A0A3Q0KEG3_SCHMA Loading...

Nicotinate phosphoribosyltransferase

Catalyzes the first step in the biosynthesis of NAD from nicotinic acid, the ATP-dependent synthesis of beta-nicotinate D-ribonucleotide from nicotinate and 5-phospho-D-ribose 1-phosphate. Helps prevent cellular oxidative stress via its role in NAD biosynthesis.

AlphaFold DB , UniProt , Accession A0A3Q0KEG3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 559 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.1	Very low	73.6	Confident	219 Å²	219	61.6 Å²	61.6	100%	1.079	34%	0.338	S	S	*	.				0	137.9	0	-81.9	179.2	-108.3	0	0	106.5	S3	M1-S3 PolarHBondContact O-N 3.32Å
2	A	46.4	Very low	75.4	Confident	61 Å²	61	62.9 Å²	62.9	50%	0.504	34%	0.338	S	S	.	.			trans	-53.8	132.8	171.4	0	0	0	0	0	108.7	H4 F5	A2-H4 PolarHBondContact O-N 3.06Å; A2-F5 PolarHBondContact O-N 3.28Å
3	S	53.7	Low	77	Confident	6 Å²	6	59.8 Å²	59.8	4%	0.042	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-55.7	134.3	177.4	75.4	0	0	0	0	108.9	M1 F5 G6 V8	M1-S3 PolarHBondContact O-N 3.32Å; S3-F5 VanDerWaalsContact C-N 3.33Å; S3-F5 PolarHBondContact O-N 3.33Å; S3-G6 PolarHBondContact O-N 3.49Å; S3-G6 VanDerWaalsContact O-N 3.14Å; S3-V8 WeakPolarHBondContact OG-CB 3.21Å; S3-V8 WeakPolarHBondContact OG-CG1 3.39Å
4	H	68.1	Low	78.4	Confident	18 Å²	18	62.4 Å²	62.4	8%	0.083	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	49.7	45.6	179.5	-62.8	-94.7	0	0	0	114.8	A2 G6 V7 V8 D57 L136 D172	A2-H4 PolarHBondContact O-N 3.06Å; H4-G6 PolarHBondContact O-N 3.3Å; H4-G6 VanDerWaalsContact O-N 3.09Å; H4-V7 WeakPolarHBondContact O-CB 3.14Å; H4-V7 WeakPolarHBondContact O-CG2 3.49Å; H4-V7 PolarHBondContact O-N 2.88Å; H4-V8 HydrophobicContact CB-CB 4.26Å; H4-V8 HydrophobicContact CB-CG2 3.66Å; H4-D57 WeakPolarHBondContact NE2-CB 3.49Å; H4-D57 IonicContact NE2-OD1 3.89Å; H4-L136 WeakPolarHBondContact NE2-CD2 3.42Å; H4-D172 IonicContact CG-OD1 2.93Å; H4-D172 IonicContact ND1-OD1 2.74Å; H4-D172 PolarHBondContact ND1-OD1 3.19Å; H4-D172 VanDerWaalsContact ND1-OD1 3.11Å; H4-D172 IonicContact ND1-OD2 3.17Å; H4-D172 PolarHBondContact ND1-OD2 3.39Å
5	F	70.4	Confident	79.6	Confident	130 Å²	130	64.9 Å²	64.9	57%	0.57	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	57.3	27.7	176.5	-51.7	-92.7	0	0	0	114.3	A2 S3 L175 L193 I197	A2-F5 PolarHBondContact O-N 3.28Å; S3-F5 VanDerWaalsContact C-N 3.33Å; S3-F5 PolarHBondContact O-N 3.33Å; F5-L175 HydrophobicContact CD2-CD2 4.26Å; F5-L175 HydrophobicContact CE2-CD2 3.1Å; F5-L175 HydrophobicContact CZ-CD2 3.38Å; F5-L193 HydrophobicContact CZ-CD2 4.41Å; F5-I197 HydrophobicContact CE1-CD1 3.91Å; F5-I197 HydrophobicContact CZ-CD1 3.41Å; F5-I197 VanDerWaalsContact CZ-CD1 3.41Å
6	G	76.2	Confident	80.7	Confident	25 Å²	25	66.6 Å²	66.6	26%	0.258	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	85.2	4.9	179.5	0	0	0	0	0	114.6	S3 H4 Q9	S3-G6 PolarHBondContact O-N 3.49Å; S3-G6 VanDerWaalsContact O-N 3.14Å; H4-G6 PolarHBondContact O-N 3.3Å; H4-G6 VanDerWaalsContact O-N 3.09Å; G6-Q9 VanDerWaalsContact O-CG 3.32Å; G6-Q9 WeakPolarHBondContact O-CG 3.14Å
7	V	84.4	Confident	81.7	Confident	84 Å²	84	62.6 Å²	62.6	51%	0.509	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-36.7	173.7	177.6	0	0	0	0	111.3	H4 Q9	H4-V7 WeakPolarHBondContact O-CB 3.14Å; H4-V7 WeakPolarHBondContact O-CG2 3.49Å; H4-V7 PolarHBondContact O-N 2.88Å; V7-Q9 PolarHBondContact O-N 3.39Å
8	V	90.8	Very high	82.6	Confident	8 Å²	8	59.4 Å²	59.4	5%	0.048	31%	0.307	C	S	.	.			trans	-88.3	99	-175.3	173.1	0	0	0	0	109.5	S3 H4 F12 Y61 T132 L136	S3-V8 WeakPolarHBondContact OG-CB 3.21Å; S3-V8 WeakPolarHBondContact OG-CG1 3.39Å; H4-V8 HydrophobicContact CB-CB 4.26Å; H4-V8 HydrophobicContact CB-CG2 3.66Å; V8-F12 HydrophobicContact CG2-CD1 4.44Å; V8-Y61 HydrophobicContact CG1-CD2 3.55Å; V8-Y61 HydrophobicContact CG1-CE2 4.3Å; V8-Y61 HydrophobicContact CG1-CG 3.8Å; V8-T132 HydrophobicContact CG1-CG2 3.68Å; V8-L136 HydrophobicContact CG1-CD1 4.38Å; V8-L136 HydrophobicContact CG2-CD2 4.27Å
9	Q	92.6	Very high	83.4	Confident	80 Å²	80	58.8 Å²	58.8	37%	0.374	31%	0.306	S	S	.	.	S	Bend	trans	-133.9	167.7	-176.3	-62.4	-175.8	-54.3	0	0	110.3	G6 V7 I11 F12	G6-Q9 VanDerWaalsContact O-CG 3.32Å; G6-Q9 WeakPolarHBondContact O-CG 3.14Å; V7-Q9 PolarHBondContact O-N 3.39Å; Q9-I11 PolarHBondContact O-N 2.95Å; Q9-I11 VanDerWaalsContact O-N 3.14Å; Q9-F12 VanDerWaalsContact O-CB 3.27Å; Q9-F12 WeakPolarHBondContact O-CB 3.1Å; Q9-F12 PolarHBondContact O-N 2.76Å
10	P	94.8	Very high	84.2	Confident	4 Å²	4	58.9 Å²	58.9	3%	0.026	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-28.9	179.4	-28.4	37.6	0	0	0	114.9	F12 T13 F65 F67	P10-F12 VanDerWaalsContact C-N 3.28Å; P10-T13 WeakPolarHBondContact O-CG2 3.14Å; P10-F65 HydrophobicContact CB-CD2 4.22Å; P10-F65 HydrophobicContact CB-CE2 3.73Å; P10-F65 HydrophobicContact CB-CZ 3.91Å; P10-F65 HydrophobicContact CG-CD1 4.34Å; P10-F65 HydrophobicContact CG-CD2 3.82Å; P10-F65 HydrophobicContact CG-CE1 4.32Å; P10-F65 HydrophobicContact CG-CE2 3.82Å; P10-F65 HydrophobicContact CG-CG 4.08Å; P10-F65 HydrophobicContact CG-CZ 4.07Å; P10-F67 HydrophobicContact CB-CD1 4Å; P10-F67 HydrophobicContact CB-CD2 4.12Å; P10-F67 HydrophobicContact CB-CE1 3.68Å; P10-F67 HydrophobicContact CB-CE2 3.81Å; P10-F67 HydrophobicContact CB-CG 4.21Å; P10-F67 HydrophobicContact CB-CZ 3.57Å
11	I	95.4	Very high	84.8	Confident	43 Å²	43	56 Å²	56	22%	0.221	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-5.5	176.4	-156.8	164.9	0	0	0	113.6	Q9 T13 Y74 L75	Q9-I11 PolarHBondContact O-N 2.95Å; Q9-I11 VanDerWaalsContact O-N 3.14Å; I11-T13 PolarHBondContact O-N 3.3Å; I11-Y74 HydrophobicContact CD1-CD1 3.52Å; I11-Y74 HydrophobicContact CD1-CE1 3.9Å; I11-L75 HydrophobicContact CD1-CD2 3.96Å; I11-L75 HydrophobicContact CD1-CG 4.18Å
12	F	95.5	Very high	87.8	Confident	77 Å²	77	47.7 Å²	47.7	34%	0.338	25%	0.248	S	C	.	.	S	Bend	trans	-78.1	65.4	168.1	-173.3	-113.5	0	0	0	110.1	V8 Q9 P10 T132 N135	V8-F12 HydrophobicContact CG2-CD1 4.44Å; Q9-F12 VanDerWaalsContact O-CB 3.27Å; Q9-F12 WeakPolarHBondContact O-CB 3.1Å; Q9-F12 PolarHBondContact O-N 2.76Å; P10-F12 VanDerWaalsContact C-N 3.28Å; F12-T132 HydrophobicContact CD1-CG2 4.08Å; F12-T132 PolarHBondContact O-OG1 3.33Å; F12-N135 HydrophobicContact CE1-CB 4.16Å
13	T	96	Very high	90.3	Very high	22 Å²	22	47.4 Å²	47.4	14%	0.135	25%	0.246	C	C	.	.	S	Bend	trans	-146.5	157.2	-174.2	-164.7	0	0	0	0	108.5	P10 I11 E17 L18 S131	P10-T13 WeakPolarHBondContact O-CG2 3.14Å; I11-T13 PolarHBondContact O-N 3.3Å; T13-E17 WeakPolarHBondContact OG1-CB 3.4Å; T13-E17 WeakPolarHBondContact OG1-CG 3.4Å; T13-L18 HydrophobicContact CG2-CD1 4.16Å; T13-L18 HydrophobicContact CG2-CG 4.11Å; T13-S131 WeakPolarHBondContact CA-OG 3.06Å; T13-S131 PolarHBondContact OG1-OG 2.94Å; T13-S131 VanDerWaalsContact OG1-OG 3.06Å
14	D	96.5	Very high	92.4	Very high	96 Å²	96	50.4 Å²	50.4	51%	0.513	26%	0.257	S	S	.	.			trans	-72.4	155.3	172.8	-73.6	-31.1	0	0	0	110.2	Y16 E17 S131	D14-Y16 HydrophobicContact CB-CD1 3.59Å; D14-Y16 HydrophobicContact CB-CE1 3.56Å; D14-Y16 PolarHBondContact O-N 3.33Å; D14-Y16 VanDerWaalsContact O-N 3.17Å; D14-E17 WeakPolarHBondContact CA-OE2 3.26Å; D14-E17 WeakPolarHBondContact CB-OE2 3.21Å; D14-E17 PolarHBondContact N-OE2 3.17Å; D14-E17 PolarHBondContact O-N 3.05Å; D14-S131 PolarHBondContact N-OG 3.07Å; D14-S131 VanDerWaalsContact N-OG 3.11Å
15	F	97.3	Very high	93.8	Very high	101 Å²	101	52.4 Å²	52.4	44%	0.443	26%	0.263	S	S	.	.	H	α-helix	trans	-65.4	-22.7	-174.9	-174.2	-122	0	0	0	113	E17 L18 T19 V78 M79	F15-E17 VanDerWaalsContact C-N 3.33Å; F15-E17 PolarHBondContact O-N 3.31Å; F15-L18 HydrophobicContact CD2-CD1 4.35Å; F15-L18 PolarHBondContact O-N 3.1Å; F15-T19 HydrophobicContact CD1-CG2 3.98Å; F15-T19 HydrophobicContact CE1-CG2 3.56Å; F15-T19 HydrophobicContact CE2-CG2 4.18Å; F15-T19 HydrophobicContact CG-CG2 4.46Å; F15-T19 HydrophobicContact CZ-CG2 3.67Å; F15-T19 PolarHBondContact O-N 3.04Å; F15-T19 VanDerWaalsContact O-N 3.14Å; F15-T19 PolarHBondContact O-OG1 3.43Å; F15-V78 HydrophobicContact CE2-CG2 4.45Å; F15-M79 HydrophobicContact CE2-CG 4.05Å; F15-M79 HydrophobicContact CZ-CG 4.36Å
16	Y	97.2	Very high	95.1	Very high	91 Å²	91	51.6 Å²	51.6	36%	0.357	26%	0.26	S	S	.	.	H	α-helix	trans	-71.1	-30.5	-177.5	79.9	-92.3	0	0	0	111.7	D14 L18 T19 M20 E130	D14-Y16 HydrophobicContact CB-CD1 3.59Å; D14-Y16 HydrophobicContact CB-CE1 3.56Å; D14-Y16 PolarHBondContact O-N 3.33Å; D14-Y16 VanDerWaalsContact O-N 3.17Å; Y16-L18 VanDerWaalsContact C-N 3.31Å; Y16-L18 PolarHBondContact O-N 3.35Å; Y16-T19 WeakPolarHBondContact CA-OG1 3.48Å; Y16-T19 PolarHBondContact O-N 2.89Å; Y16-T19 PolarHBondContact O-OG1 3.14Å; Y16-T19 VanDerWaalsContact O-OG1 3.1Å; Y16-M20 HydrophobicContact CD2-CE 3.37Å; Y16-M20 HydrophobicContact CD2-SD 3.96Å; Y16-M20 HydrophobicContact CE2-CE 3.51Å; Y16-M20 HydrophobicContact CE2-SD 4.49Å; Y16-M20 VanDerWaalsContact O-CB 3.27Å; Y16-M20 WeakPolarHBondContact O-CB 3.33Å; Y16-M20 VanDerWaalsContact O-CG 3.23Å; Y16-M20 WeakPolarHBondContact O-CG 2.94Å; Y16-M20 PolarHBondContact O-N 3.07Å; Y16-E130 PolarHBondContact OH-OE1 2.68Å
17	E	97.8	Very high	96.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.6	-41.1	174.9	-74	81.7	164.4	0	0	111	T13 D14 F15 S21 Q127 E130 S131	T13-E17 WeakPolarHBondContact OG1-CB 3.4Å; T13-E17 WeakPolarHBondContact OG1-CG 3.4Å; D14-E17 WeakPolarHBondContact CA-OE2 3.26Å; D14-E17 WeakPolarHBondContact CB-OE2 3.21Å; D14-E17 PolarHBondContact N-OE2 3.17Å; D14-E17 PolarHBondContact O-N 3.05Å; F15-E17 VanDerWaalsContact C-N 3.33Å; F15-E17 PolarHBondContact O-N 3.31Å; E17-S21 VanDerWaalsContact O-CB 3.23Å; E17-S21 WeakPolarHBondContact O-CB 3.45Å; E17-S21 PolarHBondContact O-N 3.41Å; E17-S21 PolarHBondContact O-OG 2.88Å; E17-Q127 HydrophobicContact CB-CG 4.35Å; E17-Q127 HydrophobicContact CG-CG 4.35Å; E17-Q127 VanDerWaalsContact CG-O 3.29Å; E17-Q127 WeakPolarHBondContact CG-O 2.79Å; E17-E130 HydrophobicContact CG-CB 4.44Å; E17-S131 WeakPolarHBondContact OE1-CB 3.28Å; E17-S131 PolarHBondContact OE1-OG 2.97Å
18	L	97.8	Very high	96.8	Very high	5 Å²	5	57.9 Å²	57.9	3%	0.026	29%	0.287	C	S	.	.	H	α-helix	trans	-70.1	-45.6	177.9	-69.4	163	0	0	0	111.9	T13 F15 Y16 S21 Y22 F67 L75 L128	T13-L18 HydrophobicContact CG2-CD1 4.16Å; T13-L18 HydrophobicContact CG2-CG 4.11Å; F15-L18 HydrophobicContact CD2-CD1 4.35Å; F15-L18 PolarHBondContact O-N 3.1Å; Y16-L18 VanDerWaalsContact C-N 3.31Å; Y16-L18 PolarHBondContact O-N 3.35Å; L18-S21 WeakPolarHBondContact O-CB 3.32Å; L18-S21 PolarHBondContact O-N 3.49Å; L18-Y22 PolarHBondContact O-N 3.24Å; L18-F67 HydrophobicContact CD2-CE1 4.45Å; L18-F67 HydrophobicContact CD2-CZ 4.31Å; L18-L75 HydrophobicContact CD1-CD2 3.55Å; L18-L75 HydrophobicContact CD2-CD1 4.09Å; L18-L75 HydrophobicContact CD2-CD2 4.36Å; L18-L128 HydrophobicContact CD2-CD2 3.95Å
19	T	97.8	Very high	97.1	Very high	48 Å²	48	62.5 Å²	62.5	29%	0.294	31%	0.306	S	S	.	.	H	α-helix	trans	-68.3	-37.9	178.8	54.5	0	0	0	0	112.6	F15 Y16 Y22 A23 M79	F15-T19 HydrophobicContact CD1-CG2 3.98Å; F15-T19 HydrophobicContact CE1-CG2 3.56Å; F15-T19 HydrophobicContact CE2-CG2 4.18Å; F15-T19 HydrophobicContact CG-CG2 4.46Å; F15-T19 HydrophobicContact CZ-CG2 3.67Å; F15-T19 PolarHBondContact O-N 3.04Å; F15-T19 VanDerWaalsContact O-N 3.14Å; F15-T19 PolarHBondContact O-OG1 3.43Å; Y16-T19 WeakPolarHBondContact CA-OG1 3.48Å; Y16-T19 PolarHBondContact O-N 2.89Å; Y16-T19 PolarHBondContact O-OG1 3.14Å; Y16-T19 VanDerWaalsContact O-OG1 3.1Å; T19-Y22 PolarHBondContact O-N 3.35Å; T19-A23 PolarHBondContact O-N 2.92Å; T19-M79 HydrophobicContact CG2-CE 4.32Å
20	M	98.1	Very high	97.3	Very high	59 Å²	59	59 Å²	59	29%	0.291	29%	0.291	S	S	.	.	H	α-helix	trans	-66.9	-37.6	171	-70.9	-169.7	-42	0	0	111.5	Y16 Y22 A23 Y24 Q127	Y16-M20 HydrophobicContact CD2-CE 3.37Å; Y16-M20 HydrophobicContact CD2-SD 3.96Å; Y16-M20 HydrophobicContact CE2-CE 3.51Å; Y16-M20 HydrophobicContact CE2-SD 4.49Å; Y16-M20 VanDerWaalsContact O-CB 3.27Å; Y16-M20 WeakPolarHBondContact O-CB 3.33Å; Y16-M20 VanDerWaalsContact O-CG 3.23Å; Y16-M20 WeakPolarHBondContact O-CG 2.94Å; Y16-M20 PolarHBondContact O-N 3.07Å; M20-Y22 VanDerWaalsContact C-N 3.32Å; M20-Y22 PolarHBondContact O-N 3.24Å; M20-A23 PolarHBondContact O-N 3.43Å; M20-A23 VanDerWaalsContact O-N 3.16Å; M20-Y24 HydrophobicContact CB-CD2 4.4Å; M20-Y24 HydrophobicContact CB-CE2 4.22Å; M20-Y24 WeakPolarHBondContact O-CD2 3.19Å; M20-Y24 PolarHBondContact O-N 2.99Å; M20-Q127 HydrophobicContact CE-CG 3.68Å; M20-Q127 VanDerWaalsContact CE-NE2 3.26Å; M20-Q127 VanDerWaalsContact CE-OE1 3.31Å
21	S	98.1	Very high	97.4	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-59.9	-43.1	174.8	-65.3	0	0	0	0	111.8	E17 L18 Y24 W25	E17-S21 VanDerWaalsContact O-CB 3.23Å; E17-S21 WeakPolarHBondContact O-CB 3.45Å; E17-S21 PolarHBondContact O-N 3.41Å; E17-S21 PolarHBondContact O-OG 2.88Å; L18-S21 WeakPolarHBondContact O-CB 3.32Å; L18-S21 PolarHBondContact O-N 3.49Å; S21-Y24 PolarHBondContact O-N 3.09Å; S21-W25 VanDerWaalsContact O-CB 3.31Å; S21-W25 WeakPolarHBondContact O-CB 3.35Å; S21-W25 PolarHBondContact O-N 3.19Å
22	Y	98.4	Very high	97.6	Very high	43 Å²	43	64.5 Å²	64.5	17%	0.169	32%	0.321	C	S	.	.	H	α-helix	trans	-61.7	-45.3	172.3	173.5	-118.3	0	0	0	111.9	L18 T19 M20 Y24 W25 K26 T82 V83 D84 F87	L18-Y22 PolarHBondContact O-N 3.24Å; T19-Y22 PolarHBondContact O-N 3.35Å; M20-Y22 VanDerWaalsContact C-N 3.32Å; M20-Y22 PolarHBondContact O-N 3.24Å; Y22-Y24 PolarHBondContact O-N 3.41Å; Y22-W25 HydrophobicContact CD2-CE3 4.23Å; Y22-W25 HydrophobicContact CE2-CE3 4.16Å; Y22-W25 HydrophobicContact CE2-CZ3 4.3Å; Y22-W25 PolarHBondContact O-N 3.42Å; Y22-K26 HydrophobicContact CE2-CB 4.38Å; Y22-K26 WeakPolarHBondContact O-CB 3.38Å; Y22-K26 PolarHBondContact O-N 3.22Å; Y22-T82 PolarHBondContact OH-O 2.86Å; Y22-V83 HydrophobicContact CD1-CG2 4.01Å; Y22-V83 HydrophobicContact CD2-CG1 3.88Å; Y22-V83 HydrophobicContact CE1-CG2 3.93Å; Y22-V83 HydrophobicContact CE2-CB 4.45Å; Y22-V83 HydrophobicContact CE2-CG1 3.88Å; Y22-V83 HydrophobicContact CG-CG1 4.28Å; Y22-V83 HydrophobicContact CG-CG2 4.37Å; Y22-D84 HydrophobicContact CE2-CB 3.96Å; Y22-D84 PolarHBondContact OH-N 2.85Å; Y22-F87 HydrophobicContact CD2-CB 3.94Å; Y22-F87 AromaticContact CD2-CD1 3.92Å; Y22-F87 HydrophobicContact CD2-CD1 3.92Å; Y22-F87 HydrophobicContact CD2-CD2 4.05Å; Y22-F87 HydrophobicContact CD2-CE1 4.45Å; Y22-F87 AromaticContact CD2-CG 3.68Å; Y22-F87 HydrophobicContact CD2-CG 3.68Å; Y22-F87 HydrophobicContact CE2-CB 4.31Å; Y22-F87 HydrophobicContact CG-CD1 4.38Å; Y22-F87 HydrophobicContact CG-CG 4.5Å
23	A	98.4	Very high	97.7	Very high	56 Å²	56	64.9 Å²	64.9	46%	0.463	33%	0.329	S	S	.	.	H	α-helix	trans	-62.4	-42.3	178.6	0	0	0	0	0	112.4	T19 M20 A27	T19-A23 PolarHBondContact O-N 2.92Å; M20-A23 PolarHBondContact O-N 3.43Å; M20-A23 VanDerWaalsContact O-N 3.16Å; A23-A27 WeakPolarHBondContact O-CB 3.03Å; A23-A27 PolarHBondContact O-N 3.33Å
24	Y	98.3	Very high	97.8	Very high	69 Å²	69	63.9 Å²	63.9	27%	0.271	32%	0.323	S	S	.	.	H	α-helix	trans	-63.1	-42.7	173.6	-75.7	-55.3	0	0	0	111.9	M20 S21 Y22 A27 E28 K29 A30 V123	M20-Y24 HydrophobicContact CB-CD2 4.4Å; M20-Y24 HydrophobicContact CB-CE2 4.22Å; M20-Y24 WeakPolarHBondContact O-CD2 3.19Å; M20-Y24 PolarHBondContact O-N 2.99Å; S21-Y24 PolarHBondContact O-N 3.09Å; Y22-Y24 PolarHBondContact O-N 3.41Å; Y24-A27 PolarHBondContact O-N 3.5Å; Y24-E28 PolarHBondContact O-N 3.44Å; Y24-K29 HydrophobicContact CD1-CB 4.23Å; Y24-K29 WeakPolarHBondContact O-CA 2.98Å; Y24-K29 PolarHBondContact O-N 3.35Å; Y24-A30 PolarHBondContact O-N 3.4Å; Y24-V123 HydrophobicContact CD1-CG1 4.22Å; Y24-V123 HydrophobicContact CD2-CG1 4.42Å; Y24-V123 HydrophobicContact CD2-CG2 4.47Å; Y24-V123 HydrophobicContact CE1-CG2 4.34Å; Y24-V123 HydrophobicContact CE2-CG2 4.12Å; Y24-V123 HydrophobicContact CG-CG1 4.12Å
25	W	98.2	Very high	97.9	Very high	59 Å²	59	59.5 Å²	59.5	22%	0.223	30%	0.3	C	S	.	.	H	α-helix	trans	-62.9	-47.8	177.1	-179.1	90.2	0	0	0	111.9	S21 Y22 A27 E28 A30 D84 D86 F87 Y90	S21-W25 VanDerWaalsContact O-CB 3.31Å; S21-W25 WeakPolarHBondContact O-CB 3.35Å; S21-W25 PolarHBondContact O-N 3.19Å; Y22-W25 HydrophobicContact CD2-CE3 4.23Å; Y22-W25 HydrophobicContact CE2-CE3 4.16Å; Y22-W25 HydrophobicContact CE2-CZ3 4.3Å; Y22-W25 PolarHBondContact O-N 3.42Å; W25-A27 VanDerWaalsContact C-N 3.26Å; W25-A27 PolarHBondContact O-N 3.17Å; W25-E28 PolarHBondContact O-N 3.25Å; W25-A30 HydrophobicContact CB-CB 4.38Å; W25-D84 HydrophobicContact CH2-CB 4.06Å; W25-D84 HydrophobicContact CZ3-CB 3.67Å; W25-D86 HydrophobicContact CH2-CB 3.9Å; W25-D86 HydrophobicContact CZ2-CB 4Å; W25-F87 HydrophobicContact CB-CD2 3.86Å; W25-F87 HydrophobicContact CB-CE2 4.01Å; W25-F87 HydrophobicContact CD2-CB 4.34Å; W25-F87 AromaticContact CD2-CD2 3.91Å; W25-F87 HydrophobicContact CD2-CD2 3.91Å; W25-F87 HydrophobicContact CE3-CB 4.1Å; W25-F87 HydrophobicContact CE3-CD2 4.21Å; W25-F87 AromaticContact CG-CD2 3.76Å; W25-F87 HydrophobicContact CG-CD2 3.76Å; W25-F87 HydrophobicContact CG-CE2 4.33Å; W25-F87 HydrophobicContact CZ3-CB 4.21Å; W25-Y90 AromaticContact CD1-CD1 3.4Å; W25-Y90 VanDerWaalsContact CD1-CD1 3.4Å; W25-Y90 AromaticContact CD1-CD2 3.92Å; W25-Y90 AromaticContact CD1-CE1 3.67Å; W25-Y90 AromaticContact CD1-CG 3.52Å; W25-Y90 HydrophobicContact CG-CD1 4.14Å; W25-Y90 HydrophobicContact CG-CE1 4.38Å; W25-Y90 AromaticContact NE1-CD1 3.86Å; W25-Y90 AromaticContact NE1-CD2 3.93Å; W25-Y90 AromaticContact NE1-CG 3.52Å
26	K	97.9	Very high	97.9	Very high	114 Å²	114	55.1 Å²	55.1	50%	0.496	28%	0.281	S	S	.	.	H	α-helix	trans	-66.8	-28.4	179.1	-163.2	64	171.9	178.2	0	112.8	Y22 E28 D84	Y22-K26 HydrophobicContact CE2-CB 4.38Å; Y22-K26 WeakPolarHBondContact O-CB 3.38Å; Y22-K26 PolarHBondContact O-N 3.22Å; K26-E28 PolarHBondContact O-N 3.04Å; K26-D84 IonicContact NZ-OD2 3.21Å; K26-D84 PolarHBondContact NZ-OD2 3.17Å
27	A	98	Very high	98	Very high	58 Å²	58	50.9 Å²	50.9	48%	0.479	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	6.9	173.3	0	0	0	0	0	113.6	A23 Y24 W25 K29	A23-A27 WeakPolarHBondContact O-CB 3.03Å; A23-A27 PolarHBondContact O-N 3.33Å; Y24-A27 PolarHBondContact O-N 3.5Å; W25-A27 VanDerWaalsContact C-N 3.26Å; W25-A27 PolarHBondContact O-N 3.17Å; A27-K29 HydrophobicContact CB-CG 4.38Å; A27-K29 PolarHBondContact O-N 3.38Å
28	E	97.7	Very high	98	Very high	182 Å²	182	50.9 Å²	50.9	85%	0.85	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	25.7	-177.6	-58	-180	-179.3	0	0	113.9	Y24 W25 K26	Y24-E28 PolarHBondContact O-N 3.44Å; W25-E28 PolarHBondContact O-N 3.25Å; K26-E28 PolarHBondContact O-N 3.04Å
29	K	98	Very high	98	Very high	105 Å²	105	51.2 Å²	51.2	46%	0.457	27%	0.266	S	S	.	.			trans	-104.5	2.8	-179.2	-69.3	-174	178	-178.5	0	113.9	Y24 A27 N31 D32 V123	Y24-K29 HydrophobicContact CD1-CB 4.23Å; Y24-K29 WeakPolarHBondContact O-CA 2.98Å; Y24-K29 PolarHBondContact O-N 3.35Å; A27-K29 HydrophobicContact CB-CG 4.38Å; A27-K29 PolarHBondContact O-N 3.38Å; K29-N31 PolarHBondContact O-N 3.22Å; K29-D32 WeakPolarHBondContact CG-OD2 3.33Å; K29-D32 WeakPolarHBondContact O-CB 3.48Å; K29-D32 PolarHBondContact O-N 2.96Å; K29-V123 WeakPolarHBondContact O-CG1 3.28Å
30	A	96.9	Very high	98	Very high	7 Å²	7	49 Å²	49	6%	0.058	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-34.8	-173.3	0	0	0	0	0	114.1	Y24 W25 V124	Y24-A30 PolarHBondContact O-N 3.4Å; W25-A30 HydrophobicContact CB-CB 4.38Å; A30-V124 HydrophobicContact CB-CG2 3.88Å
31	N	96.4	Very high	97.8	Very high	123 Å²	123	49.4 Å²	49.4	66%	0.658	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.1	5.8	-176.6	-64	-44.4	0	0	0	114.2	K29 T33	K29-N31 PolarHBondContact O-N 3.22Å; N31-T33 PolarHBondContact O-N 2.93Å
