å; H172-D259 VanDerWaalsContact ND1-OD2 3.1Å; G257-D259 VanDerWaalsContact C-N 3.28Å; G257-D259 PolarHBondContact O-N 3.18Å; D259-L261 PolarHBondContact O-N 3.01Å; D259-D264 HydrophobicContact CB-CB 4.42Å; D259-G267 WeakPolarHBondContact O-CA 3.38Å; D259-G296 WeakPolarHBondContact OD2-CA 3.42Å; D259-Y298 HydrophobicContact CB-CD2 3.97Å; D259-Y298 HydrophobicContact CB-CE2 3.78Å; D259-Y298 WeakPolarHBondContact OD2-CE2 3.35Å
260	S	98.1	Very high	97.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-74	-10.5	163.1	59.8	0	0	0	0	112.8	I169 G257 A258 F269 L271 H276	I169-S260 WeakPolarHBondContact O-CB 3.4Å; I169-S260 PolarHBondContact O-OG 2.97Å; G257-S260 PolarHBondContact O-OG 3.41Å; A258-S260 VanDerWaalsContact C-N 3.31Å; S260-F269 WeakPolarHBondContact O-CB 3.39Å; S260-L271 WeakPolarHBondContact O-CB 3.38Å; S260-L271 WeakPolarHBondContact O-CG 3.1Å; S260-L271 PolarHBondContact O-N 2.91Å; S260-H276 PolarHBondContact OG-CD2 2.67Å; S260-H276 PolarHBondContact OG-NE2 2.88Å; S260-H276 VanDerWaalsContact OG-NE2 3.14Å
261	L	98.5	Very high	97.9	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.01	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-68.1	147.3	175	-63.6	176.9	0	0	0	112.2	A258 D259 D264 L271 I273 H276 N302 C306	A258-L261 HydrophobicContact CB-CD1 4.01Å; A258-L261 HydrophobicContact CB-CG 4.46Å; A258-L261 WeakPolarHBondContact O-CB 3.26Å; A258-L261 WeakPolarHBondContact O-CD1 3.49Å; A258-L261 VanDerWaalsContact O-CG 3.25Å; A258-L261 WeakPolarHBondContact O-CG 3.25Å; A258-L261 PolarHBondContact O-N 3.34Å; D259-L261 PolarHBondContact O-N 3.01Å; L261-D264 WeakPolarHBondContact O-CB 3.08Å; L261-D264 PolarHBondContact O-N 3.42Å; L261-L271 CarbonylContact C-O 3.56Å; L261-L271 WeakPolarHBondContact CA-O 3.46Å; L261-L271 HydrophobicContact CD2-CB 4.46Å; L261-I273 HydrophobicContact CD1-CG1 4.13Å; L261-I273 HydrophobicContact CD2-CG1 4.2Å; L261-H276 HydrophobicContact CD2-CB 3.83Å; L261-N302 HydrophobicContact CD1-CB 4.3Å; L261-C306 HydrophobicContact CD1-CB 3.8Å
262	G	97.7	Very high	97.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	149.8	165.9	0	0	0	0	0	112.1	D264 F269 L271 V342	G262-D264 PolarHBondContact O-N 2.92Å; G262-D264 VanDerWaalsContact O-N 3.17Å; G262-F269 WeakPolarHBondContact CA-O 3.48Å; G262-L271 PolarHBondContact N-O 3.2Å; G262-V342 CarbonylContact C-O 3.58Å; G262-V342 VanDerWaalsContact CA-O 3.25Å; G262-V342 WeakPolarHBondContact CA-O 3.38Å
263	C	95.5	Very high	97.9	Very high	67 Å²	67	19 Å²	19	45%	0.453	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	18.8	-176.2	-66.3	0	0	0	0	114.8	T299	C263-T299 PolarHBondContact O-OG1 3.2Å
264	D	97.7	Very high	97.8	Very high	18 Å²	18	23.9 Å²	23.9	10%	0.096	12%	0.12	C	C	.	.			trans	-65	154.8	163.2	-173	67.3	0	0	0	111.1	D259 L261 G262 L266 G267 Y298 T299	D259-D264 HydrophobicContact CB-CB 4.42Å; L261-D264 WeakPolarHBondContact O-CB 3.08Å; L261-D264 PolarHBondContact O-N 3.42Å; G262-D264 PolarHBondContact O-N 2.92Å; G262-D264 VanDerWaalsContact O-N 3.17Å; D264-L266 PolarHBondContact OD2-N 3.21Å; D264-G267 PolarHBondContact OD2-N 3.42Å; D264-Y298 PolarHBondContact OD1-N 2.94Å; D264-Y298 WeakPolarHBondContact OD2-CD2 3.4Å; D264-T299 PolarHBondContact OD1-N 3.47Å
265	R	96	Very high	97.8	Very high	142 Å²	142	24.1 Å²	24.1	54%	0.536	12%	0.123	S	C	.	.	S	Bend	trans	-78.8	-28.7	-176.6	-65.2	175.3	62.8	-160	-5.1	113.7	Y298	R265-Y298 WeakPolarHBondContact CD-O 3.42Å
266	L	96.1	Very high	97.8	Very high	70 Å²	70	24.1 Å²	24.1	37%	0.366	12%	0.123	S	C	.	.	S	Bend	trans	-116	-28.2	-177.4	-56.9	-172.2	0	0	0	111.9	P23 F144 D264 Y298	P23-L266 HydrophobicContact CB-CD1 3.99Å; P23-L266 HydrophobicContact CB-CD2 4.49Å; P23-L266 HydrophobicContact CB-CG 4.33Å; P23-L266 HydrophobicContact CG-CD1 3.84Å; F144-L266 HydrophobicContact CE2-CD1 3.67Å; F144-L266 HydrophobicContact CZ-CD1 3.87Å; D264-L266 PolarHBondContact OD2-N 3.21Å; L266-Y298 HydrophobicContact CB-CD2 3.65Å; L266-Y298 HydrophobicContact CB-CE2 3.88Å; L266-Y298 HydrophobicContact CD1-CD1 4.22Å; L266-Y298 HydrophobicContact CD1-CD2 3.61Å; L266-Y298 HydrophobicContact CD1-CE1 4.17Å; L266-Y298 HydrophobicContact CD1-CE2 3.57Å; L266-Y298 HydrophobicContact CD1-CG 3.94Å; L266-Y298 HydrophobicContact CG-CD2 3.58Å; L266-Y298 HydrophobicContact CG-CE2 3.99Å; L266-Y298 HydrophobicContact CG-CG 3.99Å
267	G	96.2	Very high	97.8	Very high	12 Å²	12	24.1 Å²	24.1	12%	0.124	12%	0.123	C	C	.	.			trans	-77.9	157.5	174.8	0	0	0	0	0	114	D259 D264	D259-G267 WeakPolarHBondContact O-CA 3.38Å; D264-G267 PolarHBondContact OD2-N 3.42Å
268	C	96.5	Very high	97.8	Very high	23 Å²	23	26.7 Å²	26.7	16%	0.155	14%	0.135	C	C	.	.			trans	-136.8	25.7	179.7	56.3	0	0	0	0	112.9	K194 D225 G226 I346	K194-C268 WeakPolarHBondContact CD-SG 3.3Å; K194-C268 VanDerWaalsContact CE-SG 3.53Å; D225-C268 PolarHBondContact OD1-SG 3.18Å; G226-C268 PolarHBondContact N-O 3.05Å; C268-I346 HydrophobicContact CB-CD1 3.83Å
269	F	98.2	Very high	97.8	Very high	1 Å²	1	26.9 Å²	26.9	0%	0.004	14%	0.136	C	C	.	.			trans	-85.7	171	165.3	-74.7	0.3	0	0	0	110.7	I171 K194 L223 R224 I227 S260 G262	I171-F269 HydrophobicContact CB-CD2 4.37Å; I171-F269 HydrophobicContact CB-CE2 4.37Å; I171-F269 HydrophobicContact CD1-CB 4.13Å; I171-F269 HydrophobicContact CD1-CD1 3.6Å; I171-F269 HydrophobicContact CD1-CD2 4.07Å; I171-F269 HydrophobicContact CD1-CE1 3.96Å; I171-F269 HydrophobicContact CD1-CE2 4.38Å; I171-F269 HydrophobicContact CD1-CG 3.65Å; I171-F269 HydrophobicContact CD1-CZ 4.31Å; I171-F269 HydrophobicContact CG1-CD1 3.96Å; I171-F269 HydrophobicContact CG1-CD2 3.82Å; I171-F269 HydrophobicContact CG1-CE1 3.89Å; I171-F269 HydrophobicContact CG1-CE2 3.73Å; I171-F269 HydrophobicContact CG1-CG 3.92Å; I171-F269 HydrophobicContact CG1-CZ 3.74Å; K194-F269 HydrophobicContact CB-CE1 3.69Å; K194-F269 HydrophobicContact CB-CZ 3.87Å; K194-F269 HydrophobicContact CG-CE1 4.41Å; L223-F269 HydrophobicContact CB-CE1 4.05Å; L223-F269 HydrophobicContact CB-CE2 4.48Å; L223-F269 HydrophobicContact CB-CZ 3.61Å; L223-F269 HydrophobicContact CD1-CE2 3.91Å; L223-F269 HydrophobicContact CD1-CZ 3.87Å; L223-F269 HydrophobicContact CG-CZ 4.35Å; R224-F269 WeakPolarHBondContact O-CE1 3.39Å; I227-F269 HydrophobicContact CG2-CB 3.99Å; I227-F269 HydrophobicContact CG2-CD1 3.73Å; I227-F269 HydrophobicContact CG2-CD2 3.6Å; I227-F269 HydrophobicContact CG2-CE1 4.06Å; I227-F269 HydrophobicContact CG2-CE2 3.97Å; I227-F269 HydrophobicContact CG2-CG 3.49Å; I227-F269 VanDerWaalsContact CG2-CG 3.49Å; I227-F269 HydrophobicContact CG2-CZ 4.19Å; S260-F269 WeakPolarHBondContact O-CB 3.39Å; G262-F269 WeakPolarHBondContact CA-O 3.48Å
270	N	97.9	Very high	97.8	Very high	30 Å²	30	26.9 Å²	26.9	16%	0.16	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-121.8	31	-178.2	-73.9	-31.8	0	0	0	111.7	G226 I227 T344 I346	G226-N270 WeakPolarHBondContact CA-ND2 3.36Å; G226-N270 PolarHBondContact O-ND2 2.98Å; I227-N270 CarbonylContact O-C 3.54Å; I227-N270 WeakPolarHBondContact O-CA 3.24Å; I227-N270 WeakPolarHBondContact O-CB 3.41Å; I227-N270 PolarHBondContact O-N 3.15Å; N270-T344 WeakPolarHBondContact OD1-CB 3.38Å; N270-T344 WeakPolarHBondContact OD1-CG2 3.3Å; N270-T344 PolarHBondContact OD1-OG1 3.15Å; N270-I346 PolarHBondContact ND2-O 3.2Å
271	L	98.5	Very high	97.8	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-70	137.2	177	-57.7	-170.8	0	0	0	110.3	I227 D229 Y232 S260 L261 G262 V342	I227-L271 HydrophobicContact CG2-CD2 4.47Å; D229-L271 VanDerWaalsContact OD1-CA 3.3Å; D229-L271 WeakPolarHBondContact OD1-CA 3.24Å; Y232-L271 HydrophobicContact CD1-CD1 4.43Å; Y232-L271 HydrophobicContact CD2-CD1 3.94Å; Y232-L271 HydrophobicContact CD2-CD2 3.9Å; Y232-L271 HydrophobicContact CD2-CG 4.42Å; Y232-L271 HydrophobicContact CE1-CD1 4.49Å; Y232-L271 HydrophobicContact CE2-CD1 3.99Å; Y232-L271 HydrophobicContact CG-CD1 4.16Å; Y232-L271 HydrophobicContact CG-CD2 3.82Å; S260-L271 WeakPolarHBondContact O-CB 3.38Å; S260-L271 WeakPolarHBondContact O-CG 3.1Å; S260-L271 PolarHBondContact O-N 2.91Å; L261-L271 CarbonylContact C-O 3.56Å; L261-L271 WeakPolarHBondContact CA-O 3.46Å; L261-L271 HydrophobicContact CD2-CB 4.46Å; G262-L271 PolarHBondContact N-O 3.2Å; L271-V342 WeakPolarHBondContact O-CG2 3.24Å
272	S	98.3	Very high	97.8	Very high	29 Å²	29	33.9 Å²	33.9	20%	0.203	17%	0.167	C	C	.	.			trans	-81.2	164	164.8	79.4	0	0	0	0	110.3	D229 R274 G275 H276	D229-S272 PolarHBondContact OD1-N 3.29Å; D229-S272 VanDerWaalsContact OD2-CB 3.25Å; D229-S272 WeakPolarHBondContact OD2-CB 3.46Å; D229-S272 PolarHBondContact OD2-OG 2.67Å; S272-R274 PolarHBondContact O-N 2.97Å; S272-R274 PolarHBondContact OG-N 3.47Å; S272-G275 PolarHBondContact O-N 3.48Å; S272-G275 VanDerWaalsContact O-N 3.14Å; S272-G275 PolarHBondContact OG-N 3.47Å; S272-H276 WeakPolarHBondContact O-CB 3.48Å; S272-H276 PolarHBondContact O-N 3.42Å
273	I	98.5	Very high	97.9	Very high	3 Å²	3	34 Å²	34	2%	0.015	17%	0.168	C	C	.	.	H	α-helix	trans	-57.2	-33.3	171.2	-71.9	155.3	0	0	0	110.9	L261 G277 R305 C306 Y309 L338 H339 P340	L261-I273 HydrophobicContact CD1-CG1 4.13Å; L261-I273 HydrophobicContact CD2-CG1 4.2Å; I273-G277 PolarHBondContact O-N 2.89Å; I273-R305 HydrophobicContact CD1-CB 3.58Å; I273-R305 HydrophobicContact CD1-CG 4.49Å; I273-C306 HydrophobicContact CG1-CB 4.08Å; I273-C306 HydrophobicContact CG2-CB 4.43Å; I273-Y309 HydrophobicContact CG2-CD1 3.75Å; I273-Y309 HydrophobicContact CG2-CG 4.04Å; I273-L338 WeakPolarHBondContact CD1-O 3.46Å; I273-H339 VanDerWaalsContact CG2-CD2 3.49Å; I273-H339 WeakPolarHBondContact CG2-CD2 3.47Å; I273-P340 HydrophobicContact CD1-CG 4.31Å
274	R	98.2	Very high	98	Very high	102 Å²	102	31.5 Å²	31.5	39%	0.385	15%	0.149	S	C	.	.	H	α-helix	trans	-68	-48.9	174.9	-63.1	-170.6	-173.7	-77.9	1	111.4	S272 H276 G277 E278 E321 H339	S272-R274 PolarHBondContact O-N 2.97Å; S272-R274 PolarHBondContact OG-N 3.47Å; R274-H276 VanDerWaalsContact C-N 3.3Å; R274-H276 PolarHBondContact O-N 2.9Å; R274-G277 CarbonylContact O-C 3.58Å; R274-G277 PolarHBondContact O-N 3.25Å; R274-E278 WeakPolarHBondContact O-CG 3.41Å; R274-E278 PolarHBondContact O-N 3.46Å; R274-E321 IonicContact CZ-OE1 3.18Å; R274-E321 IonicContact NH1-OE1 3.68Å; R274-E321 IonicContact NH2-OE1 2.77Å; R274-E321 PolarHBondContact NH2-OE1 3.24Å; R274-E321 IonicContact NH2-OE2 2.61Å; R274-E321 PolarHBondContact NH2-OE2 3.02Å; R274-H339 WeakPolarHBondContact CG-CD2 3.43Å; R274-H339 PolarHBondContact NH2-ND1 3.18Å
275	G	98.2	Very high	98	Very high	5 Å²	5	33.8 Å²	33.8	5%	0.052	17%	0.167	C	C	.	.	H	α-helix	trans	-61.2	-38.5	179.3	0	0	0	0	0	113	D229 S272 E278	D229-G275 WeakPolarHBondContact OD1-CA 3.14Å; S272-G275 PolarHBondContact O-N 3.48Å; S272-G275 VanDerWaalsContact O-N 3.14Å; S272-G275 PolarHBondContact OG-N 3.47Å; G275-E278 PolarHBondContact O-N 3.02Å
276	H	98.7	Very high	98.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63.4	-49.9	172.4	-159	-79.8	0	0	0	111.2	I169 G257 S260 L261 S272 R274 E278 C279 E310	I169-H276 WeakPolarHBondContact CD1-CE1 3.43Å; G257-H276 PolarHBondContact O-NE2 3.27Å; S260-H276 PolarHBondContact OG-CD2 2.67Å; S260-H276 PolarHBondContact OG-NE2 2.88Å; S260-H276 VanDerWaalsContact OG-NE2 3.14Å; L261-H276 HydrophobicContact CD2-CB 3.83Å; S272-H276 WeakPolarHBondContact O-CB 3.48Å; S272-H276 PolarHBondContact O-N 3.42Å; R274-H276 VanDerWaalsContact C-N 3.3Å; R274-H276 PolarHBondContact O-N 2.9Å; H276-E278 VanDerWaalsContact C-N 3.29Å; H276-E278 PolarHBondContact O-N 3.48Å; H276-C279 VanDerWaalsContact O-CB 3.23Å; H276-C279 WeakPolarHBondContact O-CB 3.19Å; H276-C279 PolarHBondContact O-N 2.96Å; H276-E310 IonicContact CE1-OE1 2.8Å; H276-E310 PolarHBondContact CE1-OE1 3.11Å; H276-E310 VanDerWaalsContact CE1-OE1 3.29Å; H276-E310 IonicContact CG-OE1 2.86Å; H276-E310 IonicContact ND1-OE1 3.26Å; H276-E310 PolarHBondContact ND1-OE1 2.92Å
277	G	98.7	Very high	98.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.3	-29.6	176.7	0	0	0	0	0	114.5	I273 R274 C279 V280 E281 L313	I273-G277 PolarHBondContact O-N 2.89Å; R274-G277 CarbonylContact O-C 3.58Å; R274-G277 PolarHBondContact O-N 3.25Å; G277-C279 PolarHBondContact O-N 2.87Å; G277-V280 WeakPolarHBondContact O-CB 3.46Å; G277-V280 PolarHBondContact O-N 3.09Å; G277-V280 VanDerWaalsContact O-N 3.1Å; G277-E281 PolarHBondContact O-N 3.34Å; G277-L313 VanDerWaalsContact O-CD1 3.26Å; G277-L313 WeakPolarHBondContact O-CD1 3.49Å