32	D	98.4	Very high	97.6	Very high	40 Å²	40	56.8 Å²	56.8	21%	0.214	28%	0.282	C	S	.	.			trans	-56.3	134.6	172.1	-80.2	-13.6	0	0	0	109.4	K29 A34 P122 V123 I415 N416	K29-D32 WeakPolarHBondContact CG-OD2 3.33Å; K29-D32 WeakPolarHBondContact O-CB 3.48Å; K29-D32 PolarHBondContact O-N 2.96Å; D32-A34 PolarHBondContact O-N 3.29Å; D32-P122 CarbonylContact O-C 3.53Å; D32-P122 WeakPolarHBondContact O-CA 3.3Å; D32-V123 HydrophobicContact CB-CG1 4.25Å; D32-V123 PolarHBondContact O-N 2.96Å; D32-I415 HydrophobicContact CB-CD1 3.87Å; D32-I415 HydrophobicContact CB-CG1 4.49Å; D32-N416 WeakPolarHBondContact CA-OD1 3.49Å; D32-N416 PolarHBondContact OD1-ND2 3.44Å; D32-N416 PolarHBondContact OD2-ND2 3.44Å
33	T	98.2	Very high	97.4	Very high	85 Å²	85	55.3 Å²	55.3	52%	0.521	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	115.1	-178.3	-59.5	0	0	0	0	109.4	N31 I415 N416	N31-T33 PolarHBondContact O-N 2.93Å; T33-I415 CarbonylContact O-C 3.04Å; T33-I415 WeakPolarHBondContact O-CA 2.88Å; T33-N416 PolarHBondContact N-OD1 3.1Å; T33-N416 PolarHBondContact O-N 3.27Å
34	A	98.4	Very high	97.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	145.3	-178.9	0	0	0	0	0	111.8	D32 F36 E120 G121 V123 L412 E414 I415	D32-A34 PolarHBondContact O-N 3.29Å; A34-F36 HydrophobicContact CB-CD2 4.07Å; A34-F36 HydrophobicContact CB-CE2 3.62Å; A34-E120 WeakPolarHBondContact O-CA 3.33Å; A34-G121 PolarHBondContact N-O 2.86Å; A34-G121 PolarHBondContact O-N 3.33Å; A34-G121 VanDerWaalsContact O-N 3.1Å; A34-V123 HydrophobicContact CB-CB 3.92Å; A34-V123 HydrophobicContact CB-CG2 3.97Å; A34-L412 HydrophobicContact CB-CD1 3.89Å; A34-E414 WeakPolarHBondContact CA-O 3.4Å; A34-I415 HydrophobicContact CB-CD1 3.74Å
35	T	98.4	Very high	97.2	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.031	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	121.1	166.7	-57.8	0	0	0	0	109.6	R118 V119 E120 V413 E414 K435	T35-R118 HydrophobicContact CG2-CG 3.58Å; T35-V119 CarbonylContact C-O 3.6Å; T35-V119 WeakPolarHBondContact CA-O 3.23Å; T35-E120 HydrophobicContact CG2-CG 3.92Å; T35-V413 HydrophobicContact CG2-CG2 3.73Å; T35-V413 WeakPolarHBondContact O-CG2 3.5Å; T35-V413 PolarHBondContact O-N 3.46Å; T35-E414 PolarHBondContact N-O 3.19Å; T35-E414 PolarHBondContact O-N 3.36Å; T35-K435 HydrophobicContact CG2-CB 4.47Å; T35-K435 HydrophobicContact CG2-CG 4.4Å
36	F	98.5	Very high	96.9	Very high	8 Å²	8	54 Å²	54	4%	0.035	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	148.3	171.2	-68.3	-103.8	0	0	0	110.6	A34 R118 V119 V123 C126 Y410 K411 L412	A34-F36 HydrophobicContact CB-CD2 4.07Å; A34-F36 HydrophobicContact CB-CE2 3.62Å; F36-R118 CarbonylContact O-C 3.44Å; F36-R118 VanDerWaalsContact O-CA 3.27Å; F36-R118 WeakPolarHBondContact O-CA 3.46Å; F36-R118 WeakPolarHBondContact O-CG 3.46Å; F36-V119 PolarHBondContact N-O 3.24Å; F36-V119 PolarHBondContact O-N 2.83Å; F36-V123 HydrophobicContact CE2-CG2 4.49Å; F36-C126 HydrophobicContact CD2-CB 3.59Å; F36-C126 HydrophobicContact CE2-CB 3.56Å; F36-Y410 HydrophobicContact CB-CD1 3.87Å; F36-Y410 HydrophobicContact CB-CE1 3.29Å; F36-Y410 HydrophobicContact CB-CE2 4.27Å; F36-Y410 VanDerWaalsContact CB-CZ 3.49Å; F36-Y410 AromaticContact CD1-CD1 3.34Å; F36-Y410 HydrophobicContact CD1-CD1 3.34Å; F36-Y410 AromaticContact CD1-CE1 3.11Å; F36-Y410 HydrophobicContact CD1-CE1 3.11Å; F36-Y410 AromaticContact CD2-CE1 3.97Å; F36-Y410 HydrophobicContact CD2-CE1 3.97Å; F36-Y410 HydrophobicContact CE1-CD1 4.04Å; F36-Y410 AromaticContact CE1-CE1 3.8Å; F36-Y410 HydrophobicContact CE1-CE1 3.8Å; F36-Y410 AromaticContact CG-CD1 3.85Å; F36-Y410 HydrophobicContact CG-CD1 3.85Å; F36-Y410 AromaticContact CG-CE1 3.2Å; F36-Y410 HydrophobicContact CG-CE1 3.2Å; F36-Y410 AromaticContact CG-CZ 3.84Å; F36-Y410 HydrophobicContact CZ-CE1 4.45Å; F36-K411 CarbonylContact C-O 3.6Å; F36-K411 VanDerWaalsContact CA-O 3.23Å; F36-K411 WeakPolarHBondContact CA-O 3.23Å; F36-L412 HydrophobicContact CD1-CB 3.92Å; F36-L412 HydrophobicContact CD1-CD1 4.42Å; F36-L412 VanDerWaalsContact CD1-N 3.26Å; F36-L412 HydrophobicContact CD2-CD1 4.03Å; F36-L412 HydrophobicContact CE1-CB 3.67Å; F36-L412 HydrophobicContact CE1-CD1 4.12Å; F36-L412 HydrophobicContact CE1-CG 4.47Å; F36-L412 HydrophobicContact CE2-CD1 3.68Å; F36-L412 HydrophobicContact CG-CD1 4.4Å; F36-L412 HydrophobicContact CZ-CB 4.12Å; F36-L412 HydrophobicContact CZ-CD1 3.74Å; F36-L412 HydrophobicContact CZ-CG 4.46Å
37	E	98.1	Very high	96.7	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.009	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	140.4	174.9	-72.2	176.6	172.1	0	0	111.1	P115 M117 R118 Y410 K411 V413 K436	E37-P115 HydrophobicContact CB-CB 4.3Å; E37-P115 HydrophobicContact CB-CG 4.42Å; E37-P115 HydrophobicContact CG-CB 4.2Å; E37-P115 HydrophobicContact CG-CG 4.26Å; E37-P115 VanDerWaalsContact OE2-CG 3.25Å; E37-P115 WeakPolarHBondContact OE2-CG 3.47Å; E37-M117 WeakPolarHBondContact CA-O 3.23Å; E37-R118 HydrophobicContact CG-CB 4.23Å; E37-R118 HydrophobicContact CG-CG 3.84Å; E37-Y410 WeakPolarHBondContact O-CA 3.27Å; E37-K411 PolarHBondContact N-O 3.04Å; E37-K411 PolarHBondContact O-N 2.72Å; E37-V413 HydrophobicContact CB-CG1 4.25Å; E37-V413 HydrophobicContact CG-CG1 4.2Å; E37-V413 HydrophobicContact CG-CG2 3.88Å; E37-K436 VanDerWaalsContact CD-CE 3.5Å; E37-K436 WeakPolarHBondContact OE1-CE 3.24Å; E37-K436 PolarHBondContact OE1-N 3.19Å; E37-K436 VanDerWaalsContact OE1-N 3.14Å; E37-K436 IonicContact OE1-NZ 3.8Å; E37-K436 PolarHBondContact OE1-NZ 3.23Å; E37-K436 WeakPolarHBondContact OE2-CE 3.2Å; E37-K436 IonicContact OE2-NZ 3.06Å; E37-K436 PolarHBondContact OE2-NZ 3.03Å
38	I	98.5	Very high	96.6	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.1	172.6	-48.3	-173.3	0	0	0	108.6	P115 I116 M117 L133 L134 C408 V409 Y410	I38-P115 WeakPolarHBondContact O-CA 3.22Å; I38-I116 HydrophobicContact CB-CG1 4.4Å; I38-I116 HydrophobicContact CG2-CD1 4.38Å; I38-I116 HydrophobicContact CG2-CG1 4.28Å; I38-I116 VanDerWaalsContact O-CG1 3.23Å; I38-I116 WeakPolarHBondContact O-CG1 3.19Å; I38-I116 PolarHBondContact O-N 2.95Å; I38-M117 HydrophobicContact CB-CB 4.01Å; I38-M117 HydrophobicContact CD1-CB 4.02Å; I38-M117 HydrophobicContact CD1-SD 4.12Å; I38-M117 HydrophobicContact CG1-CB 4.04Å; I38-M117 PolarHBondContact N-O 3.37Å; I38-M117 PolarHBondContact O-N 3.13Å; I38-L133 HydrophobicContact CD1-CB 4.07Å; I38-L134 HydrophobicContact CG2-CD2 4.01Å; I38-C408 HydrophobicContact CG2-CB 4.11Å; I38-V409 VanDerWaalsContact CA-O 3.28Å; I38-V409 WeakPolarHBondContact CA-O 3.11Å; I38-Y410 HydrophobicContact CD1-CD2 3.62Å; I38-Y410 HydrophobicContact CD1-CE2 3.86Å; I38-Y410 HydrophobicContact CG1-CD2 3.47Å; I38-Y410 VanDerWaalsContact CG1-CD2 3.47Å; I38-Y410 HydrophobicContact CG1-CE2 3.9Å; I38-Y410 HydrophobicContact CG1-CG 4.42Å
39	F	97.6	Very high	96.6	Very high	13 Å²	13	39.7 Å²	39.7	6%	0.057	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	168.5	174	63	-86.5	0	0	0	110.2	R41 V114 C408 V409 K411 T431	F39-R41 HydrophobicContact CE2-CG 4.43Å; F39-V114 VanDerWaalsContact CB-O 3.26Å; F39-V114 WeakPolarHBondContact CB-O 3.39Å; F39-C408 CarbonylContact O-C 3.51Å; F39-C408 VanDerWaalsContact O-CA 3.28Å; F39-C408 WeakPolarHBondContact O-CA 3.39Å; F39-V409 HydrophobicContact CD1-CG2 4.18Å; F39-V409 HydrophobicContact CD2-CG2 3.95Å; F39-V409 HydrophobicContact CE1-CG2 3.85Å; F39-V409 HydrophobicContact CE2-CG2 3.61Å; F39-V409 HydrophobicContact CG-CG2 4.23Å; F39-V409 HydrophobicContact CZ-CG2 3.56Å; F39-V409 PolarHBondContact N-O 2.64Å; F39-V409 VanDerWaalsContact N-O 3.15Å; F39-V409 WeakPolarHBondContact O-CG2 3.28Å; F39-V409 PolarHBondContact O-N 3.45Å; F39-K411 HydrophobicContact CE1-CB 4.17Å; F39-K411 HydrophobicContact CE1-CG 3.96Å; F39-K411 HydrophobicContact CZ-CG 4.2Å; F39-T431 HydrophobicContact CE1-CG2 4.27Å; F39-T431 HydrophobicContact CZ-CG2 4.37Å
40	F	97	Very high	96.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	159.5	173.5	59.6	-85.4	0	0	0	110.4	K42 N43 T50 V110 P112 K113 I116 L406	F40-K42 VanDerWaalsContact CD2-O 3.25Å; F40-K42 WeakPolarHBondContact CD2-O 3.49Å; F40-N43 WeakPolarHBondContact CE2-OD1 3.23Å; F40-T50 HydrophobicContact CE1-CG2 4.28Å; F40-T50 WeakPolarHBondContact CE2-OG1 3.26Å; F40-T50 HydrophobicContact CZ-CG2 4.11Å; F40-T50 WeakPolarHBondContact CZ-OG1 3.01Å; F40-V110 HydrophobicContact CE1-CB 4.25Å; F40-V110 HydrophobicContact CE1-CG2 3.66Å; F40-V110 HydrophobicContact CZ-CG2 4.03Å; F40-P112 HydrophobicContact CD2-CB 4.41Å; F40-P112 HydrophobicContact CD2-CG 4.25Å; F40-P112 HydrophobicContact CE2-CB 4.24Å; F40-P112 HydrophobicContact CE2-CG 3.74Å; F40-P112 CarbonylContact O-C 3.46Å; F40-P112 VanDerWaalsContact O-CA 3.31Å; F40-P112 WeakPolarHBondContact O-CA 3.33Å; F40-K113 PolarHBondContact O-N 3.18Å; F40-I116 HydrophobicContact CD1-CD1 4.34Å; F40-I116 HydrophobicContact CE1-CG2 4.23Å; F40-L406 HydrophobicContact CB-CD1 4.46Å; F40-L406 HydrophobicContact CB-CG 4.18Å; F40-L406 HydrophobicContact CD1-CD2 4.38Å; F40-L406 HydrophobicContact CD2-CD1 4.23Å; F40-L406 HydrophobicContact CG-CD1 4.25Å; F40-L406 HydrophobicContact CG-CD2 4.48Å; F40-L406 HydrophobicContact CG-CG 4.33Å
41	R	93.7	Very high	96.7	Very high	68 Å²	68	34.3 Å²	34.3	26%	0.257	17%	0.172	S	C	.	.	S	Bend	trans	-96.9	-22.9	-172.7	-65.4	-171.3	-175.5	87.6	1.3	115	F39 P112	F39-R41 HydrophobicContact CE2-CG 4.43Å; R41-P112 WeakPolarHBondContact O-CB 3.45Å
42	K	93.7	Very high	96.8	Very high	155 Å²	155	28.5 Å²	28.5	67%	0.674	14%	0.141	S	C	*	.	S	Bend	trans	-145.5	139.3	-178.7	-62.3	-176	-178.9	-178.9	0	109.1	F40	F40-K42 VanDerWaalsContact CD2-O 3.25Å; F40-K42 WeakPolarHBondContact CD2-O 3.49Å
43	N	96	Very high	96.8	Very high	13 Å²	13	26.6 Å²	26.6	7%	0.07	13%	0.131	C	C	.	.			trans	-61.4	148.9	170.4	-74.3	-54.8	0	0	0	109.7	F40 G47 E48 F49 T50 P112	F40-N43 WeakPolarHBondContact CE2-OD1 3.23Å; N43-G47 WeakPolarHBondContact CB-O 3.17Å; N43-E48 WeakPolarHBondContact ND2-CA 3.37Å; N43-E48 PolarHBondContact ND2-O 3.21Å; N43-F49 VanDerWaalsContact OD1-C 3.29Å; N43-T50 PolarHBondContact OD1-N 3.27Å; N43-T50 PolarHBondContact OD1-OG1 3.22Å; N43-P112 WeakPolarHBondContact ND2-CD 3.34Å
44	P	96	Very high	96.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-76.3	163.1	179.7	34.1	-35.5	0	0	0	111.9	N46 G47 T50 L142 T145 L406	P44-N46 PolarHBondContact O-N 2.99Å; P44-G47 PolarHBondContact O-N 2.92Å; P44-T50 WeakPolarHBondContact CD-OG1 3.41Å; P44-L142 HydrophobicContact CB-CD1 3.68Å; P44-L142 HydrophobicContact CG-CD1 4.32Å; P44-T145 HydrophobicContact CG-CG2 3.81Å; P44-L406 HydrophobicContact CB-CD1 4.14Å; P44-L406 HydrophobicContact CG-CD1 3.94Å
45	F	94.7	Very high	96.7	Very high	9 Å²	9	22.6 Å²	22.6	4%	0.039	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	61.6	25.6	169.4	-42.9	-58.5	0	0	0	114.9	G47 L142 T145 N146 C400 K402 Q403	F45-G47 PolarHBondContact O-N 3.22Å; F45-G47 VanDerWaalsContact O-N 3.09Å; F45-L142 HydrophobicContact CE1-CD1 4.1Å; F45-L142 HydrophobicContact CE2-CD1 4.02Å; F45-L142 HydrophobicContact CZ-CD1 3.49Å; F45-L142 VanDerWaalsContact CZ-CD1 3.49Å; F45-L142 HydrophobicContact CZ-CG 3.91Å; F45-T145 HydrophobicContact CD2-CG2 4.35Å; F45-T145 HydrophobicContact CE2-CG2 4.34Å; F45-N146 HydrophobicContact CE2-CB 3.7Å; F45-N146 HydrophobicContact CZ-CB 3.7Å; F45-C400 HydrophobicContact CE1-CB 3.97Å; F45-C400 HydrophobicContact CZ-CB 3.97Å; F45-K402 HydrophobicContact CD1-CB 3.85Å; F45-Q403 HydrophobicContact CD1-CB 3.75Å; F45-Q403 HydrophobicContact CE1-CB 3.8Å
46	N	92.6	Very high	96.6	Very high	148 Å²	148	25.3 Å²	25.3	79%	0.791	12%	0.119	S	C	*	.	G	3₁₀ helix	trans	53.7	24.7	-171.8	-57.3	-43.8	0	0	0	113.3	P44	P44-N46 PolarHBondContact O-N 2.99Å
47	G	94.4	Very high	96.4	Very high	4 Å²	4	25.2 Å²	25.2	4%	0.041	12%	0.119	C	C	.	.			trans	-87	179.9	172.4	0	0	0	0	0	112.3	N43 P44 F45	N43-G47 WeakPolarHBondContact CB-O 3.17Å; P44-G47 PolarHBondContact O-N 2.92Å; F45-G47 PolarHBondContact O-N 3.22Å; F45-G47 VanDerWaalsContact O-N 3.09Å
48	E	95.5	Very high	96.4	Very high	42 Å²	42	25.1 Å²	25.1	20%	0.196	12%	0.118	C	C	.	.	S	Bend	trans	-121.5	16.1	-179.6	-73	-68.4	165.8	0	0	113.8	N43 F111 P530 T531 Q532	N43-E48 WeakPolarHBondContact ND2-CA 3.37Å; N43-E48 PolarHBondContact ND2-O 3.21Å; E48-F111 VanDerWaalsContact O-CE1 3.26Å; E48-F111 WeakPolarHBondContact O-CE1 3.38Å; E48-P530 HydrophobicContact CB-CB 3.94Å; E48-P530 HydrophobicContact CB-CG 4.14Å; E48-P530 HydrophobicContact CG-CB 3.68Å; E48-P530 HydrophobicContact CG-CG 3.54Å; E48-T531 WeakPolarHBondContact CB-O 3.46Å; E48-T531 VanDerWaalsContact CG-O 3.29Å; E48-T531 WeakPolarHBondContact CG-O 3.3Å; E48-Q532 WeakPolarHBondContact OE2-CA 3.41Å
49	F	97.3	Very high	96.3	Very high	6 Å²	6	25.3 Å²	25.3	3%	0.026	12%	0.119	C	C	.	.			trans	-143.7	156.1	170.7	71.7	-90.5	0	0	0	111	N43 I51 V109 F111 T145 T148 R149 L152 L517 L520 K525	N43-F49 VanDerWaalsContact OD1-C 3.29Å; F49-I51 HydrophobicContact CD2-CD1 3.94Å; F49-I51 HydrophobicContact CD2-CG1 4.28Å; F49-I51 HydrophobicContact CE2-CD1 4.14Å; F49-I51 HydrophobicContact CE2-CG1 4.17Å; F49-V109 HydrophobicContact CB-CG1 4.1Å; F49-F111 HydrophobicContact CB-CE1 4.23Å; F49-T145 HydrophobicContact CE2-CG2 4.37Å; F49-T148 HydrophobicContact CE2-CG2 3.91Å; F49-T148 HydrophobicContact CZ-CG2 4.22Å; F49-R149 HydrophobicContact CZ-CG 3.98Å; F49-L152 HydrophobicContact CE1-CD1 3.99Å; F49-L152 HydrophobicContact CZ-CD1 3.73Å; F49-L517 HydrophobicContact CD2-CD1 4.08Å; F49-L517 HydrophobicContact CE1-CD1 4.34Å; F49-L517 HydrophobicContact CE2-CD1 3.87Å; F49-L517 HydrophobicContact CG-CD1 4.42Å; F49-L517 HydrophobicContact CZ-CD1 4.01Å; F49-L520 HydrophobicContact CB-CD1 3.9Å; F49-L520 HydrophobicContact CG-CD1 4.29Å; F49-K525 HydrophobicContact CD1-CG 4.46Å; F49-K525 HydrophobicContact CE1-CG 4.38Å
50	T	98.4	Very high	96.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	139.3	170.2	-57.7	0	0	0	0	108.1	F40 N43 P44 V109 V110 T145 L406	F40-T50 HydrophobicContact CE1-CG2 4.28Å; F40-T50 WeakPolarHBondContact CE2-OG1 3.26Å; F40-T50 HydrophobicContact CZ-CG2 4.11Å; F40-T50 WeakPolarHBondContact CZ-OG1 3.01Å; N43-T50 PolarHBondContact OD1-N 3.27Å; N43-T50 PolarHBondContact OD1-OG1 3.22Å; P44-T50 WeakPolarHBondContact CD-OG1 3.41Å; T50-V109 CarbonylContact O-C 3.48Å; T50-V109 WeakPolarHBondContact O-CA 3.38Å; T50-V110 HydrophobicContact CG2-CG2 4.05Å; T50-V110 PolarHBondContact N-O 2.87Å; T50-V110 WeakPolarHBondContact O-CG2 3.33Å; T50-V110 PolarHBondContact O-N 3.04Å; T50-T145 WeakPolarHBondContact CG2-OG1 3.34Å; T50-L406 HydrophobicContact CG2-CD1 4.2Å; T50-L406 HydrophobicContact CG2-CD2 4.16Å
51	I	98.6	Very high	96.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	115.7	170.9	-53.2	-55.6	0	0	0	107.8	F49 C107 V109 S141 T144 T145 T148 A513	F49-I51 HydrophobicContact CD2-CD1 3.94Å; F49-I51 HydrophobicContact CD2-CG1 4.28Å; F49-I51 HydrophobicContact CE2-CD1 4.14Å; F49-I51 HydrophobicContact CE2-CG1 4.17Å; I51-C107 HydrophobicContact CG2-CB 4.29Å; I51-V109 HydrophobicContact CD1-CG2 3.64Å; I51-S141 WeakPolarHBondContact O-CA 3.3Å; I51-T144 HydrophobicContact CB-CG2 3.95Å; I51-T144 HydrophobicContact CG2-CG2 3.57Å; I51-T145 PolarHBondContact N-OG1 3.22Å; I51-T145 PolarHBondContact O-OG1 3.07Å; I51-T148 HydrophobicContact CD1-CG2 4.49Å; I51-T148 HydrophobicContact CG1-CG2 4.13Å; I51-A513 HydrophobicContact CG2-CB 4.48Å
52	F	98.7	Very high	96.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.119	C	C	.	.			trans	-68.2	131.5	176.1	169.1	-98.5	0	0	0	110.3	L55 S103 V104 C107 S108 V110 I116 M117 I137	F52-L55 HydrophobicContact CE1-CB 3.87Å; F52-L55 HydrophobicContact CZ-CB 4.05Å; F52-S103 WeakPolarHBondContact CZ-OG 3.13Å; F52-V104 HydrophobicContact CB-CG2 3.86Å; F52-V104 HydrophobicContact CD1-CG2 3.31Å; F52-V104 HydrophobicContact CD2-CG2 3.94Å; F52-V104 HydrophobicContact CE1-CG2 3.69Å; F52-V104 HydrophobicContact CE2-CG2 4.29Å; F52-V104 HydrophobicContact CG-CG2 3.41Å; F52-V104 VanDerWaalsContact CG-CG2 3.41Å; F52-V104 HydrophobicContact CZ-CG2 4.16Å; F52-C107 WeakPolarHBondContact O-CA 3.29Å; F52-C107 PolarHBondContact O-N 3.32Å; F52-S108 WeakPolarHBondContact CB-O 3.36Å; F52-S108 PolarHBondContact N-O 3.14Å; F52-V110 HydrophobicContact CB-CG1 3.79Å; F52-V110 HydrophobicContact CB-CG2 3.85Å; F52-I116 HydrophobicContact CD2-CB 4.23Å; F52-I116 HydrophobicContact CD2-CD1 4.02Å; F52-I116 HydrophobicContact CE2-CD1 4.32Å; F52-M117 HydrophobicContact CE2-CE 4.01Å; F52-M117 HydrophobicContact CE2-CG 4.3Å; F52-M117 HydrophobicContact CZ-CE 3.58Å; F52-M117 HydrophobicContact CZ-CG 4.4Å; F52-I137 HydrophobicContact CD2-CG2 4.32Å; F52-I137 HydrophobicContact CE2-CD1 3.88Å; F52-I137 HydrophobicContact CE2-CG1 4.47Å; F52-I137 HydrophobicContact CE2-CG2 4.05Å; F52-I137 HydrophobicContact CZ-CD1 4.14Å
53	A	98.4	Very high	96.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.115	C	C	.	.			trans	-145.9	161.3	173.8	0	0	0	0	0	111.3	E106 I137 A140 S141 T144 Y180 L183	A53-E106 VanDerWaalsContact C-OE1 3.27Å; A53-E106 WeakPolarHBondContact CA-OE1 3.48Å; A53-I137 WeakPolarHBondContact O-CD1 3.5Å; A53-A140 VanDerWaalsContact C-CB 3.47Å; A53-A140 HydrophobicContact CB-CB 3.9Å; A53-A140 WeakPolarHBondContact O-CB 3.49Å; A53-S141 PolarHBondContact N-OG 2.84Å; A53-S141 PolarHBondContact O-OG 3.03Å; A53-S141 VanDerWaalsContact O-OG 3.14Å; A53-T144 HydrophobicContact CB-CG2 4.28Å; A53-T144 WeakPolarHBondContact CB-OG1 3.2Å; A53-Y180 HydrophobicContact CB-CD1 4.3Å; A53-L183 HydrophobicContact CB-CD1 4.46Å
54	G	97	Very high	96.3	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.131	C	C	.	.			trans	106.4	5.6	174.2	0	0	0	0	0	114.2	Q56 D57 C58 E106	G54-Q56 VanDerWaalsContact C-N 3.34Å; G54-Q56 PolarHBondContact O-N 2.92Å; G54-D57 PolarHBondContact O-N 3.34Å; G54-C58 PolarHBondContact O-N 3.38Å; G54-C58 VanDerWaalsContact O-N 3.11Å; G54-C58 PolarHBondContact O-SG 3.38Å; G54-C58 VanDerWaalsContact O-SG 3.39Å; G54-E106 PolarHBondContact N-OE1 3.5Å; G54-E106 PolarHBondContact N-OE2 3.5Å
55	L	97.9	Very high	96.3	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-59.9	-42.4	178.3	176.1	60.8	0	0	0	112.4	F52 D57 C58 I59 L101 E106 M117 Y493 L503	F52-L55 HydrophobicContact CE1-CB 3.87Å; F52-L55 HydrophobicContact CZ-CB 4.05Å; L55-D57 VanDerWaalsContact C-N 3.29Å; L55-D57 PolarHBondContact O-N 2.64Å; L55-C58 PolarHBondContact O-N 2.91Å; L55-I59 HydrophobicContact CD1-CG1 4.13Å; L55-I59 HydrophobicContact CG-CG1 4.49Å; L55-I59 WeakPolarHBondContact O-CG1 3.25Å; L55-I59 PolarHBondContact O-N 2.76Å; L55-L101 HydrophobicContact CD1-CD2 4.45Å; L55-E106 HydrophobicContact CB-CB 4.45Å; L55-E106 WeakPolarHBondContact CB-OE1 3.48Å; L55-E106 PolarHBondContact N-OE1 3.29Å; L55-E106 PolarHBondContact N-OE2 3.28Å; L55-M117 HydrophobicContact CD1-CE 3.84Å; L55-Y493 HydrophobicContact CD1-CD2 4.37Å; L55-Y493 HydrophobicContact CD1-CG 4.36Å; L55-Y493 HydrophobicContact CD2-CD1 4.02Å; L55-Y493 HydrophobicContact CD2-CD2 4.06Å; L55-Y493 HydrophobicContact CD2-CE1 3.8Å; L55-Y493 HydrophobicContact CD2-CE2 3.84Å; L55-Y493 HydrophobicContact CD2-CG 4.15Å; L55-L503 HydrophobicContact CD2-CD2 3.83Å; L55-L503 HydrophobicContact CG-CD2 4.11Å
56	Q	95.7	Very high	96.3	Very high	62 Å²	62	29.9 Å²	29.9	29%	0.29	16%	0.161	S	C	.	.	H	α-helix	trans	-58	-45.2	178	-179.4	66.7	61.5	0	0	111.4	G54 C58 I59 D60 E106 L503	G54-Q56 VanDerWaalsContact C-N 3.34Å; G54-Q56 PolarHBondContact O-N 2.92Å; Q56-C58 VanDerWaalsContact C-N 3.34Å; Q56-C58 PolarHBondContact O-N 3.21Å; Q56-I59 PolarHBondContact O-N 3.49Å; Q56-I59 VanDerWaalsContact O-N 3.15Å; Q56-D60 PolarHBondContact NE2-OD1 3.41Å; Q56-D60 PolarHBondContact NE2-OD2 3.33Å; Q56-D60 VanDerWaalsContact O-CG 3.28Å; Q56-D60 PolarHBondContact O-N 3.28Å; Q56-E106 PolarHBondContact N-OE2 2.96Å; Q56-L503 HydrophobicContact CB-CD1 4.19Å; Q56-L503 VanDerWaalsContact CD-CD1 3.43Å; Q56-L503 HydrophobicContact CG-CD1 4.41Å
57	D	95.2	Very high	96.6	Very high	7 Å²	7	22.9 Å²	22.9	4%	0.037	12%	0.124	C	C	.	.	H	α-helix	trans	-67.1	-38	-176.9	-53.8	-52.1	0	0	0	110.8	H4 G54 L55 I59 D60 Y61 L136 K179 Y180	H4-D57 WeakPolarHBondContact NE2-CB 3.49Å; H4-D57 IonicContact NE2-OD1 3.89Å; G54-D57 PolarHBondContact O-N 3.34Å; L55-D57 VanDerWaalsContact C-N 3.29Å; L55-D57 PolarHBondContact O-N 2.64Å; D57-I59 PolarHBondContact O-N 2.98Å; D57-D60 PolarHBondContact O-N 3.26Å; D57-Y61 WeakPolarHBondContact O-CB 3.45Å; D57-Y61 PolarHBondContact O-N 3.42Å; D57-L136 HydrophobicContact CB-CD1 4.38Å; D57-L136 HydrophobicContact CB-CD2 4.02Å; D57-K179 IonicContact OD1-NZ 2.99Å; D57-K179 PolarHBondContact OD1-NZ 2.82Å; D57-K179 IonicContact OD2-NZ 2.9Å; D57-K179 PolarHBondContact OD2-NZ 3.13Å; D57-Y180 PolarHBondContact OD2-OH 3.34Å
58	C	97.3	Very high	96.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.2	-40	171.9	-68.1	0	0	0	0	112.9	G54 L55 Q56 L62 M117 L133 I137	G54-C58 PolarHBondContact O-N 3.38Å; G54-C58 VanDerWaalsContact O-N 3.11Å; G54-C58 PolarHBondContact O-SG 3.38Å; G54-C58 VanDerWaalsContact O-SG 3.39Å; L55-C58 PolarHBondContact O-N 2.91Å; Q56-C58 VanDerWaalsContact C-N 3.34Å; Q56-C58 PolarHBondContact O-N 3.21Å; C58-L62 WeakPolarHBondContact O-CG 3.48Å; C58-L62 PolarHBondContact O-N 2.95Å; C58-M117 HydrophobicContact CB-CE 4.19Å; C58-L133 HydrophobicContact CB-CD2 3.67Å; C58-L133 VanDerWaalsContact SG-CD2 3.53Å; C58-I137 VanDerWaalsContact SG-CD1 3.58Å
59	I	97.1	Very high	96.8	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-69.4	-40.9	178.2	-68.3	-62.4	0	0	0	111	L55 Q56 D57 Y61 L62 S63 L101 W494 L499 L503	L55-I59 HydrophobicContact CD1-CG1 4.13Å; L55-I59 HydrophobicContact CG-CG1 4.49Å; L55-I59 WeakPolarHBondContact O-CG1 3.25Å; L55-I59 PolarHBondContact O-N 2.76Å; Q56-I59 PolarHBondContact O-N 3.49Å; Q56-I59 VanDerWaalsContact O-N 3.15Å; D57-I59 PolarHBondContact O-N 2.98Å; I59-Y61 VanDerWaalsContact C-N 3.31Å; I59-Y61 PolarHBondContact O-N 3.31Å; I59-L62 PolarHBondContact O-N 2.91Å; I59-S63 WeakPolarHBondContact O-CB 3.47Å; I59-S63 PolarHBondContact O-N 2.55Å; I59-L101 HydrophobicContact CD1-CD2 4.06Å; I59-W494 HydrophobicContact CD1-CB 4.03Å; I59-W494 HydrophobicContact CD1-CE3 4.04Å; I59-W494 HydrophobicContact CG2-CE3 4.22Å; I59-W494 HydrophobicContact CG2-CZ3 4.22Å; I59-L499 HydrophobicContact CD1-CD1 4.33Å; I59-L499 HydrophobicContact CG1-CD1 4.43Å; I59-L499 HydrophobicContact CG2-CD1 3.96Å; I59-L503 HydrophobicContact CB-CD1 4.06Å; I59-L503 HydrophobicContact CG1-CD1 4.02Å; I59-L503 HydrophobicContact CG2-CD1 4.19Å
60	D	95.1	Very high	96.8	Very high	57 Å²	57	34.1 Å²	34.1	31%	0.305	18%	0.183	S	C	.	.	H	α-helix	trans	-64.2	-38.4	177	-65.3	-18.9	0	0	0	111.2	Q56 D57 S63 S64	Q56-D60 PolarHBondContact NE2-OD1 3.41Å; Q56-D60 PolarHBondContact NE2-OD2 3.33Å; Q56-D60 VanDerWaalsContact O-CG 3.28Å; Q56-D60 PolarHBondContact O-N 3.28Å; D57-D60 PolarHBondContact O-N 3.26Å; D60-S63 PolarHBondContact O-N 3.14Å; D60-S64 PolarHBondContact O-N 2.82Å; D60-S64 VanDerWaalsContact O-N 3.14Å; D60-S64 PolarHBondContact O-OG 3.28Å
61	Y	96	Very high	96.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.5	-54.7	171.5	170.5	-129	0	0	0	111.8	V8 D57 I59 S63 S64 F65 V129 T132 L133	V8-Y61 HydrophobicContact CG1-CD2 3.55Å; V8-Y61 HydrophobicContact CG1-CE2 4.3Å; V8-Y61 HydrophobicContact CG1-CG 3.8Å; D57-Y61 WeakPolarHBondContact O-CB 3.45Å; D57-Y61 PolarHBondContact O-N 3.42Å; I59-Y61 VanDerWaalsContact C-N 3.31Å; I59-Y61 PolarHBondContact O-N 3.31Å; Y61-S63 PolarHBondContact O-N 2.9Å; Y61-S64 CarbonylContact O-C 3.54Å; Y61-S64 PolarHBondContact O-N 2.79Å; Y61-S64 PolarHBondContact O-OG 2.86Å; Y61-F65 HydrophobicContact CE1-CD2 4.29Å; Y61-F65 AromaticContact CE2-CD2 3.75Å; Y61-F65 HydrophobicContact CE2-CD2 3.75Å; Y61-F65 HydrophobicContact CE2-CE2 4.46Å; Y61-F65 AromaticContact CZ-CD2 3.57Å; Y61-F65 AromaticContact CZ-CE2 3.99Å; Y61-F65 PolarHBondContact O-N 3.29Å; Y61-F65 WeakPolarHBondContact OH-CD2 3.32Å; Y61-F65 WeakPolarHBondContact OH-CE2 3.39Å; Y61-V129 HydrophobicContact CE1-CB 4.14Å; Y61-V129 HydrophobicContact CE1-CG1 4.04Å; Y61-T132 HydrophobicContact CD1-CG2 3.62Å; Y61-T132 HydrophobicContact CD2-CG2 4.06Å; Y61-T132 HydrophobicContact CE1-CG2 3.46Å; Y61-T132 VanDerWaalsContact CE1-CG2 3.46Å; Y61-T132 HydrophobicContact CE2-CG2 3.93Å; Y61-T132 HydrophobicContact CG-CG2 3.89Å; Y61-T132 PolarHBondContact OH-OG1 3.07Å; Y61-L133 HydrophobicContact CD1-CD2 4.28Å
62	L	96.9	Very high	96.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.8	-30.6	-179.7	-69.2	177.9	0	0	0	112.9	C58 I59 T96 L99 L101 V129 W494	C58-L62 WeakPolarHBondContact O-CG 3.48Å; C58-L62 PolarHBondContact O-N 2.95Å; I59-L62 PolarHBondContact O-N 2.91Å; L62-T96 HydrophobicContact CD2-CG2 4.19Å; L62-T96 WeakPolarHBondContact O-CG2 3.49Å; L62-T96 PolarHBondContact O-OG1 3.29Å; L62-T96 VanDerWaalsContact O-OG1 3.04Å; L62-L99 HydrophobicContact CD1-CD2 3.9Å; L62-L99 HydrophobicContact CD2-CD2 4Å; L62-L101 HydrophobicContact CD1-CB 4.1Å; L62-L101 HydrophobicContact CD1-CD2 3.82Å; L62-L101 HydrophobicContact CD1-CG 4.5Å; L62-V129 HydrophobicContact CD2-CG1 4.06Å; L62-W494 HydrophobicContact CB-CD2 3.91Å; L62-W494 HydrophobicContact CB-CE3 4.25Å; L62-W494 HydrophobicContact CB-CG 4.35Å; L62-W494 HydrophobicContact CB-CZ2 4.14Å; L62-W494 HydrophobicContact CD1-CB 4.01Å; L62-W494 HydrophobicContact CD1-CD2 4.2Å; L62-W494 HydrophobicContact CD1-CG 3.81Å; L62-W494 WeakPolarHBondContact O-CZ2 3.23Å
63	S	95.2	Very high	96.7	Very high	84 Å²	84	37.9 Å²	37.9	59%	0.587	20%	0.203	S	C	*	.	H	α-helix	trans	-75	-23.3	176.4	-171.4	0	0	0	0	114.2	I59 D60 Y61	I59-S63 WeakPolarHBondContact O-CB 3.47Å; I59-S63 PolarHBondContact O-N 2.55Å; D60-S63 PolarHBondContact O-N 3.14Å; Y61-S63 PolarHBondContact O-N 2.9Å
64	S	94.4	Very high	96.6	Very high	59 Å²	59	44.2 Å²	44.2	41%	0.413	23%	0.228	S	C	.	.	H	α-helix	trans	-108.5	-1.2	179.5	55.6	0	0	0	0	113.3	D60 Y61 K66	D60-S64 PolarHBondContact O-N 2.82Å; D60-S64 VanDerWaalsContact O-N 3.14Å; D60-S64 PolarHBondContact O-OG 3.28Å; Y61-S64 CarbonylContact O-C 3.54Å; Y61-S64 PolarHBondContact O-N 2.79Å; Y61-S64 PolarHBondContact O-OG 2.86Å; S64-K66 PolarHBondContact O-N 3.26Å; S64-K66 VanDerWaalsContact O-N 3.13Å
65	F	96	Very high	96.7	Very high	11 Å²	11	44.3 Å²	44.3	5%	0.048	23%	0.228	C	C	.	.			trans	-59.2	113.2	-179.9	-175.3	-78.4	0	0	0	111.2	P10 Y61 F67 I94 T96 L125 L128 V129	P10-F65 HydrophobicContact CB-CD2 4.22Å; P10-F65 HydrophobicContact CB-CE2 3.73Å; P10-F65 HydrophobicContact CB-CZ 3.91Å; P10-F65 HydrophobicContact CG-CD1 4.34Å; P10-F65 HydrophobicContact CG-CD2 3.82Å; P10-F65 HydrophobicContact CG-CE1 4.32Å; P10-F65 HydrophobicContact CG-CE2 3.82Å; P10-F65 HydrophobicContact CG-CG 4.08Å; P10-F65 HydrophobicContact CG-CZ 4.07Å; Y61-F65 HydrophobicContact CE1-CD2 4.29Å; Y61-F65 AromaticContact CE2-CD2 3.75Å; Y61-F65 HydrophobicContact CE2-CD2 3.75Å; Y61-F65 HydrophobicContact CE2-CE2 4.46Å; Y61-F65 AromaticContact CZ-CD2 3.57Å; Y61-F65 AromaticContact CZ-CE2 3.99Å; Y61-F65 PolarHBondContact O-N 3.29Å; Y61-F65 WeakPolarHBondContact OH-CD2 3.32Å; Y61-F65 WeakPolarHBondContact OH-CE2 3.39Å; F65-F67 HydrophobicContact CE1-CE2 4.41Å; F65-F67 HydrophobicContact CZ-CE2 4.04Å; F65-I94 HydrophobicContact CE1-CG2 3.9Å; F65-T96 HydrophobicContact CB-CG2 3.59Å; F65-T96 HydrophobicContact CD1-CG2 3.84Å; F65-T96 HydrophobicContact CG-CG2 3.77Å; F65-L125 HydrophobicContact CE1-CD1 4.11Å; F65-L125 HydrophobicContact CZ-CD1 4.2Å; F65-L128 HydrophobicContact CZ-CB 4.35Å; F65-L128 HydrophobicContact CZ-CD1 4.47Å; F65-V129 HydrophobicContact CD2-CG1 4.31Å; F65-V129 HydrophobicContact CE2-CG1 4.07Å
66	K	95.6	Very high	96.6	Very high	142 Å²	142	49.2 Å²	49.2	62%	0.617	25%	0.247	S	C	*	.			trans	-165	130.7	172	-173.5	178	178.3	-178	0	109.6	S64	S64-K66 PolarHBondContact O-N 3.26Å; S64-K66 VanDerWaalsContact O-N 3.13Å
67	F	97.3	Very high	96.7	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.009	27%	0.269	C	S	.	.			trans	-70.1	134.3	168.5	-75.7	-82.3	0	0	0	110	P10 L18 F65 D71 I72 L75 L91 L92 L128	P10-F67 HydrophobicContact CB-CD1 4Å; P10-F67 HydrophobicContact CB-CD2 4.12Å; P10-F67 HydrophobicContact CB-CE1 3.68Å; P10-F67 HydrophobicContact CB-CE2 3.81Å; P10-F67 HydrophobicContact CB-CG 4.21Å; P10-F67 HydrophobicContact CB-CZ 3.57Å; L18-F67 HydrophobicContact CD2-CE1 4.45Å; L18-F67 HydrophobicContact CD2-CZ 4.31Å; F65-F67 HydrophobicContact CE1-CE2 4.41Å; F65-F67 HydrophobicContact CZ-CE2 4.04Å; F67-D71 HydrophobicContact CD1-CB 4.08Å; F67-I72 HydrophobicContact CB-CD1 4.41Å; F67-L75 HydrophobicContact CD1-CD1 4.4Å; F67-L75 HydrophobicContact CE1-CD1 4.1Å; F67-L91 HydrophobicContact CD2-CB 4.2Å; F67-L91 VanDerWaalsContact CD2-O 3.29Å; F67-L91 WeakPolarHBondContact CD2-O 3.42Å; F67-L91 HydrophobicContact CE2-CB 4.48Å; F67-L91 HydrophobicContact CE2-CD2 4.06Å; F67-L91 HydrophobicContact CG-CB 4.38Å; F67-L91 HydrophobicContact CZ-CD2 4.29Å; F67-L92 HydrophobicContact CB-CD2 4.46Å; F67-L128 HydrophobicContact CE2-CD1 4.07Å; F67-L128 HydrophobicContact CZ-CD1 4.45Å; F67-L128 HydrophobicContact CZ-CD2 4.24Å
68	T	96.5	Very high	96.8	Very high	59 Å²	59	56.8 Å²	56.8	36%	0.362	28%	0.283	S	S	.	.			trans	-96.4	164.2	174.7	69.4	0	0	0	0	110.7	D70 D71 I72	T68-D70 PolarHBondContact O-N 2.71Å; T68-D71 WeakPolarHBondContact CB-OD2 3.46Å; T68-D71 PolarHBondContact N-OD2 3.34Å; T68-D71 WeakPolarHBondContact O-CB 3.44Å; T68-D71 PolarHBondContact O-N 2.89Å; T68-D71 PolarHBondContact OG1-N 3.23Å; T68-D71 PolarHBondContact OG1-OD2 3.34Å; T68-I72 WeakPolarHBondContact O-CG1 3.32Å; T68-I72 PolarHBondContact O-N 2.75Å
69	Q	97.9	Very high	96.8	Very high	103 Å²	103	57.2 Å²	57.2	48%	0.481	29%	0.285	S	S	.	.	H	α-helix	trans	-60.3	-36	174.6	-170.9	60.2	50.4	0	0	111.8	I72 D73	Q69-I72 PolarHBondContact O-N 2.92Å; Q69-D73 PolarHBondContact NE2-OD1 2.92Å; Q69-D73 PolarHBondContact O-N 3.03Å
70	D	97.3	Very high	96.8	Very high	126 Å²	126	60.5 Å²	60.5	67%	0.674	31%	0.307	S	S	*	.	H	α-helix	trans	-63.2	-43.3	177.1	-172.5	62.9	0	0	0	111.8	T68 I72 D73 Y74	T68-D70 PolarHBondContact O-N 2.71Å; D70-I72 VanDerWaalsContact C-N 3.29Å; D70-I72 PolarHBondContact O-N 2.87Å; D70-D73 PolarHBondContact O-N 3.43Å; D70-Y74 PolarHBondContact O-N 2.81Å
71	D	97	Very high	96.9	Very high	9 Å²	9	63.8 Å²	63.8	5%	0.048	33%	0.334	C	S	.	.	H	α-helix	trans	-57	-45.9	174.3	-60.3	-51.4	0	0	0	110.8	F67 T68 Y74 L75	F67-D71 HydrophobicContact CD1-CB 4.08Å; T68-D71 WeakPolarHBondContact CB-OD2 3.46Å; T68-D71 PolarHBondContact N-OD2 3.34Å; T68-D71 WeakPolarHBondContact O-CB 3.44Å; T68-D71 PolarHBondContact O-N 2.89Å; T68-D71 PolarHBondContact OG1-N 3.23Å; T68-D71 PolarHBondContact OG1-OD2 3.34Å; D71-Y74 PolarHBondContact O-N 3.43Å; D71-L75 WeakPolarHBondContact O-CB 3.5Å; D71-L75 VanDerWaalsContact O-CG 3.25Å; D71-L75 WeakPolarHBondContact O-CG 3.15Å; D71-L75 PolarHBondContact O-N 3.34Å
72	I	98.1	Very high	96.9	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-66.1	-43.3	-179.2	-64.4	-61.1	0	0	0	112.2	F67 T68 Q69 D70 Y74 L75 R76 F88 L91 L92	F67-I72 HydrophobicContact CB-CD1 4.41Å; T68-I72 WeakPolarHBondContact O-CG1 3.32Å; T68-I72 PolarHBondContact O-N 2.75Å; Q69-I72 PolarHBondContact O-N 2.92Å; D70-I72 VanDerWaalsContact C-N 3.29Å; D70-I72 PolarHBondContact O-N 2.87Å; I72-Y74 PolarHBondContact O-N 3.34Å; I72-L75 HydrophobicContact CD1-CD1 4.44Å; I72-L75 PolarHBondContact O-N 2.86Å; I72-L75 VanDerWaalsContact O-N 3.14Å; I72-R76 HydrophobicContact CG2-CG 4.4Å; I72-R76 WeakPolarHBondContact O-CG 3.26Å; I72-R76 PolarHBondContact O-N 2.97Å; I72-F88 HydrophobicContact CD1-CB 4.48Å; I72-F88 HydrophobicContact CG2-CB 3.73Å; I72-F88 HydrophobicContact CG2-CD1 4.17Å; I72-F88 HydrophobicContact CG2-CG 4.21Å; I72-L91 HydrophobicContact CD1-CB 3.72Å; I72-L91 HydrophobicContact CD1-CD1 4.18Å; I72-L92 HydrophobicContact CD1-CD2 4.37Å; I72-L92 HydrophobicContact CD1-CG 4.07Å; I72-L92 HydrophobicContact CG1-CD1 4.07Å; I72-L92 HydrophobicContact CG1-CD2 3.56Å; I72-L92 HydrophobicContact CG1-CG 3.57Å
73	D	98.1	Very high	96.9	Very high	70 Å²	70	69.9 Å²	69.9	37%	0.374	37%	0.372	S	S	.	.	H	α-helix	trans	-62.5	-34	178.9	-69.2	-10	0	0	0	111.1	Q69 D70 K77	Q69-D73 PolarHBondContact NE2-OD1 2.92Å; Q69-D73 PolarHBondContact O-N 3.03Å; D70-D73 PolarHBondContact O-N 3.43Å; D73-K77 WeakPolarHBondContact O-CG 3.49Å
74	Y	98	Very high	97	Very high	133 Å²	133	67.6 Å²	67.6	52%	0.522	35%	0.353	S	S	.	.	H	α-helix	trans	-70.2	-47.8	169.8	176	-100.1	0	0	0	112.2	I11 D70 D71 I72 R76 K77 V78	I11-Y74 HydrophobicContact CD1-CD1 3.52Å; I11-Y74 HydrophobicContact CD1-CE1 3.9Å; D70-Y74 PolarHBondContact O-N 2.81Å; D71-Y74 PolarHBondContact O-N 3.43Å; I72-Y74 PolarHBondContact O-N 3.34Å; Y74-R76 VanDerWaalsContact C-N 3.29Å; Y74-R76 PolarHBondContact O-N 3.02Å; Y74-K77 WeakPolarHBondContact O-CA 3.39Å; Y74-K77 WeakPolarHBondContact O-CB 3.4Å; Y74-K77 PolarHBondContact O-N 3.4Å; Y74-V78 HydrophobicContact CD1-CG1 4.49Å; Y74-V78 HydrophobicContact CD1-CG2 4.19Å; Y74-V78 HydrophobicContact CD2-CG1 4.3Å; Y74-V78 HydrophobicContact CE1-CG1 3.95Å; Y74-V78 HydrophobicContact CE1-CG2 3.89Å; Y74-V78 HydrophobicContact CE2-CG1 3.71Å; Y74-V78 PolarHBondContact O-N 3.33Å
75	L	98	Very high	97.2	Very high	1 Å²	1	68.3 Å²	68.3	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-58.6	-38.4	179.8	-71.7	178.9	0	0	0	112.7	I11 L18 F67 D71 I72 K77 V78 M79 F88 L91	I11-L75 HydrophobicContact CD1-CD2 3.96Å; I11-L75 HydrophobicContact CD1-CG 4.18Å; L18-L75 HydrophobicContact CD1-CD2 3.55Å; L18-L75 HydrophobicContact CD2-CD1 4.09Å; L18-L75 HydrophobicContact CD2-CD2 4.36Å; F67-L75 HydrophobicContact CD1-CD1 4.4Å; F67-L75 HydrophobicContact CE1-CD1 4.1Å; D71-L75 WeakPolarHBondContact O-CB 3.5Å; D71-L75 VanDerWaalsContact O-CG 3.25Å; D71-L75 WeakPolarHBondContact O-CG 3.15Å; D71-L75 PolarHBondContact O-N 3.34Å; I72-L75 HydrophobicContact CD1-CD1 4.44Å; I72-L75 PolarHBondContact O-N 2.86Å; I72-L75 VanDerWaalsContact O-N 3.14Å; L75-K77 PolarHBondContact O-N 2.93Å; L75-V78 HydrophobicContact CD2-CG2 4.24Å; L75-V78 PolarHBondContact O-N 3.3Å; L75-M79 WeakPolarHBondContact O-CB 3.32Å; L75-M79 WeakPolarHBondContact O-CG 3.44Å; L75-M79 PolarHBondContact O-N 3.42Å; L75-F88 HydrophobicContact CB-CD1 4.32Å; L75-F88 HydrophobicContact CB-CE1 3.98Å; L75-L91 HydrophobicContact CD1-CD1 3.81Å
76	R	97.1	Very high	97.3	Very high	104 Å²	104	72.4 Å²	72.4	39%	0.392	38%	0.379	S	S	.	.	H	α-helix	trans	-58.8	-28.7	173.4	-75.1	178.8	-172.5	-99.6	1.9	113.2	I72 Y74 F88 D89	I72-R76 HydrophobicContact CG2-CG 4.4Å; I72-R76 WeakPolarHBondContact O-CG 3.26Å; I72-R76 PolarHBondContact O-N 2.97Å; Y74-R76 VanDerWaalsContact C-N 3.29Å; Y74-R76 PolarHBondContact O-N 3.02Å; R76-F88 HydrophobicContact CB-CE1 4.42Å; R76-F88 HydrophobicContact CB-CZ 4.3Å; R76-F88 HydrophobicContact CG-CD1 3.83Å; R76-F88 HydrophobicContact CG-CD2 3.77Å; R76-F88 HydrophobicContact CG-CE1 3.77Å; R76-F88 HydrophobicContact CG-CE2 3.73Å; R76-F88 HydrophobicContact CG-CG 3.83Å; R76-F88 HydrophobicContact CG-CZ 3.73Å; R76-D89 IonicContact NH2-OD1 3.97Å
77	K	97.1	Very high	97.4	Very high	171 Å²	171	65.7 Å²	65.7	74%	0.743	35%	0.349	S	S	*	.	H	α-helix	trans	-84	-34.8	179.5	-65	168.9	-173.7	168.1	0	112.7	D73 Y74 L75	D73-K77 WeakPolarHBondContact O-CG 3.49Å; Y74-K77 WeakPolarHBondContact O-CA 3.39Å; Y74-K77 WeakPolarHBondContact O-CB 3.4Å; Y74-K77 PolarHBondContact O-N 3.4Å; L75-K77 PolarHBondContact O-N 2.93Å
78	V	97.3	Very high	97.4	Very high	57 Å²	57	66 Å²	66	35%	0.345	35%	0.351	S	S	.	.	H	α-helix	trans	-95.7	-25.3	-173.5	-60.7	0	0	0	0	113.9	F15 Y74 L75	F15-V78 HydrophobicContact CE2-CG2 4.45Å; Y74-V78 HydrophobicContact CD1-CG1 4.49Å; Y74-V78 HydrophobicContact CD1-CG2 4.19Å; Y74-V78 HydrophobicContact CD2-CG1 4.3Å; Y74-V78 HydrophobicContact CE1-CG1 3.95Å; Y74-V78 HydrophobicContact CE1-CG2 3.89Å; Y74-V78 HydrophobicContact CE2-CG1 3.71Å; Y74-V78 PolarHBondContact O-N 3.33Å; L75-V78 HydrophobicContact CD2-CG2 4.24Å; L75-V78 PolarHBondContact O-N 3.3Å
79	M	97.7	Very high	97.5	Very high	9 Å²	9	67.4 Å²	67.4	4%	0.044	36%	0.356	C	S	.	.	S	Bend	trans	-77.4	153.9	172.9	-66.5	-167.8	84.7	0	0	111	F15 T19 L75 S81 V83 F87 F88	F15-M79 HydrophobicContact CE2-CG 4.05Å; F15-M79 HydrophobicContact CZ-CG 4.36Å; T19-M79 HydrophobicContact CG2-CE 4.32Å; L75-M79 WeakPolarHBondContact O-CB 3.32Å; L75-M79 WeakPolarHBondContact O-CG 3.44Å; L75-M79 PolarHBondContact O-N 3.42Å; M79-S81 PolarHBondContact O-N 3.36Å; M79-V83 HydrophobicContact CB-CG2 4.07Å; M79-V83 HydrophobicContact CE-CG2 4.07Å; M79-F87 HydrophobicContact CE-CE1 4.09Å; M79-F87 HydrophobicContact SD-CE1 4.1Å; M79-F88 HydrophobicContact SD-CE1 4.07Å; M79-F88 HydrophobicContact SD-CZ 4.44Å
80	P	96.9	Very high	97.5	Very high	74 Å²	74	64.4 Å²	64.4	48%	0.481	34%	0.341	S	S	.	.			trans	-54.6	141.7	176.4	-26	34.8	0	0	0	112.1	T82 V83	P80-T82 PolarHBondContact O-N 3.45Å; P80-V83 HydrophobicContact CB-CG2 4.48Å; P80-V83 WeakPolarHBondContact O-CB 3.47Å; P80-V83 WeakPolarHBondContact O-CG2 3.33Å; P80-V83 PolarHBondContact O-N 3.1Å
81	S	95.8	Very high	97.5	Very high	125 Å²	125	58.4 Å²	58.4	87%	0.874	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-11.4	178.7	62.4	0	0	0	0	114.1	M79 V83	M79-S81 PolarHBondContact O-N 3.36Å; S81-V83 VanDerWaalsContact C-N 3.3Å
82	T	96.4	Very high	97.5	Very high	116 Å²	116	60.4 Å²	60.4	71%	0.712	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-3.6	174	57.3	0	0	0	0	113.3	Y22 P80 D84	Y22-T82 PolarHBondContact OH-O 2.86Å; P80-T82 PolarHBondContact O-N 3.45Å; T82-D84 PolarHBondContact O-N 3.37Å
83	V	97.8	Very high	97.5	Very high	12 Å²	12	64.3 Å²	64.3	7%	0.073	35%	0.346	C	S	.	.	S	Bend	trans	-68.1	130.6	173.4	171.8	0	0	0	0	109.1	Y22 M79 P80 S81 F87 F88	Y22-V83 HydrophobicContact CD1-CG2 4.01Å; Y22-V83 HydrophobicContact CD2-CG1 3.88Å; Y22-V83 HydrophobicContact CE1-CG2 3.93Å; Y22-V83 HydrophobicContact CE2-CB 4.45Å; Y22-V83 HydrophobicContact CE2-CG1 3.88Å; Y22-V83 HydrophobicContact CG-CG1 4.28Å; Y22-V83 HydrophobicContact CG-CG2 4.37Å; M79-V83 HydrophobicContact CB-CG2 4.07Å; M79-V83 HydrophobicContact CE-CG2 4.07Å; P80-V83 HydrophobicContact CB-CG2 4.48Å; P80-V83 WeakPolarHBondContact O-CB 3.47Å; P80-V83 WeakPolarHBondContact O-CG2 3.33Å; P80-V83 PolarHBondContact O-N 3.1Å; S81-V83 VanDerWaalsContact C-N 3.3Å; V83-F87 HydrophobicContact CG1-CB 4.3Å; V83-F87 HydrophobicContact CG1-CD1 3.9Å; V83-F87 HydrophobicContact CG1-CG 4.49Å; V83-F88 HydrophobicContact CB-CE2 4.5Å; V83-F88 HydrophobicContact CB-CZ 4.34Å; V83-F88 HydrophobicContact CG1-CE2 3.87Å; V83-F88 HydrophobicContact CG1-CZ 3.77Å
84	D	97.9	Very high	97.3	Very high	37 Å²	37	61.7 Å²	61.7	20%	0.198	33%	0.332	C	S	.	.			trans	-58.8	124.7	178.9	-156.3	-45	0	0	0	111.2	Y22 W25 K26 T82 D86 F87	Y22-D84 HydrophobicContact CE2-CB 3.96Å; Y22-D84 PolarHBondContact OH-N 2.85Å; W25-D84 HydrophobicContact CH2-CB 4.06Å; W25-D84 HydrophobicContact CZ3-CB 3.67Å; K26-D84 IonicContact NZ-OD2 3.21Å; K26-D84 PolarHBondContact NZ-OD2 3.17Å; T82-D84 PolarHBondContact O-N 3.37Å; D84-D86 PolarHBondContact O-N 2.54Å; D84-D86 VanDerWaalsContact O-N 3.15Å; D84-D86 PolarHBondContact OD1-N 3.11Å; D84-F87 VanDerWaalsContact O-CB 3.27Å; D84-F87 WeakPolarHBondContact O-CB 3.23Å; D84-F87 PolarHBondContact O-N 3.07Å
85	P	96.9	Very high	97.2	Very high	73 Å²	73	58.2 Å²	58.2	47%	0.474	32%	0.323	S	S	.	.	H	α-helix	trans	-54.5	-32.5	179.3	-28.8	36.8	0	0	0	114.1	F87 F88	P85-F87 PolarHBondContact O-N 2.82Å; P85-F88 WeakPolarHBondContact O-CB 3.47Å; P85-F88 WeakPolarHBondContact O-CD2 3.47Å; P85-F88 PolarHBondContact O-N 3.18Å; P85-F88 VanDerWaalsContact O-N 3.14Å