278	E	98.5	Very high	98.3	Very high	55 Å²	55	32.3 Å²	32.3	26%	0.257	17%	0.165	S	C	.	.	H	α-helix	trans	-59.7	-29.9	173.2	-74.7	-168.3	169.4	0	0	112.1	K233 R274 G275 H276 Y282	K233-E278 WeakPolarHBondContact CD-OE2 3.45Å; K233-E278 VanDerWaalsContact CE-OE2 3.25Å; K233-E278 WeakPolarHBondContact CE-OE2 3.41Å; K233-E278 IonicContact NZ-OE1 3.96Å; K233-E278 PolarHBondContact NZ-OE1 3.36Å; K233-E278 IonicContact NZ-OE2 3.73Å; K233-E278 PolarHBondContact NZ-OE2 3.36Å; R274-E278 WeakPolarHBondContact O-CG 3.41Å; R274-E278 PolarHBondContact O-N 3.46Å; G275-E278 PolarHBondContact O-N 3.02Å; H276-E278 VanDerWaalsContact C-N 3.29Å; H276-E278 PolarHBondContact O-N 3.48Å; E278-Y282 WeakPolarHBondContact O-CB 3.31Å; E278-Y282 PolarHBondContact O-N 2.81Å
279	C	98.8	Very high	98.4	Very high	4 Å²	4	33.1 Å²	33.1	3%	0.027	17%	0.17	C	C	.	.	H	α-helix	trans	-67.8	-45.2	175.2	-57	0	0	0	0	110.6	I169 Y232 F236 H276 G277 Y282 V283	I169-C279 HydrophobicContact CD1-CB 3.95Å; I169-C279 HydrophobicContact CG2-CB 4.44Å; Y232-C279 WeakPolarHBondContact CE1-SG 3.35Å; F236-C279 HydrophobicContact CD1-CB 4.27Å; F236-C279 HydrophobicContact CE1-CB 3.73Å; F236-C279 HydrophobicContact CE2-CB 4.19Å; F236-C279 HydrophobicContact CZ-CB 3.69Å; H276-C279 VanDerWaalsContact O-CB 3.23Å; H276-C279 WeakPolarHBondContact O-CB 3.19Å; H276-C279 PolarHBondContact O-N 2.96Å; G277-C279 PolarHBondContact O-N 2.87Å; C279-Y282 PolarHBondContact O-N 2.97Å; C279-V283 WeakPolarHBondContact O-CG2 3.19Å; C279-V283 PolarHBondContact O-N 3.17Å
280	V	98.9	Very high	98.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.4	-48.3	176.2	179.9	0	0	0	0	111.2	L254 G277 Y282 V283 K284 E310 L314	L254-V280 HydrophobicContact CD2-CB 4.34Å; L254-V280 HydrophobicContact CD2-CG1 4.44Å; L254-V280 HydrophobicContact CD2-CG2 3.94Å; G277-V280 WeakPolarHBondContact O-CB 3.46Å; G277-V280 PolarHBondContact O-N 3.09Å; G277-V280 VanDerWaalsContact O-N 3.1Å; V280-Y282 VanDerWaalsContact C-N 3.31Å; V280-Y282 PolarHBondContact O-N 2.68Å; V280-V283 PolarHBondContact O-N 3.36Å; V280-K284 VanDerWaalsContact O-CB 3.23Å; V280-K284 WeakPolarHBondContact O-CB 3.34Å; V280-K284 PolarHBondContact O-N 2.87Å; V280-E310 HydrophobicContact CB-CG 4.37Å; V280-E310 HydrophobicContact CG1-CB 4.49Å; V280-E310 HydrophobicContact CG2-CB 4.28Å; V280-E310 VanDerWaalsContact CG2-CD 3.49Å; V280-E310 HydrophobicContact CG2-CG 3.76Å; V280-E310 WeakPolarHBondContact CG2-OE1 3.39Å; V280-L314 HydrophobicContact CG1-CD1 4.2Å; V280-L314 HydrophobicContact CG1-CD2 3.68Å; V280-L314 HydrophobicContact CG1-CG 3.81Å
281	E	98.6	Very high	98.5	Very high	109 Å²	109	31.8 Å²	31.8	51%	0.509	16%	0.163	S	C	.	.	H	α-helix	trans	-58.9	-43.8	177.7	-174.6	177.6	-131.5	0	0	111.4	G277 K284 S285 L313	G277-E281 PolarHBondContact O-N 3.34Å; E281-K284 PolarHBondContact O-N 3.48Å; E281-S285 PolarHBondContact O-N 3.02Å; E281-S285 VanDerWaalsContact O-N 3.08Å; E281-L313 HydrophobicContact CB-CD1 4.38Å
282	Y	98.8	Very high	98.6	Very high	40 Å²	40	31.8 Å²	31.8	16%	0.157	16%	0.162	C	C	.	.	H	α-helix	trans	-64.7	-47.8	178.9	-172	-108.9	0	0	0	112.4	F236 Q237 I240 N241 E278 C279 V280 K284 S285 F286	F236-Y282 HydrophobicContact CD1-CD1 4.21Å; F236-Y282 AromaticContact CE1-CD1 3.97Å; F236-Y282 HydrophobicContact CE1-CD1 3.97Å; Q237-Y282 HydrophobicContact CB-CD1 4.29Å; Q237-Y282 HydrophobicContact CB-CD2 4.4Å; Q237-Y282 HydrophobicContact CB-CE1 3.84Å; Q237-Y282 HydrophobicContact CB-CE2 3.96Å; Q237-Y282 HydrophobicContact CG-CD1 3.95Å; Q237-Y282 HydrophobicContact CG-CD2 3.8Å; Q237-Y282 HydrophobicContact CG-CE1 4Å; Q237-Y282 HydrophobicContact CG-CE2 3.86Å; Q237-Y282 HydrophobicContact CG-CG 3.83Å; Q237-Y282 WeakPolarHBondContact O-CE1 3.18Å; Q237-Y282 PolarHBondContact O-OH 3.31Å; I240-Y282 HydrophobicContact CB-CD1 4.46Å; I240-Y282 HydrophobicContact CB-CE1 4.08Å; I240-Y282 HydrophobicContact CG2-CD1 4.33Å; I240-Y282 HydrophobicContact CG2-CE1 4.11Å; N241-Y282 WeakPolarHBondContact CB-OH 3.41Å; E278-Y282 WeakPolarHBondContact O-CB 3.31Å; E278-Y282 PolarHBondContact O-N 2.81Å; C279-Y282 PolarHBondContact O-N 2.97Å; V280-Y282 VanDerWaalsContact C-N 3.31Å; V280-Y282 PolarHBondContact O-N 2.68Å; Y282-K284 VanDerWaalsContact C-N 3.31Å; Y282-K284 PolarHBondContact O-N 3.47Å; Y282-S285 WeakPolarHBondContact O-CB 3.42Å; Y282-S285 PolarHBondContact O-N 3.06Å; Y282-S285 VanDerWaalsContact O-N 3.14Å; Y282-S285 PolarHBondContact O-OG 2.86Å; Y282-F286 AromaticContact CD1-CE2 3.94Å; Y282-F286 HydrophobicContact CD1-CE2 3.94Å; Y282-F286 HydrophobicContact CD1-CZ 4.36Å; Y282-F286 AromaticContact CE1-CE2 3.7Å; Y282-F286 HydrophobicContact CE1-CE2 3.7Å; Y282-F286 AromaticContact CE1-CZ 3.66Å; Y282-F286 HydrophobicContact CE1-CZ 3.66Å; Y282-F286 AromaticContact CZ-CZ 3.88Å
283	V	98.9	Very high	98.6	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.018	15%	0.153	C	C	.	.	H	α-helix	trans	-61.8	-41.9	177.4	170.8	0	0	0	0	111	I167 F236 I240 I252 L254 C279 V280 S285 F286 L290	I167-V283 HydrophobicContact CD1-CG1 4.17Å; I167-V283 HydrophobicContact CD1-CG2 3.66Å; F236-V283 HydrophobicContact CE1-CG2 4.14Å; F236-V283 HydrophobicContact CZ-CG2 3.87Å; I240-V283 HydrophobicContact CG2-CG2 4.46Å; I252-V283 HydrophobicContact CD1-CG1 4.04Å; I252-V283 HydrophobicContact CG2-CG1 3.83Å; L254-V283 HydrophobicContact CD1-CG2 4.36Å; L254-V283 HydrophobicContact CD2-CB 4.16Å; L254-V283 HydrophobicContact CD2-CG1 4.21Å; L254-V283 HydrophobicContact CD2-CG2 4.4Å; C279-V283 WeakPolarHBondContact O-CG2 3.19Å; C279-V283 PolarHBondContact O-N 3.17Å; V280-V283 PolarHBondContact O-N 3.36Å; V283-S285 PolarHBondContact O-N 3.41Å; V283-F286 WeakPolarHBondContact O-CD2 3.4Å; V283-F286 PolarHBondContact O-N 3.32Å; V283-L290 HydrophobicContact CG1-CD1 3.87Å; V283-L290 HydrophobicContact CG1-CD2 4.46Å
284	K	98.4	Very high	98.6	Very high	14 Å²	14	30.2 Å²	30.2	6%	0.061	15%	0.152	C	C	.	.	H	α-helix	trans	-59.8	-33.2	176.7	-171.9	-163.5	-178.2	-162.9	0	112.6	K3 I125 V280 E281 Y282 F286 N287 L313 L314 E316	K3-K284 PolarHBondContact NZ-O 3.26Å; I125-K284 HydrophobicContact CD1-CD 4.38Å; I125-K284 HydrophobicContact CD1-CG 4.07Å; V280-K284 VanDerWaalsContact O-CB 3.23Å; V280-K284 WeakPolarHBondContact O-CB 3.34Å; V280-K284 PolarHBondContact O-N 2.87Å; E281-K284 PolarHBondContact O-N 3.48Å; Y282-K284 VanDerWaalsContact C-N 3.31Å; Y282-K284 PolarHBondContact O-N 3.47Å; K284-F286 PolarHBondContact O-N 3.18Å; K284-N287 PolarHBondContact O-N 3.33Å; K284-L313 PolarHBondContact NZ-O 3.22Å; K284-L314 HydrophobicContact CD-CD2 4.38Å; K284-L314 WeakPolarHBondContact CE-O 3.18Å; K284-L314 HydrophobicContact CG-CD2 4.49Å; K284-L314 PolarHBondContact NZ-O 3.06Å; K284-E316 VanDerWaalsContact NZ-CD 3.33Å; K284-E316 IonicContact NZ-OE1 2.8Å; K284-E316 PolarHBondContact NZ-OE1 3.38Å
285	S	98.2	Very high	98.6	Very high	67 Å²	67	25.5 Å²	25.5	47%	0.469	14%	0.135	S	C	.	.	H	α-helix	trans	-63.6	-22	-176.8	81.9	0	0	0	0	114.3	E281 Y282 V283 N287	E281-S285 PolarHBondContact O-N 3.02Å; E281-S285 VanDerWaalsContact O-N 3.08Å; Y282-S285 WeakPolarHBondContact O-CB 3.42Å; Y282-S285 PolarHBondContact O-N 3.06Å; Y282-S285 VanDerWaalsContact O-N 3.14Å; Y282-S285 PolarHBondContact O-OG 2.86Å; V283-S285 PolarHBondContact O-N 3.41Å; S285-N287 PolarHBondContact O-N 3.37Å; S285-N287 PolarHBondContact O-ND2 3.3Å
286	F	98.4	Very high	98.6	Very high	45 Å²	45	25.4 Å²	25.4	20%	0.197	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-13.4	176.6	-67.9	-72.9	0	0	0	113.6	I240 V244 Y282 V283 K284 I288	I240-F286 HydrophobicContact CG2-CE2 3.63Å; I240-F286 HydrophobicContact CG2-CZ 4.07Å; V244-F286 HydrophobicContact CB-CD1 4.18Å; V244-F286 HydrophobicContact CB-CE1 4.01Å; V244-F286 HydrophobicContact CB-CZ 4.41Å; V244-F286 HydrophobicContact CG1-CD1 3.73Å; V244-F286 HydrophobicContact CG1-CE1 4.02Å; V244-F286 HydrophobicContact CG1-CG 4.31Å; V244-F286 HydrophobicContact CG2-CD1 4.15Å; V244-F286 HydrophobicContact CG2-CD2 4.21Å; V244-F286 HydrophobicContact CG2-CE1 4.09Å; V244-F286 HydrophobicContact CG2-CE2 4.18Å; V244-F286 HydrophobicContact CG2-CG 4.22Å; V244-F286 HydrophobicContact CG2-CZ 4.11Å; Y282-F286 AromaticContact CD1-CE2 3.94Å; Y282-F286 HydrophobicContact CD1-CE2 3.94Å; Y282-F286 HydrophobicContact CD1-CZ 4.36Å; Y282-F286 AromaticContact CE1-CE2 3.7Å; Y282-F286 HydrophobicContact CE1-CE2 3.7Å; Y282-F286 AromaticContact CE1-CZ 3.66Å; Y282-F286 HydrophobicContact CE1-CZ 3.66Å; Y282-F286 AromaticContact CZ-CZ 3.88Å; V283-F286 WeakPolarHBondContact O-CD2 3.4Å; V283-F286 PolarHBondContact O-N 3.32Å; K284-F286 PolarHBondContact O-N 3.18Å; F286-I288 HydrophobicContact CB-CD1 4.07Å; F286-I288 HydrophobicContact CB-CG1 4.17Å; F286-I288 PolarHBondContact O-N 3.42Å
287	N	97.6	Very high	98.6	Very high	117 Å²	117	25.5 Å²	25.5	63%	0.626	14%	0.135	S	C	*	.			trans	58.1	35.6	179.7	-58.3	-57.2	0	0	0	114.3	K3 K284 S285	K3-N287 WeakPolarHBondContact CE-OD1 3.36Å; K3-N287 PolarHBondContact NZ-OD1 3.44Å; K284-N287 PolarHBondContact O-N 3.33Å; S285-N287 PolarHBondContact O-N 3.37Å; S285-N287 PolarHBondContact O-ND2 3.3Å
288	I	98.5	Very high	98.5	Very high	31 Å²	31	26 Å²	26	16%	0.159	14%	0.137	C	C	.	.			trans	-101	141.7	173	-60.2	174.2	0	0	0	107.7	V244 P249 I252 F286 L290	V244-I288 HydrophobicContact CG1-CD1 4.15Å; P249-I288 HydrophobicContact CG-CD1 4.02Å; I252-I288 HydrophobicContact CD1-CB 4.14Å; I252-I288 HydrophobicContact CD1-CD1 4.16Å; I252-I288 HydrophobicContact CD1-CG2 4.36Å; I252-I288 HydrophobicContact CG1-CB 4.28Å; I252-I288 HydrophobicContact CG1-CG2 3.96Å; F286-I288 HydrophobicContact CB-CD1 4.07Å; F286-I288 HydrophobicContact CB-CG1 4.17Å; F286-I288 PolarHBondContact O-N 3.42Å; I288-L290 PolarHBondContact O-N 2.86Å
289	P	98.7	Very high	98.5	Very high	40 Å²	40	24.3 Å²	24.3	26%	0.26	13%	0.13	S	C	.	.			trans	-47.8	133.5	173.3	-29.4	35.9	0	0	0	111.6	L118 D124 T250 C251 I252	L118-P289 HydrophobicContact CD2-CB 4.16Å; D124-P289 WeakPolarHBondContact O-CA 3.26Å; T250-P289 WeakPolarHBondContact O-CD 3.15Å; C251-P289 WeakPolarHBondContact CA-O 3.28Å; C251-P289 PolarHBondContact SG-O 3.2Å; C251-P289 VanDerWaalsContact SG-O 3.33Å; I252-P289 PolarHBondContact N-O 3.26Å
290	L	98.9	Very high	98.4	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	119.4	-165.5	-179.3	63.7	0	0	0	111.9	D124 I125 A126 I252 L254 V283 I288 V292 L314	D124-L290 PolarHBondContact O-N 2.93Å; I125-L290 CarbonylContact C-O 3.38Å; I125-L290 VanDerWaalsContact CA-O 3.25Å; I125-L290 WeakPolarHBondContact CA-O 3.12Å; I125-L290 HydrophobicContact CG1-CB 4.32Å; A126-L290 PolarHBondContact N-O 3.22Å; I252-L290 HydrophobicContact CB-CD1 3.8Å; I252-L290 HydrophobicContact CG2-CD1 3.67Å; I252-L290 WeakPolarHBondContact O-CA 3.44Å; L254-L290 HydrophobicContact CB-CD1 3.89Å; V283-L290 HydrophobicContact CG1-CD1 3.87Å; V283-L290 HydrophobicContact CG1-CD2 4.46Å; I288-L290 PolarHBondContact O-N 2.86Å; L290-V292 HydrophobicContact CD1-CG2 4.35Å; L290-V292 HydrophobicContact CD2-CG2 3.63Å; L290-V292 HydrophobicContact CG-CG2 3.61Å; L290-L314 HydrophobicContact CD2-CD2 3.98Å
291	L	98.9	Very high	98.3	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	116.7	164.5	179.5	60.9	0	0	0	108.5	L118 A126 I252 V253 L254 L293	L118-L291 HydrophobicContact CD1-CB 3.76Å; A126-L291 HydrophobicContact CB-CD1 3.77Å; A126-L291 CarbonylContact O-C 3.53Å; A126-L291 WeakPolarHBondContact O-CA 3.49Å; I252-L291 PolarHBondContact O-N 3.26Å; V253-L291 CarbonylContact C-O 3.57Å; V253-L291 WeakPolarHBondContact CA-O 3.4Å; V253-L291 HydrophobicContact CG1-CB 4.42Å; V253-L291 HydrophobicContact CG1-CD2 4.22Å; V253-L291 HydrophobicContact CG1-CG 4.39Å; V253-L291 HydrophobicContact CG2-CB 4.19Å; V253-L291 HydrophobicContact CG2-CD2 4.25Å; L254-L291 PolarHBondContact N-O 2.76Å; L291-L293 HydrophobicContact CD1-CD2 4.02Å; L291-L293 HydrophobicContact CD2-CD1 4.41Å; L291-L293 HydrophobicContact CD2-CD2 4.26Å; L291-L293 HydrophobicContact CG-CD2 3.92Å; L291-L293 HydrophobicContact CG-CG 4.11Å
292	V	99	Very high	98.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	128	177.6	-171.6	0	0	0	0	109	I125 A126 I127 N128 W129 L254 L290 L314	I125-V292 HydrophobicContact CG2-CG2 4.18Å; A126-V292 PolarHBondContact O-N 3.07Å; I127-V292 WeakPolarHBondContact CA-O 3.32Å; I127-V292 HydrophobicContact CG1-CB 4.46Å; N128-V292 PolarHBondContact N-O 2.8Å; W129-V292 HydrophobicContact CH2-CG1 3.6Å; W129-V292 HydrophobicContact CZ3-CG1 3.66Å; L254-V292 WeakPolarHBondContact O-CA 3.32Å; L290-V292 HydrophobicContact CD1-CG2 4.35Å; L290-V292 HydrophobicContact CD2-CG2 3.63Å; L290-V292 HydrophobicContact CG-CG2 3.61Å; V292-L314 HydrophobicContact CB-CD1 4.22Å; V292-L314 HydrophobicContact CG1-CD1 4.09Å; V292-L314 HydrophobicContact CG2-CD1 3.86Å; V292-L314 HydrophobicContact CG2-CD2 3.88Å
293	L	98.9	Very high	98.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	159.2	-175.9	-58.8	175.8	0	0	0	110.3	S111 N128 I150 V253 L254 C256 L291	S111-L293 VanDerWaalsContact OG-CD2 3.3Å; S111-L293 WeakPolarHBondContact OG-CD2 3.3Å; N128-L293 HydrophobicContact CB-CD2 3.94Å; N128-L293 WeakPolarHBondContact O-CA 3.34Å; I150-L293 HydrophobicContact CB-CD1 4.3Å; I150-L293 HydrophobicContact CG1-CD1 3.47Å; I150-L293 VanDerWaalsContact CG1-CD1 3.47Å; V253-L293 HydrophobicContact CG1-CD1 3.68Å; V253-L293 HydrophobicContact CG1-CG 4.37Å; L254-L293 PolarHBondContact O-N 3.11Å; C256-L293 VanDerWaalsContact CB-O 3.27Å; C256-L293 WeakPolarHBondContact CB-O 3.43Å; C256-L293 PolarHBondContact N-O 3.1Å; L291-L293 HydrophobicContact CD1-CD2 4.02Å; L291-L293 HydrophobicContact CD2-CD1 4.41Å; L291-L293 HydrophobicContact CD2-CD2 4.26Å; L291-L293 HydrophobicContact CG-CD2 3.92Å; L291-L293 HydrophobicContact CG-CG 4.11Å
294	G	98.8	Very high	98.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.125	C	C	.	.			trans	-71.6	-139.2	167	0	0	0	0	0	111.7	N128 W129 G131 Q255 C256 W307	N128-G294 PolarHBondContact O-N 3.03Å; N128-G294 VanDerWaalsContact O-N 3.16Å; W129-G294 WeakPolarHBondContact O-CA 3.32Å; G131-G294 CarbonylContact O-C 3.55Å; G131-G294 VanDerWaalsContact O-C 3.26Å; G131-G294 WeakPolarHBondContact O-CA 3.39Å; G131-G294 PolarHBondContact O-N 2.87Å; Q255-G294 WeakPolarHBondContact CG-O 3.48Å; C256-G294 PolarHBondContact N-O 3.39Å; C256-G294 VanDerWaalsContact N-O 3.11Å; G294-W307 VanDerWaalsContact CA-CZ2 3.46Å
295	G	98.3	Very high	98.3	Very high	3 Å²	3	22.7 Å²	22.7	3%	0.031	12%	0.122	C	C	.	.			trans	154.5	-149.4	-175.1	0	0	0	0	0	112.8	R28 G131	R28-G295 VanDerWaalsContact CZ-O 3.28Å; R28-G295 PolarHBondContact NH1-O 2.97Å; R28-G295 PolarHBondContact NH2-O 3.45Å; G131-G295 PolarHBondContact O-N 2.76Å
296	G	97.8	Very high	98.3	Very high	3 Å²	3	19.5 Å²	19.5	3%	0.031	10%	0.1	C	C	.	.			trans	-60.9	177.7	169.9	0	0	0	0	0	113.9	R28 D170 A258 D259	R28-G296 VanDerWaalsContact NH1-C 3.25Å; R28-G296 PolarHBondContact NH1-O 3.38Å; D170-G296 VanDerWaalsContact OD2-CA 3.31Å; D170-G296 WeakPolarHBondContact OD2-CA 3.43Å; D170-G296 PolarHBondContact OD2-N 3.3Å; A258-G296 PolarHBondContact N-O 3.46Å; D259-G296 WeakPolarHBondContact OD2-CA 3.42Å
297	G	98.1	Very high	98.3	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.01	9%	0.09	C	C	.	.			trans	126.8	111.5	-177.2	0	0	0	0	0	112.5	R28 V303	R28-G297 PolarHBondContact NH1-O 3.48Å; G297-V303 VanDerWaalsContact C-CG2 3.49Å; G297-V303 WeakPolarHBondContact O-CG2 3.41Å
298	Y	98	Very high	98.4	Very high	10 Å²	10	11.8 Å²	11.8	4%	0.039	6%	0.06	C	C	.	.			trans	-120.9	-6.1	-164.7	-50.5	-70.2	0	0	0	113	P23 M24 F144 D259 D264 R265 L266	P23-Y298 HydrophobicContact CB-CD1 3.88Å; P23-Y298 HydrophobicContact CB-CG 4.15Å; P23-Y298 HydrophobicContact CG-CD1 4.47Å; M24-Y298 HydrophobicContact CE-CE1 3.92Å; M24-Y298 HydrophobicContact SD-CE1 4.5Å; F144-Y298 AromaticContact CD2-CE1 3.57Å; F144-Y298 HydrophobicContact CD2-CE1 3.57Å; F144-Y298 AromaticContact CD2-CZ 3.83Å; F144-Y298 WeakPolarHBondContact CD2-OH 3.08Å; F144-Y298 HydrophobicContact CE2-CD1 4.34Å; F144-Y298 AromaticContact CE2-CE1 3.45Å; F144-Y298 HydrophobicContact CE2-CE1 3.45Å; F144-Y298 VanDerWaalsContact CE2-CE1 3.45Å; F144-Y298 AromaticContact CE2-CZ 3.61Å; D259-Y298 HydrophobicContact CB-CD2 3.97Å; D259-Y298 HydrophobicContact CB-CE2 3.78Å; D259-Y298 WeakPolarHBondContact OD2-CE2 3.35Å; D264-Y298 PolarHBondContact OD1-N 2.94Å; D264-Y298 WeakPolarHBondContact OD2-CD2 3.4Å; R265-Y298 WeakPolarHBondContact CD-O 3.42Å; L266-Y298 HydrophobicContact CB-CD2 3.65Å; L266-Y298 HydrophobicContact CB-CE2 3.88Å; L266-Y298 HydrophobicContact CD1-CD1 4.22Å; L266-Y298 HydrophobicContact CD1-CD2 3.61Å; L266-Y298 HydrophobicContact CD1-CE1 4.17Å; L266-Y298 HydrophobicContact CD1-CE2 3.57Å; L266-Y298 HydrophobicContact CD1-CG 3.94Å; L266-Y298 HydrophobicContact CG-CD2 3.58Å; L266-Y298 HydrophobicContact CG-CE2 3.99Å; L266-Y298 HydrophobicContact CG-CG 3.99Å
299	T	97.5	Very high	98.4	Very high	21 Å²	21	11.9 Å²	11.9	13%	0.129	6%	0.059	C	C	.	.			trans	-93	86.7	163.6	-63.5	0	0	0	0	109.9	C263 D264 R301 N302 V303	C263-T299 PolarHBondContact O-OG1 3.2Å; D264-T299 PolarHBondContact OD1-N 3.47Å; T299-R301 VanDerWaalsContact C-N 3.3Å; T299-R301 HydrophobicContact CG2-CG 4.07Å; T299-R301 PolarHBondContact O-N 3.31Å; T299-N302 HydrophobicContact CG2-CB 3.99Å; T299-N302 PolarHBondContact O-N 3.1Å; T299-V303 PolarHBondContact O-N 3.43Å; T299-V303 VanDerWaalsContact O-N 3.1Å
300	V	97.4	Very high	98.4	Very high	29 Å²	29	10 Å²	10	18%	0.176	5%	0.047	C	C	.	.	H	α-helix	trans	-39.2	-51.3	-171.8	-176.9	0	0	0	0	114.1	K25 R28 L31 N302 V303 A304	K25-V300 HydrophobicContact CB-CG2 3.81Å; K25-V300 HydrophobicContact CG-CG2 4.12Å; R28-V300 HydrophobicContact CB-CB 4.4Å; R28-V300 HydrophobicContact CB-CG1 3.76Å; L31-V300 HydrophobicContact CD2-CG1 3.87Å; V300-N302 PolarHBondContact O-N 2.91Å; V300-V303 PolarHBondContact O-N 3.28Å; V300-A304 PolarHBondContact O-N 2.96Å
301	R	97.2	Very high	98.4	Very high	96 Å²	96	9.9 Å²	9.9	36%	0.362	5%	0.046	S	C	.	.	H	α-helix	trans	-64.3	-35.1	-178.6	63.7	-175.8	178.5	-161.4	-1.5	113.7	T299 R305 Y331 F332 A333	T299-R301 VanDerWaalsContact C-N 3.3Å; T299-R301 HydrophobicContact CG2-CG 4.07Å; T299-R301 PolarHBondContact O-N 3.31Å; R301-R305 WeakPolarHBondContact O-CD 3.36Å; R301-R305 VanDerWaalsContact O-CG 3.28Å; R301-R305 WeakPolarHBondContact O-CG 3.13Å; R301-R305 PolarHBondContact O-N 3.08Å; R301-R305 VanDerWaalsContact O-N 3.16Å; R301-Y331 WeakPolarHBondContact CD-O 3.41Å; R301-F332 HydrophobicContact CB-CD1 3.94Å; R301-F332 HydrophobicContact CB-CE1 4.14Å; R301-A333 PolarHBondContact NH1-O 2.83Å; R301-A333 VanDerWaalsContact NH1-O 3.08Å
302	N	97.9	Very high	98.4	Very high	9 Å²	9	10 Å²	10	5%	0.048	5%	0.047	C	C	.	.	H	α-helix	trans	-78.6	-35	-179.9	-71.3	-1.9	0	0	0	110.9	L261 T299 V300 R305 C306	L261-N302 HydrophobicContact CD1-CB 4.3Å; T299-N302 HydrophobicContact CG2-CB 3.99Å; T299-N302 PolarHBondContact O-N 3.1Å; V300-N302 PolarHBondContact O-N 2.91Å; N302-R305 PolarHBondContact O-N 3.23Å; N302-R305 PolarHBondContact OD1-NH1 3.31Å; N302-R305 VanDerWaalsContact OD1-NH1 3.14Å; N302-C306 VanDerWaalsContact O-CB 3.31Å; N302-C306 WeakPolarHBondContact O-CB 3.48Å; N302-C306 PolarHBondContact O-N 3.35Å
303	V	98.5	Very high	98.4	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.006	5%	0.054	C	C	.	.	H	α-helix	trans	-58.5	-49.5	170.6	-178.4	0	0	0	0	110.4	R28 A258 G297 T299 V300 R305 C306 W307	R28-V303 HydrophobicContact CB-CB 4.4Å; R28-V303 HydrophobicContact CB-CG1 4.36Å; R28-V303 HydrophobicContact CG-CG1 4.23Å; A258-V303 HydrophobicContact CB-CB 4.4Å; A258-V303 HydrophobicContact CB-CG1 4.22Å; A258-V303 HydrophobicContact CB-CG2 4.09Å; G297-V303 VanDerWaalsContact C-CG2 3.49Å; G297-V303 WeakPolarHBondContact O-CG2 3.41Å; T299-V303 PolarHBondContact O-N 3.43Å; T299-V303 VanDerWaalsContact O-N 3.1Å; V300-V303 PolarHBondContact O-N 3.28Å; V303-R305 VanDerWaalsContact C-N 3.35Å; V303-R305 PolarHBondContact O-N 2.78Å; V303-C306 PolarHBondContact O-N 2.96Å; V303-C306 VanDerWaalsContact O-N 3.16Å; V303-W307 HydrophobicContact CG1-CD2 3.58Å; V303-W307 HydrophobicContact CG1-CE3 3.48Å; V303-W307 VanDerWaalsContact CG1-CE3 3.48Å; V303-W307 HydrophobicContact CG1-CG 4.38Å; V303-W307 HydrophobicContact CG1-CH2 3.66Å; V303-W307 HydrophobicContact CG1-CZ2 3.72Å; V303-W307 HydrophobicContact CG1-CZ3 3.51Å; V303-W307 PolarHBondContact O-N 2.91Å
304	A	98.4	Very high	98.3	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-60.5	-42.6	-179.9	0	0	0	0	0	112.8	L31 T32 L35 V300 T308 F332	L31-A304 HydrophobicContact CB-CB 3.63Å; T32-A304 WeakPolarHBondContact OG1-CA 3.27Å; L35-A304 HydrophobicContact CD1-CB 4.2Å; V300-A304 PolarHBondContact O-N 2.96Å; A304-T308 VanDerWaalsContact O-CB 3.26Å; A304-T308 WeakPolarHBondContact O-CB 3.33Å; A304-T308 PolarHBondContact O-N 3.37Å; A304-T308 VanDerWaalsContact O-N 3.1Å; A304-T308 PolarHBondContact O-OG1 3.38Å; A304-F332 HydrophobicContact CB-CE1 4.18Å; A304-F332 HydrophobicContact CB-CZ 4.21Å
305	R	98.5	Very high	98.3	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-60.9	-47.1	173.3	-73.2	165.3	168.7	139.2	-0.8	112	I273 R301 N302 V303 T308 Y309 F332 T337 L338	I273-R305 HydrophobicContact CD1-CB 3.58Å; I273-R305 HydrophobicContact CD1-CG 4.49Å; R301-R305 WeakPolarHBondContact O-CD 3.36Å; R301-R305 VanDerWaalsContact O-CG 3.28Å; R301-R305 WeakPolarHBondContact O-CG 3.13Å; R301-R305 PolarHBondContact O-N 3.08Å; R301-R305 VanDerWaalsContact O-N 3.16Å; N302-R305 PolarHBondContact O-N 3.23Å; N302-R305 PolarHBondContact OD1-NH1 3.31Å; N302-R305 VanDerWaalsContact OD1-NH1 3.14Å; V303-R305 VanDerWaalsContact C-N 3.35Å; V303-R305 PolarHBondContact O-N 2.78Å; R305-T308 PolarHBondContact O-N 3.01Å; R305-Y309 WeakPolarHBondContact O-CB 3.17Å; R305-Y309 PolarHBondContact O-N 3.27Å; R305-F332 HydrophobicContact CG-CD1 4.18Å; R305-F332 HydrophobicContact CG-CE1 4.09Å; R305-F332 PolarHBondContact NH2-O 3.29Å; R305-T337 PolarHBondContact NE-O 2.84Å; R305-T337 PolarHBondContact NH2-O 3.34Å; R305-L338 HydrophobicContact CB-CD1 4.24Å; R305-L338 WeakPolarHBondContact CB-O 3.43Å; R305-L338 WeakPolarHBondContact CD-O 3.09Å; R305-L338 HydrophobicContact CG-CD1 4.45Å; R305-L338 WeakPolarHBondContact CG-O 3.38Å
306	C	98.8	Very high	98.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-60.3	-56.8	-177.7	-165.1	0	0	0	0	111.9	A258 L261 I273 N302 V303 T308 Y309 E310	A258-C306 HydrophobicContact CB-CB 4.39Å; L261-C306 HydrophobicContact CD1-CB 3.8Å; I273-C306 HydrophobicContact CG1-CB 4.08Å; I273-C306 HydrophobicContact CG2-CB 4.43Å; N302-C306 VanDerWaalsContact O-CB 3.31Å; N302-C306 WeakPolarHBondContact O-CB 3.48Å; N302-C306 PolarHBondContact O-N 3.35Å; V303-C306 PolarHBondContact O-N 2.96Å; V303-C306 VanDerWaalsContact O-N 3.16Å; C306-T308 VanDerWaalsContact C-N 3.26Å; C306-T308 PolarHBondContact O-N 3.4Å; C306-Y309 PolarHBondContact O-N 3Å; C306-Y309 VanDerWaalsContact O-N 3.11Å; C306-E310 WeakPolarHBondContact O-CG 3.41Å; C306-E310 PolarHBondContact O-N 3.03Å
307	W	98.9	Very high	98.2	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-66.6	-27.5	-178.5	-66.5	-16.6	0	0	0	112.8	R28 L29 T32 W129 C256 G294 V303 T311	R28-W307 HydrophobicContact CG-CZ3 4.24Å; L29-W307 HydrophobicContact CD2-CE3 4.4Å; L29-W307 HydrophobicContact CD2-CH2 4.41Å; L29-W307 HydrophobicContact CD2-CZ3 3.61Å; T32-W307 HydrophobicContact CG2-CB 3.6Å; T32-W307 HydrophobicContact CG2-CE3 4.3Å; W129-W307 HydrophobicContact CB-CD2 4.22Å; W129-W307 HydrophobicContact CB-CE3 3.73Å; W129-W307 HydrophobicContact CB-CZ3 4.04Å; W129-W307 HydrophobicContact CD2-CB 3.77Å; W129-W307 HydrophobicContact CD2-CD2 4.1Å; W129-W307 HydrophobicContact CD2-CE3 4.46Å; W129-W307 AromaticContact CD2-CG 3.82Å; W129-W307 HydrophobicContact CD2-CG 3.82Å; W129-W307 HydrophobicContact CE3-CB 4.02Å; W129-W307 AromaticContact CE3-CD1 3.67Å; W129-W307 AromaticContact CE3-CD2 3.86Å; W129-W307 HydrophobicContact CE3-CD2 3.86Å; W129-W307 AromaticContact CE3-CG 3.61Å; W129-W307 HydrophobicContact CE3-CG 3.61Å; W129-W307 AromaticContact CE3-NE1 3.96Å; W129-W307 HydrophobicContact CG-CB 4.17Å; W129-W307 HydrophobicContact CG-CD2 4.27Å; W129-W307 HydrophobicContact CG-CE3 4.15Å; W129-W307 HydrophobicContact CG-CG 4.33Å; W129-W307 HydrophobicContact CH2-CB 4.42Å; W129-W307 HydrophobicContact CH2-CG 4.49Å; W129-W307 HydrophobicContact CZ2-CB 4.18Å; W129-W307 WeakPolarHBondContact CZ2-O 3.45Å; W129-W307 HydrophobicContact CZ3-CB 4.34Å; W129-W307 AromaticContact CZ3-CD1 3.65Å; W129-W307 AromaticContact CZ3-CG 3.98Å; W129-W307 HydrophobicContact CZ3-CG 3.98Å; W129-W307 WeakPolarHBondContact O-CH2 3.22Å; W129-W307 WeakPolarHBondContact O-CZ3 3.21Å; C256-W307 PolarHBondContact O-NE1 3.02Å; G294-W307 VanDerWaalsContact CA-CZ2 3.46Å; V303-W307 HydrophobicContact CG1-CD2 3.58Å; V303-W307 HydrophobicContact CG1-CE3 3.48Å; V303-W307 VanDerWaalsContact CG1-CE3 3.48Å; V303-W307 HydrophobicContact CG1-CG 4.38Å; V303-W307 HydrophobicContact CG1-CH2 3.66Å; V303-W307 HydrophobicContact CG1-CZ2 3.72Å; V303-W307 HydrophobicContact CG1-CZ3 3.51Å; V303-W307 PolarHBondContact O-N 2.91Å; W307-T311 WeakPolarHBondContact O-CB 3.36Å; W307-T311 PolarHBondContact O-N 3.28Å; W307-T311 PolarHBondContact O-OG1 3.29Å
308	T	98.8	Very high	98.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-66.4	-47.7	170.3	-59.7	0	0	0	0	111.4	L35 Y39 L41 A304 R305 C306 E310 T311 S312 I319 L338	L35-T308 HydrophobicContact CB-CG2 3.8Å; L35-T308 WeakPolarHBondContact CB-OG1 3.39Å; L35-T308 WeakPolarHBondContact CD1-OG1 3.19Å; Y39-T308 HydrophobicContact CD2-CG2 3.61Å; Y39-T308 HydrophobicContact CE2-CG2 3.95Å; L41-T308 HydrophobicContact CD1-CG2 4.14Å; A304-T308 VanDerWaalsContact O-CB 3.26Å; A304-T308 WeakPolarHBondContact O-CB 3.33Å; A304-T308 PolarHBondContact O-N 3.37Å; A304-T308 VanDerWaalsContact O-N 3.1Å; A304-T308 PolarHBondContact O-OG1 3.38Å; R305-T308 PolarHBondContact O-N 3.01Å; C306-T308 VanDerWaalsContact C-N 3.26Å; C306-T308 PolarHBondContact O-N 3.4Å; T308-E310 VanDerWaalsContact C-N 3.35Å; T308-T311 WeakPolarHBondContact O-CB 3.45Å; T308-T311 PolarHBondContact O-N 3.32Å; T308-S312 PolarHBondContact O-N 3.41Å; T308-I319 HydrophobicContact CG2-CD1 4.39Å; T308-L338 HydrophobicContact CG2-CD1 4.37Å