86	D	98	Very high	97.2	Very high	98 Å²	98	58.8 Å²	58.8	52%	0.524	33%	0.326	S	S	.	.	H	α-helix	trans	-67.2	-21.5	-179.1	-67.3	-2.1	0	0	0	112.1	W25 D84 F88 D89 Y90	W25-D86 HydrophobicContact CH2-CB 3.9Å; W25-D86 HydrophobicContact CZ2-CB 4Å; D84-D86 PolarHBondContact O-N 2.54Å; D84-D86 VanDerWaalsContact O-N 3.15Å; D84-D86 PolarHBondContact OD1-N 3.11Å; D86-F88 VanDerWaalsContact C-N 3.27Å; D86-F88 PolarHBondContact O-N 2.99Å; D86-D89 PolarHBondContact O-N 3.44Å; D86-Y90 PolarHBondContact O-N 3.05Å
87	F	98.3	Very high	97.2	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-64.3	-33.8	174.3	176.3	-113.5	0	0	0	112	Y22 W25 M79 V83 D84 P85 Y90 L91	Y22-F87 HydrophobicContact CD2-CB 3.94Å; Y22-F87 AromaticContact CD2-CD1 3.92Å; Y22-F87 HydrophobicContact CD2-CD1 3.92Å; Y22-F87 HydrophobicContact CD2-CD2 4.05Å; Y22-F87 HydrophobicContact CD2-CE1 4.45Å; Y22-F87 AromaticContact CD2-CG 3.68Å; Y22-F87 HydrophobicContact CD2-CG 3.68Å; Y22-F87 HydrophobicContact CE2-CB 4.31Å; Y22-F87 HydrophobicContact CG-CD1 4.38Å; Y22-F87 HydrophobicContact CG-CG 4.5Å; W25-F87 HydrophobicContact CB-CD2 3.86Å; W25-F87 HydrophobicContact CB-CE2 4.01Å; W25-F87 HydrophobicContact CD2-CB 4.34Å; W25-F87 AromaticContact CD2-CD2 3.91Å; W25-F87 HydrophobicContact CD2-CD2 3.91Å; W25-F87 HydrophobicContact CE3-CB 4.1Å; W25-F87 HydrophobicContact CE3-CD2 4.21Å; W25-F87 AromaticContact CG-CD2 3.76Å; W25-F87 HydrophobicContact CG-CD2 3.76Å; W25-F87 HydrophobicContact CG-CE2 4.33Å; W25-F87 HydrophobicContact CZ3-CB 4.21Å; M79-F87 HydrophobicContact CE-CE1 4.09Å; M79-F87 HydrophobicContact SD-CE1 4.1Å; V83-F87 HydrophobicContact CG1-CB 4.3Å; V83-F87 HydrophobicContact CG1-CD1 3.9Å; V83-F87 HydrophobicContact CG1-CG 4.49Å; D84-F87 VanDerWaalsContact O-CB 3.27Å; D84-F87 WeakPolarHBondContact O-CB 3.23Å; D84-F87 PolarHBondContact O-N 3.07Å; P85-F87 PolarHBondContact O-N 2.82Å; F87-Y90 AromaticContact CD2-CD1 3.86Å; F87-Y90 HydrophobicContact CD2-CD1 3.86Å; F87-Y90 AromaticContact CE2-CD1 3.89Å; F87-Y90 HydrophobicContact CE2-CD1 3.89Å; F87-Y90 HydrophobicContact CE2-CE1 4.22Å; F87-Y90 WeakPolarHBondContact O-CB 3.32Å; F87-Y90 PolarHBondContact O-N 3.34Å; F87-L91 HydrophobicContact CD1-CD1 4.24Å; F87-L91 HydrophobicContact CD1-CG 4.46Å; F87-L91 HydrophobicContact CE1-CD1 3.65Å; F87-L91 HydrophobicContact CE1-CD2 4.37Å; F87-L91 HydrophobicContact CE1-CG 4Å; F87-L91 HydrophobicContact CE2-CD2 4.15Å; F87-L91 HydrophobicContact CE2-CG 4.24Å; F87-L91 HydrophobicContact CZ-CD1 3.94Å; F87-L91 HydrophobicContact CZ-CD2 3.79Å; F87-L91 HydrophobicContact CZ-CG 3.87Å; F87-L91 WeakPolarHBondContact O-CG 3.25Å; F87-L91 PolarHBondContact O-N 3.49Å
88	F	98.2	Very high	97.2	Very high	9 Å²	9	54.1 Å²	54.1	4%	0.039	32%	0.321	C	S	.	.	H	α-helix	trans	-70.6	-37.1	178.1	-61.7	-70.4	0	0	0	111.8	I72 L75 R76 M79 V83 P85 D86 Y90 L91 L92	I72-F88 HydrophobicContact CD1-CB 4.48Å; I72-F88 HydrophobicContact CG2-CB 3.73Å; I72-F88 HydrophobicContact CG2-CD1 4.17Å; I72-F88 HydrophobicContact CG2-CG 4.21Å; L75-F88 HydrophobicContact CB-CD1 4.32Å; L75-F88 HydrophobicContact CB-CE1 3.98Å; R76-F88 HydrophobicContact CB-CE1 4.42Å; R76-F88 HydrophobicContact CB-CZ 4.3Å; R76-F88 HydrophobicContact CG-CD1 3.83Å; R76-F88 HydrophobicContact CG-CD2 3.77Å; R76-F88 HydrophobicContact CG-CE1 3.77Å; R76-F88 HydrophobicContact CG-CE2 3.73Å; R76-F88 HydrophobicContact CG-CG 3.83Å; R76-F88 HydrophobicContact CG-CZ 3.73Å; M79-F88 HydrophobicContact SD-CE1 4.07Å; M79-F88 HydrophobicContact SD-CZ 4.44Å; V83-F88 HydrophobicContact CB-CE2 4.5Å; V83-F88 HydrophobicContact CB-CZ 4.34Å; V83-F88 HydrophobicContact CG1-CE2 3.87Å; V83-F88 HydrophobicContact CG1-CZ 3.77Å; P85-F88 WeakPolarHBondContact O-CB 3.47Å; P85-F88 WeakPolarHBondContact O-CD2 3.47Å; P85-F88 PolarHBondContact O-N 3.18Å; P85-F88 VanDerWaalsContact O-N 3.14Å; D86-F88 VanDerWaalsContact C-N 3.27Å; D86-F88 PolarHBondContact O-N 2.99Å; F88-Y90 VanDerWaalsContact C-N 3.31Å; F88-L91 PolarHBondContact O-N 3.36Å; F88-L92 PolarHBondContact O-N 2.82Å; F88-L92 VanDerWaalsContact O-N 3.09Å
89	D	97.7	Very high	97.2	Very high	89 Å²	89	51.4 Å²	51.4	48%	0.476	30%	0.304	S	S	.	.	H	α-helix	trans	-67.6	-37.1	173.9	-62.3	-21.3	0	0	0	110.5	R76 D86 L92 S93	R76-D89 IonicContact NH2-OD1 3.97Å; D86-D89 PolarHBondContact O-N 3.44Å; D89-L92 PolarHBondContact O-N 3.14Å; D89-S93 PolarHBondContact O-N 3.26Å; D89-S93 VanDerWaalsContact O-N 3.17Å
90	Y	97.9	Very high	97.3	Very high	40 Å²	40	51.9 Å²	51.9	16%	0.157	31%	0.309	C	S	.	.	H	α-helix	trans	-58.8	-49.4	169.8	168.5	-106.5	0	0	0	111.7	W25 D86 F87 F88 L92 S93 I94 V124	W25-Y90 AromaticContact CD1-CD1 3.4Å; W25-Y90 VanDerWaalsContact CD1-CD1 3.4Å; W25-Y90 AromaticContact CD1-CD2 3.92Å; W25-Y90 AromaticContact CD1-CE1 3.67Å; W25-Y90 AromaticContact CD1-CG 3.52Å; W25-Y90 HydrophobicContact CG-CD1 4.14Å; W25-Y90 HydrophobicContact CG-CE1 4.38Å; W25-Y90 AromaticContact NE1-CD1 3.86Å; W25-Y90 AromaticContact NE1-CD2 3.93Å; W25-Y90 AromaticContact NE1-CG 3.52Å; D86-Y90 PolarHBondContact O-N 3.05Å; F87-Y90 AromaticContact CD2-CD1 3.86Å; F87-Y90 HydrophobicContact CD2-CD1 3.86Å; F87-Y90 AromaticContact CE2-CD1 3.89Å; F87-Y90 HydrophobicContact CE2-CD1 3.89Å; F87-Y90 HydrophobicContact CE2-CE1 4.22Å; F87-Y90 WeakPolarHBondContact O-CB 3.32Å; F87-Y90 PolarHBondContact O-N 3.34Å; F88-Y90 VanDerWaalsContact C-N 3.31Å; Y90-L92 VanDerWaalsContact C-N 3.31Å; Y90-L92 PolarHBondContact O-N 2.81Å; Y90-S93 WeakPolarHBondContact O-CA 3.42Å; Y90-S93 WeakPolarHBondContact O-CB 3.42Å; Y90-S93 PolarHBondContact O-N 2.83Å; Y90-S93 PolarHBondContact O-OG 2.87Å; Y90-I94 HydrophobicContact CD1-CD1 4.17Å; Y90-I94 HydrophobicContact CE1-CD1 3.56Å; Y90-I94 HydrophobicContact CE1-CG1 4.15Å; Y90-I94 HydrophobicContact CE2-CD1 4.4Å; Y90-I94 HydrophobicContact CE2-CG1 4.13Å; Y90-I94 WeakPolarHBondContact O-CG1 3.27Å; Y90-I94 PolarHBondContact O-N 2.86Å; Y90-V124 HydrophobicContact CE1-CG1 3.96Å
91	L	98	Very high	97.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-57.1	-41.2	177.1	-71.5	-179.7	0	0	0	112.7	F67 I72 L75 F87 F88 S93 I94 L128	F67-L91 HydrophobicContact CD2-CB 4.2Å; F67-L91 VanDerWaalsContact CD2-O 3.29Å; F67-L91 WeakPolarHBondContact CD2-O 3.42Å; F67-L91 HydrophobicContact CE2-CB 4.48Å; F67-L91 HydrophobicContact CE2-CD2 4.06Å; F67-L91 HydrophobicContact CG-CB 4.38Å; F67-L91 HydrophobicContact CZ-CD2 4.29Å; I72-L91 HydrophobicContact CD1-CB 3.72Å; I72-L91 HydrophobicContact CD1-CD1 4.18Å; L75-L91 HydrophobicContact CD1-CD1 3.81Å; F87-L91 HydrophobicContact CD1-CD1 4.24Å; F87-L91 HydrophobicContact CD1-CG 4.46Å; F87-L91 HydrophobicContact CE1-CD1 3.65Å; F87-L91 HydrophobicContact CE1-CD2 4.37Å; F87-L91 HydrophobicContact CE1-CG 4Å; F87-L91 HydrophobicContact CE2-CD2 4.15Å; F87-L91 HydrophobicContact CE2-CG 4.24Å; F87-L91 HydrophobicContact CZ-CD1 3.94Å; F87-L91 HydrophobicContact CZ-CD2 3.79Å; F87-L91 HydrophobicContact CZ-CG 3.87Å; F87-L91 WeakPolarHBondContact O-CG 3.25Å; F87-L91 PolarHBondContact O-N 3.49Å; F88-L91 PolarHBondContact O-N 3.36Å; L91-S93 PolarHBondContact O-N 3.39Å; L91-I94 HydrophobicContact CD2-CD1 3.92Å; L91-I94 PolarHBondContact O-N 3.5Å; L91-L128 HydrophobicContact CD2-CD1 4.32Å
92	L	97.3	Very high	97.5	Very high	51 Å²	51	45.2 Å²	45.2	27%	0.267	26%	0.255	S	S	.	.	H	α-helix	trans	-62	-28.4	174.8	-76	169.9	0	0	0	113.5	F67 I72 F88 D89 Y90	F67-L92 HydrophobicContact CB-CD2 4.46Å; I72-L92 HydrophobicContact CD1-CD2 4.37Å; I72-L92 HydrophobicContact CD1-CG 4.07Å; I72-L92 HydrophobicContact CG1-CD1 4.07Å; I72-L92 HydrophobicContact CG1-CD2 3.56Å; I72-L92 HydrophobicContact CG1-CG 3.57Å; F88-L92 PolarHBondContact O-N 2.82Å; F88-L92 VanDerWaalsContact O-N 3.09Å; D89-L92 PolarHBondContact O-N 3.14Å; Y90-L92 VanDerWaalsContact C-N 3.31Å; Y90-L92 PolarHBondContact O-N 2.81Å
93	S	96.5	Very high	97.6	Very high	81 Å²	81	39.7 Å²	39.7	57%	0.566	22%	0.221	S	C	*	.	H	α-helix	trans	-84.2	-16.6	-179.2	79.3	0	0	0	0	113.9	D89 Y90 L91 D95	D89-S93 PolarHBondContact O-N 3.26Å; D89-S93 VanDerWaalsContact O-N 3.17Å; Y90-S93 WeakPolarHBondContact O-CA 3.42Å; Y90-S93 WeakPolarHBondContact O-CB 3.42Å; Y90-S93 PolarHBondContact O-N 2.83Å; Y90-S93 PolarHBondContact O-OG 2.87Å; L91-S93 PolarHBondContact O-N 3.39Å; S93-D95 PolarHBondContact O-N 3.26Å
94	I	95.7	Very high	97.6	Very high	15 Å²	15	39.2 Å²	39.2	8%	0.077	22%	0.218	C	C	.	.			trans	-67.5	131.2	-177.7	-65.8	176.7	0	0	0	110.5	F65 Y90 L91 V124 L125 L128	F65-I94 HydrophobicContact CE1-CG2 3.9Å; Y90-I94 HydrophobicContact CD1-CD1 4.17Å; Y90-I94 HydrophobicContact CE1-CD1 3.56Å; Y90-I94 HydrophobicContact CE1-CG1 4.15Å; Y90-I94 HydrophobicContact CE2-CD1 4.4Å; Y90-I94 HydrophobicContact CE2-CG1 4.13Å; Y90-I94 WeakPolarHBondContact O-CG1 3.27Å; Y90-I94 PolarHBondContact O-N 2.86Å; L91-I94 HydrophobicContact CD2-CD1 3.92Å; L91-I94 PolarHBondContact O-N 3.5Å; I94-V124 HydrophobicContact CD1-CG1 3.97Å; I94-L125 HydrophobicContact CG2-CD1 3.76Å; I94-L128 HydrophobicContact CD1-CD1 3.77Å
95	D	95.6	Very high	97.6	Very high	61 Å²	61	40 Å²	40	33%	0.326	22%	0.22	S	C	.	.			trans	-132.4	175.5	169.4	72.7	28.4	0	0	0	111.5	S93 K97 L125	S93-D95 PolarHBondContact O-N 3.26Å; D95-K97 VanDerWaalsContact C-N 3.33Å; D95-K97 PolarHBondContact O-N 2.74Å; D95-K97 WeakPolarHBondContact OD1-CB 3.41Å; D95-K97 VanDerWaalsContact OD1-CG 3.31Å; D95-K97 WeakPolarHBondContact OD1-CG 3.48Å; D95-K97 PolarHBondContact OD1-N 3.48Å; D95-K97 WeakPolarHBondContact OD2-CD 3.47Å; D95-K97 WeakPolarHBondContact OD2-CE 3.48Å; D95-K97 IonicContact OD2-NZ 3.97Å; D95-K97 PolarHBondContact OD2-NZ 3.31Å; D95-L125 WeakPolarHBondContact O-CD2 3.32Å
96	T	97.6	Very high	97.7	Very high	12 Å²	12	37 Å²	37	7%	0.074	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-90.6	14.9	-177.4	58.3	0	0	0	0	114.1	L62 F65 L99 W494 G497	L62-T96 HydrophobicContact CD2-CG2 4.19Å; L62-T96 WeakPolarHBondContact O-CG2 3.49Å; L62-T96 PolarHBondContact O-OG1 3.29Å; L62-T96 VanDerWaalsContact O-OG1 3.04Å; F65-T96 HydrophobicContact CB-CG2 3.59Å; F65-T96 HydrophobicContact CD1-CG2 3.84Å; F65-T96 HydrophobicContact CG-CG2 3.77Å; T96-L99 PolarHBondContact O-N 3.19Å; T96-W494 PolarHBondContact O-NE1 3.15Å; T96-W494 WeakPolarHBondContact OG1-CZ2 3.24Å; T96-G497 PolarHBondContact O-N 3.09Å
97	K	97.1	Very high	97.7	Very high	133 Å²	133	32.3 Å²	32.3	58%	0.578	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-68.6	-33.8	180	-66.6	180	-169.9	124	0	112.9	D95 L99 C496	D95-K97 VanDerWaalsContact C-N 3.33Å; D95-K97 PolarHBondContact O-N 2.74Å; D95-K97 WeakPolarHBondContact OD1-CB 3.41Å; D95-K97 VanDerWaalsContact OD1-CG 3.31Å; D95-K97 WeakPolarHBondContact OD1-CG 3.48Å; D95-K97 PolarHBondContact OD1-N 3.48Å; D95-K97 WeakPolarHBondContact OD2-CD 3.47Å; D95-K97 WeakPolarHBondContact OD2-CE 3.48Å; D95-K97 IonicContact OD2-NZ 3.97Å; D95-K97 PolarHBondContact OD2-NZ 3.31Å; K97-L99 VanDerWaalsContact C-N 3.27Å; K97-L99 PolarHBondContact O-N 2.94Å; K97-C496 VanDerWaalsContact O-CA 3.3Å; K97-C496 WeakPolarHBondContact O-CA 3.32Å
98	G	96.8	Very high	97.7	Very high	44 Å²	44	32.5 Å²	32.5	45%	0.454	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-78.6	-6.1	177.5	0	0	0	0	0	114.6	G121 P122	G98-G121 WeakPolarHBondContact O-CA 3.16Å; G98-P122 WeakPolarHBondContact O-CD 3.48Å
99	L	98.3	Very high	97.7	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.174	C	C	.	.			trans	-101.9	137	-173.4	-172.8	138.9	0	0	0	112.2	L62 T96 K97 L101 V119 E120 L125 V129	L62-L99 HydrophobicContact CD1-CD2 3.9Å; L62-L99 HydrophobicContact CD2-CD2 4Å; T96-L99 PolarHBondContact O-N 3.19Å; K97-L99 VanDerWaalsContact C-N 3.27Å; K97-L99 PolarHBondContact O-N 2.94Å; L99-L101 HydrophobicContact CD2-CB 4.46Å; L99-V119 HydrophobicContact CD1-CG1 3.59Å; L99-V119 HydrophobicContact CD2-CG1 4.3Å; L99-V119 HydrophobicContact CG-CG1 3.98Å; L99-E120 CarbonylContact C-O 3.57Å; L99-E120 WeakPolarHBondContact CA-O 3.46Å; L99-L125 HydrophobicContact CB-CD2 3.65Å; L99-L125 HydrophobicContact CB-CG 4.17Å; L99-L125 HydrophobicContact CD1-CD1 4.48Å; L99-L125 HydrophobicContact CD1-CD2 4.23Å; L99-L125 HydrophobicContact CD1-CG 3.79Å; L99-V129 HydrophobicContact CD1-CG1 4.47Å; L99-V129 HydrophobicContact CD1-CG2 4.18Å
100	S	98.6	Very high	97.8	Very high	20 Å²	20	28 Å²	28	14%	0.14	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127.6	170.9	-84.3	0	0	0	0	110.2	E120 W494 N495	S100-E120 PolarHBondContact N-O 3.34Å; S100-E120 PolarHBondContact O-N 3.4Å; S100-W494 CarbonylContact C-O 3.59Å; S100-W494 VanDerWaalsContact CA-O 3.28Å; S100-W494 WeakPolarHBondContact CA-O 3.5Å; S100-N495 PolarHBondContact OG-OD1 3.31Å
101	L	98.7	Very high	97.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	117.2	173	-174.7	68.5	0	0	0	110.1	L55 I59 L62 L99 M117 V119 Y493 W494	L55-L101 HydrophobicContact CD1-CD2 4.45Å; I59-L101 HydrophobicContact CD1-CD2 4.06Å; L62-L101 HydrophobicContact CD1-CB 4.1Å; L62-L101 HydrophobicContact CD1-CD2 3.82Å; L62-L101 HydrophobicContact CD1-CG 4.5Å; L99-L101 HydrophobicContact CD2-CB 4.46Å; L101-M117 HydrophobicContact CD1-CB 4.38Å; L101-M117 HydrophobicContact CD1-SD 4.07Å; L101-M117 HydrophobicContact CD2-CE 4.47Å; L101-V119 HydrophobicContact CD1-CG2 3.78Å; L101-Y493 PolarHBondContact O-N 2.81Å; L101-W494 HydrophobicContact CB-CB 3.58Å; L101-W494 PolarHBondContact N-O 3.45Å; L101-W494 PolarHBondContact O-N 3.34Å
102	W	98.6	Very high	97.7	Very high	59 Å²	59	27.2 Å²	27.2	22%	0.223	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	139	166.6	-58.5	75.4	0	0	0	109.3	M117 R118 E120 L490 K491 L492	W102-M117 CarbonylContact O-C 3.56Å; W102-M117 WeakPolarHBondContact O-CA 3.28Å; W102-R118 HydrophobicContact CB-CB 4.18Å; W102-R118 VanDerWaalsContact CE2-NH2 3.27Å; W102-R118 PolarHBondContact N-O 3.46Å; W102-R118 PolarHBondContact O-N 3.15Å; W102-E120 PolarHBondContact NE1-OE1 3.24Å; W102-L490 HydrophobicContact CB-CB 4.49Å; W102-K491 CarbonylContact C-O 3.55Å; W102-K491 VanDerWaalsContact CA-O 3.3Å; W102-K491 WeakPolarHBondContact CA-O 3.35Å; W102-L492 HydrophobicContact CD2-CB 4.05Å; W102-L492 HydrophobicContact CD2-CD1 4.01Å; W102-L492 HydrophobicContact CE3-CB 3.96Å; W102-L492 VanDerWaalsContact CE3-N 3.3Å; W102-L492 HydrophobicContact CG-CD1 4.22Å; W102-L492 HydrophobicContact CH2-CB 4.02Å; W102-L492 HydrophobicContact CZ2-CB 4.13Å; W102-L492 HydrophobicContact CZ2-CD1 3.99Å; W102-L492 HydrophobicContact CZ2-CD2 4.49Å; W102-L492 HydrophobicContact CZ2-CG 4.44Å; W102-L492 HydrophobicContact CZ3-CB 3.95Å
103	S	98.6	Very high	97.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	158.4	178.5	-173.1	0	0	0	0	111.2	F52 I116 M117 L490 K491 Y493	F52-S103 WeakPolarHBondContact CZ-OG 3.13Å; S103-I116 WeakPolarHBondContact CA-O 3.19Å; S103-I116 PolarHBondContact OG-O 3.29Å; S103-M117 WeakPolarHBondContact OG-CG 3.33Å; S103-L490 WeakPolarHBondContact O-CA 3.36Å; S103-K491 PolarHBondContact N-O 3.08Å; S103-K491 PolarHBondContact O-N 2.83Å; S103-Y493 WeakPolarHBondContact O-CE2 3.42Å
104	V	98.4	Very high	97.6	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.012	12%	0.123	C	C	.	.			trans	-63.8	164.2	160.7	-57.1	0	0	0	0	110	F52 V110 I116 L489 L490	F52-V104 HydrophobicContact CB-CG2 3.86Å; F52-V104 HydrophobicContact CD1-CG2 3.31Å; F52-V104 HydrophobicContact CD2-CG2 3.94Å; F52-V104 HydrophobicContact CE1-CG2 3.69Å; F52-V104 HydrophobicContact CE2-CG2 4.29Å; F52-V104 HydrophobicContact CG-CG2 3.41Å; F52-V104 VanDerWaalsContact CG-CG2 3.41Å; F52-V104 HydrophobicContact CZ-CG2 4.16Å; V104-V110 HydrophobicContact CB-CG1 4.45Å; V104-V110 HydrophobicContact CG1-CG1 4.25Å; V104-V110 HydrophobicContact CG2-CG1 3.82Å; V104-I116 PolarHBondContact N-O 3.21Å; V104-L489 WeakPolarHBondContact CA-O 3.41Å; V104-L489 HydrophobicContact CG1-CB 3.99Å; V104-L490 HydrophobicContact CG1-CD2 4Å
105	K	98	Very high	97.7	Very high	53 Å²	53	22.8 Å²	22.8	23%	0.23	12%	0.12	C	C	.	.			trans	-69.2	142.4	174.3	-173.2	-178.7	172.7	-168.1	0	109.6	C107 S108 Y493 Y512	K105-C107 PolarHBondContact O-N 2.85Å; K105-S108 PolarHBondContact N-OG 3.2Å; K105-S108 WeakPolarHBondContact O-CB 3.28Å; K105-S108 PolarHBondContact O-N 3.44Å; K105-S108 PolarHBondContact O-OG 3.17Å; K105-Y493 WeakPolarHBondContact CA-OH 3.43Å; K105-Y512 HydrophobicContact CB-CE1 4.04Å; K105-Y512 HydrophobicContact CD-CD1 4.1Å; K105-Y512 HydrophobicContact CD-CD2 4.27Å; K105-Y512 HydrophobicContact CD-CE1 3.81Å; K105-Y512 HydrophobicContact CD-CE2 3.99Å; K105-Y512 HydrophobicContact CD-CG 4.31Å; K105-Y512 HydrophobicContact CG-CD1 4.46Å; K105-Y512 HydrophobicContact CG-CE1 4.05Å
106	E	98.1	Very high	97.9	Very high	10 Å²	10	19.9 Å²	19.9	5%	0.047	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.1	137.9	169.1	-162.5	77.1	-64.3	0	0	110.5	A53 G54 L55 Q56 S108 P504 Y512	A53-E106 VanDerWaalsContact C-OE1 3.27Å; A53-E106 WeakPolarHBondContact CA-OE1 3.48Å; G54-E106 PolarHBondContact N-OE1 3.5Å; G54-E106 PolarHBondContact N-OE2 3.5Å; L55-E106 HydrophobicContact CB-CB 4.45Å; L55-E106 WeakPolarHBondContact CB-OE1 3.48Å; L55-E106 PolarHBondContact N-OE1 3.29Å; L55-E106 PolarHBondContact N-OE2 3.28Å; Q56-E106 PolarHBondContact N-OE2 2.96Å; E106-S108 PolarHBondContact O-N 3.33Å; E106-P504 HydrophobicContact CB-CG 4.37Å; E106-Y512 VanDerWaalsContact O-CD1 3.23Å; E106-Y512 WeakPolarHBondContact O-CD1 3.32Å; E106-Y512 WeakPolarHBondContact O-CE1 3.21Å
107	C	98.5	Very high	97.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	19.9	-175.6	-65.4	0	0	0	0	115.9	I51 F52 K105 S509 Y512 A513	I51-C107 HydrophobicContact CG2-CB 4.29Å; F52-C107 WeakPolarHBondContact O-CA 3.29Å; F52-C107 PolarHBondContact O-N 3.32Å; K105-C107 PolarHBondContact O-N 2.85Å; C107-S509 WeakPolarHBondContact CB-O 3.36Å; C107-S509 PolarHBondContact SG-O 2.85Å; C107-Y512 HydrophobicContact CB-CD1 4.23Å; C107-A513 HydrophobicContact CB-CB 3.68Å; C107-A513 WeakPolarHBondContact O-CA 3.29Å
108	S	98.5	Very high	98	Very high	3 Å²	3	13.3 Å²	13.3	2%	0.021	8%	0.075	C	C	.	.			trans	-70.2	141.6	168.4	-60.3	0	0	0	0	110.9	F52 K105 E106 V110 Y512	F52-S108 WeakPolarHBondContact CB-O 3.36Å; F52-S108 PolarHBondContact N-O 3.14Å; K105-S108 PolarHBondContact N-OG 3.2Å; K105-S108 WeakPolarHBondContact O-CB 3.28Å; K105-S108 PolarHBondContact O-N 3.44Å; K105-S108 PolarHBondContact O-OG 3.17Å; E106-S108 PolarHBondContact O-N 3.33Å; S108-V110 PolarHBondContact O-N 2.91Å; S108-Y512 WeakPolarHBondContact OG-CE1 3.47Å; S108-Y512 PolarHBondContact OG-OH 3.02Å
109	V	98.4	Very high	98.1	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	128	163.4	174.8	0	0	0	0	108.3	F49 T50 I51 F111 R440 E516 L520	F49-V109 HydrophobicContact CB-CG1 4.1Å; T50-V109 CarbonylContact O-C 3.48Å; T50-V109 WeakPolarHBondContact O-CA 3.38Å; I51-V109 HydrophobicContact CD1-CG2 3.64Å; V109-F111 HydrophobicContact CG1-CE1 4Å; V109-F111 HydrophobicContact CG1-CE2 3.84Å; V109-F111 HydrophobicContact CG1-CZ 3.46Å; V109-F111 VanDerWaalsContact CG1-CZ 3.46Å; V109-R440 VanDerWaalsContact O-CZ 3.28Å; V109-R440 PolarHBondContact O-NH1 2.66Å; V109-R440 PolarHBondContact O-NH2 2.91Å; V109-E516 HydrophobicContact CB-CB 4.4Å; V109-E516 HydrophobicContact CG2-CB 3.78Å; V109-L520 HydrophobicContact CG1-CD1 3.87Å; V109-L520 HydrophobicContact CG1-CD2 4.22Å; V109-L520 HydrophobicContact CG1-CG 4.43Å; V109-L520 HydrophobicContact CG2-CD1 4.25Å