309	Y	98.8	Very high	98.1	Very high	34 Å²	34	27.6 Å²	27.6	13%	0.133	15%	0.147	C	C	.	.	H	α-helix	trans	-62.5	-42.4	177	177.7	-117.7	0	0	0	111.6	I273 R305 C306 T311 S312 L313 L338 H339	I273-Y309 HydrophobicContact CG2-CD1 3.75Å; I273-Y309 HydrophobicContact CG2-CG 4.04Å; R305-Y309 WeakPolarHBondContact O-CB 3.17Å; R305-Y309 PolarHBondContact O-N 3.27Å; C306-Y309 PolarHBondContact O-N 3Å; C306-Y309 VanDerWaalsContact O-N 3.11Å; Y309-T311 VanDerWaalsContact C-N 3.32Å; Y309-T311 PolarHBondContact O-N 2.9Å; Y309-S312 PolarHBondContact O-N 2.87Å; Y309-S312 VanDerWaalsContact O-N 3.08Å; Y309-S312 PolarHBondContact O-OG 3.29Å; Y309-L313 HydrophobicContact CD1-CD1 4.04Å; Y309-L313 HydrophobicContact CE1-CD1 3.62Å; Y309-L313 HydrophobicContact CE1-CG 4.24Å; Y309-L313 HydrophobicContact CE2-CD2 4.31Å; Y309-L313 HydrophobicContact CE2-CG 4.35Å; Y309-L313 WeakPolarHBondContact O-CG 3.49Å; Y309-L313 PolarHBondContact O-N 3.37Å; Y309-L338 HydrophobicContact CD2-CD2 4.2Å; Y309-H339 AromaticContact CD1-NE2 3.58Å; Y309-H339 AromaticContact CD2-CE1 3.48Å; Y309-H339 VanDerWaalsContact CD2-CE1 3.48Å; Y309-H339 WeakPolarHBondContact CD2-CE1 3.32Å; Y309-H339 AromaticContact CD2-NE2 3.29Å; Y309-H339 VanDerWaalsContact CD2-NE2 3.29Å; Y309-H339 WeakPolarHBondContact CD2-NE2 3.41Å; Y309-H339 AromaticContact CE1-NE2 3.72Å; Y309-H339 AromaticContact CE2-CE1 3.61Å; Y309-H339 AromaticContact CE2-NE2 3.42Å; Y309-H339 WeakPolarHBondContact CE2-NE2 3.23Å; Y309-H339 AromaticContact CG-CE1 3.96Å; Y309-H339 AromaticContact CG-NE2 3.36Å; Y309-H339 AromaticContact CZ-NE2 3.62Å
310	E	98.9	Very high	98.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64	-38.1	175	-68.8	179.3	154.8	0	0	112.4	W129 H276 V280 C306 T308 S312 L313 L314	W129-E310 HydrophobicContact CH2-CB 3.72Å; W129-E310 VanDerWaalsContact CH2-OE2 3.28Å; W129-E310 WeakPolarHBondContact CH2-OE2 3.46Å; W129-E310 HydrophobicContact CZ2-CB 4.06Å; W129-E310 WeakPolarHBondContact CZ3-OE2 3.27Å; H276-E310 IonicContact CE1-OE1 2.8Å; H276-E310 PolarHBondContact CE1-OE1 3.11Å; H276-E310 VanDerWaalsContact CE1-OE1 3.29Å; H276-E310 IonicContact CG-OE1 2.86Å; H276-E310 IonicContact ND1-OE1 3.26Å; H276-E310 PolarHBondContact ND1-OE1 2.92Å; V280-E310 HydrophobicContact CB-CG 4.37Å; V280-E310 HydrophobicContact CG1-CB 4.49Å; V280-E310 HydrophobicContact CG2-CB 4.28Å; V280-E310 VanDerWaalsContact CG2-CD 3.49Å; V280-E310 HydrophobicContact CG2-CG 3.76Å; V280-E310 WeakPolarHBondContact CG2-OE1 3.39Å; C306-E310 WeakPolarHBondContact O-CG 3.41Å; C306-E310 PolarHBondContact O-N 3.03Å; T308-E310 VanDerWaalsContact C-N 3.35Å; E310-S312 VanDerWaalsContact C-N 3.27Å; E310-S312 PolarHBondContact O-N 3.46Å; E310-L313 PolarHBondContact O-N 3.3Å; E310-L314 WeakPolarHBondContact O-CB 3.24Å; E310-L314 WeakPolarHBondContact O-CD1 3.37Å; E310-L314 WeakPolarHBondContact O-CG 3.33Å; E310-L314 PolarHBondContact O-N 3.5Å
311	T	98.8	Very high	98.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.2	-44.8	171.5	-57	0	0	0	0	110.1	V36 L41 M45 I127 W129 W307 T308 Y309 L313 L314 V315	V36-T311 HydrophobicContact CG1-CG2 4.49Å; V36-T311 HydrophobicContact CG2-CG2 4.12Å; L41-T311 HydrophobicContact CB-CG2 4.3Å; L41-T311 HydrophobicContact CD1-CG2 3.94Å; M45-T311 HydrophobicContact CE-CG2 3.68Å; M45-T311 HydrophobicContact SD-CG2 3.94Å; I127-T311 HydrophobicContact CD1-CG2 4.41Å; W129-T311 WeakPolarHBondContact CZ2-OG1 3.39Å; W129-T311 PolarHBondContact NE1-OG1 3.17Å; W307-T311 WeakPolarHBondContact O-CB 3.36Å; W307-T311 PolarHBondContact O-N 3.28Å; W307-T311 PolarHBondContact O-OG1 3.29Å; T308-T311 WeakPolarHBondContact O-CB 3.45Å; T308-T311 PolarHBondContact O-N 3.32Å; Y309-T311 VanDerWaalsContact C-N 3.32Å; Y309-T311 PolarHBondContact O-N 2.9Å; T311-L313 PolarHBondContact O-N 3.43Å; T311-L314 PolarHBondContact O-N 2.94Å; T311-L314 VanDerWaalsContact O-N 3.16Å; T311-V315 WeakPolarHBondContact O-CG2 3.46Å; T311-V315 PolarHBondContact O-N 3.16Å
312	S	98.6	Very high	98	Very high	4 Å²	4	34.1 Å²	34.1	3%	0.028	19%	0.186	C	C	.	.	H	α-helix	trans	-63.9	-39.1	179.5	88.4	0	0	0	0	112.5	T308 Y309 E310 V315 E316 E317	T308-S312 PolarHBondContact O-N 3.41Å; Y309-S312 PolarHBondContact O-N 2.87Å; Y309-S312 VanDerWaalsContact O-N 3.08Å; Y309-S312 PolarHBondContact O-OG 3.29Å; E310-S312 VanDerWaalsContact C-N 3.27Å; E310-S312 PolarHBondContact O-N 3.46Å; S312-V315 PolarHBondContact O-N 3.3Å; S312-E316 PolarHBondContact O-N 2.96Å; S312-E317 WeakPolarHBondContact CB-O 3.49Å; S312-E317 PolarHBondContact O-N 3Å
313	L	98.5	Very high	98	Very high	25 Å²	25	34.2 Å²	34.2	13%	0.131	19%	0.186	C	C	.	.	H	α-helix	trans	-63.9	-39.7	173.1	-65.5	174.2	0	0	0	112.1	G277 E281 K284 Y309 E310 T311 E316	G277-L313 VanDerWaalsContact O-CD1 3.26Å; G277-L313 WeakPolarHBondContact O-CD1 3.49Å; E281-L313 HydrophobicContact CB-CD1 4.38Å; K284-L313 PolarHBondContact NZ-O 3.22Å; Y309-L313 HydrophobicContact CD1-CD1 4.04Å; Y309-L313 HydrophobicContact CE1-CD1 3.62Å; Y309-L313 HydrophobicContact CE1-CG 4.24Å; Y309-L313 HydrophobicContact CE2-CD2 4.31Å; Y309-L313 HydrophobicContact CE2-CG 4.35Å; Y309-L313 WeakPolarHBondContact O-CG 3.49Å; Y309-L313 PolarHBondContact O-N 3.37Å; E310-L313 PolarHBondContact O-N 3.3Å; T311-L313 PolarHBondContact O-N 3.43Å; L313-E316 PolarHBondContact O-N 2.88Å
314	L	98.7	Very high	97.9	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-67.6	-37.7	179.1	-68.9	163.2	0	0	0	112	I125 I127 W129 V280 K284 L290 V292 E310 T311	I125-L314 HydrophobicContact CD1-CD2 4.12Å; I125-L314 HydrophobicContact CG2-CD2 4.03Å; I127-L314 HydrophobicContact CD1-CB 4.07Å; I127-L314 HydrophobicContact CD1-CD1 3.55Å; I127-L314 HydrophobicContact CD1-CG 4.44Å; I127-L314 HydrophobicContact CG1-CD1 3.91Å; W129-L314 HydrophobicContact CH2-CD1 4.35Å; W129-L314 HydrophobicContact CZ2-CD1 4.3Å; V280-L314 HydrophobicContact CG1-CD1 4.2Å; V280-L314 HydrophobicContact CG1-CD2 3.68Å; V280-L314 HydrophobicContact CG1-CG 3.81Å; K284-L314 HydrophobicContact CD-CD2 4.38Å; K284-L314 WeakPolarHBondContact CE-O 3.18Å; K284-L314 HydrophobicContact CG-CD2 4.49Å; K284-L314 PolarHBondContact NZ-O 3.06Å; L290-L314 HydrophobicContact CD2-CD2 3.98Å; V292-L314 HydrophobicContact CB-CD1 4.22Å; V292-L314 HydrophobicContact CG1-CD1 4.09Å; V292-L314 HydrophobicContact CG2-CD1 3.86Å; V292-L314 HydrophobicContact CG2-CD2 3.88Å; E310-L314 WeakPolarHBondContact O-CB 3.24Å; E310-L314 WeakPolarHBondContact O-CD1 3.37Å; E310-L314 WeakPolarHBondContact O-CG 3.33Å; E310-L314 PolarHBondContact O-N 3.5Å; T311-L314 PolarHBondContact O-N 2.94Å; T311-L314 VanDerWaalsContact O-N 3.16Å
315	V	98	Very high	97.8	Very high	20 Å²	20	44.5 Å²	44.5	12%	0.121	23%	0.23	C	C	.	.	H	α-helix	trans	-89.2	-1.6	176.2	-56.3	0	0	0	0	114.8	V5 L41 K44 M45 T311 S312 E317	V5-V315 HydrophobicContact CB-CG1 4.17Å; V5-V315 HydrophobicContact CG1-CG1 4.12Å; V5-V315 HydrophobicContact CG2-CG1 4.1Å; L41-V315 HydrophobicContact CD2-CG2 3.86Å; K44-V315 HydrophobicContact CB-CB 3.85Å; K44-V315 HydrophobicContact CB-CG1 4.23Å; K44-V315 HydrophobicContact CB-CG2 4.06Å; M45-V315 HydrophobicContact CB-CG1 4.11Å; M45-V315 HydrophobicContact CG-CG1 4.42Å; M45-V315 HydrophobicContact SD-CG1 3.99Å; T311-V315 WeakPolarHBondContact O-CG2 3.46Å; T311-V315 PolarHBondContact O-N 3.16Å; S312-V315 PolarHBondContact O-N 3.3Å; V315-E317 VanDerWaalsContact C-N 3.3Å; V315-E317 HydrophobicContact CG2-CB 3.76Å; V315-E317 PolarHBondContact O-N 3.43Å
316	E	97.1	Very high	97.6	Very high	138 Å²	138	45.4 Å²	45.4	65%	0.645	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	32.9	-178.4	-51.6	-175.9	176.5	0	0	114	K284 S312 L313	K284-E316 VanDerWaalsContact NZ-CD 3.33Å; K284-E316 IonicContact NZ-OE1 2.8Å; K284-E316 PolarHBondContact NZ-OE1 3.38Å; S312-E316 PolarHBondContact O-N 2.96Å; L313-E316 PolarHBondContact O-N 2.88Å
317	E	96.9	Very high	97.4	Very high	72 Å²	72	51.2 Å²	51.2	34%	0.336	26%	0.263	S	S	.	.			trans	-103.3	124.8	178.8	-168.5	64.9	-146.7	0	0	110.2	L41 K44 S312 V315 I319	L41-E317 HydrophobicContact CD2-CB 3.84Å; L41-E317 HydrophobicContact CD2-CG 4.1Å; K44-E317 WeakPolarHBondContact CE-OE2 3.46Å; K44-E317 IonicContact NZ-OE2 2.85Å; S312-E317 WeakPolarHBondContact CB-O 3.49Å; S312-E317 PolarHBondContact O-N 3Å; V315-E317 VanDerWaalsContact C-N 3.3Å; V315-E317 HydrophobicContact CG2-CB 3.76Å; V315-E317 PolarHBondContact O-N 3.43Å; E317-I319 HydrophobicContact CG-CG2 4.24Å; E317-I319 PolarHBondContact O-N 3.26Å
318	A	96.7	Very high	97.3	Very high	97 Å²	97	53.6 Å²	53.6	80%	0.802	27%	0.273	S	S	*	.			trans	-77.8	119.3	171.3	0	0	0	0	0	109.2
319	I	97.6	Very high	97.2	Very high	33 Å²	33	55 Å²	55	17%	0.169	28%	0.279	C	S	.	.			trans	-113.1	157.9	-179	57.4	171.7	0	0	0	112.2	Y39 L41 T308 E317 L338	Y39-I319 HydrophobicContact CD1-CB 3.77Å; Y39-I319 HydrophobicContact CD1-CD1 4.27Å; Y39-I319 HydrophobicContact CD1-CG2 4.06Å; Y39-I319 HydrophobicContact CD2-CD1 4.42Å; Y39-I319 HydrophobicContact CE1-CB 3.99Å; Y39-I319 HydrophobicContact CE1-CD1 4.32Å; Y39-I319 HydrophobicContact CE2-CD1 4.46Å; Y39-I319 HydrophobicContact CG-CB 4.45Å; Y39-I319 HydrophobicContact CG-CD1 4.31Å; Y39-I319 HydrophobicContact CG-CG2 4.43Å; L41-I319 HydrophobicContact CD2-CG2 3.68Å; L41-I319 HydrophobicContact CG-CG2 4.38Å; T308-I319 HydrophobicContact CG2-CD1 4.39Å; E317-I319 HydrophobicContact CG-CG2 4.24Å; E317-I319 PolarHBondContact O-N 3.26Å; I319-L338 HydrophobicContact CD1-CD2 3.45Å; I319-L338 VanDerWaalsContact CD1-CD2 3.45Å; I319-L338 HydrophobicContact CG1-CD2 3.91Å
320	S	96.9	Very high	97.1	Very high	64 Å²	64	60.3 Å²	60.3	45%	0.448	31%	0.305	S	S	.	.			trans	-68.5	146.4	-179.8	-173.9	0	0	0	0	112.4	Y39 E322	Y39-S320 WeakPolarHBondContact CE1-O 3.16Å; Y39-S320 PolarHBondContact OH-O 2.98Å; S320-E322 PolarHBondContact O-N 2.92Å; S320-E322 PolarHBondContact OG-N 3.04Å; S320-E322 VanDerWaalsContact OG-N 3.13Å
321	E	96.8	Very high	97	Very high	69 Å²	69	66 Å²	66	32%	0.322	33%	0.327	S	S	.	.	S	Bend	trans	-67.9	-25.6	168.1	-68.5	-59	138.9	0	0	112.9	R274 T337 L338 H339	R274-E321 IonicContact CZ-OE1 3.18Å; R274-E321 IonicContact NH1-OE1 3.68Å; R274-E321 IonicContact NH2-OE1 2.77Å; R274-E321 PolarHBondContact NH2-OE1 3.24Å; R274-E321 IonicContact NH2-OE2 2.61Å; R274-E321 PolarHBondContact NH2-OE2 3.02Å; E321-T337 CarbonylContact O-C 3.58Å; E321-T337 VanDerWaalsContact O-CA 3.24Å; E321-T337 WeakPolarHBondContact O-CA 3.36Å; E321-L338 PolarHBondContact O-N 3.2Å; E321-H339 IonicContact OE1-CE1 3.79Å; E321-H339 PolarHBondContact OE1-CE1 2.99Å; E321-H339 IonicContact OE1-ND1 2.68Å; E321-H339 PolarHBondContact OE1-ND1 2.87Å; E321-H339 WeakPolarHBondContact OE2-CB 3.42Å; E321-H339 IonicContact OE2-CE1 2.76Å; E321-H339 IonicContact OE2-CG 2.93Å; E321-H339 IonicContact OE2-ND1 3.29Å; E321-H339 PolarHBondContact OE2-ND1 3.06Å
322	E	96.4	Very high	96.9	Very high	150 Å²	150	66 Å²	66	70%	0.701	33%	0.327	S	S	*	.	B	Isolated β-bridge	trans	-76.4	128.4	174.7	-63.9	-178.8	176.3	0	0	109.3	Y39 S320	Y39-E322 PolarHBondContact OH-O 3.06Å; S320-E322 PolarHBondContact O-N 2.92Å; S320-E322 PolarHBondContact OG-N 3.04Å; S320-E322 VanDerWaalsContact OG-N 3.13Å
323	L	97.2	Very high	96.7	Very high	11 Å²	11	67.3 Å²	67.3	6%	0.058	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-69.9	134	175	-66.3	178.8	0	0	0	109.8	L35 Y39 F329 F332 F336 L338	L35-L323 HydrophobicContact CD1-CD2 4.45Å; L35-L323 HydrophobicContact CD2-CD2 4.05Å; Y39-L323 HydrophobicContact CE2-CD2 4.16Å; Y39-L323 WeakPolarHBondContact OH-CD2 3.41Å; L323-F329 HydrophobicContact CB-CE2 4.2Å; L323-F332 HydrophobicContact CD1-CB 3.37Å; L323-F332 HydrophobicContact CD1-CD1 3.71Å; L323-F332 HydrophobicContact CD1-CD2 3.88Å; L323-F332 HydrophobicContact CD1-CE1 4.46Å; L323-F332 HydrophobicContact CD1-CG 3.37Å; L323-F336 WeakPolarHBondContact CB-O 3.12Å; L323-F336 WeakPolarHBondContact CG-O 3.47Å; L323-F336 PolarHBondContact N-O 3.04Å; L323-L338 HydrophobicContact CD2-CB 4.13Å; L323-L338 HydrophobicContact CD2-CD1 4.13Å
324	P	96.8	Very high	96.5	Very high	29 Å²	29	71 Å²	71	19%	0.188	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-68.2	151.4	173.4	30.6	-36.2	0	0	0	110.4	H38 Y39 S326 F329	H38-P324 HydrophobicContact CB-CB 3.83Å; H38-P324 HydrophobicContact CB-CG 3.49Å; H38-P324 VanDerWaalsContact CB-CG 3.49Å; Y39-P324 HydrophobicContact CD1-CG 4.41Å; Y39-P324 HydrophobicContact CD2-CG 4.01Å; Y39-P324 HydrophobicContact CE1-CG 4.47Å; Y39-P324 VanDerWaalsContact CE2-CD 3.43Å; Y39-P324 HydrophobicContact CE2-CG 4.07Å; Y39-P324 HydrophobicContact CG-CG 4.19Å; P324-S326 PolarHBondContact O-N 3.37Å; P324-F329 WeakPolarHBondContact O-CD2 3.48Å
325	Y	95.9	Very high	96.2	Very high	187 Å²	187	74.4 Å²	74.4	73%	0.733	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-61.5	131.3	171.3	-80	-76.5	0	0	0	110.2	H38 F329	H38-Y325 PolarHBondContact CD2-O 3.4Å; Y325-F329 HydrophobicContact CD1-CD1 4.1Å; Y325-F329 HydrophobicContact CD1-CD2 4.26Å; Y325-F329 HydrophobicContact CD1-CE1 4.26Å; Y325-F329 HydrophobicContact CD1-CE2 4.42Å; Y325-F329 HydrophobicContact CD1-CG 4.09Å; Y325-F329 HydrophobicContact CD1-CZ 4.42Å; Y325-F329 HydrophobicContact CE1-CD1 4.04Å; Y325-F329 AromaticContact CE1-CE1 3.85Å; Y325-F329 HydrophobicContact CE1-CE1 3.85Å; Y325-F329 HydrophobicContact CE1-CG 4.47Å; Y325-F329 HydrophobicContact CE1-CZ 4.13Å
326	S	94.1	Very high	96.1	Very high	20 Å²	20	76.4 Å²	76.4	14%	0.14	39%	0.389	C	S	.	.			trans	-148.1	172	174.9	73.4	0	0	0	0	110.6	S34 H38 P324 Y328 F329	S34-S326 WeakPolarHBondContact OG-CB 3.49Å; H38-S326 VanDerWaalsContact CE1-CB 3.45Å; H38-S326 WeakPolarHBondContact CE1-CB 3.48Å; P324-S326 PolarHBondContact O-N 3.37Å; S326-Y328 PolarHBondContact O-N 3.42Å; S326-Y328 VanDerWaalsContact O-N 3.13Å; S326-Y328 PolarHBondContact OG-N 2.83Å; S326-F329 VanDerWaalsContact O-CB 3.3Å; S326-F329 WeakPolarHBondContact O-CB 3.27Å; S326-F329 PolarHBondContact O-N 3Å; S326-F329 VanDerWaalsContact O-N 3.08Å; S326-F329 PolarHBondContact OG-N 3.23Å
327	E	95.4	Very high	96.1	Very high	121 Å²	121	72.1 Å²	72.1	57%	0.565	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-20.6	173.3	69.7	-76.5	-179.4	0	0	113.7	S34 H38	S34-E327 WeakPolarHBondContact CB-OE1 3.03Å; S34-E327 PolarHBondContact OG-OE1 2.81Å; S34-E327 PolarHBondContact OG-OE2 2.84Å; H38-E327 IonicContact CE1-OE2 2.71Å; H38-E327 PolarHBondContact CE1-OE2 2.66Å; H38-E327 IonicContact NE2-OE2 3.82Å
328	Y	96.1	Very high	96.1	Very high	51 Å²	51	68.7 Å²	68.7	20%	0.2	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	8.6	177.8	-57.5	-62.1	0	0	0	113.7	H27 A30 L31 S326 E330 Y331 F332	H27-Y328 AromaticContact CE1-CE1 3.54Å; H27-Y328 AromaticContact CE1-CZ 3.93Å; H27-Y328 AromaticContact NE2-CE1 3.73Å; A30-Y328 HydrophobicContact CB-CE2 4.23Å; L31-Y328 HydrophobicContact CD1-CD1 3.79Å; L31-Y328 HydrophobicContact CD1-CD2 4.1Å; L31-Y328 HydrophobicContact CD1-CE1 4.1Å; L31-Y328 HydrophobicContact CD1-CE2 4.36Å; L31-Y328 HydrophobicContact CD1-CG 3.81Å; L31-Y328 HydrophobicContact CG-CD1 4.26Å; L31-Y328 HydrophobicContact CG-CD2 4.05Å; L31-Y328 HydrophobicContact CG-CG 3.79Å; S326-Y328 PolarHBondContact O-N 3.42Å; S326-Y328 VanDerWaalsContact O-N 3.13Å; S326-Y328 PolarHBondContact OG-N 2.83Å; Y328-E330 PolarHBondContact O-N 2.8Å; Y328-E330 VanDerWaalsContact O-N 3.08Å; Y328-Y331 HydrophobicContact CD1-CD2 4.12Å; Y328-Y331 AromaticContact CD1-CE2 3.9Å; Y328-Y331 HydrophobicContact CD1-CE2 3.9Å; Y328-Y331 VanDerWaalsContact O-CB 3.28Å; Y328-Y331 WeakPolarHBondContact O-CB 3.5Å; Y328-Y331 PolarHBondContact O-N 2.56Å; Y328-F332 WeakPolarHBondContact O-CD2 3.2Å
329	F	96.1	Very high	96.2	Very high	29 Å²	29	65.5 Å²	65.5	13%	0.127	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-50.3	-41.1	-173.3	-171.9	-103.9	0	0	0	113.7	L323 P324 Y325 S326 Y331 F332 F336	L323-F329 HydrophobicContact CB-CE2 4.2Å; P324-F329 WeakPolarHBondContact O-CD2 3.48Å; Y325-F329 HydrophobicContact CD1-CD1 4.1Å; Y325-F329 HydrophobicContact CD1-CD2 4.26Å; Y325-F329 HydrophobicContact CD1-CE1 4.26Å; Y325-F329 HydrophobicContact CD1-CE2 4.42Å; Y325-F329 HydrophobicContact CD1-CG 4.09Å; Y325-F329 HydrophobicContact CD1-CZ 4.42Å; Y325-F329 HydrophobicContact CE1-CD1 4.04Å; Y325-F329 AromaticContact CE1-CE1 3.85Å; Y325-F329 HydrophobicContact CE1-CE1 3.85Å; Y325-F329 HydrophobicContact CE1-CG 4.47Å; Y325-F329 HydrophobicContact CE1-CZ 4.13Å; S326-F329 VanDerWaalsContact O-CB 3.3Å; S326-F329 WeakPolarHBondContact O-CB 3.27Å; S326-F329 PolarHBondContact O-N 3Å; S326-F329 VanDerWaalsContact O-N 3.08Å; S326-F329 PolarHBondContact OG-N 3.23Å; F329-Y331 PolarHBondContact O-N 3.23Å; F329-F332 WeakPolarHBondContact O-CB 3.25Å; F329-F332 PolarHBondContact O-N 2.78Å; F329-F332 VanDerWaalsContact O-N 3.09Å; F329-F336 AromaticContact CD1-CD1 3.91Å; F329-F336 HydrophobicContact CD1-CD1 3.91Å; F329-F336 AromaticContact CD1-CE1 3.81Å; F329-F336 HydrophobicContact CD1-CE1 3.81Å; F329-F336 AromaticContact CE1-CD1 3.35Å; F329-F336 HydrophobicContact CE1-CD1 3.35Å; F329-F336 AromaticContact CE1-CE1 3.5Å; F329-F336 HydrophobicContact CE1-CE1 3.5Å; F329-F336 HydrophobicContact CE1-CG 4.15Å; F329-F336 HydrophobicContact CE1-CZ 4.4Å; F329-F336 HydrophobicContact CE2-CD1 4.05Å; F329-F336 HydrophobicContact CG-CD1 4.47Å; F329-F336 HydrophobicContact CZ-CB 4.08Å; F329-F336 AromaticContact CZ-CD1 3.43Å; F329-F336 HydrophobicContact CZ-CD1 3.43Å; F329-F336 VanDerWaalsContact CZ-CD1 3.43Å; F329-F336 HydrophobicContact CZ-CE1 4.1Å; F329-F336 AromaticContact CZ-CG 3.96Å; F329-F336 HydrophobicContact CZ-CG 3.96Å
330	E	96.9	Very high	96.1	Very high	145 Å²	145	64.5 Å²	64.5	68%	0.678	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-65.4	-20.8	179.7	-63.9	-59.2	148.5	0	0	114.2	Y328 F332 A333	Y328-E330 PolarHBondContact O-N 2.8Å; Y328-E330 VanDerWaalsContact O-N 3.08Å; E330-F332 PolarHBondContact O-N 3.08Å; E330-A333 WeakPolarHBondContact O-CB 3.22Å; E330-A333 PolarHBondContact O-N 3.34Å
331	Y	96.5	Very high	96	Very high	120 Å²	120	67.6 Å²	67.6	47%	0.471	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-64.5	-21	173.9	-80.3	-107.4	0	0	0	112.5	H27 L31 R301 Y328 F329	H27-Y331 AromaticContact NE2-CE1 3.97Å; H27-Y331 AromaticContact NE2-CZ 3.69Å; H27-Y331 PolarHBondContact NE2-OH 2.98Å; L31-Y331 HydrophobicContact CD2-CD1 3.84Å; L31-Y331 HydrophobicContact CD2-CG 3.88Å; R301-Y331 WeakPolarHBondContact CD-O 3.41Å; Y328-Y331 HydrophobicContact CD1-CD2 4.12Å; Y328-Y331 AromaticContact CD1-CE2 3.9Å; Y328-Y331 HydrophobicContact CD1-CE2 3.9Å; Y328-Y331 VanDerWaalsContact O-CB 3.28Å; Y328-Y331 WeakPolarHBondContact O-CB 3.5Å; Y328-Y331 PolarHBondContact O-N 2.56Å; F329-Y331 PolarHBondContact O-N 3.23Å
332	F	97.2	Very high	95.8	Very high	1 Å²	1	64.7 Å²	64.7	0%	0.004	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-94.3	1.4	-175.6	-59	-76	0	0	0	113.8	L31 L35 R301 A304 R305 L323 Y328 F329 E330 D335 F336	L31-F332 HydrophobicContact CB-CZ 4.49Å; L31-F332 HydrophobicContact CD2-CZ 4.12Å; L35-F332 HydrophobicContact CD1-CE1 3.9Å; L35-F332 HydrophobicContact CD1-CE2 4.41Å; L35-F332 HydrophobicContact CD1-CZ 3.58Å; L35-F332 HydrophobicContact CD2-CE2 4.14Å; L35-F332 HydrophobicContact CD2-CZ 4.12Å; L35-F332 HydrophobicContact CG-CE2 4.35Å; L35-F332 HydrophobicContact CG-CZ 3.9Å; R301-F332 HydrophobicContact CB-CD1 3.94Å; R301-F332 HydrophobicContact CB-CE1 4.14Å; A304-F332 HydrophobicContact CB-CE1 4.18Å; A304-F332 HydrophobicContact CB-CZ 4.21Å; R305-F332 HydrophobicContact CG-CD1 4.18Å; R305-F332 HydrophobicContact CG-CE1 4.09Å; R305-F332 PolarHBondContact NH2-O 3.29Å; L323-F332 HydrophobicContact CD1-CB 3.37Å; L323-F332 HydrophobicContact CD1-CD1 3.71Å; L323-F332 HydrophobicContact CD1-CD2 3.88Å; L323-F332 HydrophobicContact CD1-CE1 4.46Å; L323-F332 HydrophobicContact CD1-CG 3.37Å; Y328-F332 WeakPolarHBondContact O-CD2 3.2Å; F329-F332 WeakPolarHBondContact O-CB 3.25Å; F329-F332 PolarHBondContact O-N 2.78Å; F329-F332 VanDerWaalsContact O-N 3.09Å; E330-F332 PolarHBondContact O-N 3.08Å; F332-D335 PolarHBondContact O-N 2.95Å; F332-F336 HydrophobicContact CB-CD1 4.48Å; F332-F336 PolarHBondContact O-N 3.02Å; F332-F336 VanDerWaalsContact O-N 3.16Å
333	A	94.7	Very high	95.2	Very high	31 Å²	31	61.3 Å²	61.3	26%	0.256	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	147.9	172.9	0	0	0	0	0	112	R301 E330 F336	R301-A333 PolarHBondContact NH1-O 2.83Å; R301-A333 VanDerWaalsContact NH1-O 3.08Å; E330-A333 WeakPolarHBondContact O-CB 3.22Å; E330-A333 PolarHBondContact O-N 3.34Å; A333-F336 HydrophobicContact CB-CE1 3.95Å; A333-F336 HydrophobicContact CB-CE2 4.14Å; A333-F336 HydrophobicContact CB-CZ 3.51Å
334	P	94.5	Very high	94.7	Very high	101 Å²	101	62.7 Å²	62.7	66%	0.656	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	cis	-90.3	-4.1	-1.4	37.5	-35.9	0	0	0	114.2	F336	P334-F336 WeakPolarHBondContact O-CD2 3.26Å; P334-F336 WeakPolarHBondContact O-CE2 3.38Å
335	D	92.5	Very high	94.2	Very high	73 Å²	73	73.3 Å²	73.3	39%	0.39	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-41.8	-167.7	-50.3	-64.7	0	0	0	112.5	F332 T337 P340	F332-D335 PolarHBondContact O-N 2.95Å; D335-T337 WeakPolarHBondContact O-CG2 3.44Å; D335-T337 PolarHBondContact O-N 2.84Å; D335-P340 HydrophobicContact CB-CB 3.98Å
336	F	95.4	Very high	94.1	Very high	63 Å²	63	67.4 Å²	67.4	28%	0.276	34%	0.337	S	S	.	.			trans	52.6	19.8	-176.3	-53.1	-77	0	0	0	115.7	L323 F329 F332 A333 P334	L323-F336 WeakPolarHBondContact CB-O 3.12Å; L323-F336 WeakPolarHBondContact CG-O 3.47Å; L323-F336 PolarHBondContact N-O 3.04Å; F329-F336 AromaticContact CD1-CD1 3.91Å; F329-F336 HydrophobicContact CD1-CD1 3.91Å; F329-F336 AromaticContact CD1-CE1 3.81Å; F329-F336 HydrophobicContact CD1-CE1 3.81Å; F329-F336 AromaticContact CE1-CD1 3.35Å; F329-F336 HydrophobicContact CE1-CD1 3.35Å; F329-F336 AromaticContact CE1-CE1 3.5Å; F329-F336 HydrophobicContact CE1-CE1 3.5Å; F329-F336 HydrophobicContact CE1-CG 4.15Å; F329-F336 HydrophobicContact CE1-CZ 4.4Å; F329-F336 HydrophobicContact CE2-CD1 4.05Å; F329-F336 HydrophobicContact CG-CD1 4.47Å; F329-F336 HydrophobicContact CZ-CB 4.08Å; F329-F336 AromaticContact CZ-CD1 3.43Å; F329-F336 HydrophobicContact CZ-CD1 3.43Å; F329-F336 VanDerWaalsContact CZ-CD1 3.43Å; F329-F336 HydrophobicContact CZ-CE1 4.1Å; F329-F336 AromaticContact CZ-CG 3.96Å; F329-F336 HydrophobicContact CZ-CG 3.96Å; F332-F336 HydrophobicContact CB-CD1 4.48Å; F332-F336 PolarHBondContact O-N 3.02Å; F332-F336 VanDerWaalsContact O-N 3.16Å; A333-F336 HydrophobicContact CB-CE1 3.95Å; A333-F336 HydrophobicContact CB-CE2 4.14Å; A333-F336 HydrophobicContact CB-CZ 3.51Å; P334-F336 WeakPolarHBondContact O-CD2 3.26Å; P334-F336 WeakPolarHBondContact O-CE2 3.38Å
337	T	97.5	Very high	94.2	Very high	48 Å²	48	73.8 Å²	73.8	29%	0.294	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-107.4	157.6	173.9	63.7	0	0	0	0	111.8	R305 E321 D335	R305-T337 PolarHBondContact NE-O 2.84Å; R305-T337 PolarHBondContact NH2-O 3.34Å; E321-T337 CarbonylContact O-C 3.58Å; E321-T337 VanDerWaalsContact O-CA 3.24Å; E321-T337 WeakPolarHBondContact O-CA 3.36Å; D335-T337 WeakPolarHBondContact O-CG2 3.44Å; D335-T337 PolarHBondContact O-N 2.84Å
338	L	97.8	Very high	94.3	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	35%	0.349	C	S	.	.	S	Bend	trans	-67.9	-40.9	173	-174.9	62.9	0	0	0	111.5	Y39 I273 R305 T308 Y309 I319 E321 L323 P340	Y39-L338 HydrophobicContact CE2-CD1 4.23Å; I273-L338 WeakPolarHBondContact CD1-O 3.46Å; R305-L338 HydrophobicContact CB-CD1 4.24Å; R305-L338 WeakPolarHBondContact CB-O 3.43Å; R305-L338 WeakPolarHBondContact CD-O 3.09Å; R305-L338 HydrophobicContact CG-CD1 4.45Å; R305-L338 WeakPolarHBondContact CG-O 3.38Å; T308-L338 HydrophobicContact CG2-CD1 4.37Å; Y309-L338 HydrophobicContact CD2-CD2 4.2Å; I319-L338 HydrophobicContact CD1-CD2 3.45Å; I319-L338 VanDerWaalsContact CD1-CD2 3.45Å; I319-L338 HydrophobicContact CG1-CD2 3.91Å; E321-L338 PolarHBondContact O-N 3.2Å; L323-L338 HydrophobicContact CD2-CB 4.13Å; L323-L338 HydrophobicContact CD2-CD1 4.13Å; L338-P340 VanDerWaalsContact C-CD 3.41Å; L338-P340 WeakPolarHBondContact O-CD 3.47Å
339	H	97.7	Very high	94.4	Very high	29 Å²	29	71.9 Å²	71.9	13%	0.134	36%	0.359	C	S	.	.	S	Bend	trans	-113.3	75.6	179.4	-56.2	94.5	0	0	0	111.2	I273 R274 Y309 E321	I273-H339 VanDerWaalsContact CG2-CD2 3.49Å; I273-H339 WeakPolarHBondContact CG2-CD2 3.47Å; R274-H339 WeakPolarHBondContact CG-CD2 3.43Å; R274-H339 PolarHBondContact NH2-ND1 3.18Å; Y309-H339 AromaticContact CD1-NE2 3.58Å; Y309-H339 AromaticContact CD2-CE1 3.48Å; Y309-H339 VanDerWaalsContact CD2-CE1 3.48Å; Y309-H339 WeakPolarHBondContact CD2-CE1 3.32Å; Y309-H339 AromaticContact CD2-NE2 3.29Å; Y309-H339 VanDerWaalsContact CD2-NE2 3.29Å; Y309-H339 WeakPolarHBondContact CD2-NE2 3.41Å; Y309-H339 AromaticContact CE1-NE2 3.72Å; Y309-H339 AromaticContact CE2-CE1 3.61Å; Y309-H339 AromaticContact CE2-NE2 3.42Å; Y309-H339 WeakPolarHBondContact CE2-NE2 3.23Å; Y309-H339 AromaticContact CG-CE1 3.96Å; Y309-H339 AromaticContact CG-NE2 3.36Å; Y309-H339 AromaticContact CZ-NE2 3.62Å; E321-H339 IonicContact OE1-CE1 3.79Å; E321-H339 PolarHBondContact OE1-CE1 2.99Å; E321-H339 IonicContact OE1-ND1 2.68Å; E321-H339 PolarHBondContact OE1-ND1 2.87Å; E321-H339 WeakPolarHBondContact OE2-CB 3.42Å; E321-H339 IonicContact OE2-CE1 2.76Å; E321-H339 IonicContact OE2-CG 2.93Å; E321-H339 IonicContact OE2-ND1 3.29Å; E321-H339 PolarHBondContact OE2-ND1 3.06Å