110	V	98.5	Very high	98.1	Very high	4 Å²	4	12.6 Å²	12.6	2%	0.024	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	160.3	179.6	-67.1	0	0	0	0	111.2	F40 T50 F52 V104 S108 I116	F40-V110 HydrophobicContact CE1-CB 4.25Å; F40-V110 HydrophobicContact CE1-CG2 3.66Å; F40-V110 HydrophobicContact CZ-CG2 4.03Å; T50-V110 HydrophobicContact CG2-CG2 4.05Å; T50-V110 PolarHBondContact N-O 2.87Å; T50-V110 WeakPolarHBondContact O-CG2 3.33Å; T50-V110 PolarHBondContact O-N 3.04Å; F52-V110 HydrophobicContact CB-CG1 3.79Å; F52-V110 HydrophobicContact CB-CG2 3.85Å; V104-V110 HydrophobicContact CB-CG1 4.45Å; V104-V110 HydrophobicContact CG1-CG1 4.25Å; V104-V110 HydrophobicContact CG2-CG1 3.82Å; S108-V110 PolarHBondContact O-N 2.91Å; V110-I116 HydrophobicContact CB-CG2 3.67Å; V110-I116 HydrophobicContact CG1-CG2 3.68Å; V110-I116 HydrophobicContact CG2-CG2 4.01Å
111	F	97.9	Very high	98.1	Very high	1 Å²	1	12 Å²	12	0%	0.004	6%	0.057	C	C	.	.			trans	-133.5	159.5	-172.1	-61.1	-73.1	0	0	0	112.6	E48 F49 V109 V114 D451 L520 Y533 V535	E48-F111 VanDerWaalsContact O-CE1 3.26Å; E48-F111 WeakPolarHBondContact O-CE1 3.38Å; F49-F111 HydrophobicContact CB-CE1 4.23Å; V109-F111 HydrophobicContact CG1-CE1 4Å; V109-F111 HydrophobicContact CG1-CE2 3.84Å; V109-F111 HydrophobicContact CG1-CZ 3.46Å; V109-F111 VanDerWaalsContact CG1-CZ 3.46Å; F111-V114 WeakPolarHBondContact O-CB 3.44Å; F111-V114 PolarHBondContact O-N 3.43Å; F111-D451 WeakPolarHBondContact CD2-OD2 3.44Å; F111-L520 HydrophobicContact CZ-CD2 3.9Å; F111-Y533 HydrophobicContact CB-CD1 4.25Å; F111-Y533 AromaticContact CD1-CD1 3.66Å; F111-Y533 HydrophobicContact CD1-CD1 3.66Å; F111-Y533 AromaticContact CD1-CG 3.68Å; F111-Y533 HydrophobicContact CD1-CG 3.68Å; F111-Y533 AromaticContact CD2-CD1 3.27Å; F111-Y533 HydrophobicContact CD2-CD1 3.27Å; F111-Y533 AromaticContact CD2-CE1 3.36Å; F111-Y533 HydrophobicContact CD2-CE1 3.36Å; F111-Y533 AromaticContact CD2-CG 3.99Å; F111-Y533 HydrophobicContact CD2-CG 3.99Å; F111-Y533 AromaticContact CE1-CD1 3.7Å; F111-Y533 HydrophobicContact CE1-CD1 3.7Å; F111-Y533 AromaticContact CE1-CD2 3.85Å; F111-Y533 HydrophobicContact CE1-CD2 3.85Å; F111-Y533 HydrophobicContact CE1-CE1 4.41Å; F111-Y533 AromaticContact CE1-CG 3.35Å; F111-Y533 HydrophobicContact CE1-CG 3.35Å; F111-Y533 AromaticContact CE2-CD1 3.3Å; F111-Y533 HydrophobicContact CE2-CD1 3.3Å; F111-Y533 AromaticContact CE2-CD2 3.98Å; F111-Y533 HydrophobicContact CE2-CD2 3.98Å; F111-Y533 AromaticContact CE2-CE1 3.19Å; F111-Y533 HydrophobicContact CE2-CE1 3.19Å; F111-Y533 AromaticContact CE2-CE2 3.9Å; F111-Y533 HydrophobicContact CE2-CE2 3.9Å; F111-Y533 AromaticContact CE2-CG 3.68Å; F111-Y533 HydrophobicContact CE2-CG 3.68Å; F111-Y533 AromaticContact CE2-CZ 3.51Å; F111-Y533 AromaticContact CG-CD1 3.44Å; F111-Y533 HydrophobicContact CG-CD1 3.44Å; F111-Y533 VanDerWaalsContact CG-CD1 3.44Å; F111-Y533 HydrophobicContact CG-CE1 4.04Å; F111-Y533 AromaticContact CG-CG 3.98Å; F111-Y533 HydrophobicContact CG-CG 3.98Å; F111-Y533 AromaticContact CZ-CD1 3.51Å; F111-Y533 HydrophobicContact CZ-CD1 3.51Å; F111-Y533 AromaticContact CZ-CD2 3.49Å; F111-Y533 HydrophobicContact CZ-CD2 3.49Å; F111-Y533 VanDerWaalsContact CZ-CD2 3.49Å; F111-Y533 AromaticContact CZ-CE1 3.78Å; F111-Y533 HydrophobicContact CZ-CE1 3.78Å; F111-Y533 AromaticContact CZ-CE2 3.77Å; F111-Y533 HydrophobicContact CZ-CE2 3.77Å; F111-Y533 AromaticContact CZ-CG 3.34Å; F111-Y533 HydrophobicContact CZ-CG 3.34Å; F111-Y533 AromaticContact CZ-CZ 3.89Å; F111-V535 HydrophobicContact CB-CG2 3.88Å
112	P	96.1	Very high	98	Very high	22 Å²	22	13.4 Å²	13.4	14%	0.143	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	147.2	-177.7	-27.2	35.5	0	0	0	114.1	F40 R41 N43 V114	F40-P112 HydrophobicContact CD2-CB 4.41Å; F40-P112 HydrophobicContact CD2-CG 4.25Å; F40-P112 HydrophobicContact CE2-CB 4.24Å; F40-P112 HydrophobicContact CE2-CG 3.74Å; F40-P112 CarbonylContact O-C 3.46Å; F40-P112 VanDerWaalsContact O-CA 3.31Å; F40-P112 WeakPolarHBondContact O-CA 3.33Å; R41-P112 WeakPolarHBondContact O-CB 3.45Å; N43-P112 WeakPolarHBondContact ND2-CD 3.34Å; P112-V114 PolarHBondContact O-N 3.14Å
113	K	94.9	Very high	98	Very high	49 Å²	49	10.7 Å²	10.7	21%	0.213	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	11.3	175.7	-52.6	179.6	-177.2	175.4	0	114.3	F40 E428	F40-K113 PolarHBondContact O-N 3.18Å; K113-E428 WeakPolarHBondContact CE-OE2 3.31Å; K113-E428 IonicContact NZ-OE1 3.37Å; K113-E428 PolarHBondContact NZ-OE1 3.39Å; K113-E428 IonicContact NZ-OE2 3.11Å; K113-E428 PolarHBondContact NZ-OE2 3.44Å
114	V	97.3	Very high	98	Very high	3 Å²	3	10.7 Å²	10.7	2%	0.018	6%	0.056	C	C	.	.	S	Bend	trans	-100.4	129.2	171.4	-179.7	0	0	0	0	108.5	F39 F111 P112 I116 V438 D451 M453 V535	F39-V114 VanDerWaalsContact CB-O 3.26Å; F39-V114 WeakPolarHBondContact CB-O 3.39Å; F111-V114 WeakPolarHBondContact O-CB 3.44Å; F111-V114 PolarHBondContact O-N 3.43Å; P112-V114 PolarHBondContact O-N 3.14Å; V114-I116 PolarHBondContact O-N 3.06Å; V114-V438 HydrophobicContact CG1-CB 4.27Å; V114-V438 HydrophobicContact CG1-CG1 3.42Å; V114-V438 VanDerWaalsContact CG1-CG1 3.42Å; V114-V438 HydrophobicContact CG1-CG2 3.91Å; V114-D451 HydrophobicContact CG2-CB 4.24Å; V114-M453 HydrophobicContact CG2-SD 4.48Å; V114-V535 HydrophobicContact CG2-CB 4.24Å; V114-V535 HydrophobicContact CG2-CG1 3.45Å; V114-V535 VanDerWaalsContact CG2-CG1 3.45Å; V114-V535 HydrophobicContact CG2-CG2 3.72Å
115	P	97.9	Very high	98	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.013	6%	0.057	C	C	.	.			trans	-57.4	121.3	173.6	-26.6	36	0	0	0	111.6	E37 I38 V438 M453 L490	E37-P115 HydrophobicContact CB-CB 4.3Å; E37-P115 HydrophobicContact CB-CG 4.42Å; E37-P115 HydrophobicContact CG-CB 4.2Å; E37-P115 HydrophobicContact CG-CG 4.26Å; E37-P115 VanDerWaalsContact OE2-CG 3.25Å; E37-P115 WeakPolarHBondContact OE2-CG 3.47Å; I38-P115 WeakPolarHBondContact O-CA 3.22Å; P115-V438 HydrophobicContact CB-CG2 4.47Å; P115-V438 HydrophobicContact CG-CG2 4.45Å; P115-M453 VanDerWaalsContact CD-SD 3.59Å; P115-L490 HydrophobicContact CB-CD1 4.25Å
116	I	98.4	Very high	98	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.005	5%	0.046	C	C	.	.	S	Bend	trans	-98.5	-25.9	175.4	60.2	172.1	0	0	0	111.9	I38 F40 F52 S103 V104 V110 V114 I137	I38-I116 HydrophobicContact CB-CG1 4.4Å; I38-I116 HydrophobicContact CG2-CD1 4.38Å; I38-I116 HydrophobicContact CG2-CG1 4.28Å; I38-I116 VanDerWaalsContact O-CG1 3.23Å; I38-I116 WeakPolarHBondContact O-CG1 3.19Å; I38-I116 PolarHBondContact O-N 2.95Å; F40-I116 HydrophobicContact CD1-CD1 4.34Å; F40-I116 HydrophobicContact CE1-CG2 4.23Å; F52-I116 HydrophobicContact CD2-CB 4.23Å; F52-I116 HydrophobicContact CD2-CD1 4.02Å; F52-I116 HydrophobicContact CE2-CD1 4.32Å; S103-I116 WeakPolarHBondContact CA-O 3.19Å; S103-I116 PolarHBondContact OG-O 3.29Å; V104-I116 PolarHBondContact N-O 3.21Å; V110-I116 HydrophobicContact CB-CG2 3.67Å; V110-I116 HydrophobicContact CG1-CG2 3.68Å; V110-I116 HydrophobicContact CG2-CG2 4.01Å; V114-I116 PolarHBondContact O-N 3.06Å; I116-I137 HydrophobicContact CD1-CG2 3.82Å
117	M	98.6	Very high	98	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	157.1	165.3	-66.6	-171.5	164.7	0	0	110.4	E37 I38 F52 L55 C58 L101 W102 S103 I137	E37-M117 WeakPolarHBondContact CA-O 3.23Å; I38-M117 HydrophobicContact CB-CB 4.01Å; I38-M117 HydrophobicContact CD1-CB 4.02Å; I38-M117 HydrophobicContact CD1-SD 4.12Å; I38-M117 HydrophobicContact CG1-CB 4.04Å; I38-M117 PolarHBondContact N-O 3.37Å; I38-M117 PolarHBondContact O-N 3.13Å; F52-M117 HydrophobicContact CE2-CE 4.01Å; F52-M117 HydrophobicContact CE2-CG 4.3Å; F52-M117 HydrophobicContact CZ-CE 3.58Å; F52-M117 HydrophobicContact CZ-CG 4.4Å; L55-M117 HydrophobicContact CD1-CE 3.84Å; C58-M117 HydrophobicContact CB-CE 4.19Å; L101-M117 HydrophobicContact CD1-CB 4.38Å; L101-M117 HydrophobicContact CD1-SD 4.07Å; L101-M117 HydrophobicContact CD2-CE 4.47Å; W102-M117 CarbonylContact O-C 3.56Å; W102-M117 WeakPolarHBondContact O-CA 3.28Å; S103-M117 WeakPolarHBondContact OG-CG 3.33Å; M117-I137 HydrophobicContact CE-CD1 3.51Å; M117-I137 HydrophobicContact CE-CG1 3.9Å; M117-I137 HydrophobicContact SD-CD1 4.31Å; M117-I137 HydrophobicContact SD-CG1 4.03Å
118	R	98.4	Very high	97.9	Very high	7 Å²	7	8.1 Å²	8.1	3%	0.026	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	124.8	172.2	-173.6	178.7	74.6	-155.8	-1	109.3	T35 F36 E37 W102 E120 K436 L490	T35-R118 HydrophobicContact CG2-CG 3.58Å; F36-R118 CarbonylContact O-C 3.44Å; F36-R118 VanDerWaalsContact O-CA 3.27Å; F36-R118 WeakPolarHBondContact O-CA 3.46Å; F36-R118 WeakPolarHBondContact O-CG 3.46Å; E37-R118 HydrophobicContact CG-CB 4.23Å; E37-R118 HydrophobicContact CG-CG 3.84Å; W102-R118 HydrophobicContact CB-CB 4.18Å; W102-R118 VanDerWaalsContact CE2-NH2 3.27Å; W102-R118 PolarHBondContact N-O 3.46Å; W102-R118 PolarHBondContact O-N 3.15Å; R118-E120 HydrophobicContact CG-CG 4.37Å; R118-E120 IonicContact CZ-OE1 2.83Å; R118-E120 IonicContact NE-OE1 3.04Å; R118-E120 PolarHBondContact NE-OE1 2.98Å; R118-E120 IonicContact NH2-OE1 2.64Å; R118-E120 PolarHBondContact NH2-OE1 2.98Å; R118-K436 PolarHBondContact NH1-O 3.09Å; R118-L490 HydrophobicContact CB-CD1 4.39Å
119	V	98.6	Very high	97.9	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	126.6	-177.7	-171.6	0	0	0	0	108.1	T35 F36 L99 L101 C126 V129 L133 Y410	T35-V119 CarbonylContact C-O 3.6Å; T35-V119 WeakPolarHBondContact CA-O 3.23Å; F36-V119 PolarHBondContact N-O 3.24Å; F36-V119 PolarHBondContact O-N 2.83Å; L99-V119 HydrophobicContact CD1-CG1 3.59Å; L99-V119 HydrophobicContact CD2-CG1 4.3Å; L99-V119 HydrophobicContact CG-CG1 3.98Å; L101-V119 HydrophobicContact CD1-CG2 3.78Å; V119-C126 HydrophobicContact CG1-CB 4.42Å; V119-V129 HydrophobicContact CG1-CG2 4.24Å; V119-L133 HydrophobicContact CG2-CD1 3.89Å; V119-Y410 HydrophobicContact CB-CE2 4.4Å; V119-Y410 WeakPolarHBondContact CB-OH 3.32Å; V119-Y410 WeakPolarHBondContact CG1-OH 3.43Å; V119-Y410 HydrophobicContact CG2-CE2 3.74Å; V119-Y410 WeakPolarHBondContact CG2-OH 3.49Å
120	E	98.5	Very high	97.9	Very high	28 Å²	28	9 Å²	9	13%	0.131	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	137.1	-176.8	-64.1	170.5	-146	0	0	109.6	A34 T35 L99 S100 W102 R118 K435	A34-E120 WeakPolarHBondContact O-CA 3.33Å; T35-E120 HydrophobicContact CG2-CG 3.92Å; L99-E120 CarbonylContact C-O 3.57Å; L99-E120 WeakPolarHBondContact CA-O 3.46Å; S100-E120 PolarHBondContact N-O 3.34Å; S100-E120 PolarHBondContact O-N 3.4Å; W102-E120 PolarHBondContact NE1-OE1 3.24Å; R118-E120 HydrophobicContact CG-CG 4.37Å; R118-E120 IonicContact CZ-OE1 2.83Å; R118-E120 IonicContact NE-OE1 3.04Å; R118-E120 PolarHBondContact NE-OE1 2.98Å; R118-E120 IonicContact NH2-OE1 2.64Å; R118-E120 PolarHBondContact NH2-OE1 2.98Å; E120-K435 WeakPolarHBondContact OE1-CE 3.44Å; E120-K435 IonicContact OE1-NZ 3.39Å; E120-K435 PolarHBondContact OE1-NZ 3.35Å; E120-K435 IonicContact OE2-NZ 3.1Å; E120-K435 PolarHBondContact OE2-NZ 3.01Å
121	G	98.4	Very high	97.9	Very high	8 Å²	8	9.7 Å²	9.7	8%	0.082	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.8	-167	179.5	0	0	0	0	0	113	A34 G98 V123 C126	A34-G121 PolarHBondContact N-O 2.86Å; A34-G121 PolarHBondContact O-N 3.33Å; A34-G121 VanDerWaalsContact O-N 3.1Å; G98-G121 WeakPolarHBondContact O-CA 3.16Å; G121-V123 PolarHBondContact O-N 3.39Å; G121-C126 PolarHBondContact N-SG 2.63Å; G121-C126 VanDerWaalsContact N-SG 3.43Å
122	P	98.3	Very high	97.8	Very high	29 Å²	29	9.6 Å²	9.6	19%	0.188	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	133.8	172.9	-26.8	35.7	0	0	0	111.8	D32 G98 V124 L125 C126	D32-P122 CarbonylContact O-C 3.53Å; D32-P122 WeakPolarHBondContact O-CA 3.3Å; G98-P122 WeakPolarHBondContact O-CD 3.48Å; P122-V124 VanDerWaalsContact C-N 3.27Å; P122-V124 PolarHBondContact O-N 3.32Å; P122-L125 HydrophobicContact CB-CB 4.28Å; P122-L125 PolarHBondContact O-N 3.46Å; P122-C126 PolarHBondContact O-N 3.41Å
123	V	98.4	Very high	97.9	Very high	2 Å²	2	8.6 Å²	8.6	1%	0.012	5%	0.046	C	C	.	.	H	α-helix	trans	-55.9	-39.6	-173	69.1	0	0	0	0	112.7	Y24 K29 D32 A34 F36 G121 C126 Q127 I415	Y24-V123 HydrophobicContact CD1-CG1 4.22Å; Y24-V123 HydrophobicContact CD2-CG1 4.42Å; Y24-V123 HydrophobicContact CD2-CG2 4.47Å; Y24-V123 HydrophobicContact CE1-CG2 4.34Å; Y24-V123 HydrophobicContact CE2-CG2 4.12Å; Y24-V123 HydrophobicContact CG-CG1 4.12Å; K29-V123 WeakPolarHBondContact O-CG1 3.28Å; D32-V123 HydrophobicContact CB-CG1 4.25Å; D32-V123 PolarHBondContact O-N 2.96Å; A34-V123 HydrophobicContact CB-CB 3.92Å; A34-V123 HydrophobicContact CB-CG2 3.97Å; F36-V123 HydrophobicContact CE2-CG2 4.49Å; G121-V123 PolarHBondContact O-N 3.39Å; V123-C126 PolarHBondContact O-N 3.1Å; V123-Q127 VanDerWaalsContact O-CB 3.27Å; V123-Q127 WeakPolarHBondContact O-CB 3.31Å; V123-Q127 PolarHBondContact O-N 2.95Å; V123-I415 HydrophobicContact CB-CD1 4.32Å; V123-I415 HydrophobicContact CG2-CD1 4.27Å
124	V	98.1	Very high	98.1	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-64.4	-45	177.8	167.1	0	0	0	0	111.2	A30 Y90 I94 P122 Q127 L128	A30-V124 HydrophobicContact CB-CG2 3.88Å; Y90-V124 HydrophobicContact CE1-CG1 3.96Å; I94-V124 HydrophobicContact CD1-CG1 3.97Å; P122-V124 VanDerWaalsContact C-N 3.27Å; P122-V124 PolarHBondContact O-N 3.32Å; V124-Q127 WeakPolarHBondContact O-CB 3.46Å; V124-Q127 PolarHBondContact O-N 3Å; V124-Q127 VanDerWaalsContact O-N 3.14Å; V124-L128 HydrophobicContact CG1-CD1 3.8Å; V124-L128 HydrophobicContact CG1-CG 4.29Å; V124-L128 VanDerWaalsContact O-CG 3.29Å; V124-L128 WeakPolarHBondContact O-CG 3.28Å; V124-L128 PolarHBondContact O-N 2.91Å
125	L	97.8	Very high	98	Very high	6 Å²	6	11.3 Å²	11.3	3%	0.031	6%	0.063	C	C	.	.	H	α-helix	trans	-66.4	-42.1	179.3	179.9	56.7	0	0	0	111.4	F65 I94 D95 L99 P122 Q127 L128 V129	F65-L125 HydrophobicContact CE1-CD1 4.11Å; F65-L125 HydrophobicContact CZ-CD1 4.2Å; I94-L125 HydrophobicContact CG2-CD1 3.76Å; D95-L125 WeakPolarHBondContact O-CD2 3.32Å; L99-L125 HydrophobicContact CB-CD2 3.65Å; L99-L125 HydrophobicContact CB-CG 4.17Å; L99-L125 HydrophobicContact CD1-CD1 4.48Å; L99-L125 HydrophobicContact CD1-CD2 4.23Å; L99-L125 HydrophobicContact CD1-CG 3.79Å; P122-L125 HydrophobicContact CB-CB 4.28Å; P122-L125 PolarHBondContact O-N 3.46Å; L125-Q127 PolarHBondContact O-N 3.28Å; L125-L128 PolarHBondContact O-N 2.82Å; L125-V129 PolarHBondContact O-N 2.78Å
126	C	98.2	Very high	97.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61.9	-31	172.7	-69.8	0	0	0	0	112.6	F36 V119 G121 P122 V123 V129 Y410	F36-C126 HydrophobicContact CD2-CB 3.59Å; F36-C126 HydrophobicContact CE2-CB 3.56Å; V119-C126 HydrophobicContact CG1-CB 4.42Å; G121-C126 PolarHBondContact N-SG 2.63Å; G121-C126 VanDerWaalsContact N-SG 3.43Å; P122-C126 PolarHBondContact O-N 3.41Å; V123-C126 PolarHBondContact O-N 3.1Å; C126-V129 WeakPolarHBondContact O-CG2 3.44Å; C126-Y410 PolarHBondContact O-OH 2.86Å
127	Q	97.7	Very high	97.9	Very high	6 Å²	6	11.4 Å²	11.4	3%	0.028	6%	0.064	C	C	.	.	H	α-helix	trans	-74.7	-44.9	177.9	-170.9	59.9	65.8	0	0	111.9	E17 M20 V123 V124 L125 V129 E130	E17-Q127 HydrophobicContact CB-CG 4.35Å; E17-Q127 HydrophobicContact CG-CG 4.35Å; E17-Q127 VanDerWaalsContact CG-O 3.29Å; E17-Q127 WeakPolarHBondContact CG-O 2.79Å; M20-Q127 HydrophobicContact CE-CG 3.68Å; M20-Q127 VanDerWaalsContact CE-NE2 3.26Å; M20-Q127 VanDerWaalsContact CE-OE1 3.31Å; V123-Q127 VanDerWaalsContact O-CB 3.27Å; V123-Q127 WeakPolarHBondContact O-CB 3.31Å; V123-Q127 PolarHBondContact O-N 2.95Å; V124-Q127 WeakPolarHBondContact O-CB 3.46Å; V124-Q127 PolarHBondContact O-N 3Å; V124-Q127 VanDerWaalsContact O-N 3.14Å; L125-Q127 PolarHBondContact O-N 3.28Å; Q127-V129 PolarHBondContact O-N 3.34Å; Q127-E130 PolarHBondContact NE2-OE2 3.43Å; Q127-E130 WeakPolarHBondContact O-CB 3.06Å; Q127-E130 PolarHBondContact O-N 2.96Å
128	L	97.8	Very high	97.8	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.9	-28.1	-176.3	-72.9	168.2	0	0	0	113.5	L18 F65 F67 L91 I94 V124 L125	L18-L128 HydrophobicContact CD2-CD2 3.95Å; F65-L128 HydrophobicContact CZ-CB 4.35Å; F65-L128 HydrophobicContact CZ-CD1 4.47Å; F67-L128 HydrophobicContact CE2-CD1 4.07Å; F67-L128 HydrophobicContact CZ-CD1 4.45Å; F67-L128 HydrophobicContact CZ-CD2 4.24Å; L91-L128 HydrophobicContact CD2-CD1 4.32Å; I94-L128 HydrophobicContact CD1-CD1 3.77Å; V124-L128 HydrophobicContact CG1-CD1 3.8Å; V124-L128 HydrophobicContact CG1-CG 4.29Å; V124-L128 VanDerWaalsContact O-CG 3.29Å; V124-L128 WeakPolarHBondContact O-CG 3.28Å; V124-L128 PolarHBondContact O-N 2.91Å; L125-L128 PolarHBondContact O-N 2.82Å
129	V	97.7	Very high	97.7	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-6.4	-179.6	-58.9	0	0	0	0	113.9	Y61 L62 F65 L99 V119 L125 C126 Q127 L133	Y61-V129 HydrophobicContact CE1-CB 4.14Å; Y61-V129 HydrophobicContact CE1-CG1 4.04Å; L62-V129 HydrophobicContact CD2-CG1 4.06Å; F65-V129 HydrophobicContact CD2-CG1 4.31Å; F65-V129 HydrophobicContact CE2-CG1 4.07Å; L99-V129 HydrophobicContact CD1-CG1 4.47Å; L99-V129 HydrophobicContact CD1-CG2 4.18Å; V119-V129 HydrophobicContact CG1-CG2 4.24Å; L125-V129 PolarHBondContact O-N 2.78Å; C126-V129 WeakPolarHBondContact O-CG2 3.44Å; Q127-V129 PolarHBondContact O-N 3.34Å; V129-L133 HydrophobicContact CB-CD1 3.95Å; V129-L133 HydrophobicContact CB-CG 4.17Å; V129-L133 HydrophobicContact CG2-CD1 3.69Å; V129-L133 HydrophobicContact CG2-CG 4.43Å; V129-L133 WeakPolarHBondContact O-CB 3.46Å; V129-L133 WeakPolarHBondContact O-CG 3.36Å; V129-L133 PolarHBondContact O-N 2.79Å
130	E	98.3	Very high	97.7	Very high	20 Å²	20	15 Å²	15	9%	0.093	8%	0.08	C	C	.	.	H	α-helix	trans	-56.2	-63.8	-169.8	171	164.9	-178.1	0	0	113.3	Y16 E17 Q127 T132 L133 L134 Y410	Y16-E130 PolarHBondContact OH-OE1 2.68Å; E17-E130 HydrophobicContact CG-CB 4.44Å; Q127-E130 PolarHBondContact NE2-OE2 3.43Å; Q127-E130 WeakPolarHBondContact O-CB 3.06Å; Q127-E130 PolarHBondContact O-N 2.96Å; E130-T132 VanDerWaalsContact C-N 3.35Å; E130-T132 PolarHBondContact O-N 3.43Å; E130-L133 PolarHBondContact O-N 2.85Å; E130-L134 HydrophobicContact CG-CD1 4.06Å; E130-L134 WeakPolarHBondContact O-CB 3.05Å; E130-L134 WeakPolarHBondContact O-CG 3.37Å; E130-L134 PolarHBondContact O-N 2.96Å; E130-Y410 HydrophobicContact CB-CD1 3.89Å; E130-Y410 HydrophobicContact CB-CD2 4.42Å; E130-Y410 HydrophobicContact CB-CE1 3.96Å; E130-Y410 HydrophobicContact CB-CG 4.14Å; E130-Y410 VanDerWaalsContact CD-CD1 3.49Å; E130-Y410 HydrophobicContact CG-CD1 3.6Å; E130-Y410 HydrophobicContact CG-CD2 4.2Å; E130-Y410 HydrophobicContact CG-CE1 4.22Å; E130-Y410 HydrophobicContact CG-CG 3.61Å; E130-Y410 WeakPolarHBondContact OE1-CB 3.47Å
131	S	97.9	Very high	97.7	Very high	19 Å²	19	13.8 Å²	13.8	13%	0.133	7%	0.074	C	C	.	.	H	α-helix	trans	-68.1	-35.8	-172.8	15.7	0	0	0	0	111.8	T13 D14 E17 L134 N135	T13-S131 WeakPolarHBondContact CA-OG 3.06Å; T13-S131 PolarHBondContact OG1-OG 2.94Å; T13-S131 VanDerWaalsContact OG1-OG 3.06Å; D14-S131 PolarHBondContact N-OG 3.07Å; D14-S131 VanDerWaalsContact N-OG 3.11Å; E17-S131 WeakPolarHBondContact OE1-CB 3.28Å; E17-S131 PolarHBondContact OE1-OG 2.97Å; S131-L134 PolarHBondContact O-N 2.96Å; S131-N135 VanDerWaalsContact O-CB 3.32Å; S131-N135 WeakPolarHBondContact O-CB 3.33Å; S131-N135 PolarHBondContact O-N 3.17Å
132	T	97.2	Very high	97.6	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61.2	-51	174.7	-41.9	0	0	0	0	111.7	V8 F12 Y61 E130 L134 N135 L136	V8-T132 HydrophobicContact CG1-CG2 3.68Å; F12-T132 HydrophobicContact CD1-CG2 4.08Å; F12-T132 PolarHBondContact O-OG1 3.33Å; Y61-T132 HydrophobicContact CD1-CG2 3.62Å; Y61-T132 HydrophobicContact CD2-CG2 4.06Å; Y61-T132 HydrophobicContact CE1-CG2 3.46Å; Y61-T132 VanDerWaalsContact CE1-CG2 3.46Å; Y61-T132 HydrophobicContact CE2-CG2 3.93Å; Y61-T132 HydrophobicContact CG-CG2 3.89Å; Y61-T132 PolarHBondContact OH-OG1 3.07Å; E130-T132 VanDerWaalsContact C-N 3.35Å; E130-T132 PolarHBondContact O-N 3.43Å; T132-L134 VanDerWaalsContact C-N 3.33Å; T132-L134 PolarHBondContact O-N 3.47Å; T132-N135 WeakPolarHBondContact O-CB 3.24Å; T132-N135 PolarHBondContact O-N 3.22Å; T132-L136 HydrophobicContact CG2-CD1 4.13Å; T132-L136 VanDerWaalsContact O-CG 3.31Å; T132-L136 WeakPolarHBondContact O-CG 3.4Å; T132-L136 PolarHBondContact O-N 3.47Å