340	P	96.3	Very high	94.5	Very high	13 Å²	13	70.8 Å²	70.8	8%	0.084	36%	0.355	C	S	.	.			trans	-64.4	159.9	171.8	31.6	-39.2	0	0	0	111.1	I273 D335 L338 V342	I273-P340 HydrophobicContact CD1-CG 4.31Å; D335-P340 HydrophobicContact CB-CB 3.98Å; L338-P340 VanDerWaalsContact C-CD 3.41Å; L338-P340 WeakPolarHBondContact O-CD 3.47Å; P340-V342 HydrophobicContact CG-CG1 4.06Å; P340-V342 PolarHBondContact O-N 3.29Å; P340-V342 VanDerWaalsContact O-N 3.11Å
341	D	93.9	Very high	94.6	Very high	129 Å²	129	66.8 Å²	66.8	69%	0.69	34%	0.343	S	S	*	.			trans	-69.3	107.8	168.3	-175.4	4.6	0	0	0	109.4	S343	D341-S343 VanDerWaalsContact CG-OG 3.25Å; D341-S343 WeakPolarHBondContact OD1-CB 3.4Å; D341-S343 PolarHBondContact OD1-N 3.44Å; D341-S343 PolarHBondContact OD1-OG 3.48Å; D341-S343 PolarHBondContact OD2-OG 3.1Å
342	V	91.9	Very high	94.6	Very high	8 Å²	8	69.6 Å²	69.6	5%	0.048	35%	0.352	C	S	.	.			trans	-101	15.1	176.3	-62.8	0	0	0	0	112.3	G262 L271 P340 T344	G262-V342 CarbonylContact C-O 3.58Å; G262-V342 VanDerWaalsContact CA-O 3.25Å; G262-V342 WeakPolarHBondContact CA-O 3.38Å; L271-V342 WeakPolarHBondContact O-CG2 3.24Å; P340-V342 HydrophobicContact CG-CG1 4.06Å; P340-V342 PolarHBondContact O-N 3.29Å; P340-V342 VanDerWaalsContact O-N 3.11Å; V342-T344 PolarHBondContact O-N 3.35Å
343	S	85.4	Confident	94.7	Very high	78 Å²	78	76.1 Å²	76.1	55%	0.545	38%	0.383	S	S	.	.			trans	-59.1	138.1	177.2	63.4	0	0	0	0	111.8	D341	D341-S343 VanDerWaalsContact CG-OG 3.25Å; D341-S343 WeakPolarHBondContact OD1-CB 3.4Å; D341-S343 PolarHBondContact OD1-N 3.44Å; D341-S343 PolarHBondContact OD1-OG 3.48Å; D341-S343 PolarHBondContact OD2-OG 3.1Å
344	T	86.2	Confident	94.8	Very high	40 Å²	40	76.4 Å²	76.4	25%	0.245	38%	0.378	C	S	.	.			trans	-114.2	171.7	176.2	89.5	0	0	0	0	110.8	N270 V342 I346	N270-T344 WeakPolarHBondContact OD1-CB 3.38Å; N270-T344 WeakPolarHBondContact OD1-CG2 3.3Å; N270-T344 PolarHBondContact OD1-OG1 3.15Å; V342-T344 PolarHBondContact O-N 3.35Å; T344-I346 VanDerWaalsContact OG1-CB 3.24Å; T344-I346 WeakPolarHBondContact OG1-CB 3.48Å; T344-I346 VanDerWaalsContact OG1-CG1 3.23Å; T344-I346 WeakPolarHBondContact OG1-CG1 3.36Å; T344-I346 PolarHBondContact OG1-N 2.87Å
345	R	86.7	Confident	95	Very high	253 Å²	253	71.9 Å²	71.9	96%	0.955	35%	0.348	S	S	*	.	S	Bend	trans	-85.6	5	171.7	-62.7	-174.2	-177.6	-175	1.3	113.3	E347	R345-E347 PolarHBondContact O-N 2.9Å
346	I	93.7	Very high	95.3	Very high	62 Å²	62	70.2 Å²	70.2	32%	0.318	34%	0.339	S	S	.	.			trans	-71.9	118.7	-179.1	-58.6	170.8	0	0	0	107.5	D225 C268 N270 T344	D225-I346 HydrophobicContact CB-CG2 3.78Å; C268-I346 HydrophobicContact CB-CD1 3.83Å; N270-I346 PolarHBondContact ND2-O 3.2Å; T344-I346 VanDerWaalsContact OG1-CB 3.24Å; T344-I346 WeakPolarHBondContact OG1-CB 3.48Å; T344-I346 VanDerWaalsContact OG1-CG1 3.23Å; T344-I346 WeakPolarHBondContact OG1-CG1 3.36Å; T344-I346 PolarHBondContact OG1-N 2.87Å
347	E	96.5	Very high	95.4	Very high	155 Å²	155	71.7 Å²	71.7	72%	0.724	35%	0.347	S	S	*	.			trans	-64	134.4	176	-176.8	178.2	-180	0	0	110.2	R345 Q349	R345-E347 PolarHBondContact O-N 2.9Å; E347-Q349 PolarHBondContact O-N 3.43Å
348	N	97.5	Very high	95.4	Very high	44 Å²	44	69.6 Å²	69.6	24%	0.235	33%	0.334	C	S	.	.			trans	-70.3	102.1	174.2	-173.5	-6.3	0	0	0	110.1	G226 D228 S231 N350	G226-N348 WeakPolarHBondContact O-CA 3.13Å; G226-N348 WeakPolarHBondContact O-CB 3.19Å; G226-N348 VanDerWaalsContact O-CG 3.22Å; D228-N348 VanDerWaalsContact CG-ND2 3.31Å; D228-N348 PolarHBondContact OD2-ND2 3.2Å; S231-N348 PolarHBondContact OG-ND2 3.47Å; N348-N350 PolarHBondContact O-N 2.82Å; N348-N350 WeakPolarHBondContact OD1-CB 3.42Å; N348-N350 PolarHBondContact OD1-N 2.77Å; N348-N350 PolarHBondContact OD1-ND2 2.75Å
349	Q	98.1	Very high	95.4	Very high	87 Å²	87	72.1 Å²	72.1	41%	0.407	34%	0.343	S	S	.	.			trans	-83.2	4.2	179.7	-65.7	179.5	36.4	0	0	113.1	R224 D225 E347 S351	R224-Q349 HydrophobicContact CB-CB 3.81Å; R224-Q349 WeakPolarHBondContact CD-O 3.41Å; D225-Q349 HydrophobicContact CB-CG 4.44Å; D225-Q349 PolarHBondContact O-N 2.74Å; D225-Q349 PolarHBondContact OD2-NE2 3.04Å; D225-Q349 VanDerWaalsContact OD2-NE2 3.14Å; E347-Q349 PolarHBondContact O-N 3.43Å; Q349-S351 PolarHBondContact O-N 2.96Å
350	N	98.3	Very high	95.4	Very high	6 Å²	6	76.1 Å²	76.1	3%	0.032	36%	0.362	C	S	.	.			trans	-93.2	74.8	-178.2	-57.3	-89.1	0	0	0	110.2	R224 D225 I227 N348 L355	R224-N350 PolarHBondContact N-OD1 3.05Å; R224-N350 PolarHBondContact O-ND2 2.8Å; D225-N350 PolarHBondContact O-ND2 3.44Å; I227-N350 WeakPolarHBondContact CB-ND2 3.35Å; I227-N350 HydrophobicContact CD1-CB 4.43Å; I227-N350 HydrophobicContact CG1-CB 4.4Å; I227-N350 PolarHBondContact N-ND2 3.11Å; N348-N350 PolarHBondContact O-N 2.82Å; N348-N350 WeakPolarHBondContact OD1-CB 3.42Å; N348-N350 PolarHBondContact OD1-N 2.77Å; N348-N350 PolarHBondContact OD1-ND2 2.75Å; N350-L355 HydrophobicContact CB-CD1 4.09Å; N350-L355 HydrophobicContact CB-CD2 3.85Å; N350-L355 HydrophobicContact CB-CG 4.03Å
351	S	97.9	Very high	95.5	Very high	61 Å²	61	77.1 Å²	77.1	43%	0.427	37%	0.368	S	S	.	.			trans	-57.7	148.5	177.8	76.6	0	0	0	0	111.1	Q349 Q353 Y354 L355	Q349-S351 PolarHBondContact O-N 2.96Å; S351-Q353 PolarHBondContact O-N 3.12Å; S351-Q353 VanDerWaalsContact O-N 3.16Å; S351-Y354 WeakPolarHBondContact O-CA 3.42Å; S351-Y354 WeakPolarHBondContact O-CB 3.37Å; S351-Y354 PolarHBondContact O-N 2.89Å; S351-Y354 WeakPolarHBondContact OG-CB 3.37Å; S351-Y354 PolarHBondContact OG-N 3.29Å; S351-L355 PolarHBondContact O-N 3.07Å
352	R	97.3	Very high	95.6	Very high	180 Å²	180	71 Å²	71	68%	0.679	34%	0.335	S	S	*	.	H	α-helix	trans	-53.9	-38.7	177.6	-174.1	170.1	179.7	165.2	2.2	112.6	Y354 L355 D356	R352-Y354 PolarHBondContact O-N 3.32Å; R352-L355 PolarHBondContact O-N 3.44Å; R352-D356 VanDerWaalsContact O-CB 3.29Å; R352-D356 WeakPolarHBondContact O-CB 3.16Å; R352-D356 VanDerWaalsContact O-CG 3.23Å; R352-D356 PolarHBondContact O-N 3.3Å
353	Q	98	Very high	95.9	Very high	138 Å²	138	73 Å²	73	65%	0.645	34%	0.343	S	S	*	.	H	α-helix	trans	-61.9	-42.2	175.4	-176.5	-178.8	3.8	0	0	112.2	S351 Q357	S351-Q353 PolarHBondContact O-N 3.12Å; S351-Q353 VanDerWaalsContact O-N 3.16Å; Q353-Q357 VanDerWaalsContact O-CG 3.27Å; Q353-Q357 WeakPolarHBondContact O-CG 3.21Å; Q353-Q357 PolarHBondContact O-N 2.9Å
354	Y	98.3	Very high	96.4	Very high	37 Å²	37	74.9 Å²	74.9	15%	0.145	34%	0.344	C	S	.	.	H	α-helix	trans	-65	-46.5	177.6	175.6	-108.7	0	0	0	111.4	P222 R224 S351 R352 D356 Q357 I358	P222-Y354 PolarHBondContact O-OH 3.06Å; R224-Y354 HydrophobicContact CG-CE1 3.91Å; S351-Y354 WeakPolarHBondContact O-CA 3.42Å; S351-Y354 WeakPolarHBondContact O-CB 3.37Å; S351-Y354 PolarHBondContact O-N 2.89Å; S351-Y354 WeakPolarHBondContact OG-CB 3.37Å; S351-Y354 PolarHBondContact OG-N 3.29Å; R352-Y354 PolarHBondContact O-N 3.32Å; Y354-D356 VanDerWaalsContact C-N 3.34Å; Y354-D356 PolarHBondContact O-N 3.37Å; Y354-Q357 WeakPolarHBondContact O-CB 3.45Å; Y354-Q357 PolarHBondContact O-N 3.13Å; Y354-I358 HydrophobicContact CD1-CD1 3.85Å; Y354-I358 HydrophobicContact CE1-CD1 3.32Å; Y354-I358 HydrophobicContact CE1-CG1 4.47Å; Y354-I358 HydrophobicContact CE2-CD1 4.09Å; Y354-I358 HydrophobicContact CE2-CG1 4.5Å; Y354-I358 HydrophobicContact CG-CD1 4.43Å; Y354-I358 VanDerWaalsContact CZ-CD1 3.47Å; Y354-I358 PolarHBondContact O-N 2.92Å
355	L	98.5	Very high	96.9	Very high	6 Å²	6	74.2 Å²	74.2	3%	0.031	34%	0.338	C	S	.	.	H	α-helix	trans	-64	-39.5	177.5	-63.6	-177.3	0	0	0	112.3	L223 I227 L235 N350 S351 R352 Q357 I358 R359	L223-L355 HydrophobicContact CD2-CD2 3.96Å; I227-L355 HydrophobicContact CD1-CD2 4.43Å; L235-L355 HydrophobicContact CD2-CD2 4.05Å; N350-L355 HydrophobicContact CB-CD1 4.09Å; N350-L355 HydrophobicContact CB-CD2 3.85Å; N350-L355 HydrophobicContact CB-CG 4.03Å; S351-L355 PolarHBondContact O-N 3.07Å; R352-L355 PolarHBondContact O-N 3.44Å; L355-Q357 VanDerWaalsContact C-N 3.32Å; L355-Q357 PolarHBondContact O-N 2.89Å; L355-I358 HydrophobicContact CD2-CD1 4.47Å; L355-I358 PolarHBondContact O-N 3.46Å; L355-R359 WeakPolarHBondContact O-CB 3.38Å; L355-R359 PolarHBondContact O-N 3.15Å
356	D	98	Very high	97.3	Very high	37 Å²	37	62.2 Å²	62.2	20%	0.198	29%	0.293	C	S	.	.	H	α-helix	trans	-63.5	-37.3	175.2	-78.4	-32.1	0	0	0	112	R352 Y354 R359 Q360	R352-D356 VanDerWaalsContact O-CB 3.29Å; R352-D356 WeakPolarHBondContact O-CB 3.16Å; R352-D356 VanDerWaalsContact O-CG 3.23Å; R352-D356 PolarHBondContact O-N 3.3Å; Y354-D356 VanDerWaalsContact C-N 3.34Å; Y354-D356 PolarHBondContact O-N 3.37Å; D356-R359 IonicContact OD1-CZ 3.45Å; D356-R359 IonicContact OD1-NE 2.87Å; D356-R359 IonicContact OD1-NH1 3.86Å; D356-R359 IonicContact OD1-NH2 3.85Å; D356-R359 PolarHBondContact OD1-NH2 3.13Å; D356-Q360 WeakPolarHBondContact O-CB 3.2Å; D356-Q360 VanDerWaalsContact O-CG 3.23Å; D356-Q360 WeakPolarHBondContact O-CG 2.73Å; D356-Q360 PolarHBondContact O-N 3.07Å
357	Q	97.9	Very high	97.3	Very high	95 Å²	95	66 Å²	66	44%	0.444	31%	0.307	S	S	.	.	H	α-helix	trans	-65.5	-48	174.8	-75.1	169.6	0.7	0	0	111.6	Q353 Y354 L355 R359 Q360 T361	Q353-Q357 VanDerWaalsContact O-CG 3.27Å; Q353-Q357 WeakPolarHBondContact O-CG 3.21Å; Q353-Q357 PolarHBondContact O-N 2.9Å; Y354-Q357 WeakPolarHBondContact O-CB 3.45Å; Y354-Q357 PolarHBondContact O-N 3.13Å; L355-Q357 VanDerWaalsContact C-N 3.32Å; L355-Q357 PolarHBondContact O-N 2.89Å; Q357-R359 VanDerWaalsContact C-N 3.33Å; Q357-R359 PolarHBondContact O-N 2.97Å; Q357-Q360 PolarHBondContact O-N 3.3Å; Q357-T361 PolarHBondContact O-N 3.35Å; Q357-T361 PolarHBondContact O-OG1 3.24Å
358	I	98	Very high	97.2	Very high	4 Å²	4	63.2 Å²	63.2	2%	0.021	30%	0.295	C	S	.	.	H	α-helix	trans	-56.1	-50	175.9	-70.2	165	0	0	0	110.4	M206 V221 P222 L235 Y354 L355 Q360 T361 I362	M206-I358 HydrophobicContact SD-CB 4.43Å; M206-I358 HydrophobicContact SD-CG1 4.32Å; M206-I358 HydrophobicContact SD-CG2 4.27Å; V221-I358 HydrophobicContact CG1-CG2 3.73Å; P222-I358 WeakPolarHBondContact O-CD1 3.44Å; L235-I358 HydrophobicContact CD1-CG2 4.44Å; Y354-I358 HydrophobicContact CD1-CD1 3.85Å; Y354-I358 HydrophobicContact CE1-CD1 3.32Å; Y354-I358 HydrophobicContact CE1-CG1 4.47Å; Y354-I358 HydrophobicContact CE2-CD1 4.09Å; Y354-I358 HydrophobicContact CE2-CG1 4.5Å; Y354-I358 HydrophobicContact CG-CD1 4.43Å; Y354-I358 VanDerWaalsContact CZ-CD1 3.47Å; Y354-I358 PolarHBondContact O-N 2.92Å; L355-I358 HydrophobicContact CD2-CD1 4.47Å; L355-I358 PolarHBondContact O-N 3.46Å; I358-Q360 VanDerWaalsContact C-N 3.3Å; I358-Q360 PolarHBondContact O-N 3.22Å; I358-T361 PolarHBondContact O-N 2.94Å; I358-I362 HydrophobicContact CG2-CD1 3.54Å; I358-I362 HydrophobicContact CG2-CG1 4.3Å; I358-I362 WeakPolarHBondContact O-CG1 3.37Å; I358-I362 PolarHBondContact O-N 2.99Å
359	R	97.7	Very high	96.8	Very high	53 Å²	53	62 Å²	62	20%	0.2	29%	0.289	C	S	.	.	H	α-helix	trans	-57.2	-44.1	178.9	-175.4	176.9	62.9	-168.6	-2.6	111.9	H234 L235 L355 D356 Q357 I362 F363	H234-R359 PolarHBondContact NE2-NH1 2.96Å; L235-R359 HydrophobicContact CD1-CB 3.89Å; L355-R359 WeakPolarHBondContact O-CB 3.38Å; L355-R359 PolarHBondContact O-N 3.15Å; D356-R359 IonicContact OD1-CZ 3.45Å; D356-R359 IonicContact OD1-NE 2.87Å; D356-R359 IonicContact OD1-NH1 3.86Å; D356-R359 IonicContact OD1-NH2 3.85Å; D356-R359 PolarHBondContact OD1-NH2 3.13Å; Q357-R359 VanDerWaalsContact C-N 3.33Å; Q357-R359 PolarHBondContact O-N 2.97Å; R359-I362 PolarHBondContact O-N 3.07Å; R359-F363 HydrophobicContact CG-CD1 4.23Å; R359-F363 HydrophobicContact CG-CD2 4.48Å; R359-F363 HydrophobicContact CG-CE1 3.77Å; R359-F363 HydrophobicContact CG-CE2 4.07Å; R359-F363 HydrophobicContact CG-CZ 3.68Å; R359-F363 WeakPolarHBondContact O-CB 3.48Å; R359-F363 VanDerWaalsContact O-CD1 3.25Å; R359-F363 WeakPolarHBondContact O-CD1 3.46Å; R359-F363 VanDerWaalsContact O-CG 3.3Å; R359-F363 WeakPolarHBondContact O-CG 3.49Å; R359-F363 PolarHBondContact O-N 2.95Å
360	Q	97.5	Very high	95.6	Very high	112 Å²	112	65.1 Å²	65.1	52%	0.523	31%	0.308	S	S	.	.	H	α-helix	trans	-62.2	-46.9	178.1	-75.9	171.6	19.4	0	0	111.6	D356 Q357 I358 I362 F363 E364	D356-Q360 WeakPolarHBondContact O-CB 3.2Å; D356-Q360 VanDerWaalsContact O-CG 3.23Å; D356-Q360 WeakPolarHBondContact O-CG 2.73Å; D356-Q360 PolarHBondContact O-N 3.07Å; Q357-Q360 PolarHBondContact O-N 3.3Å; I358-Q360 VanDerWaalsContact C-N 3.3Å; I358-Q360 PolarHBondContact O-N 3.22Å; Q360-I362 PolarHBondContact O-N 3.17Å; Q360-F363 PolarHBondContact O-N 3.09Å; Q360-E364 WeakPolarHBondContact O-CG 3.24Å; Q360-E364 PolarHBondContact O-N 2.59Å