133	L	98	Very high	97.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-63.7	-39.6	179.1	-68.1	178.8	0	0	0	111.6	I38 C58 Y61 V119 V129 E130 N135 I137 Y410	I38-L133 HydrophobicContact CD1-CB 4.07Å; C58-L133 HydrophobicContact CB-CD2 3.67Å; C58-L133 VanDerWaalsContact SG-CD2 3.53Å; Y61-L133 HydrophobicContact CD1-CD2 4.28Å; V119-L133 HydrophobicContact CG2-CD1 3.89Å; V129-L133 HydrophobicContact CB-CD1 3.95Å; V129-L133 HydrophobicContact CB-CG 4.17Å; V129-L133 HydrophobicContact CG2-CD1 3.69Å; V129-L133 HydrophobicContact CG2-CG 4.43Å; V129-L133 WeakPolarHBondContact O-CB 3.46Å; V129-L133 WeakPolarHBondContact O-CG 3.36Å; V129-L133 PolarHBondContact O-N 2.79Å; E130-L133 PolarHBondContact O-N 2.85Å; L133-N135 VanDerWaalsContact C-N 3.34Å; L133-I137 WeakPolarHBondContact O-CG1 3.24Å; L133-I137 PolarHBondContact O-N 2.8Å; L133-I137 VanDerWaalsContact O-N 3.12Å; L133-Y410 HydrophobicContact CD1-CE2 4.36Å
134	L	98.2	Very high	97.6	Very high	26 Å²	26	12 Å²	12	14%	0.136	6%	0.061	C	C	.	.	H	α-helix	trans	-61.9	-42.1	174.6	-78.5	176.8	0	0	0	112.1	I38 E130 S131 T132 N138 C408	I38-L134 HydrophobicContact CG2-CD2 4.01Å; E130-L134 HydrophobicContact CG-CD1 4.06Å; E130-L134 WeakPolarHBondContact O-CB 3.05Å; E130-L134 WeakPolarHBondContact O-CG 3.37Å; E130-L134 PolarHBondContact O-N 2.96Å; S131-L134 PolarHBondContact O-N 2.96Å; T132-L134 VanDerWaalsContact C-N 3.33Å; T132-L134 PolarHBondContact O-N 3.47Å; L134-N138 WeakPolarHBondContact O-CB 3.21Å; L134-N138 PolarHBondContact O-N 3.07Å; L134-N138 PolarHBondContact O-ND2 3.31Å; L134-C408 HydrophobicContact CD2-CB 3.73Å
135	N	95.9	Very high	97.6	Very high	83 Å²	83	12 Å²	12	44%	0.444	6%	0.061	S	C	.	.	H	α-helix	trans	-61.4	-51.7	178.9	-174.6	-77.4	0	0	0	111	F12 S131 T132 L133 I137 N138 Y139	F12-N135 HydrophobicContact CE1-CB 4.16Å; S131-N135 VanDerWaalsContact O-CB 3.32Å; S131-N135 WeakPolarHBondContact O-CB 3.33Å; S131-N135 PolarHBondContact O-N 3.17Å; T132-N135 WeakPolarHBondContact O-CB 3.24Å; T132-N135 PolarHBondContact O-N 3.22Å; L133-N135 VanDerWaalsContact C-N 3.34Å; N135-I137 VanDerWaalsContact C-N 3.33Å; N135-I137 PolarHBondContact O-N 2.81Å; N135-N138 PolarHBondContact O-N 3.41Å; N135-Y139 PolarHBondContact O-N 3.07Å
136	L	96.1	Very high	97.6	Very high	6 Å²	6	12 Å²	12	3%	0.031	6%	0.061	C	C	.	.	H	α-helix	trans	-60.6	-39.2	-178	-66.3	174.7	0	0	0	112.6	H4 V8 D57 T132 A140	H4-L136 WeakPolarHBondContact NE2-CD2 3.42Å; V8-L136 HydrophobicContact CG1-CD1 4.38Å; V8-L136 HydrophobicContact CG2-CD2 4.27Å; D57-L136 HydrophobicContact CB-CD1 4.38Å; D57-L136 HydrophobicContact CB-CD2 4.02Å; T132-L136 HydrophobicContact CG2-CD1 4.13Å; T132-L136 VanDerWaalsContact O-CG 3.31Å; T132-L136 WeakPolarHBondContact O-CG 3.4Å; T132-L136 PolarHBondContact O-N 3.47Å; L136-A140 WeakPolarHBondContact O-CB 3.44Å
137	I	97.8	Very high	97.6	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-83.1	-38.2	-178.1	-62.5	-51.7	0	0	0	113.2	F52 A53 C58 I116 M117 L133 N135 S141	F52-I137 HydrophobicContact CD2-CG2 4.32Å; F52-I137 HydrophobicContact CE2-CD1 3.88Å; F52-I137 HydrophobicContact CE2-CG1 4.47Å; F52-I137 HydrophobicContact CE2-CG2 4.05Å; F52-I137 HydrophobicContact CZ-CD1 4.14Å; A53-I137 WeakPolarHBondContact O-CD1 3.5Å; C58-I137 VanDerWaalsContact SG-CD1 3.58Å; I116-I137 HydrophobicContact CD1-CG2 3.82Å; M117-I137 HydrophobicContact CE-CD1 3.51Å; M117-I137 HydrophobicContact CE-CG1 3.9Å; M117-I137 HydrophobicContact SD-CD1 4.31Å; M117-I137 HydrophobicContact SD-CG1 4.03Å; L133-I137 WeakPolarHBondContact O-CG1 3.24Å; L133-I137 PolarHBondContact O-N 2.8Å; L133-I137 VanDerWaalsContact O-N 3.12Å; N135-I137 VanDerWaalsContact C-N 3.33Å; N135-I137 PolarHBondContact O-N 2.81Å; I137-S141 VanDerWaalsContact O-CB 3.22Å; I137-S141 WeakPolarHBondContact O-CB 3.23Å; I137-S141 PolarHBondContact O-N 3.35Å; I137-S141 PolarHBondContact O-OG 2.92Å
138	N	97.5	Very high	97.6	Very high	32 Å²	32	11.8 Å²	11.8	17%	0.171	6%	0.06	C	C	.	.	H	α-helix	trans	-59.7	-52.2	-177.9	-91	-59.6	0	0	0	111.4	L134 N135 L142 G407 C408	L134-N138 WeakPolarHBondContact O-CB 3.21Å; L134-N138 PolarHBondContact O-N 3.07Å; L134-N138 PolarHBondContact O-ND2 3.31Å; N135-N138 PolarHBondContact O-N 3.41Å; N138-L142 WeakPolarHBondContact O-CB 3.42Å; N138-L142 PolarHBondContact O-N 2.89Å; N138-G407 PolarHBondContact OD1-N 3.3Å; N138-C408 WeakPolarHBondContact OD1-CB 3.18Å; N138-C408 PolarHBondContact OD1-N 2.93Å
139	Y	95.9	Very high	97.5	Very high	51 Å²	51	12.7 Å²	12.7	20%	0.2	6%	0.064	C	C	.	.	H	α-helix	trans	-69	-49.2	-176.4	-178	-108.6	0	0	0	111.4	N135 S141 L142 V143 G173 S176 A177 Y180	N135-Y139 PolarHBondContact O-N 3.07Å; Y139-S141 PolarHBondContact O-N 2.91Å; Y139-L142 PolarHBondContact O-N 3.31Å; Y139-V143 HydrophobicContact CD1-CG2 4.46Å; Y139-V143 HydrophobicContact CD2-CG2 4.01Å; Y139-V143 HydrophobicContact CE1-CG2 4Å; Y139-V143 HydrophobicContact CE2-CG2 3.52Å; Y139-V143 HydrophobicContact CG-CG2 4.45Å; Y139-V143 PolarHBondContact O-N 2.9Å; Y139-G173 PolarHBondContact OH-O 2.77Å; Y139-G173 VanDerWaalsContact OH-O 3.11Å; Y139-S176 VanDerWaalsContact CE1-OG 3.25Å; Y139-S176 WeakPolarHBondContact CE1-OG 3.14Å; Y139-A177 WeakPolarHBondContact OH-CB 3.33Å; Y139-Y180 HydrophobicContact CD1-CD2 4.03Å; Y139-Y180 AromaticContact CD1-CE2 3.81Å; Y139-Y180 HydrophobicContact CD1-CE2 3.81Å; Y139-Y180 AromaticContact CE1-CD2 3.99Å; Y139-Y180 HydrophobicContact CE1-CD2 3.99Å; Y139-Y180 HydrophobicContact CE1-CE2 4.08Å
140	A	97.2	Very high	97.5	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-56.4	-50.5	-178.7	0	0	0	0	0	112.6	A53 L136 L142 T144 Y180	A53-A140 VanDerWaalsContact C-CB 3.47Å; A53-A140 HydrophobicContact CB-CB 3.9Å; A53-A140 WeakPolarHBondContact O-CB 3.49Å; L136-A140 WeakPolarHBondContact O-CB 3.44Å; A140-L142 VanDerWaalsContact C-N 3.34Å; A140-L142 PolarHBondContact O-N 3.28Å; A140-T144 VanDerWaalsContact O-CB 3.26Å; A140-T144 WeakPolarHBondContact O-CB 3.36Å; A140-T144 PolarHBondContact O-N 3.28Å; A140-T144 PolarHBondContact O-OG1 2.94Å; A140-Y180 HydrophobicContact CB-CD1 3.82Å; A140-Y180 HydrophobicContact CB-CD2 4.07Å; A140-Y180 HydrophobicContact CB-CE1 3.39Å; A140-Y180 HydrophobicContact CB-CE2 3.62Å; A140-Y180 HydrophobicContact CB-CG 4.17Å
141	S	98.5	Very high	97.4	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.007	7%	0.065	C	C	.	.	H	α-helix	trans	-67.7	-35.5	-178.7	-60.5	0	0	0	0	111.8	I51 A53 I137 Y139 T145	I51-S141 WeakPolarHBondContact O-CA 3.3Å; A53-S141 PolarHBondContact N-OG 2.84Å; A53-S141 PolarHBondContact O-OG 3.03Å; A53-S141 VanDerWaalsContact O-OG 3.14Å; I137-S141 VanDerWaalsContact O-CB 3.22Å; I137-S141 WeakPolarHBondContact O-CB 3.23Å; I137-S141 PolarHBondContact O-N 3.35Å; I137-S141 PolarHBondContact O-OG 2.92Å; Y139-S141 PolarHBondContact O-N 2.91Å; S141-T145 VanDerWaalsContact O-CB 3.22Å; S141-T145 WeakPolarHBondContact O-CB 3.26Å; S141-T145 PolarHBondContact O-N 2.99Å; S141-T145 PolarHBondContact O-OG1 2.53Å
142	L	98.1	Very high	97.3	Very high	3 Å²	3	15.6 Å²	15.6	2%	0.016	8%	0.076	C	C	.	.	H	α-helix	trans	-65.7	-51.8	178	-174.3	73.4	0	0	0	111.9	P44 F45 N138 Y139 A140 T145 N146 C400 Q403 P404 L406	P44-L142 HydrophobicContact CB-CD1 3.68Å; P44-L142 HydrophobicContact CG-CD1 4.32Å; F45-L142 HydrophobicContact CE1-CD1 4.1Å; F45-L142 HydrophobicContact CE2-CD1 4.02Å; F45-L142 HydrophobicContact CZ-CD1 3.49Å; F45-L142 VanDerWaalsContact CZ-CD1 3.49Å; F45-L142 HydrophobicContact CZ-CG 3.91Å; N138-L142 WeakPolarHBondContact O-CB 3.42Å; N138-L142 PolarHBondContact O-N 2.89Å; Y139-L142 PolarHBondContact O-N 3.31Å; A140-L142 VanDerWaalsContact C-N 3.34Å; A140-L142 PolarHBondContact O-N 3.28Å; L142-T145 PolarHBondContact O-N 3.37Å; L142-N146 WeakPolarHBondContact O-CB 3.33Å; L142-N146 PolarHBondContact O-N 3.03Å; L142-C400 HydrophobicContact CD2-CB 3.76Å; L142-C400 HydrophobicContact CG-CB 4.05Å; L142-Q403 WeakPolarHBondContact CD2-O 3.42Å; L142-P404 VanDerWaalsContact CD2-C 3.46Å; L142-P404 WeakPolarHBondContact CD2-O 3.21Å; L142-L406 HydrophobicContact CB-CB 4.34Å; L142-L406 HydrophobicContact CD1-CB 4.32Å
143	V	98	Very high	97.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-66.7	-42.5	-179.2	177.9	0	0	0	0	111	Y139 T145 N146 A147	Y139-V143 HydrophobicContact CD1-CG2 4.46Å; Y139-V143 HydrophobicContact CD2-CG2 4.01Å; Y139-V143 HydrophobicContact CE1-CG2 4Å; Y139-V143 HydrophobicContact CE2-CG2 3.52Å; Y139-V143 HydrophobicContact CG-CG2 4.45Å; Y139-V143 PolarHBondContact O-N 2.9Å; V143-T145 VanDerWaalsContact C-N 3.32Å; V143-T145 PolarHBondContact O-N 2.96Å; V143-N146 WeakPolarHBondContact O-CB 3.34Å; V143-N146 PolarHBondContact O-N 3.15Å; V143-A147 WeakPolarHBondContact O-CB 3.38Å; V143-A147 PolarHBondContact O-N 3.27Å
144	T	98.4	Very high	97	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-60.2	-44.4	176.7	-55.1	0	0	0	0	110.6	I51 A53 A140 A147 T148 Y180 L183	I51-T144 HydrophobicContact CB-CG2 3.95Å; I51-T144 HydrophobicContact CG2-CG2 3.57Å; A53-T144 HydrophobicContact CB-CG2 4.28Å; A53-T144 WeakPolarHBondContact CB-OG1 3.2Å; A140-T144 VanDerWaalsContact O-CB 3.26Å; A140-T144 WeakPolarHBondContact O-CB 3.36Å; A140-T144 PolarHBondContact O-N 3.28Å; A140-T144 PolarHBondContact O-OG1 2.94Å; T144-A147 PolarHBondContact O-N 3.09Å; T144-T148 PolarHBondContact O-N 2.94Å; T144-T148 PolarHBondContact O-OG1 2.81Å; T144-T148 VanDerWaalsContact O-OG1 3.04Å; T144-Y180 WeakPolarHBondContact CA-O 3.31Å; T144-Y180 WeakPolarHBondContact OG1-CB 3.25Å; T144-L183 HydrophobicContact CG2-CB 3.97Å
145	T	98.2	Very high	96.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.5	-43.6	176.6	-57.6	0	0	0	0	111.6	P44 F45 F49 T50 I51 S141 L142 V143 T148 R149	P44-T145 HydrophobicContact CG-CG2 3.81Å; F45-T145 HydrophobicContact CD2-CG2 4.35Å; F45-T145 HydrophobicContact CE2-CG2 4.34Å; F49-T145 HydrophobicContact CE2-CG2 4.37Å; T50-T145 WeakPolarHBondContact CG2-OG1 3.34Å; I51-T145 PolarHBondContact N-OG1 3.22Å; I51-T145 PolarHBondContact O-OG1 3.07Å; S141-T145 VanDerWaalsContact O-CB 3.22Å; S141-T145 WeakPolarHBondContact O-CB 3.26Å; S141-T145 PolarHBondContact O-N 2.99Å; S141-T145 PolarHBondContact O-OG1 2.53Å; L142-T145 PolarHBondContact O-N 3.37Å; V143-T145 VanDerWaalsContact C-N 3.32Å; V143-T145 PolarHBondContact O-N 2.96Å; T145-T148 PolarHBondContact O-N 2.93Å; T145-R149 WeakPolarHBondContact O-CG 3.41Å; T145-R149 PolarHBondContact O-N 2.94Å
146	N	97.6	Very high	96.5	Very high	5 Å²	5	17.7 Å²	17.7	3%	0.027	10%	0.099	C	C	.	.	H	α-helix	trans	-57.4	-53.7	175.9	-161.9	25.5	0	0	0	109.6	F45 L142 V143 T148 R149 Y150 N396 L397	F45-N146 HydrophobicContact CE2-CB 3.7Å; F45-N146 HydrophobicContact CZ-CB 3.7Å; L142-N146 WeakPolarHBondContact O-CB 3.33Å; L142-N146 PolarHBondContact O-N 3.03Å; V143-N146 WeakPolarHBondContact O-CB 3.34Å; V143-N146 PolarHBondContact O-N 3.15Å; N146-T148 VanDerWaalsContact C-N 3.31Å; N146-T148 PolarHBondContact O-N 3.28Å; N146-R149 WeakPolarHBondContact O-CA 3.35Å; N146-R149 WeakPolarHBondContact O-CB 3.34Å; N146-R149 PolarHBondContact O-N 3.38Å; N146-Y150 VanDerWaalsContact O-CD2 3.29Å; N146-Y150 WeakPolarHBondContact O-CD2 3.24Å; N146-Y150 PolarHBondContact O-N 3.5Å; N146-Y150 VanDerWaalsContact O-N 3.07Å; N146-Y150 WeakPolarHBondContact OD1-CE2 3.11Å; N146-N396 PolarHBondContact ND2-O 2.82Å; N146-N396 VanDerWaalsContact ND2-O 3.07Å; N146-L397 WeakPolarHBondContact ND2-CA 3.46Å; N146-L397 PolarHBondContact ND2-O 2.81Å
147	A	98.1	Very high	96.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-56.4	-40.9	178.5	0	0	0	0	0	113.5	V143 T144 R149 Y150 R151 A181 G184 Y186 L397	V143-A147 WeakPolarHBondContact O-CB 3.38Å; V143-A147 PolarHBondContact O-N 3.27Å; T144-A147 PolarHBondContact O-N 3.09Å; A147-R149 VanDerWaalsContact C-N 3.33Å; A147-R149 PolarHBondContact O-N 2.9Å; A147-Y150 WeakPolarHBondContact O-CB 3.11Å; A147-Y150 PolarHBondContact O-N 3.43Å; A147-R151 PolarHBondContact O-N 3.3Å; A147-A181 HydrophobicContact CB-CB 4.34Å; A147-G184 CarbonylContact C-O 3.47Å; A147-Y186 HydrophobicContact CB-CD2 3.88Å; A147-Y186 HydrophobicContact CB-CE2 3.86Å; A147-L397 HydrophobicContact CB-CD1 3.85Å
148	T	97.5	Very high	96.3	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.006	14%	0.141	C	C	.	.	H	α-helix	trans	-62.2	-38.5	174.1	-62.2	0	0	0	0	112.8	F49 I51 T144 T145 N146 R151 L152 G184 L517	F49-T148 HydrophobicContact CE2-CG2 3.91Å; F49-T148 HydrophobicContact CZ-CG2 4.22Å; I51-T148 HydrophobicContact CD1-CG2 4.49Å; I51-T148 HydrophobicContact CG1-CG2 4.13Å; T144-T148 PolarHBondContact O-N 2.94Å; T144-T148 PolarHBondContact O-OG1 2.81Å; T144-T148 VanDerWaalsContact O-OG1 3.04Å; T145-T148 PolarHBondContact O-N 2.93Å; N146-T148 VanDerWaalsContact C-N 3.31Å; N146-T148 PolarHBondContact O-N 3.28Å; T148-R151 PolarHBondContact O-N 2.98Å; T148-L152 WeakPolarHBondContact O-CG 3.35Å; T148-L152 PolarHBondContact O-N 3.49Å; T148-G184 WeakPolarHBondContact CA-O 3.44Å; T148-G184 PolarHBondContact N-O 2.85Å; T148-G184 VanDerWaalsContact OG1-CA 3.31Å; T148-G184 WeakPolarHBondContact OG1-CA 3.5Å; T148-G184 PolarHBondContact OG1-O 2.88Å; T148-L517 HydrophobicContact CG2-CD1 4.36Å; T148-L517 HydrophobicContact CG2-CD2 3.55Å
149	R	96.3	Very high	96.3	Very high	20 Å²	20	27.4 Å²	27.4	8%	0.075	15%	0.153	C	C	.	.	H	α-helix	trans	-65.7	-40	174.9	-65.9	169.1	60.7	86.8	10.1	111.8	F49 T145 N146 A147 R151 L152 A153 E375	F49-R149 HydrophobicContact CZ-CG 3.98Å; T145-R149 WeakPolarHBondContact O-CG 3.41Å; T145-R149 PolarHBondContact O-N 2.94Å; N146-R149 WeakPolarHBondContact O-CA 3.35Å; N146-R149 WeakPolarHBondContact O-CB 3.34Å; N146-R149 PolarHBondContact O-N 3.38Å; A147-R149 VanDerWaalsContact C-N 3.33Å; A147-R149 PolarHBondContact O-N 2.9Å; R149-R151 PolarHBondContact O-N 3.38Å; R149-L152 PolarHBondContact O-N 3.14Å; R149-A153 WeakPolarHBondContact O-CB 3.44Å; R149-A153 PolarHBondContact O-N 3.43Å; R149-E375 HydrophobicContact CB-CG 4.38Å; R149-E375 WeakPolarHBondContact CB-OE1 3.31Å; R149-E375 WeakPolarHBondContact CD-OE1 3.41Å; R149-E375 IonicContact CZ-OE1 3.77Å; R149-E375 IonicContact CZ-OE2 3.28Å; R149-E375 VanDerWaalsContact CZ-OE2 3.29Å; R149-E375 VanDerWaalsContact NE-CD 3.33Å; R149-E375 IonicContact NE-OE1 3.48Å; R149-E375 PolarHBondContact NE-OE1 3.21Å; R149-E375 IonicContact NE-OE2 3.87Å; R149-E375 PolarHBondContact NE-OE2 3.43Å; R149-E375 VanDerWaalsContact NE-OE2 3.09Å; R149-E375 IonicContact NH2-OE1 2.86Å; R149-E375 IonicContact NH2-OE2 3.32Å; R149-E375 PolarHBondContact NH2-OE2 2.97Å
150	Y	96.7	Very high	96.4	Very high	6 Å²	6	25 Å²	25	2%	0.024	14%	0.143	C	C	.	.	H	α-helix	trans	-62.3	-41.2	171.8	-81	-105.5	0	0	0	112.2	N146 A147 A153 C154 Y186 N374 E375 L378 V393 N396 L397	N146-Y150 VanDerWaalsContact O-CD2 3.29Å; N146-Y150 WeakPolarHBondContact O-CD2 3.24Å; N146-Y150 PolarHBondContact O-N 3.5Å; N146-Y150 VanDerWaalsContact O-N 3.07Å; N146-Y150 WeakPolarHBondContact OD1-CE2 3.11Å; A147-Y150 WeakPolarHBondContact O-CB 3.11Å; A147-Y150 PolarHBondContact O-N 3.43Å; Y150-A153 PolarHBondContact O-N 2.87Å; Y150-C154 VanDerWaalsContact O-CB 3.24Å; Y150-C154 WeakPolarHBondContact O-CB 3.25Å; Y150-C154 PolarHBondContact O-N 2.86Å; Y150-Y186 WeakPolarHBondContact CB-OH 3.33Å; Y150-Y186 WeakPolarHBondContact CD1-OH 3.42Å; Y150-N374 WeakPolarHBondContact OH-CA 3.25Å; Y150-E375 HydrophobicContact CD2-CG 3.77Å; Y150-E375 HydrophobicContact CE2-CG 3.72Å; Y150-E375 HydrophobicContact CG-CG 4.26Å; Y150-L378 HydrophobicContact CD1-CD1 3.62Å; Y150-L378 HydrophobicContact CE1-CD1 4.42Å; Y150-L378 HydrophobicContact CG-CD1 4.33Å; Y150-V393 HydrophobicContact CD1-CG1 4Å; Y150-V393 HydrophobicContact CD1-CG2 4.01Å; Y150-V393 HydrophobicContact CE1-CB 4.44Å; Y150-V393 HydrophobicContact CE1-CG1 3.48Å; Y150-V393 VanDerWaalsContact CE1-CG1 3.48Å; Y150-V393 HydrophobicContact CE1-CG2 4.2Å; Y150-N396 WeakPolarHBondContact OH-CB 3.43Å; Y150-L397 HydrophobicContact CD2-CD1 4.3Å
151	R	96.3	Very high	96.5	Very high	24 Å²	24	26.3 Å²	26.3	9%	0.091	15%	0.148	C	C	.	.	H	α-helix	trans	-61.2	-44.4	173.9	172.1	53.1	63.7	-167.5	5.1	111.6	A147 T148 R149 A153 C154 G155 K158 L160 G185 D187 M514	A147-R151 PolarHBondContact O-N 3.3Å; T148-R151 PolarHBondContact O-N 2.98Å; R149-R151 PolarHBondContact O-N 3.38Å; R151-A153 VanDerWaalsContact C-N 3.29Å; R151-A153 PolarHBondContact O-N 3.4Å; R151-C154 PolarHBondContact O-N 3.12Å; R151-G155 PolarHBondContact NH1-O 3.35Å; R151-G155 PolarHBondContact O-N 3.31Å; R151-K158 PolarHBondContact NH1-O 3.13Å; R151-L160 HydrophobicContact CB-CD1 4.16Å; R151-G185 PolarHBondContact NE-O 3.1Å; R151-G185 PolarHBondContact NH2-O 3.32Å; R151-D187 IonicContact CZ-OD2 3.81Å; R151-D187 IonicContact NH2-OD1 2.72Å; R151-D187 IonicContact NH2-OD2 3.47Å; R151-D187 PolarHBondContact NH2-OD2 2.86Å; R151-M514 HydrophobicContact CG-CE 3.93Å; R151-M514 HydrophobicContact CG-SD 4.4Å
152	L	95	Very high	96.4	Very high	70 Å²	70	26.3 Å²	26.3	37%	0.366	15%	0.148	S	C	.	.	H	α-helix	trans	-61.3	-39.4	174.9	-73.4	177.1	0	0	0	112	F49 T148 R149 L517 K525	F49-L152 HydrophobicContact CE1-CD1 3.99Å; F49-L152 HydrophobicContact CZ-CD1 3.73Å; T148-L152 WeakPolarHBondContact O-CG 3.35Å; T148-L152 PolarHBondContact O-N 3.49Å; R149-L152 PolarHBondContact O-N 3.14Å; L152-L517 HydrophobicContact CD1-CD1 4.41Å; L152-L517 HydrophobicContact CD1-CD2 4.04Å; L152-L517 HydrophobicContact CD2-CD2 3.68Å; L152-L517 HydrophobicContact CG-CD2 3.93Å; L152-K525 HydrophobicContact CD1-CB 4.42Å; L152-K525 HydrophobicContact CD1-CD 4.46Å
153	A	94.2	Very high	96.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-69.3	-42.4	177.4	0	0	0	0	0	112.8	R149 Y150 R151 L378 H379 N382	R149-A153 WeakPolarHBondContact O-CB 3.44Å; R149-A153 PolarHBondContact O-N 3.43Å; Y150-A153 PolarHBondContact O-N 2.87Å; R151-A153 VanDerWaalsContact C-N 3.29Å; R151-A153 PolarHBondContact O-N 3.4Å; A153-L378 HydrophobicContact CB-CB 3.86Å; A153-L378 HydrophobicContact CB-CD1 4.12Å; A153-H379 WeakPolarHBondContact CA-CE1 3.32Å; A153-H379 VanDerWaalsContact CB-NE2 3.25Å; A153-H379 WeakPolarHBondContact CB-NE2 3.37Å; A153-N382 PolarHBondContact O-ND2 3.08Å
154	C	94.8	Very high	96.3	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.02	16%	0.155	C	C	.	.	H	α-helix	trans	-71.2	-32.2	179.2	-174.8	0	0	0	0	112.6	Y150 R151 L160 L378	Y150-C154 VanDerWaalsContact O-CB 3.24Å; Y150-C154 WeakPolarHBondContact O-CB 3.25Å; Y150-C154 PolarHBondContact O-N 2.86Å; R151-C154 PolarHBondContact O-N 3.12Å; C154-L160 HydrophobicContact CB-CD1 3.75Å; C154-L160 HydrophobicContact CB-CD2 4.13Å; C154-L160 HydrophobicContact CB-CG 3.98Å; C154-L378 HydrophobicContact CB-CD1 4.22Å
155	G	92.6	Very high	96.1	Very high	19 Å²	19	31.5 Å²	31.5	20%	0.196	17%	0.174	C	C	.	.			trans	81.6	-178.8	-170.9	0	0	0	0	0	113	R151	R151-G155 PolarHBondContact NH1-O 3.35Å; R151-G155 PolarHBondContact O-N 3.31Å
156	P	91.7	Very high	95.9	Very high	131 Å²	131	40.9 Å²	40.9	85%	0.851	21%	0.21	S	C	*	.	S	Bend	trans	-86.7	-19.4	-173.9	33	-35.3	0	0	0	114.3
157	S	93.4	Very high	95.8	Very high	105 Å²	105	48.2 Å²	48.2	73%	0.734	24%	0.237	S	C	*	.	S	Bend	trans	-82	-24.3	-171.4	53.4	0	0	0	0	114.1
158	K	96.1	Very high	95.6	Very high	41 Å²	41	49 Å²	49	18%	0.178	24%	0.244	C	C	.	.	S	Bend	trans	-104.8	151.8	-177.4	-66.3	178.9	-177.9	119.4	0	111.2	R151 H386 I388 D389 F391	R151-K158 PolarHBondContact NH1-O 3.13Å; K158-H386 WeakPolarHBondContact CE-CE1 3.47Å; K158-H386 PolarHBondContact NZ-CE1 2.93Å; K158-H386 PolarHBondContact NZ-NE2 3.35Å; K158-I388 VanDerWaalsContact CD-O 3.27Å; K158-I388 WeakPolarHBondContact CD-O 3.27Å; K158-I388 WeakPolarHBondContact CE-O 3.48Å; K158-D389 WeakPolarHBondContact CA-O 3.35Å; K158-F391 HydrophobicContact CB-CE2 4.48Å; K158-F391 HydrophobicContact CD-CE2 3.71Å; K158-F391 HydrophobicContact CD-CZ 4.43Å