361	T	97.4	Very high	94.6	Very high	34 Å²	34	71 Å²	71	21%	0.209	34%	0.335	C	S	.	.	H	α-helix	trans	-62.6	-41.9	178.1	-58.4	0	0	0	0	112.1	M206 Q357 I358 F363 E364 N365	M206-T361 HydrophobicContact CE-CG2 3.58Å; M206-T361 HydrophobicContact CG-CG2 4.02Å; M206-T361 VanDerWaalsContact SD-CB 3.59Å; M206-T361 HydrophobicContact SD-CG2 3.64Å; Q357-T361 PolarHBondContact O-N 3.35Å; Q357-T361 PolarHBondContact O-OG1 3.24Å; I358-T361 PolarHBondContact O-N 2.94Å; T361-F363 VanDerWaalsContact C-N 3.31Å; T361-F363 PolarHBondContact O-N 2.9Å; T361-E364 PolarHBondContact O-N 3.09Å; T361-N365 PolarHBondContact O-N 3.19Å
362	I	97.4	Very high	93.5	Very high	1 Å²	1	69.2 Å²	69.2	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-60.4	-43.7	174.6	-67.4	165.2	0	0	0	110.6	L219 V221 V239 I358 R359 Q360 E364 N365 L366	L219-I362 HydrophobicContact CD1-CG2 4.2Å; L219-I362 HydrophobicContact CD2-CG2 4.45Å; V221-I362 HydrophobicContact CB-CD1 4.33Å; V221-I362 HydrophobicContact CG1-CD1 4.14Å; V221-I362 HydrophobicContact CG2-CD1 3.62Å; V239-I362 HydrophobicContact CG1-CD1 4.36Å; V239-I362 HydrophobicContact CG1-CG2 4.1Å; V239-I362 HydrophobicContact CG2-CD1 3.92Å; V239-I362 HydrophobicContact CG2-CG2 4.39Å; I358-I362 HydrophobicContact CG2-CD1 3.54Å; I358-I362 HydrophobicContact CG2-CG1 4.3Å; I358-I362 WeakPolarHBondContact O-CG1 3.37Å; I358-I362 PolarHBondContact O-N 2.99Å; R359-I362 PolarHBondContact O-N 3.07Å; Q360-I362 PolarHBondContact O-N 3.17Å; I362-E364 VanDerWaalsContact C-N 3.29Å; I362-E364 PolarHBondContact O-N 3.26Å; I362-N365 PolarHBondContact O-N 3.41Å; I362-L366 HydrophobicContact CG2-CD1 4.16Å; I362-L366 HydrophobicContact CG2-CG 4.49Å; I362-L366 WeakPolarHBondContact O-CG 3.43Å; I362-L366 PolarHBondContact O-N 3.48Å
363	F	97.4	Very high	92.6	Very high	50 Å²	50	61 Å²	61	22%	0.219	29%	0.294	C	S	.	.	H	α-helix	trans	-67.3	-31.4	178.9	-73.7	13.5	0	0	0	112.2	P238 V239 Q242 R359 Q360 T361 L366 K367	P238-F363 HydrophobicContact CB-CZ 4.05Å; V239-F363 HydrophobicContact CG2-CE1 4.42Å; Q242-F363 HydrophobicContact CB-CD1 4.3Å; Q242-F363 HydrophobicContact CB-CE1 3.93Å; Q242-F363 HydrophobicContact CB-CZ 4.37Å; Q242-F363 HydrophobicContact CG-CD1 4.07Å; Q242-F363 HydrophobicContact CG-CD2 4.49Å; Q242-F363 HydrophobicContact CG-CE1 3.53Å; Q242-F363 HydrophobicContact CG-CE2 3.98Å; Q242-F363 HydrophobicContact CG-CZ 3.47Å; Q242-F363 VanDerWaalsContact CG-CZ 3.47Å; R359-F363 HydrophobicContact CG-CD1 4.23Å; R359-F363 HydrophobicContact CG-CD2 4.48Å; R359-F363 HydrophobicContact CG-CE1 3.77Å; R359-F363 HydrophobicContact CG-CE2 4.07Å; R359-F363 HydrophobicContact CG-CZ 3.68Å; R359-F363 WeakPolarHBondContact O-CB 3.48Å; R359-F363 VanDerWaalsContact O-CD1 3.25Å; R359-F363 WeakPolarHBondContact O-CD1 3.46Å; R359-F363 VanDerWaalsContact O-CG 3.3Å; R359-F363 WeakPolarHBondContact O-CG 3.49Å; R359-F363 PolarHBondContact O-N 2.95Å; Q360-F363 PolarHBondContact O-N 3.09Å; T361-F363 VanDerWaalsContact C-N 3.31Å; T361-F363 PolarHBondContact O-N 2.9Å; F363-L366 HydrophobicContact CD1-CD1 4.48Å; F363-K367 VanDerWaalsContact O-CG 3.26Å; F363-K367 WeakPolarHBondContact O-CG 3.03Å; F363-K367 PolarHBondContact O-N 3.09Å
364	E	96.3	Very high	91.6	Very high	118 Å²	118	59.2 Å²	59.2	55%	0.551	30%	0.297	S	S	*	.	H	α-helix	trans	-68.2	-43.8	171.9	-73.1	175.3	177.7	0	0	111.5	Q360 T361 I362 L366 K367 M368	Q360-E364 WeakPolarHBondContact O-CG 3.24Å; Q360-E364 PolarHBondContact O-N 2.59Å; T361-E364 PolarHBondContact O-N 3.09Å; I362-E364 VanDerWaalsContact C-N 3.29Å; I362-E364 PolarHBondContact O-N 3.26Å; E364-L366 PolarHBondContact O-N 3.12Å; E364-K367 PolarHBondContact O-N 3.21Å; E364-M368 PolarHBondContact O-N 3.13Å
365	N	96	Very high	90.4	Very high	25 Å²	25	60 Å²	60	13%	0.134	31%	0.306	C	S	.	.	H	α-helix	trans	-60	-44.5	174.1	-73.1	-14.6	0	0	0	111.6	Y216 L219 T361 I362 K367 M368	Y216-N365 HydrophobicContact CD1-CB 4.05Å; L219-N365 HydrophobicContact CD2-CB 4.03Å; T361-N365 PolarHBondContact O-N 3.19Å; I362-N365 PolarHBondContact O-N 3.41Å; N365-K367 VanDerWaalsContact C-N 3.29Å; N365-K367 PolarHBondContact O-N 3.3Å; N365-M368 VanDerWaalsContact O-CB 3.26Å; N365-M368 WeakPolarHBondContact O-CB 3.31Å; N365-M368 PolarHBondContact O-N 2.82Å
366	L	95.5	Very high	89.1	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.005	34%	0.343	C	S	.	.	H	α-helix	trans	-61.4	-34.6	177.2	-76.7	173.2	0	0	0	113	M188 L219 Q242 V243 F246 I362 F363 E364 M368 L369	M188-L366 HydrophobicContact CE-CD2 4.38Å; M188-L366 HydrophobicContact SD-CD2 4.48Å; L219-L366 HydrophobicContact CD1-CD1 4.5Å; L219-L366 HydrophobicContact CD1-CD2 3.71Å; L219-L366 HydrophobicContact CD1-CG 4.06Å; Q242-L366 HydrophobicContact CB-CD1 3.64Å; V243-L366 HydrophobicContact CG2-CD1 4.08Å; V243-L366 HydrophobicContact CG2-CD2 4.2Å; F246-L366 HydrophobicContact CB-CD2 4.39Å; F246-L366 WeakPolarHBondContact CD1-O 3.35Å; F246-L366 HydrophobicContact CD2-CB 4.42Å; F246-L366 HydrophobicContact CG-CB 4.43Å; I362-L366 HydrophobicContact CG2-CD1 4.16Å; I362-L366 HydrophobicContact CG2-CG 4.49Å; I362-L366 WeakPolarHBondContact O-CG 3.43Å; I362-L366 PolarHBondContact O-N 3.48Å; F363-L366 HydrophobicContact CD1-CD1 4.48Å; E364-L366 PolarHBondContact O-N 3.12Å; L366-M368 PolarHBondContact O-N 3.28Å; L366-L369 HydrophobicContact CD2-CD1 3.75Å; L366-L369 VanDerWaalsContact O-CB 3.27Å; L366-L369 WeakPolarHBondContact O-CB 3.41Å; L366-L369 VanDerWaalsContact O-CG 3.28Å; L366-L369 WeakPolarHBondContact O-CG 3.37Å; L366-L369 PolarHBondContact O-N 3.3Å; L366-L369 VanDerWaalsContact O-N 3.13Å
367	K	94.4	Very high	87.8	Confident	142 Å²	142	75 Å²	75	62%	0.617	38%	0.378	S	S	*	.	H	α-helix	trans	-67.8	-16.4	175.3	-72.1	167.2	-170.1	172	0	113.5	F246 F363 E364 N365 L369	F246-K367 HydrophobicContact CZ-CG 4.35Å; F363-K367 VanDerWaalsContact O-CG 3.26Å; F363-K367 WeakPolarHBondContact O-CG 3.03Å; F363-K367 PolarHBondContact O-N 3.09Å; E364-K367 PolarHBondContact O-N 3.21Å; N365-K367 VanDerWaalsContact C-N 3.29Å; N365-K367 PolarHBondContact O-N 3.3Å; K367-L369 PolarHBondContact O-N 2.83Å
368	M	93.7	Very high	86.7	Confident	97 Å²	97	74.7 Å²	74.7	48%	0.478	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-11.1	174.8	-58.7	-59.6	-63.5	0	0	112.4	Y216 E364 N365 L366 N370	Y216-M368 HydrophobicContact CD1-CB 4.06Å; Y216-M368 HydrophobicContact CD1-CG 4.25Å; Y216-M368 HydrophobicContact CD2-CB 3.46Å; Y216-M368 VanDerWaalsContact CD2-CB 3.46Å; Y216-M368 HydrophobicContact CD2-CG 4.26Å; Y216-M368 HydrophobicContact CE1-CB 4.1Å; Y216-M368 HydrophobicContact CE1-CG 3.89Å; Y216-M368 HydrophobicContact CE2-CB 3.49Å; Y216-M368 VanDerWaalsContact CE2-CB 3.49Å; Y216-M368 HydrophobicContact CE2-CE 4.1Å; Y216-M368 HydrophobicContact CE2-CG 3.88Å; Y216-M368 HydrophobicContact CG-CB 3.75Å; Y216-M368 HydrophobicContact CG-CG 4.43Å; E364-M368 PolarHBondContact O-N 3.13Å; N365-M368 VanDerWaalsContact O-CB 3.26Å; N365-M368 WeakPolarHBondContact O-CB 3.31Å; N365-M368 PolarHBondContact O-N 2.82Å; L366-M368 PolarHBondContact O-N 3.28Å; M368-N370 PolarHBondContact O-N 2.8Å
369	L	89.3	Confident	85.5	Confident	19 Å²	19	82.2 Å²	82.2	10%	0.099	42%	0.417	C	S	.	.			trans	-72.8	116.4	172.9	-55.8	174.5	0	0	0	109.3	M188 Y217 F246 L366 K367	M188-L369 HydrophobicContact CE-CD1 3.61Å; M188-L369 HydrophobicContact CE-CD2 4.32Å; Y217-L369 HydrophobicContact CD1-CD2 4.43Å; Y217-L369 HydrophobicContact CD2-CD2 4.2Å; Y217-L369 HydrophobicContact CE1-CD2 3.98Å; Y217-L369 HydrophobicContact CE2-CD2 3.79Å; F246-L369 HydrophobicContact CB-CD1 4.18Å; L366-L369 HydrophobicContact CD2-CD1 3.75Å; L366-L369 VanDerWaalsContact O-CB 3.27Å; L366-L369 WeakPolarHBondContact O-CB 3.41Å; L366-L369 VanDerWaalsContact O-CG 3.28Å; L366-L369 WeakPolarHBondContact O-CG 3.37Å; L366-L369 PolarHBondContact O-N 3.3Å; L366-L369 VanDerWaalsContact O-N 3.13Å; K367-L369 PolarHBondContact O-N 2.83Å
370	N	73.4	Confident	84.4	Confident	152 Å²	152	83 Å²	83	81%	0.813	43%	0.428	S	S	*	.			trans	-71.7	-32.2	-177	-69.1	-46.2	0	0	0	113.2	M368	M368-N370 PolarHBondContact O-N 2.8Å
371	H	75.7	Confident	83.4	Confident	128 Å²	128	81.3 Å²	81.3	59%	0.593	43%	0.427	S	S	*	.	S	Bend	trans	-170	163	179.5	49.1	-82.6	0	0	0	109
372	A	76.2	Confident	82.5	Confident	25 Å²	25	83.9 Å²	83.9	21%	0.207	45%	0.451	C	S	.	.			trans	-65.4	123.1	167.6	0	0	0	0	0	109.2	Q248	Q248-A372 HydrophobicContact CB-CB 4.32Å; Q248-A372 HydrophobicContact CG-CB 4.47Å
373	P	76.8	Confident	81.4	Confident	6 Å²	6	85.7 Å²	85.7	4%	0.039	46%	0.461	C	S	.	.			trans	-64.3	143.9	-174.5	24.1	-32.9	0	0	0	111.5	R163 D185 Y217 Y247	R163-P373 WeakPolarHBondContact CD-O 3.44Å; R163-P373 HydrophobicContact CG-CG 4.1Å; R163-P373 PolarHBondContact NH1-O 2.95Å; D185-P373 HydrophobicContact CB-CB 4.03Å; D185-P373 HydrophobicContact CB-CG 3.97Å; D185-P373 VanDerWaalsContact O-CG 3.31Å; D185-P373 WeakPolarHBondContact O-CG 3.41Å; D185-P373 VanDerWaalsContact OD2-CB 3.3Å; D185-P373 WeakPolarHBondContact OD2-CB 3.38Å; Y217-P373 HydrophobicContact CE1-CG 3.9Å; Y217-P373 WeakPolarHBondContact OH-CD 3.49Å; Y247-P373 HydrophobicContact CE2-CG 3.99Å
374	S	77.1	Confident	79.9	Confident	102 Å²	102	86 Å²	86	71%	0.713	47%	0.465	S	S	*	.			trans	-117.6	145	178.8	65.1	0	0	0	0	110.8
375	V	74.7	Confident	78.7	Confident	54 Å²	54	82.6 Å²	82.6	33%	0.327	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-95	134.9	-179.8	-171.7	0	0	0	0	109.7	P162 R186	P162-V375 HydrophobicContact CB-CG2 3.7Å; R186-V375 HydrophobicContact CG-CG2 4.46Å; R186-V375 VanDerWaalsContact NE-CG2 3.33Å
376	Q	70.7	Confident	77	Confident	175 Å²	175	87.2 Å²	87.2	82%	0.818	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-69.8	154.7	171	-67.4	-173.1	-11.3	0	0	110.7	H378	Q376-H378 PolarHBondContact O-N 2.83Å; Q376-H378 PolarHBondContact O-ND1 3.29Å; Q376-H378 VanDerWaalsContact O-ND1 3.11Å
377	I	71.4	Confident	75	Confident	181 Å²	181	91 Å²	91	93%	0.928	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-59.3	125	176	-59.8	173.9	0	0	0	108.6
378	H	73.1	Confident	72.6	Confident	90 Å²	90	90.8 Å²	90.8	42%	0.417	50%	0.499	S	S	.	.			trans	-143.8	160	177.6	65.9	-73.7	0	0	0	109.6	Q376 V380	Q376-H378 PolarHBondContact O-N 2.83Å; Q376-H378 PolarHBondContact O-ND1 3.29Å; Q376-H378 VanDerWaalsContact O-ND1 3.11Å; H378-V380 PolarHBondContact O-N 3.14Å
379	D	73	Confident	69.8	Low	161 Å²	161	97 Å²	97	86%	0.861	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-68.5	123.7	172.7	-67.5	-34.8	0	0	0	109.5
380	V	74.9	Confident	67.3	Low	71 Å²	71	101.2 Å²	101.2	43%	0.43	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-79.6	123.8	177.1	-176.9	0	0	0	0	108.2	K159 H378	K159-V380 HydrophobicContact CB-CG1 3.85Å; K159-V380 HydrophobicContact CG-CG1 4.47Å; K159-V380 WeakPolarHBondContact O-CG1 3.47Å; H378-V380 PolarHBondContact O-N 3.14Å
381	P	77.8	Confident	65.6	Low	76 Å²	76	101.3 Å²	101.3	49%	0.494	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-58	149	173.4	-22	32.7	0	0	0	111.3
382	A	77.3	Confident	63.6	Low	87 Å²	87	104.3 Å²	104.3	72%	0.719	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-56.5	149.6	-179.9	0	0	0	0	0	112.9	K159	K159-A382 PolarHBondContact NZ-O 2.71Å
383	D	74.4	Confident	61.6	Low	39 Å²	39	106.7 Å²	106.7	21%	0.209	58%	0.579	C	S	.	*	P	Polyproline II helix	trans	-65.4	149.3	172.1	-78.3	0.9	0	0	0	111.1	N120 Y160	N120-D383 PolarHBondContact ND2-OD2 3.48Å; N120-D383 PolarHBondContact OD1-OD2 3.46Å; Y160-D383 WeakPolarHBondContact CE2-OD1 3.47Å; Y160-D383 VanDerWaalsContact CZ-OD1 3.28Å; Y160-D383 PolarHBondContact OH-OD1 3.16Å; Y160-D383 PolarHBondContact OH-OD2 3.17Å; Y160-D383 VanDerWaalsContact OH-OD2 3.1Å
384	L	66	Low	59.6	Low	58 Å²	58	112.1 Å²	112.1	30%	0.304	61%	0.608	S	S	.	*	S	Bend	trans	-73.1	-44	179	-179.8	67.1	0	0	0	111.9	Y51 D57 L112	Y51-L384 HydrophobicContact CE1-CD2 4.33Å; Y51-L384 HydrophobicContact CE2-CD2 4.28Å; Y51-L384 WeakPolarHBondContact OH-CD2 3.26Å; D57-L384 VanDerWaalsContact OD1-CD1 3.28Å; D57-L384 WeakPolarHBondContact OD1-CD1 3.35Å; L112-L384 HydrophobicContact CD2-CD2 3.53Å; L112-L384 HydrophobicContact CG-CD2 3.74Å
385	L	71.5	Confident	57.9	Low	45 Å²	45	111.3 Å²	111.3	24%	0.236	61%	0.607	C	S	.	*	S	Bend	trans	-103.3	121.4	177.3	-62.5	171.7	0	0	0	107.3	Y51 Q113 T116 Y387	Y51-L385 HydrophobicContact CD1-CD1 4.47Å; Q113-L385 HydrophobicContact CB-CD1 4.3Å; Q113-L385 HydrophobicContact CG-CD1 3.7Å; T116-L385 HydrophobicContact CG2-CB 4.36Å; L385-Y387 HydrophobicContact CB-CD2 4.4Å; L385-Y387 HydrophobicContact CB-CE2 3.8Å; L385-Y387 WeakPolarHBondContact O-CD2 3.38Å; L385-Y387 PolarHBondContact O-N 3.38Å
386	T	59.3	Low	56	Low	123 Å²	123	117.6 Å²	117.6	76%	0.755	63%	0.633	S	S	*	*			trans	-70	113.6	170.2	51	0	0	0	0	108.5	D388	T386-D388 VanDerWaalsContact C-N 3.34Å