159	K	97.9	Very high	95.3	Very high	96 Å²	96	54 Å²	54	42%	0.417	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	151.3	178.9	-61.7	-66.7	-176.9	-179.4	0	112.1	Y161 D187 D389 A390 F391	K159-Y161 HydrophobicContact CB-CE1 4.21Å; K159-Y161 HydrophobicContact CB-CE2 4.23Å; K159-D187 VanDerWaalsContact CA-OD2 3.24Å; K159-D187 WeakPolarHBondContact CA-OD2 3.27Å; K159-D187 HydrophobicContact CD-CB 3.89Å; K159-D187 VanDerWaalsContact CD-CG 3.41Å; K159-D187 VanDerWaalsContact CD-OD2 3.23Å; K159-D187 WeakPolarHBondContact CD-OD2 3.47Å; K159-D187 IonicContact NZ-OD1 3.45Å; K159-D389 PolarHBondContact N-O 2.92Å; K159-A390 HydrophobicContact CB-CB 3.78Å; K159-A390 CarbonylContact O-C 3.56Å; K159-A390 WeakPolarHBondContact O-CA 3.39Å; K159-F391 PolarHBondContact O-N 3.42Å
160	L	98.1	Very high	95.1	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128	172.7	-80	169.8	0	0	0	110.3	R151 C154 Y186 D187 L378 F391 V393	R151-L160 HydrophobicContact CB-CD1 4.16Å; C154-L160 HydrophobicContact CB-CD1 3.75Å; C154-L160 HydrophobicContact CB-CD2 4.13Å; C154-L160 HydrophobicContact CB-CG 3.98Å; L160-Y186 HydrophobicContact CB-CD1 3.79Å; L160-Y186 HydrophobicContact CB-CD2 4.25Å; L160-Y186 HydrophobicContact CB-CE1 3.97Å; L160-Y186 HydrophobicContact CB-CE2 4.4Å; L160-Y186 HydrophobicContact CB-CG 3.93Å; L160-Y186 HydrophobicContact CD1-CD2 4.38Å; L160-Y186 HydrophobicContact CD1-CE2 4.11Å; L160-Y186 HydrophobicContact CD2-CE1 4.35Å; L160-D187 PolarHBondContact N-OD2 2.88Å; L160-D187 PolarHBondContact O-N 2.68Å; L160-L378 HydrophobicContact CD2-CD1 4.47Å; L160-F391 CarbonylContact C-O 3.48Å; L160-F391 WeakPolarHBondContact CA-O 3.39Å; L160-F391 HydrophobicContact CD2-CB 3.89Å; L160-V393 HydrophobicContact CD2-CG2 4.09Å
161	Y	98.2	Very high	94.7	Very high	27 Å²	27	60.4 Å²	60.4	11%	0.106	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	138	178.1	-56.2	-49.2	0	0	0	111.7	K159 Y186 D187 G188 V203 L368 A390 F391 C392 V393	K159-Y161 HydrophobicContact CB-CE1 4.21Å; K159-Y161 HydrophobicContact CB-CE2 4.23Å; Y161-Y186 VanDerWaalsContact C-CD1 3.47Å; Y161-D187 HydrophobicContact CD1-CB 4.25Å; Y161-D187 HydrophobicContact CE1-CB 3.87Å; Y161-G188 WeakPolarHBondContact CA-O 3.07Å; Y161-V203 HydrophobicContact CD1-CB 4.41Å; Y161-V203 HydrophobicContact CD1-CG2 3.87Å; Y161-V203 HydrophobicContact CD2-CG1 4.01Å; Y161-V203 HydrophobicContact CE1-CG2 3.77Å; Y161-V203 HydrophobicContact CE2-CG1 4.06Å; Y161-V203 HydrophobicContact CG-CB 4.37Å; Y161-V203 HydrophobicContact CG-CG1 4.32Å; Y161-V203 HydrophobicContact CG-CG2 4.31Å; Y161-L368 HydrophobicContact CD2-CD2 4.39Å; Y161-L368 HydrophobicContact CE2-CD2 4.3Å; Y161-A390 HydrophobicContact CD2-CB 4.22Å; Y161-A390 HydrophobicContact CE2-CB 3.73Å; Y161-F391 PolarHBondContact N-O 2.93Å; Y161-C392 CarbonylContact O-C 3.46Å; Y161-C392 WeakPolarHBondContact O-CA 3.49Å; Y161-V393 PolarHBondContact O-N 3.44Å
162	E	97.9	Very high	94.4	Very high	1 Å²	1	62 Å²	62	1%	0.005	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	113.7	-179	-177.9	-82.3	124.6	0	0	110.7	G164 L165 S178 A181 Y186 G188 T189 S190 L397 V398	E162-G164 VanDerWaalsContact OE1-CA 3.23Å; E162-G164 WeakPolarHBondContact OE1-CA 3.33Å; E162-G164 PolarHBondContact OE1-N 3.17Å; E162-L165 PolarHBondContact OE1-N 3.29Å; E162-S178 VanDerWaalsContact OE2-CB 3.27Å; E162-S178 WeakPolarHBondContact OE2-CB 3.47Å; E162-S178 PolarHBondContact OE2-OG 3.33Å; E162-A181 HydrophobicContact CB-CB 4.15Å; E162-A181 HydrophobicContact CG-CB 4.02Å; E162-Y186 HydrophobicContact CB-CD1 3.97Å; E162-Y186 HydrophobicContact CB-CE1 4.43Å; E162-G188 PolarHBondContact N-O 2.86Å; E162-T189 WeakPolarHBondContact O-CA 3.16Å; E162-T189 PolarHBondContact O-OG1 3.22Å; E162-T189 PolarHBondContact OE2-OG1 2.94Å; E162-S190 PolarHBondContact O-N 3Å; E162-S190 PolarHBondContact O-OG 3.37Å; E162-L397 HydrophobicContact CB-CD2 4.08Å; E162-L397 HydrophobicContact CG-CD2 3.71Å; E162-V398 HydrophobicContact CG-CG1 4.13Å
163	F	97	Very high	94.2	Very high	34 Å²	34	59.1 Å²	59.1	15%	0.149	32%	0.316	C	S	.	.			trans	-121.7	25.8	-172.7	-87.6	45.4	0	0	0	111.8	S190 V203 C392 V393	F163-S190 WeakPolarHBondContact CA-OG 3.37Å; F163-V203 HydrophobicContact CE1-CB 4.45Å; F163-V203 HydrophobicContact CZ-CG1 4.44Å; F163-C392 HydrophobicContact CB-CB 4.33Å; F163-C392 HydrophobicContact CD1-CB 4Å; F163-C392 HydrophobicContact CD2-CB 3.81Å; F163-C392 HydrophobicContact CE1-CB 4.29Å; F163-C392 HydrophobicContact CE2-CB 4.07Å; F163-C392 HydrophobicContact CG-CB 3.79Å; F163-C392 HydrophobicContact CZ-CB 4.32Å; F163-V393 PolarHBondContact N-O 3.36Å
164	G	95.7	Very high	94.2	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.318	C	S	.	.			trans	-95.1	-6.7	-170.8	0	0	0	0	0	115.5	E162 R166 R167 A168	E162-G164 VanDerWaalsContact OE1-CA 3.23Å; E162-G164 WeakPolarHBondContact OE1-CA 3.33Å; E162-G164 PolarHBondContact OE1-N 3.17Å; G164-R166 VanDerWaalsContact C-N 3.25Å; G164-R166 PolarHBondContact O-N 2.89Å; G164-R167 PolarHBondContact O-N 3.32Å; G164-A168 PolarHBondContact O-N 2.98Å; G164-A168 VanDerWaalsContact O-N 3.1Å
165	L	95.7	Very high	94.1	Very high	78 Å²	78	59.5 Å²	59.5	41%	0.408	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-38.1	-51.9	-177.8	179.2	158.9	0	0	0	113.8	E162 R167 A174 N191	E162-L165 PolarHBondContact OE1-N 3.29Å; L165-R167 PolarHBondContact O-N 3.03Å; L165-A174 HydrophobicContact CG-CB 4.22Å; L165-N191 HydrophobicContact CD1-CB 3.84Å
166	R	94.2	Very high	94.2	Very high	198 Å²	198	58.7 Å²	58.7	75%	0.747	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-73.6	-5.6	-174.8	70.2	-174	175.7	174.5	-0.5	115.1	G164	G164-R166 VanDerWaalsContact C-N 3.25Å; G164-R166 PolarHBondContact O-N 2.89Å
167	R	94.4	Very high	94.4	Very high	159 Å²	159	52.5 Å²	52.5	60%	0.6	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-122.8	-5.1	-177.9	-63.2	-64.3	-168.4	148.5	3.5	113.2	G164 L165 T395 T399	G164-R167 PolarHBondContact O-N 3.32Å; L165-R167 PolarHBondContact O-N 3.03Å; R167-T395 HydrophobicContact CB-CG2 4.22Å; R167-T395 HydrophobicContact CG-CG2 4.47Å; R167-T399 WeakPolarHBondContact O-CG2 3.38Å
168	A	93.8	Very high	94.6	Very high	17 Å²	17	47.6 Å²	47.6	14%	0.14	24%	0.235	C	C	.	.	S	Bend	trans	-71	164.4	177.4	0	0	0	0	0	111.8	G164 G170 A174 V398	G164-A168 PolarHBondContact O-N 2.98Å; G164-A168 VanDerWaalsContact O-N 3.1Å; A168-G170 VanDerWaalsContact C-N 3.26Å; A168-G170 PolarHBondContact O-N 3.14Å; A168-A174 VanDerWaalsContact CB-CA 3.42Å; A168-A174 HydrophobicContact CB-CB 3.74Å; A168-V398 HydrophobicContact CB-CB 4.13Å; A168-V398 HydrophobicContact CB-CG2 3.92Å
169	Q	91.2	Very high	94.7	Very high	106 Å²	106	46.1 Å²	46.1	50%	0.495	23%	0.229	S	C	.	.	S	Bend	trans	-75.1	74.2	-178.5	-65.5	84.7	-5.4	0	0	111.9	V398	Q169-V398 PolarHBondContact OE1-O 3.35Å
170	G	91.9	Very high	94.7	Very high	40 Å²	40	41.7 Å²	41.7	41%	0.412	21%	0.21	S	C	.	.	H	α-helix	trans	78.4	179.1	179.2	0	0	0	0	0	114	A168 D172 G173 A174	A168-G170 VanDerWaalsContact C-N 3.26Å; A168-G170 PolarHBondContact O-N 3.14Å; G170-D172 PolarHBondContact O-N 2.78Å; G170-G173 PolarHBondContact O-N 3.38Å; G170-A174 WeakPolarHBondContact O-CB 3.38Å; G170-A174 PolarHBondContact O-N 2.66Å
171	P	89.6	Confident	94.7	Very high	120 Å²	120	41.7 Å²	41.7	78%	0.779	21%	0.21	S	C	*	.	H	α-helix	trans	-62.1	-44.3	-173.4	-25	34.9	0	0	0	114.2	A174 L175	P171-A174 PolarHBondContact O-N 2.83Å; P171-L175 WeakPolarHBondContact O-CB 3.46Å; P171-L175 PolarHBondContact O-N 2.83Å
172	D	88.6	Confident	94.7	Very high	58 Å²	58	41.3 Å²	41.3	31%	0.31	21%	0.208	S	C	.	.	H	α-helix	trans	-69.4	-39.2	178.7	-174.2	55	0	0	0	111.4	H4 G170 A174 L175 S176	H4-D172 IonicContact CG-OD1 2.93Å; H4-D172 IonicContact ND1-OD1 2.74Å; H4-D172 PolarHBondContact ND1-OD1 3.19Å; H4-D172 VanDerWaalsContact ND1-OD1 3.11Å; H4-D172 IonicContact ND1-OD2 3.17Å; H4-D172 PolarHBondContact ND1-OD2 3.39Å; G170-D172 PolarHBondContact O-N 2.78Å; D172-A174 VanDerWaalsContact C-N 3.34Å; D172-A174 PolarHBondContact O-N 3.39Å; D172-L175 PolarHBondContact O-N 3.02Å; D172-S176 WeakPolarHBondContact O-CB 3.43Å; D172-S176 PolarHBondContact O-N 2.76Å; D172-S176 PolarHBondContact O-OG 2.74Å
173	G	91.2	Very high	94.7	Very high	9 Å²	9	41.4 Å²	41.4	9%	0.093	21%	0.209	C	C	.	.	H	α-helix	trans	-58.3	-44.4	170.8	0	0	0	0	0	112	Y139 G170 S176 A177	Y139-G173 PolarHBondContact OH-O 2.77Å; Y139-G173 VanDerWaalsContact OH-O 3.11Å; G170-G173 PolarHBondContact O-N 3.38Å; G173-S176 PolarHBondContact O-OG 3.23Å; G173-A177 WeakPolarHBondContact O-CB 3.44Å; G173-A177 PolarHBondContact O-N 3.21Å
174	A	93.7	Very high	94.7	Very high	5 Å²	5	39.8 Å²	39.8	4%	0.041	20%	0.202	C	C	.	.	H	α-helix	trans	-64	-41.9	177.8	0	0	0	0	0	113.3	L165 A168 G170 P171 D172 S178 N191	L165-A174 HydrophobicContact CG-CB 4.22Å; A168-A174 VanDerWaalsContact CB-CA 3.42Å; A168-A174 HydrophobicContact CB-CB 3.74Å; G170-A174 WeakPolarHBondContact O-CB 3.38Å; G170-A174 PolarHBondContact O-N 2.66Å; P171-A174 PolarHBondContact O-N 2.83Å; D172-A174 VanDerWaalsContact C-N 3.34Å; D172-A174 PolarHBondContact O-N 3.39Å; A174-S178 PolarHBondContact O-OG 2.75Å; A174-N191 PolarHBondContact O-ND2 3.19Å
175	L	94	Very high	94.8	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.026	20%	0.202	C	C	.	.	H	α-helix	trans	-69.1	-50.3	-179.7	175.9	63.9	0	0	0	111.8	F5 P171 D172 S178 L193 S194 I197 Y198	F5-L175 HydrophobicContact CD2-CD2 4.26Å; F5-L175 HydrophobicContact CE2-CD2 3.1Å; F5-L175 HydrophobicContact CZ-CD2 3.38Å; P171-L175 WeakPolarHBondContact O-CB 3.46Å; P171-L175 PolarHBondContact O-N 2.83Å; D172-L175 PolarHBondContact O-N 3.02Å; L175-S178 PolarHBondContact O-N 2.86Å; L175-L193 HydrophobicContact CD1-CB 4.26Å; L175-L193 HydrophobicContact CD1-CD2 4.28Å; L175-L193 HydrophobicContact CD1-CG 3.96Å; L175-L193 HydrophobicContact CD2-CD2 4.24Å; L175-S194 VanDerWaalsContact CD1-OG 3.28Å; L175-S194 WeakPolarHBondContact CD1-OG 3.32Å; L175-S194 PolarHBondContact O-OG 3.23Å; L175-I197 HydrophobicContact CD2-CD1 4.47Å; L175-Y198 HydrophobicContact CD1-CE2 3.81Å; L175-Y198 HydrophobicContact CG-CE2 4.03Å
176	S	93.8	Very high	94.9	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-70.7	-32.7	-179	61.6	0	0	0	0	111.9	Y139 D172 G173 S178 K179 Y180	Y139-S176 VanDerWaalsContact CE1-OG 3.25Å; Y139-S176 WeakPolarHBondContact CE1-OG 3.14Å; D172-S176 WeakPolarHBondContact O-CB 3.43Å; D172-S176 PolarHBondContact O-N 2.76Å; D172-S176 PolarHBondContact O-OG 2.74Å; G173-S176 PolarHBondContact O-OG 3.23Å; S176-S178 VanDerWaalsContact C-N 3.3Å; S176-S178 PolarHBondContact O-N 3.33Å; S176-K179 WeakPolarHBondContact O-CB 3.45Å; S176-K179 PolarHBondContact O-N 3.1Å; S176-K179 VanDerWaalsContact O-N 3.14Å; S176-Y180 WeakPolarHBondContact O-CD2 3.43Å; S176-Y180 PolarHBondContact O-N 3.32Å
177	A	96.5	Very high	95.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-53.7	-44.9	171.8	0	0	0	0	0	112.5	Y139 G173 K179 Y180 A181 V398	Y139-A177 WeakPolarHBondContact OH-CB 3.33Å; G173-A177 WeakPolarHBondContact O-CB 3.44Å; G173-A177 PolarHBondContact O-N 3.21Å; A177-K179 VanDerWaalsContact C-N 3.35Å; A177-K179 PolarHBondContact O-N 2.79Å; A177-Y180 PolarHBondContact O-N 3.18Å; A177-A181 WeakPolarHBondContact O-CB 3.4Å; A177-A181 PolarHBondContact O-N 2.77Å; A177-V398 HydrophobicContact CB-CB 3.98Å; A177-V398 HydrophobicContact CB-CG1 3.75Å
178	S	97.5	Very high	95.3	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.014	13%	0.125	C	C	.	.	H	α-helix	trans	-62.9	-41.3	179.3	-49.1	0	0	0	0	111.9	E162 A174 L175 S176 Y182 T189 N191 S194	E162-S178 VanDerWaalsContact OE2-CB 3.27Å; E162-S178 WeakPolarHBondContact OE2-CB 3.47Å; E162-S178 PolarHBondContact OE2-OG 3.33Å; A174-S178 PolarHBondContact O-OG 2.75Å; L175-S178 PolarHBondContact O-N 2.86Å; S176-S178 VanDerWaalsContact C-N 3.3Å; S176-S178 PolarHBondContact O-N 3.33Å; S178-Y182 WeakPolarHBondContact O-CB 3.35Å; S178-Y182 PolarHBondContact O-N 2.87Å; S178-T189 PolarHBondContact OG-OG1 3.38Å; S178-N191 WeakPolarHBondContact OG-CB 3.4Å; S178-S194 VanDerWaalsContact CB-CB 3.42Å; S178-S194 WeakPolarHBondContact CB-OG 3.22Å; S178-S194 PolarHBondContact OG-OG 3.19Å
179	K	97.4	Very high	95.5	Very high	11 Å²	11	19.6 Å²	19.6	5%	0.048	12%	0.119	C	C	.	.	H	α-helix	trans	-57.7	-52.2	175.3	179.1	-168.3	178.3	-174.6	0	110.7	D57 S176 A177 Y182 L183 Y198 L506	D57-K179 IonicContact OD1-NZ 2.99Å; D57-K179 PolarHBondContact OD1-NZ 2.82Å; D57-K179 IonicContact OD2-NZ 2.9Å; D57-K179 PolarHBondContact OD2-NZ 3.13Å; S176-K179 WeakPolarHBondContact O-CB 3.45Å; S176-K179 PolarHBondContact O-N 3.1Å; S176-K179 VanDerWaalsContact O-N 3.14Å; A177-K179 VanDerWaalsContact C-N 3.35Å; A177-K179 PolarHBondContact O-N 2.79Å; K179-Y182 WeakPolarHBondContact O-CB 3.33Å; K179-Y182 PolarHBondContact O-N 2.92Å; K179-L183 PolarHBondContact O-N 2.95Å; K179-Y198 HydrophobicContact CB-CD2 3.86Å; K179-Y198 HydrophobicContact CB-CE2 3.76Å; K179-Y198 HydrophobicContact CB-CG 4.33Å; K179-Y198 HydrophobicContact CD-CD1 4.26Å; K179-Y198 HydrophobicContact CD-CE1 3.83Å; K179-Y198 HydrophobicContact CD-CE2 4.36Å; K179-Y198 HydrophobicContact CG-CD1 4.34Å; K179-Y198 HydrophobicContact CG-CD2 4.37Å; K179-Y198 HydrophobicContact CG-CE1 4.34Å; K179-Y198 HydrophobicContact CG-CE2 4.36Å; K179-Y198 HydrophobicContact CG-CG 4.36Å; K179-L506 HydrophobicContact CG-CD1 3.9Å
180	Y	98	Very high	95.8	Very high	3 Å²	3	16.3 Å²	16.3	1%	0.012	11%	0.108	C	C	.	.	H	α-helix	trans	-72.9	-31.5	-176.5	-57.7	-44.4	0	0	0	112.7	A53 D57 Y139 A140 T144 S176 A177 Y182 L183 G184	A53-Y180 HydrophobicContact CB-CD1 4.3Å; D57-Y180 PolarHBondContact OD2-OH 3.34Å; Y139-Y180 HydrophobicContact CD1-CD2 4.03Å; Y139-Y180 AromaticContact CD1-CE2 3.81Å; Y139-Y180 HydrophobicContact CD1-CE2 3.81Å; Y139-Y180 AromaticContact CE1-CD2 3.99Å; Y139-Y180 HydrophobicContact CE1-CD2 3.99Å; Y139-Y180 HydrophobicContact CE1-CE2 4.08Å; A140-Y180 HydrophobicContact CB-CD1 3.82Å; A140-Y180 HydrophobicContact CB-CD2 4.07Å; A140-Y180 HydrophobicContact CB-CE1 3.39Å; A140-Y180 HydrophobicContact CB-CE2 3.62Å; A140-Y180 HydrophobicContact CB-CG 4.17Å; T144-Y180 WeakPolarHBondContact CA-O 3.31Å; T144-Y180 WeakPolarHBondContact OG1-CB 3.25Å; S176-Y180 WeakPolarHBondContact O-CD2 3.43Å; S176-Y180 PolarHBondContact O-N 3.32Å; A177-Y180 PolarHBondContact O-N 3.18Å; Y180-Y182 VanDerWaalsContact C-N 3.35Å; Y180-L183 HydrophobicContact CD1-CD1 4.21Å; Y180-L183 PolarHBondContact O-N 3.19Å; Y180-G184 PolarHBondContact O-N 3.45Å
181	A	98.3	Very high	96	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.2	-43.3	170.8	0	0	0	0	0	111.8	A147 E162 A177 G184 G185 Y186 L397	A147-A181 HydrophobicContact CB-CB 4.34Å; E162-A181 HydrophobicContact CB-CB 4.15Å; E162-A181 HydrophobicContact CG-CB 4.02Å; A177-A181 WeakPolarHBondContact O-CB 3.4Å; A177-A181 PolarHBondContact O-N 2.77Å; A181-G184 CarbonylContact O-C 3.49Å; A181-G184 PolarHBondContact O-N 2.89Å; A181-G185 PolarHBondContact O-N 2.98Å; A181-Y186 HydrophobicContact CB-CD2 4.32Å; A181-Y186 HydrophobicContact CB-CG 4.19Å; A181-Y186 WeakPolarHBondContact O-CB 3.4Å; A181-Y186 WeakPolarHBondContact O-CD2 3.32Å; A181-Y186 PolarHBondContact O-N 3.2Å; A181-L397 HydrophobicContact CB-CD2 3.91Å
182	Y	98.3	Very high	96.4	Very high	19 Å²	19	13.9 Å²	13.9	8%	0.075	8%	0.082	C	C	.	.	H	α-helix	trans	-63.2	-46.9	176.6	-169.9	-98.6	0	0	0	111.9	S178 K179 Y180 G184 G185 Y186 I200 L506 D507 R510	S178-Y182 WeakPolarHBondContact O-CB 3.35Å; S178-Y182 PolarHBondContact O-N 2.87Å; K179-Y182 WeakPolarHBondContact O-CB 3.33Å; K179-Y182 PolarHBondContact O-N 2.92Å; Y180-Y182 VanDerWaalsContact C-N 3.35Å; Y182-G184 PolarHBondContact O-N 2.91Å; Y182-G185 PolarHBondContact O-N 3.19Å; Y182-Y186 WeakPolarHBondContact CD2-O 3.42Å; Y182-I200 HydrophobicContact CD1-CG1 4.26Å; Y182-I200 HydrophobicContact CD2-CB 4.46Å; Y182-I200 HydrophobicContact CD2-CG1 4.23Å; Y182-I200 HydrophobicContact CD2-CG2 3.59Å; Y182-I200 HydrophobicContact CE2-CG2 4.05Å; Y182-I200 HydrophobicContact CG-CD1 4.23Å; Y182-I200 HydrophobicContact CG-CG1 3.95Å; Y182-I200 HydrophobicContact CG-CG2 4.12Å; Y182-L506 HydrophobicContact CD1-CD2 3.41Å; Y182-L506 VanDerWaalsContact CD1-CD2 3.41Å; Y182-L506 HydrophobicContact CD1-CG 3.82Å; Y182-L506 HydrophobicContact CE1-CD2 3.89Å; Y182-L506 HydrophobicContact CE1-CG 4.25Å; Y182-L506 HydrophobicContact CG-CD2 4.26Å; Y182-D507 WeakPolarHBondContact CE1-OD1 3.01Å; Y182-D507 PolarHBondContact OH-OD1 2.88Å; Y182-R510 VanDerWaalsContact CZ-NH1 3.28Å; Y182-R510 WeakPolarHBondContact O-CD 3.49Å; Y182-R510 PolarHBondContact OH-NH1 3.47Å; Y182-R510 VanDerWaalsContact OH-NH1 3.08Å
183	L	98.1	Very high	96.7	Very high	2 Å²	2	15 Å²	15	1%	0.01	9%	0.088	C	C	.	.	H	α-helix	trans	-55.5	-39.3	172.2	-72.5	-176.2	0	0	0	112.3	A53 T144 K179 Y180 G185 L506	A53-L183 HydrophobicContact CB-CD1 4.46Å; T144-L183 HydrophobicContact CG2-CB 3.97Å; K179-L183 PolarHBondContact O-N 2.95Å; Y180-L183 HydrophobicContact CD1-CD1 4.21Å; Y180-L183 PolarHBondContact O-N 3.19Å; L183-G185 PolarHBondContact O-N 3.38Å; L183-L506 HydrophobicContact CD1-CD1 4.31Å; L183-L506 HydrophobicContact CD2-CD1 3.51Å; L183-L506 HydrophobicContact CD2-CG 3.95Å; L183-L506 WeakPolarHBondContact CD2-O 3.48Å; L183-L506 HydrophobicContact CG-CD1 3.78Å
184	G	97.8	Very high	96.9	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-7.8	177.9	0	0	0	0	0	114.5	A147 T148 Y180 A181 Y182 M514	A147-G184 CarbonylContact C-O 3.47Å; T148-G184 WeakPolarHBondContact CA-O 3.44Å; T148-G184 PolarHBondContact N-O 2.85Å; T148-G184 VanDerWaalsContact OG1-CA 3.31Å; T148-G184 WeakPolarHBondContact OG1-CA 3.5Å; T148-G184 PolarHBondContact OG1-O 2.88Å; Y180-G184 PolarHBondContact O-N 3.45Å; A181-G184 CarbonylContact O-C 3.49Å; A181-G184 PolarHBondContact O-N 2.89Å; Y182-G184 PolarHBondContact O-N 2.91Å; G184-M514 WeakPolarHBondContact O-CE 3.23Å
185	G	97.4	Very high	97	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	117.6	8.3	171.4	0	0	0	0	0	115.7	R151 A181 Y182 L183 R510 M514	R151-G185 PolarHBondContact NE-O 3.1Å; R151-G185 PolarHBondContact NH2-O 3.32Å; A181-G185 PolarHBondContact O-N 2.98Å; Y182-G185 PolarHBondContact O-N 3.19Å; L183-G185 PolarHBondContact O-N 3.38Å; G185-R510 PolarHBondContact O-NH2 2.72Å; G185-M514 VanDerWaalsContact CA-CE 3.44Å
186	Y	98.2	Very high	97.1	Very high	1 Å²	1	23 Å²	23	0%	0.004	12%	0.122	C	C	.	.			trans	-66.8	150.9	169.9	-80.4	-120.6	0	0	0	110.7	A147 Y150 L160 Y161 E162 A181 Y182 V393 L397 R510	A147-Y186 HydrophobicContact CB-CD2 3.88Å; A147-Y186 HydrophobicContact CB-CE2 3.86Å; Y150-Y186 WeakPolarHBondContact CB-OH 3.33Å; Y150-Y186 WeakPolarHBondContact CD1-OH 3.42Å; L160-Y186 HydrophobicContact CB-CD1 3.79Å; L160-Y186 HydrophobicContact CB-CD2 4.25Å; L160-Y186 HydrophobicContact CB-CE1 3.97Å; L160-Y186 HydrophobicContact CB-CE2 4.4Å; L160-Y186 HydrophobicContact CB-CG 3.93Å; L160-Y186 HydrophobicContact CD1-CD2 4.38Å; L160-Y186 HydrophobicContact CD1-CE2 4.11Å; L160-Y186 HydrophobicContact CD2-CE1 4.35Å; Y161-Y186 VanDerWaalsContact C-CD1 3.47Å; E162-Y186 HydrophobicContact CB-CD1 3.97Å; E162-Y186 HydrophobicContact CB-CE1 4.43Å; A181-Y186 HydrophobicContact CB-CD2 4.32Å; A181-Y186 HydrophobicContact CB-CG 4.19Å; A181-Y186 WeakPolarHBondContact O-CB 3.4Å; A181-Y186 WeakPolarHBondContact O-CD2 3.32Å; A181-Y186 PolarHBondContact O-N 3.2Å; Y182-Y186 WeakPolarHBondContact CD2-O 3.42Å; Y186-V393 HydrophobicContact CE1-CB 4.05Å; Y186-V393 HydrophobicContact CE1-CG2 4.25Å; Y186-V393 WeakPolarHBondContact OH-CB 3.45Å; Y186-V393 WeakPolarHBondContact OH-CG2 3.15Å; Y186-L397 HydrophobicContact CD1-CD2 4.05Å; Y186-L397 HydrophobicContact CE1-CD2 3.41Å; Y186-L397 VanDerWaalsContact CE1-CD2 3.41Å; Y186-L397 HydrophobicContact CE2-CD1 3.84Å; Y186-L397 HydrophobicContact CE2-CD2 3.96Å; Y186-R510 VanDerWaalsContact O-CZ 3.26Å; Y186-R510 PolarHBondContact O-NH2 2.87Å