387	Y	54.2	Low	54.4	Low	80 Å²	80	117 Å²	117	31%	0.314	63%	0.63	S	S	.	*			trans	-98.2	15.8	167.7	-67.4	-78.5	0	0	0	112.2	T116 Q117 N120 I122 L385 R389	T116-Y387 HydrophobicContact CG2-CE2 3.74Å; Q117-Y387 VanDerWaalsContact CG-OH 3.23Å; Q117-Y387 WeakPolarHBondContact CG-OH 3.48Å; N120-Y387 HydrophobicContact CB-CD2 4.25Å; I122-Y387 HydrophobicContact CD1-CD1 3.35Å; I122-Y387 HydrophobicContact CD1-CD2 3.97Å; I122-Y387 HydrophobicContact CD1-CE1 3.24Å; I122-Y387 HydrophobicContact CD1-CE2 3.87Å; I122-Y387 HydrophobicContact CD1-CG 3.71Å; L385-Y387 HydrophobicContact CB-CD2 4.4Å; L385-Y387 HydrophobicContact CB-CE2 3.8Å; L385-Y387 WeakPolarHBondContact O-CD2 3.38Å; L385-Y387 PolarHBondContact O-N 3.38Å; Y387-R389 PolarHBondContact O-N 3.13Å
388	D	43.5	Very low	52.6	Low	137 Å²	137	119.2 Å²	119.2	73%	0.733	63%	0.627	S	S	*	*			trans	-51.4	107.7	172.1	-82.2	-23.7	0	0	0	107.7	T386 T390	T386-D388 VanDerWaalsContact C-N 3.34Å; D388-T390 PolarHBondContact O-N 3.43Å
389	R	35.3	Very low	50.6	Low	227 Å²	227	117.3 Å²	117.3	86%	0.857	63%	0.632	S	S	*	*			trans	-63.7	91.7	156.6	-73.7	-176.4	175.9	-171.7	-1.1	103.6	Y387 D391	Y387-R389 PolarHBondContact O-N 3.13Å; R389-D391 PolarHBondContact O-N 3.41Å
390	T	36.8	Very low	48.7	Very low	109 Å²	109	114 Å²	114	67%	0.669	62%	0.619	S	S	*	*			trans	-55.8	104.4	159.3	38.2	0	0	0	0	105.1	D388 E392	D388-T390 PolarHBondContact O-N 3.43Å; T390-E392 PolarHBondContact O-N 2.83Å; T390-E392 VanDerWaalsContact O-N 3.11Å
391	D	37.6	Very low	47.1	Very low	153 Å²	153	117 Å²	117	82%	0.818	63%	0.628	S	S	*	*	S	Bend	trans	-49.3	120.9	167.5	-72.1	-41.3	0	0	0	106.3	R389	R389-D391 PolarHBondContact O-N 3.41Å
392	E	33.2	Very low	45.8	Very low	192 Å²	192	120.9 Å²	120.9	90%	0.897	64%	0.64	S	S	*	*	S	Bend	trans	72	76.3	-177.8	-52.7	-177.2	170.8	0	0	115.4	T390 D394	T390-E392 PolarHBondContact O-N 2.83Å; T390-E392 VanDerWaalsContact O-N 3.11Å; E392-D394 PolarHBondContact O-N 3.42Å
393	A	34.9	Very low	44.7	Very low	75 Å²	75	122 Å²	122	62%	0.62	63%	0.633	S	S	*	*			trans	-63.2	122.6	157.4	0	0	0	0	0	109.4
394	D	35.5	Very low	43.9	Very low	120 Å²	120	124.1 Å²	124.1	64%	0.642	64%	0.639	S	S	*	*			trans	-52.2	136.8	172.6	-153	-21.7	0	0	0	109.6	E392 E396 E397	E392-D394 PolarHBondContact O-N 3.42Å; D394-E396 PolarHBondContact O-N 3.06Å; D394-E397 PolarHBondContact O-N 3.11Å
395	A	41.4	Very low	44.1	Very low	85 Å²	85	123.8 Å²	123.8	70%	0.702	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-15.5	-170.3	0	0	0	0	0	113.3
396	E	34.9	Very low	43.8	Very low	185 Å²	185	129.2 Å²	129.2	86%	0.864	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-12.5	178.5	-62.4	-168.9	170.5	0	0	114.1	D394 R398	D394-E396 PolarHBondContact O-N 3.06Å; E396-R398 VanDerWaalsContact C-N 3.33Å; E396-R398 PolarHBondContact O-N 3.48Å
397	E	36.5	Very low	44	Very low	163 Å²	163	126.4 Å²	126.4	76%	0.762	64%	0.643	S	S	*	*			trans	-92.2	13.9	179.8	-116.3	-176.1	-163.2	0	0	113.9	D394 G399	D394-E397 PolarHBondContact O-N 3.11Å; E397-G399 PolarHBondContact O-N 2.84Å
398	R	32.9	Very low	44.6	Very low	227 Å²	227	126 Å²	126	86%	0.857	64%	0.644	S	S	*	*			trans	-67	71.6	161.8	-75.5	-174.4	-179.5	176.7	0.8	109.8	E396	E396-R398 VanDerWaalsContact C-N 3.33Å; E396-R398 PolarHBondContact O-N 3.48Å
399	G	31	Very low	45.5	Very low	51 Å²	51	121.3 Å²	121.3	53%	0.526	62%	0.624	S	S	.	*			trans	-54.5	141.3	149.1	0	0	0	0	0	107.8	E397 E401	E397-G399 PolarHBondContact O-N 2.84Å; G399-E401 PolarHBondContact O-N 2.83Å
400	P	33.7	Very low	46.2	Very low	92 Å²	92	115.6 Å²	115.6	60%	0.597	62%	0.617	S	S	*	*			trans	-59.4	137.5	-176.8	27.6	-33.2	0	0	0	108.3	E402	P400-E402 HydrophobicContact CB-CG 3.81Å; P400-E402 HydrophobicContact CG-CG 3.7Å; P400-E402 VanDerWaalsContact CG-OE1 3.3Å; P400-E402 WeakPolarHBondContact CG-OE1 3.19Å; P400-E402 PolarHBondContact O-N 2.93Å
401	E	41.2	Very low	47.3	Very low	133 Å²	133	116.8 Å²	116.8	62%	0.621	62%	0.619	S	S	*	*			trans	-64.1	57.2	176.3	-65.4	-176.5	135	0	0	110.9	G399 N403 R406	G399-E401 PolarHBondContact O-N 2.83Å; E401-N403 PolarHBondContact O-N 3.29Å; E401-R406 IonicContact OE1-NH2 3.47Å; E401-R406 PolarHBondContact OE1-NH2 3.17Å; E401-R406 IonicContact OE2-NH2 3.22Å
402	E	50.4	Low	47.7	Very low	157 Å²	157	115.8 Å²	115.8	73%	0.734	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-12.6	-169	-75.8	-176.1	179.2	0	0	114.1	P400	P400-E402 HydrophobicContact CB-CG 3.81Å; P400-E402 HydrophobicContact CG-CG 3.7Å; P400-E402 VanDerWaalsContact CG-OE1 3.3Å; P400-E402 WeakPolarHBondContact CG-OE1 3.19Å; P400-E402 PolarHBondContact O-N 2.93Å
403	N	55.5	Low	48.2	Very low	110 Å²	110	114.4 Å²	114.4	59%	0.588	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	-6.7	-169.1	-70.8	-23.5	0	0	0	114.8	K49 E401	K49-N403 PolarHBondContact N-O 3.18Å; E401-N403 PolarHBondContact O-N 3.29Å
404	Y	55.9	Low	48.6	Very low	85 Å²	85	119.7 Å²	119.7	33%	0.333	61%	0.606	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-154.1	149.1	175	66.5	-81.5	0	0	0	114.2	I46 V47 F48 R406	I46-Y404 HydrophobicContact CG2-CD2 3.81Å; I46-Y404 HydrophobicContact CG2-CG 4.3Å; V47-Y404 CarbonylContact O-C 3.53Å; V47-Y404 WeakPolarHBondContact O-CA 3.27Å; V47-Y404 VanDerWaalsContact O-CB 3.25Å; V47-Y404 WeakPolarHBondContact O-CB 3.46Å; F48-Y404 HydrophobicContact CD1-CG 4.29Å; F48-Y404 HydrophobicContact CE1-CD1 4.18Å; F48-Y404 AromaticContact CE1-CG 3.91Å; F48-Y404 HydrophobicContact CE1-CG 3.91Å; Y404-R406 HydrophobicContact CD2-CG 4.39Å; Y404-R406 HydrophobicContact CE2-CG 3.99Å
405	S	70.4	Confident	49.1	Very low	50 Å²	50	121.9 Å²	121.9	35%	0.35	62%	0.617	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.4	142.8	168.5	62	0	0	0	0	110.7	I46 V47	I46-S405 WeakPolarHBondContact CG2-O 3.27Å; V47-S405 WeakPolarHBondContact CB-OG 3.47Å; V47-S405 PolarHBondContact N-O 3.48Å; V47-S405 PolarHBondContact O-N 2.88Å; V47-S405 VanDerWaalsContact O-N 3.1Å
406	R	65.7	Low	49.3	Very low	160 Å²	160	119.9 Å²	119.9	60%	0.604	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-87.9	148.3	175.4	-68	-174.7	-174.9	173.7	8	110.6	E401 Y404 E408	E401-R406 IonicContact OE1-NH2 3.47Å; E401-R406 PolarHBondContact OE1-NH2 3.17Å; E401-R406 IonicContact OE2-NH2 3.22Å; Y404-R406 HydrophobicContact CD2-CG 4.39Å; Y404-R406 HydrophobicContact CE2-CG 3.99Å; R406-E408 PolarHBondContact O-N 2.97Å
407	P	63.9	Low	49.8	Very low	63 Å²	63	118.1 Å²	118.1	41%	0.409	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-55.5	135.1	169.6	-23.4	31.8	0	0	0	111.4	K43 I46	K43-P407 VanDerWaalsContact O-CA 3.23Å; K43-P407 WeakPolarHBondContact O-CA 3.34Å; K43-P407 VanDerWaalsContact O-CB 3.3Å; K43-P407 WeakPolarHBondContact O-CB 3.14Å; I46-P407 HydrophobicContact CG1-CG 4.13Å
408	E	65.7	Low	50.1	Low	72 Å²	72	118.3 Å²	118.3	34%	0.336	60%	0.602	S	S	.	*	P	Polyproline II helix	trans	-73.3	141.8	175.8	-69.8	174.3	-161.3	0	0	110.2	K43 R406	K43-E408 HydrophobicContact CB-CB 4.36Å; K43-E408 WeakPolarHBondContact CD-OE2 3.4Å; K43-E408 WeakPolarHBondContact CE-OE1 3.34Å; K43-E408 WeakPolarHBondContact CE-OE2 3.49Å; K43-E408 HydrophobicContact CG-CG 4.38Å; K43-E408 IonicContact NZ-OE1 2.71Å; K43-E408 PolarHBondContact NZ-OE1 2.99Å; K43-E408 IonicContact NZ-OE2 3.55Å; K43-E408 PolarHBondContact NZ-OE2 3.11Å; K43-E408 PolarHBondContact O-N 3.39Å; R406-E408 PolarHBondContact O-N 2.97Å
409	A	62.1	Low	50.8	Low	39 Å²	39	110.1 Å²	110.1	32%	0.322	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-72.1	141.5	179.4	0	0	0	0	0	110.5	N411 E412	A409-N411 WeakPolarHBondContact CB-OD1 3.47Å; A409-N411 PolarHBondContact O-N 3.03Å; A409-E412 HydrophobicContact CB-CG 4.15Å; A409-E412 PolarHBondContact N-OE2 3.05Å; A409-E412 PolarHBondContact O-N 2.86Å
410	P	52	Low	51.7	Low	107 Å²	107	115.2 Å²	115.2	70%	0.695	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	-13.6	-177.6	-4.4	5.9	0	0	0	114.9	F413	P410-F413 WeakPolarHBondContact O-CD2 3.34Å; P410-F413 VanDerWaalsContact O-CE2 3.28Å; P410-F413 WeakPolarHBondContact O-CE2 3.29Å
411	N	59.1	Low	52.5	Low	134 Å²	134	117.7 Å²	117.7	72%	0.717	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	8.6	-179.6	58.9	-42.3	0	0	0	113.6	A409 F413	A409-N411 WeakPolarHBondContact CB-OD1 3.47Å; A409-N411 PolarHBondContact O-N 3.03Å; N411-F413 PolarHBondContact O-N 3.04Å; N411-F413 VanDerWaalsContact O-N 3.11Å
412	E	46.3	Very low	52.5	Low	131 Å²	131	118 Å²	118	61%	0.612	60%	0.597	S	S	*	*			trans	-81.8	73.9	165.7	-77	176.5	167.1	0	0	109	A409	A409-E412 HydrophobicContact CB-CG 4.15Å; A409-E412 PolarHBondContact N-OE2 3.05Å; A409-E412 PolarHBondContact O-N 2.86Å
413	F	43.8	Very low	52.2	Low	163 Å²	163	119.5 Å²	119.5	72%	0.715	61%	0.605	S	S	*	*			trans	-117.8	100.2	169.4	-81	-83.9	0	0	0	108.8	P410 N411	P410-F413 WeakPolarHBondContact O-CD2 3.34Å; P410-F413 VanDerWaalsContact O-CE2 3.28Å; P410-F413 WeakPolarHBondContact O-CE2 3.29Å; N411-F413 PolarHBondContact O-N 3.04Å; N411-F413 VanDerWaalsContact O-N 3.11Å
414	Y	42.5	Very low	51.6	Low	187 Å²	187	118.8 Å²	118.8	73%	0.733	61%	0.609	S	S	*	*			trans	-130.9	54	158	-70.3	-75	0	0	0	110.3
415	D	45.9	Very low	51	Low	166 Å²	166	122.3 Å²	122.3	89%	0.888	63%	0.633	S	S	*	*			trans	-91.2	94.4	158.3	-79.3	-29.4	0	0	0	108
416	G	45.6	Very low	49.6	Very low	42 Å²	42	126.2 Å²	126.2	43%	0.433	65%	0.654	S	S	.	*	S	Bend	trans	-176.5	171.3	178.4	0	0	0	0	0	113.4	H418 D419	G416-H418 PolarHBondContact O-N 3.18Å; G416-D419 WeakPolarHBondContact O-CB 3.33Å; G416-D419 PolarHBondContact O-N 3.17Å
417	D	46.3	Very low	48	Very low	148 Å²	148	127.1 Å²	127.1	79%	0.791	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	2.7	-177.1	-68.2	-34.1	0	0	0	115.3
418	H	42.7	Very low	46.8	Very low	168 Å²	168	135.3 Å²	135.3	78%	0.778	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.5	17.3	173.8	-65	-49.1	0	0	0	113.3	G416 N420	G416-H418 PolarHBondContact O-N 3.18Å; H418-N420 PolarHBondContact O-N 3.31Å
419	D	46.9	Very low	45.9	Very low	55 Å²	55	138.5 Å²	138.5	29%	0.294	72%	0.722	S	S	.	*			trans	-63.2	122.5	165.6	-177	9	0	0	0	110.1	G416 D421	G416-D419 WeakPolarHBondContact O-CB 3.33Å; G416-D419 PolarHBondContact O-N 3.17Å; D419-D421 VanDerWaalsContact C-N 3.26Å; D419-D421 PolarHBondContact O-N 2.99Å; D419-D421 PolarHBondContact OD1-N 3.38Å; D419-D421 VanDerWaalsContact OD1-N 3.07Å
420	N	50.2	Low	45	Very low	157 Å²	157	143.7 Å²	143.7	84%	0.84	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-3.8	-178.5	-81.9	-35.8	0	0	0	112.8	H418 K422	H418-N420 PolarHBondContact O-N 3.31Å; N420-K422 VanDerWaalsContact C-N 3.34Å
421	D	51.6	Low	44.7	Very low	145 Å²	145	145.7 Å²	145.7	78%	0.775	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	9.8	-178.9	-69.2	-15.5	0	0	0	113.5	D419 E423	D419-D421 VanDerWaalsContact C-N 3.26Å; D419-D421 PolarHBondContact O-N 2.99Å; D419-D421 PolarHBondContact OD1-N 3.38Å; D419-D421 VanDerWaalsContact OD1-N 3.07Å; D421-E423 PolarHBondContact O-N 2.86Å
422	K	41.2	Very low	43.8	Very low	138 Å²	138	146.4 Å²	146.4	60%	0.6	75%	0.747	S	S	*	*	S	Bend	trans	-71.7	118.2	167.1	-72	-172.7	-178.8	173.7	0	110	N420 S424	N420-K422 VanDerWaalsContact C-N 3.34Å; K422-S424 PolarHBondContact O-N 2.89Å; K422-S424 VanDerWaalsContact O-N 3.08Å
423	E	42.7	Very low	43.7	Very low	189 Å²	189	147.4 Å²	147.4	88%	0.883	76%	0.755	S	S	*	*			trans	-42.5	116.2	170.6	-72.5	-175.7	156.1	0	0	109.8	D421 D425	D421-E423 PolarHBondContact O-N 2.86Å; E423-D425 PolarHBondContact O-N 3.1Å
424	S	44.3	Very low	43.6	Very low	96 Å²	96	146.3 Å²	146.3	67%	0.671	76%	0.758	S	S	*	*			trans	-57.8	122.5	179.9	55.3	0	0	0	0	109.7	K422 V426	K422-S424 PolarHBondContact O-N 2.89Å; K422-S424 VanDerWaalsContact O-N 3.08Å; S424-V426 PolarHBondContact O-N 3.02Å
425	D	41.6	Very low	43.7	Very low	159 Å²	159	143.4 Å²	143.4	85%	0.85	76%	0.76	S	S	*	*			trans	-50.5	101.9	166.4	-74.5	-45	0	0	0	109.3	E423 E427	E423-D425 PolarHBondContact O-N 3.1Å; D425-E427 VanDerWaalsContact C-N 3.31Å; D425-E427 PolarHBondContact O-N 2.93Å; D425-E427 VanDerWaalsContact O-N 3.1Å
426	V	40.9	Very low	43.6	Very low	131 Å²	131	141.7 Å²	141.7	79%	0.794	75%	0.75	S	S	*	*			trans	-81.2	87.3	168.5	-175.3	0	0	0	0	107	S424 I428	S424-V426 PolarHBondContact O-N 3.02Å; V426-I428 PolarHBondContact O-N 3.22Å
427	E	32.2	Very low	43.4	Very low	179 Å²	179	150 Å²	150	84%	0.836	78%	0.777	S	S	*	*			trans	-74.1	109.3	153.3	-76.5	-169.5	154.4	0	0	108.6	D425	D425-E427 VanDerWaalsContact C-N 3.31Å; D425-E427 PolarHBondContact O-N 2.93Å; D425-E427 VanDerWaalsContact O-N 3.1Å
428	I	40.3	Very low	43.1	Very low	235 Å²	235	150.2 Å²	150.2	100%	1.205	78%	0.775	S	S	*	*				179.1	0	124.8	-78.6	154.5	0	0	0	108.2	V426	V426-I428 PolarHBondContact O-N 3.22Å

Retrieved 428 of 428 residues in 140.5 ms (Link to these results)

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