187	D	98.1	Very high	97.1	Very high	24 Å²	24	25.7 Å²	25.7	13%	0.128	14%	0.136	C	C	.	.			trans	-95.2	-13.9	-174.6	-62.7	-66.7	0	0	0	113.8	R151 K159 L160 Y161 R510	R151-D187 IonicContact CZ-OD2 3.81Å; R151-D187 IonicContact NH2-OD1 2.72Å; R151-D187 IonicContact NH2-OD2 3.47Å; R151-D187 PolarHBondContact NH2-OD2 2.86Å; K159-D187 VanDerWaalsContact CA-OD2 3.24Å; K159-D187 WeakPolarHBondContact CA-OD2 3.27Å; K159-D187 HydrophobicContact CD-CB 3.89Å; K159-D187 VanDerWaalsContact CD-CG 3.41Å; K159-D187 VanDerWaalsContact CD-OD2 3.23Å; K159-D187 WeakPolarHBondContact CD-OD2 3.47Å; K159-D187 IonicContact NZ-OD1 3.45Å; L160-D187 PolarHBondContact N-OD2 2.88Å; L160-D187 PolarHBondContact O-N 2.68Å; Y161-D187 HydrophobicContact CD1-CB 4.25Å; Y161-D187 HydrophobicContact CE1-CB 3.87Å; D187-R510 IonicContact OD1-NH2 3.98Å; D187-R510 PolarHBondContact OD1-NH2 3.44Å
188	G	97.8	Very high	97	Very high	2 Å²	2	28.3 Å²	28.3	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.8	175.8	-179.2	0	0	0	0	0	112.6	Y161 E162 P201	Y161-G188 WeakPolarHBondContact CA-O 3.07Å; E162-G188 PolarHBondContact N-O 2.86Å; G188-P201 CarbonylContact C-O 3.48Å; G188-P201 WeakPolarHBondContact CA-O 3.48Å
189	T	98.2	Very high	96.9	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	153.1	-177.8	178.2	0	0	0	0	111.5	E162 S178 N191 I200 P201 V202 V203	E162-T189 WeakPolarHBondContact O-CA 3.16Å; E162-T189 PolarHBondContact O-OG1 3.22Å; E162-T189 PolarHBondContact OE2-OG1 2.94Å; S178-T189 PolarHBondContact OG-OG1 3.38Å; T189-N191 VanDerWaalsContact C-N 3.29Å; T189-N191 HydrophobicContact CG2-CB 4.35Å; T189-N191 WeakPolarHBondContact OG1-CB 3.35Å; T189-N191 PolarHBondContact OG1-N 2.61Å; T189-I200 HydrophobicContact CG2-CB 4.14Å; T189-I200 HydrophobicContact CG2-CG2 3.64Å; T189-P201 PolarHBondContact N-O 3.47Å; T189-V202 CarbonylContact O-C 3.27Å; T189-V202 VanDerWaalsContact O-CA 3.25Å; T189-V202 WeakPolarHBondContact O-CA 3.4Å; T189-V203 PolarHBondContact O-N 2.91Å
190	S	96.9	Very high	96.9	Very high	37 Å²	37	31 Å²	31	26%	0.259	18%	0.176	S	C	.	.	S	Bend	trans	-78.5	-13.6	165.6	62.2	0	0	0	0	113.5	E162 F163 V192 V203	E162-S190 PolarHBondContact O-N 3Å; E162-S190 PolarHBondContact O-OG 3.37Å; F163-S190 WeakPolarHBondContact CA-OG 3.37Å; S190-V192 PolarHBondContact O-N 2.9Å; S190-V203 VanDerWaalsContact CA-O 3.31Å; S190-V203 WeakPolarHBondContact CA-O 3.46Å
191	N	97	Very high	96.9	Very high	9 Å²	9	34 Å²	34	5%	0.048	20%	0.195	C	C	.	.			trans	-79.2	100.6	-177.4	-170.3	-22.1	0	0	0	111.2	L165 A174 S178 T189 L193 S194 G195	L165-N191 HydrophobicContact CD1-CB 3.84Å; A174-N191 PolarHBondContact O-ND2 3.19Å; S178-N191 WeakPolarHBondContact OG-CB 3.4Å; T189-N191 VanDerWaalsContact C-N 3.29Å; T189-N191 HydrophobicContact CG2-CB 4.35Å; T189-N191 WeakPolarHBondContact OG1-CB 3.35Å; T189-N191 PolarHBondContact OG1-N 2.61Å; N191-L193 VanDerWaalsContact C-N 3.28Å; N191-L193 PolarHBondContact O-N 3.11Å; N191-L193 PolarHBondContact OD1-N 3Å; N191-L193 VanDerWaalsContact OD1-N 3.13Å; N191-S194 WeakPolarHBondContact CB-OG 3.47Å; N191-S194 PolarHBondContact ND2-OG 3.17Å; N191-S194 WeakPolarHBondContact O-CB 3.39Å; N191-S194 PolarHBondContact O-N 2.66Å; N191-S194 PolarHBondContact OD1-N 3.28Å; N191-S194 PolarHBondContact OD1-OG 3.37Å; N191-G195 PolarHBondContact O-N 3.07Å
192	V	97.2	Very high	96.9	Very high	101 Å²	101	37.7 Å²	37.7	61%	0.612	22%	0.218	S	C	*	.	H	α-helix	trans	-60	-37.1	-178.9	-176.4	0	0	0	0	112.1	S190 G195 K196 V202	S190-V192 PolarHBondContact O-N 2.9Å; V192-G195 PolarHBondContact O-N 3.18Å; V192-K196 PolarHBondContact O-N 2.94Å; V192-V202 HydrophobicContact CG2-CG1 4.19Å
193	L	95.5	Very high	96.8	Very high	81 Å²	81	38.3 Å²	38.3	42%	0.424	22%	0.224	S	C	.	.	H	α-helix	trans	-68.3	-42	179.2	-175.2	60.9	0	0	0	111	F5 L175 N191 G195 K196 I197	F5-L193 HydrophobicContact CZ-CD2 4.41Å; L175-L193 HydrophobicContact CD1-CB 4.26Å; L175-L193 HydrophobicContact CD1-CD2 4.28Å; L175-L193 HydrophobicContact CD1-CG 3.96Å; L175-L193 HydrophobicContact CD2-CD2 4.24Å; N191-L193 VanDerWaalsContact C-N 3.28Å; N191-L193 PolarHBondContact O-N 3.11Å; N191-L193 PolarHBondContact OD1-N 3Å; N191-L193 VanDerWaalsContact OD1-N 3.13Å; L193-G195 VanDerWaalsContact C-N 3.32Å; L193-G195 PolarHBondContact O-N 3.26Å; L193-K196 PolarHBondContact O-N 3.15Å; L193-I197 HydrophobicContact CD1-CD1 3.66Å; L193-I197 HydrophobicContact CD1-CG1 4.13Å; L193-I197 HydrophobicContact CG-CD1 3.84Å; L193-I197 WeakPolarHBondContact O-CG1 3.34Å; L193-I197 PolarHBondContact O-N 3.36Å
194	S	95.2	Very high	96.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59.1	-44.7	171.8	-56.2	0	0	0	0	111.5	L175 S178 N191 K196 I197 Y198	L175-S194 VanDerWaalsContact CD1-OG 3.28Å; L175-S194 WeakPolarHBondContact CD1-OG 3.32Å; L175-S194 PolarHBondContact O-OG 3.23Å; S178-S194 VanDerWaalsContact CB-CB 3.42Å; S178-S194 WeakPolarHBondContact CB-OG 3.22Å; S178-S194 PolarHBondContact OG-OG 3.19Å; N191-S194 WeakPolarHBondContact CB-OG 3.47Å; N191-S194 PolarHBondContact ND2-OG 3.17Å; N191-S194 WeakPolarHBondContact O-CB 3.39Å; N191-S194 PolarHBondContact O-N 2.66Å; N191-S194 PolarHBondContact OD1-N 3.28Å; N191-S194 PolarHBondContact OD1-OG 3.37Å; S194-K196 VanDerWaalsContact C-N 3.33Å; S194-K196 PolarHBondContact O-N 3.14Å; S194-I197 PolarHBondContact O-N 3.2Å; S194-Y198 WeakPolarHBondContact O-CB 3.34Å; S194-Y198 WeakPolarHBondContact O-CD2 3.37Å; S194-Y198 PolarHBondContact O-N 2.88Å
195	G	96.6	Very high	96	Very high	11 Å²	11	42.1 Å²	42.1	11%	0.113	26%	0.257	C	S	.	.	H	α-helix	trans	-59.3	-43.2	176.7	0	0	0	0	0	112.7	N191 V192 L193 G199 I200	N191-G195 PolarHBondContact O-N 3.07Å; V192-G195 PolarHBondContact O-N 3.18Å; L193-G195 VanDerWaalsContact C-N 3.32Å; L193-G195 PolarHBondContact O-N 3.26Å; G195-G199 VanDerWaalsContact O-CA 3.25Å; G195-G199 WeakPolarHBondContact O-CA 3.15Å; G195-G199 PolarHBondContact O-N 3.47Å; G195-I200 WeakPolarHBondContact CA-O 3.06Å; G195-I200 PolarHBondContact O-N 3.26Å
196	K	96.1	Very high	95.9	Very high	177 Å²	177	42.5 Å²	42.5	77%	0.77	26%	0.259	S	S	*	.	H	α-helix	trans	-65.2	-46.1	177.4	179	-179.8	176.7	-178.8	0	113	V192 L193 S194	V192-K196 PolarHBondContact O-N 2.94Å; L193-K196 PolarHBondContact O-N 3.15Å; S194-K196 VanDerWaalsContact C-N 3.33Å; S194-K196 PolarHBondContact O-N 3.14Å
197	I	92.9	Very high	95.7	Very high	59 Å²	59	44.8 Å²	44.8	30%	0.303	28%	0.277	S	S	.	.	H	α-helix	trans	-80.5	-39.4	-171.2	-67.7	177.4	0	0	0	111.5	F5 L175 L193 S194	F5-I197 HydrophobicContact CE1-CD1 3.91Å; F5-I197 HydrophobicContact CZ-CD1 3.41Å; F5-I197 VanDerWaalsContact CZ-CD1 3.41Å; L175-I197 HydrophobicContact CD2-CD1 4.47Å; L193-I197 HydrophobicContact CD1-CD1 3.66Å; L193-I197 HydrophobicContact CD1-CG1 4.13Å; L193-I197 HydrophobicContact CG-CD1 3.84Å; L193-I197 WeakPolarHBondContact O-CG1 3.34Å; L193-I197 PolarHBondContact O-N 3.36Å; S194-I197 PolarHBondContact O-N 3.2Å
198	Y	94.4	Very high	95.6	Very high	55 Å²	55	46.5 Å²	46.5	22%	0.216	29%	0.285	C	S	.	.	H	α-helix	trans	-104.8	-2.7	-172.9	-55	-56.5	0	0	0	113.7	L175 K179 S194 I200	L175-Y198 HydrophobicContact CD1-CE2 3.81Å; L175-Y198 HydrophobicContact CG-CE2 4.03Å; K179-Y198 HydrophobicContact CB-CD2 3.86Å; K179-Y198 HydrophobicContact CB-CE2 3.76Å; K179-Y198 HydrophobicContact CB-CG 4.33Å; K179-Y198 HydrophobicContact CD-CD1 4.26Å; K179-Y198 HydrophobicContact CD-CE1 3.83Å; K179-Y198 HydrophobicContact CD-CE2 4.36Å; K179-Y198 HydrophobicContact CG-CD1 4.34Å; K179-Y198 HydrophobicContact CG-CD2 4.37Å; K179-Y198 HydrophobicContact CG-CE1 4.34Å; K179-Y198 HydrophobicContact CG-CE2 4.36Å; K179-Y198 HydrophobicContact CG-CG 4.36Å; S194-Y198 WeakPolarHBondContact O-CB 3.34Å; S194-Y198 WeakPolarHBondContact O-CD2 3.37Å; S194-Y198 PolarHBondContact O-N 2.88Å; Y198-I200 VanDerWaalsContact C-N 3.29Å; Y198-I200 HydrophobicContact CD2-CD1 4.23Å; Y198-I200 HydrophobicContact CG-CD1 4.44Å; Y198-I200 PolarHBondContact O-N 3.27Å
199	G	96	Very high	95.5	Very high	64 Å²	64	50.7 Å²	50.7	66%	0.66	31%	0.313	S	S	*	.			trans	71.7	21.7	-177.8	0	0	0	0	0	113.8	G195	G195-G199 VanDerWaalsContact O-CA 3.25Å; G195-G199 WeakPolarHBondContact O-CA 3.15Å; G195-G199 PolarHBondContact O-N 3.47Å
200	I	97.6	Very high	95.4	Very high	5 Å²	5	53.6 Å²	53.6	3%	0.026	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-78.7	134.6	-178.1	-59.9	166.2	0	0	0	109.6	Y182 T189 G195 Y198 V202 L506	Y182-I200 HydrophobicContact CD1-CG1 4.26Å; Y182-I200 HydrophobicContact CD2-CB 4.46Å; Y182-I200 HydrophobicContact CD2-CG1 4.23Å; Y182-I200 HydrophobicContact CD2-CG2 3.59Å; Y182-I200 HydrophobicContact CE2-CG2 4.05Å; Y182-I200 HydrophobicContact CG-CD1 4.23Å; Y182-I200 HydrophobicContact CG-CG1 3.95Å; Y182-I200 HydrophobicContact CG-CG2 4.12Å; T189-I200 HydrophobicContact CG2-CB 4.14Å; T189-I200 HydrophobicContact CG2-CG2 3.64Å; G195-I200 WeakPolarHBondContact CA-O 3.06Å; G195-I200 PolarHBondContact O-N 3.26Å; Y198-I200 VanDerWaalsContact C-N 3.29Å; Y198-I200 HydrophobicContact CD2-CD1 4.23Å; Y198-I200 HydrophobicContact CG-CD1 4.44Å; Y198-I200 PolarHBondContact O-N 3.27Å; I200-V202 PolarHBondContact O-N 3.32Å; I200-L506 HydrophobicContact CD1-CD2 4.12Å; I200-L506 HydrophobicContact CG1-CD2 3.75Å
201	P	98	Very high	95.4	Very high	65 Å²	65	51.8 Å²	51.8	42%	0.422	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-55.3	128.6	174.1	-26.6	35.5	0	0	0	112.4	G188 T189	G188-P201 CarbonylContact C-O 3.48Å; G188-P201 WeakPolarHBondContact CA-O 3.48Å; T189-P201 PolarHBondContact N-O 3.47Å
202	V	97.6	Very high	95.2	Very high	78 Å²	78	53.6 Å²	53.6	47%	0.473	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-93.5	132.2	179.5	-178.8	0	0	0	0	110.4	T189 V192 I200	T189-V202 CarbonylContact O-C 3.27Å; T189-V202 VanDerWaalsContact O-CA 3.25Å; T189-V202 WeakPolarHBondContact O-CA 3.4Å; V192-V202 HydrophobicContact CG2-CG1 4.19Å; I200-V202 PolarHBondContact O-N 3.32Å
203	V	95.2	Very high	95.1	Very high	33 Å²	33	52.5 Å²	52.5	20%	0.2	33%	0.329	C	S	.	.			trans	-131.4	138.9	-179.5	-175.3	0	0	0	0	109.7	Y161 F163 T189 S190	Y161-V203 HydrophobicContact CD1-CB 4.41Å; Y161-V203 HydrophobicContact CD1-CG2 3.87Å; Y161-V203 HydrophobicContact CD2-CG1 4.01Å; Y161-V203 HydrophobicContact CE1-CG2 3.77Å; Y161-V203 HydrophobicContact CE2-CG1 4.06Å; Y161-V203 HydrophobicContact CG-CB 4.37Å; Y161-V203 HydrophobicContact CG-CG1 4.32Å; Y161-V203 HydrophobicContact CG-CG2 4.31Å; F163-V203 HydrophobicContact CE1-CB 4.45Å; F163-V203 HydrophobicContact CZ-CG1 4.44Å; T189-V203 PolarHBondContact O-N 2.91Å; S190-V203 VanDerWaalsContact CA-O 3.31Å; S190-V203 WeakPolarHBondContact CA-O 3.46Å
204	G	91.9	Very high	94.8	Very high	50 Å²	50	51.1 Å²	51.1	52%	0.515	32%	0.319	S	S	.	.			trans	-158.3	168.2	179.1	0	0	0	0	0	112.7
205	T	88.8	Confident	94.2	Very high	32 Å²	32	55.8 Å²	55.8	20%	0.196	34%	0.341	C	S	.	.			trans	-134.3	170.1	175.6	72.8	0	0	0	0	109	L299 R333	T205-L299 HydrophobicContact CG2-CD1 4.44Å; T205-L299 HydrophobicContact CG2-CD2 3.62Å; T205-R333 HydrophobicContact CG2-CB 4.28Å; T205-R333 PolarHBondContact OG1-NH1 3.44Å
206	H	94.5	Very high	92.7	Very high	8 Å²	8	58 Å²	58	4%	0.037	36%	0.355	C	S	.	.			trans	-70.6	168.8	161.7	68.7	80.5	0	0	0	110.7	F210 F287 Y290 L299 L301	H206-F210 HydrophobicContact CB-CB 4.37Å; H206-F210 HydrophobicContact CB-CD1 4.18Å; H206-F210 HydrophobicContact CB-CG 4.37Å; H206-F287 AromaticContact CE1-CE1 3.54Å; H206-F287 AromaticContact NE2-CD1 3.79Å; H206-F287 AromaticContact NE2-CE1 3.59Å; H206-Y290 HydrophobicContact CB-CD2 3.75Å; H206-Y290 HydrophobicContact CB-CE2 3.47Å; H206-Y290 VanDerWaalsContact CB-CE2 3.47Å; H206-Y290 HydrophobicContact CB-CG 4.43Å; H206-L299 PolarHBondContact CD2-O 3.39Å; H206-L301 VanDerWaalsContact CE1-CB 3.45Å; H206-L301 WeakPolarHBondContact CE1-CB 3.45Å; H206-L301 PolarHBondContact CE1-N 2.91Å; H206-L301 VanDerWaalsContact CE1-N 3.33Å; H206-L301 PolarHBondContact NE2-N 2.99Å
207	A	94.9	Very high	90.8	Very high	48 Å²	48	53.9 Å²	53.9	40%	0.397	35%	0.349	S	S	.	.			trans	-110.6	166.9	-180	0	0	0	0	0	111.4	S209 F210	A207-S209 VanDerWaalsContact C-N 3.25Å; A207-S209 PolarHBondContact O-N 3.07Å; A207-F210 WeakPolarHBondContact O-CB 3.45Å; A207-F210 PolarHBondContact O-N 3.29Å; A207-F210 VanDerWaalsContact O-N 3.13Å
208	H	95.6	Very high	88.9	Confident	60 Å²	60	56.7 Å²	56.7	28%	0.278	36%	0.36	S	S	.	.	H	α-helix	trans	-56.9	-39.4	173.1	-61.8	-65.5	0	0	0	112.5	F210 V211 S212 D303 T304 D335	H208-F210 PolarHBondContact O-N 2.94Å; H208-V211 CarbonylContact O-C 3.59Å; H208-V211 WeakPolarHBondContact O-CA 3.25Å; H208-V211 WeakPolarHBondContact O-CB 3.28Å; H208-V211 PolarHBondContact O-N 3.44Å; H208-S212 PolarHBondContact O-N 2.91Å; H208-S212 PolarHBondContact O-OG 3.28Å; H208-D303 IonicContact CE1-OD1 2.7Å; H208-D303 PolarHBondContact CE1-OD1 2.92Å; H208-D303 VanDerWaalsContact CE1-OD1 3.28Å; H208-D303 IonicContact NE2-OD1 3.09Å; H208-T304 HydrophobicContact CB-CG2 4.28Å; H208-T304 WeakPolarHBondContact ND1-CA 3.43Å; H208-T304 PolarHBondContact ND1-OG1 3.26Å; H208-D335 IonicContact NE2-OD2 2.71Å
209	S	95.6	Very high	86.7	Confident	90 Å²	90	62.2 Å²	62.2	63%	0.629	39%	0.388	S	S	*	.	H	α-helix	trans	-59.6	-31.6	178.4	55.5	0	0	0	0	113.1	A207 A213	A207-S209 VanDerWaalsContact C-N 3.25Å; A207-S209 PolarHBondContact O-N 3.07Å; S209-A213 WeakPolarHBondContact O-CB 3.18Å; S209-A213 PolarHBondContact O-N 3.32Å
210	F	96.5	Very high	84.3	Confident	62 Å²	62	66.7 Å²	66.7	27%	0.272	39%	0.391	S	S	.	.	H	α-helix	trans	-65.2	-46	173.2	176.9	-94.2	0	0	0	110.4	H206 A207 H208 A213 F214 A286 Y290	H206-F210 HydrophobicContact CB-CB 4.37Å; H206-F210 HydrophobicContact CB-CD1 4.18Å; H206-F210 HydrophobicContact CB-CG 4.37Å; A207-F210 WeakPolarHBondContact O-CB 3.45Å; A207-F210 PolarHBondContact O-N 3.29Å; A207-F210 VanDerWaalsContact O-N 3.13Å; H208-F210 PolarHBondContact O-N 2.94Å; F210-A213 WeakPolarHBondContact O-CB 3.12Å; F210-A213 PolarHBondContact O-N 3.01Å; F210-F214 HydrophobicContact CD1-CE2 4.32Å; F210-F214 HydrophobicContact CD2-CE2 4.26Å; F210-F214 AromaticContact CE1-CE2 3.84Å; F210-F214 HydrophobicContact CE1-CE2 3.84Å; F210-F214 AromaticContact CE2-CE2 3.78Å; F210-F214 HydrophobicContact CE2-CE2 3.78Å; F210-F214 HydrophobicContact CE2-CZ 4.25Å; F210-F214 AromaticContact CZ-CE2 3.54Å; F210-F214 HydrophobicContact CZ-CE2 3.54Å; F210-F214 AromaticContact CZ-CZ 3.94Å; F210-F214 HydrophobicContact CZ-CZ 3.94Å; F210-F214 WeakPolarHBondContact O-CD2 3.15Å; F210-A286 HydrophobicContact CD1-CB 4.22Å; F210-A286 HydrophobicContact CE1-CB 3.95Å; F210-A286 VanDerWaalsContact CE1-O 3.26Å; F210-A286 WeakPolarHBondContact CE1-O 3.34Å; F210-Y290 HydrophobicContact CD1-CD2 4.17Å; F210-Y290 AromaticContact CE1-CD2 3.75Å; F210-Y290 HydrophobicContact CE1-CD2 3.75Å; F210-Y290 HydrophobicContact CE1-CG 4.2Å; F210-Y290 HydrophobicContact CE2-CD2 4.16Å; F210-Y290 AromaticContact CZ-CD2 3.75Å; F210-Y290 HydrophobicContact CZ-CD2 3.75Å; F210-Y290 HydrophobicContact CZ-CG 4.34Å
211	V	95.9	Very high	81.9	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	42%	0.418	C	S	.	.	H	α-helix	trans	-64.9	-43.6	177.4	175.6	0	0	0	0	111.6	H208 A213 F214 E283 A286 F287 T304 Y305	H208-V211 CarbonylContact O-C 3.59Å; H208-V211 WeakPolarHBondContact O-CA 3.25Å; H208-V211 WeakPolarHBondContact O-CB 3.28Å; H208-V211 PolarHBondContact O-N 3.44Å; V211-A213 PolarHBondContact O-N 3.37Å; V211-F214 PolarHBondContact O-N 3.48Å; V211-E283 HydrophobicContact CG1-CB 3.93Å; V211-E283 HydrophobicContact CG1-CG 3.81Å; V211-A286 HydrophobicContact CB-CB 4.27Å; V211-A286 HydrophobicContact CG1-CB 4.35Å; V211-A286 HydrophobicContact CG2-CB 4.15Å; V211-F287 HydrophobicContact CG2-CD1 4.42Å; V211-F287 HydrophobicContact CG2-CE1 3.95Å; V211-T304 HydrophobicContact CB-CG2 3.87Å; V211-T304 HydrophobicContact CG1-CG2 3.63Å; V211-Y305 HydrophobicContact CG1-CD2 4.5Å; V211-Y305 HydrophobicContact CG1-CE2 3.73Å
212	S	93.9	Very high	79.4	Confident	46 Å²	46	70.8 Å²	70.8	32%	0.322	41%	0.408	S	S	.	.	H	α-helix	trans	-65.9	-25.4	178.2	-56.6	0	0	0	0	113.2	H208 F214 Q215	H208-S212 PolarHBondContact O-N 2.91Å; H208-S212 PolarHBondContact O-OG 3.28Å; S212-F214 PolarHBondContact O-N 2.95Å; S212-Q215 VanDerWaalsContact O-CB 3.26Å; S212-Q215 WeakPolarHBondContact O-CB 3.38Å; S212-Q215 VanDerWaalsContact O-CG 3.3Å; S212-Q215 WeakPolarHBondContact O-CG 3.43Å; S212-Q215 PolarHBondContact O-N 2.92Å
213	A	93.2	Very high	76.9	Confident	79 Å²	79	71.8 Å²	71.8	65%	0.653	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-14.1	175.8	0	0	0	0	0	113.6	S209 F210 V211	S209-A213 WeakPolarHBondContact O-CB 3.18Å; S209-A213 PolarHBondContact O-N 3.32Å; F210-A213 WeakPolarHBondContact O-CB 3.12Å; F210-A213 PolarHBondContact O-N 3.01Å; V211-A213 PolarHBondContact O-N 3.37Å
214	F	90.7	Very high	74.8	Confident	52 Å²	52	75.4 Å²	75.4	23%	0.228	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	13.7	172.7	-65.3	-96.8	0	0	0	112.3	F210 V211 S212 G282 N285 A286 N289	F210-F214 HydrophobicContact CD1-CE2 4.32Å; F210-F214 HydrophobicContact CD2-CE2 4.26Å; F210-F214 AromaticContact CE1-CE2 3.84Å; F210-F214 HydrophobicContact CE1-CE2 3.84Å; F210-F214 AromaticContact CE2-CE2 3.78Å; F210-F214 HydrophobicContact CE2-CE2 3.78Å; F210-F214 HydrophobicContact CE2-CZ 4.25Å; F210-F214 AromaticContact CZ-CE2 3.54Å; F210-F214 HydrophobicContact CZ-CE2 3.54Å; F210-F214 AromaticContact CZ-CZ 3.94Å; F210-F214 HydrophobicContact CZ-CZ 3.94Å; F210-F214 WeakPolarHBondContact O-CD2 3.15Å; V211-F214 PolarHBondContact O-N 3.48Å; S212-F214 PolarHBondContact O-N 2.95Å; F214-G282 VanDerWaalsContact CB-O 3.28Å; F214-G282 WeakPolarHBondContact CB-O 3.43Å; F214-G282 VanDerWaalsContact O-CA 3.22Å; F214-G282 WeakPolarHBondContact O-CA 3.34Å; F214-N285 HydrophobicContact CD1-CB 4.31Å; F214-A286 HydrophobicContact CB-CB 4.14Å; F214-A286 HydrophobicContact CD2-CB 3.44Å; F214-A286 VanDerWaalsContact CD2-CB 3.44Å; F214-A286 HydrophobicContact CE2-CB 4Å; F214-A286 HydrophobicContact CG-CB 3.87Å; F214-N289 HydrophobicContact CE1-CB 3.91Å; F214-N289 WeakPolarHBondContact CE1-ND2 3.27Å; F214-N289 HydrophobicContact CZ-CB 3.73Å
215	Q	82	Confident	73.1	Confident	98 Å²	98	78.1 Å²	78.1	46%	0.458	43%	0.431	S	S	.	.	S	Bend	trans	-71.4	129.9	164.6	-69.3	177.5	-2.5	0	0	109.1	S212 Y305	S212-Q215 VanDerWaalsContact O-CB 3.26Å; S212-Q215 WeakPolarHBondContact O-CB 3.38Å; S212-Q215 VanDerWaalsContact O-CG 3.3Å; S212-Q215 WeakPolarHBondContact O-CG 3.43Å; S212-Q215 PolarHBondContact O-N 2.92Å; Q215-Y305 VanDerWaalsContact CD-OH 3.31Å; Q215-Y305 WeakPolarHBondContact CG-OH 3.12Å; Q215-Y305 VanDerWaalsContact NE2-CE1 3.29Å; Q215-Y305 PolarHBondContact NE2-OH 3.42Å
216	S	65	Low	71.8	Confident	56 Å²	56	78.9 Å²	78.9	39%	0.392	43%	0.431	S	S	.	.			trans	-74.4	134.3	176.2	46.1	0	0	0	0	110.7	H218	S216-H218 VanDerWaalsContact C-N 3.27Å
217	S	57.4	Low	70.3	Confident	92 Å²	92	79.3 Å²	79.3	64%	0.643	44%	0.438	S	S	*	.	S	Bend	trans	-73	-20.1	171.3	38.9	0	0	0	0	112.6
218	H	51.9	Low	69.2	Low	118 Å²	118	81.7 Å²	81.7	55%	0.546	44%	0.439	S	S	.	.			trans	-141.4	130.4	-178.3	-64.3	-67.7	0	0	0	111.5	S216 E220 E221	S216-H218 VanDerWaalsContact C-N 3.27Å; H218-E220 PolarHBondContact O-N 3.22Å; H218-E220 VanDerWaalsContact O-N 3.14Å; H218-E221 PolarHBondContact O-N 3.5Å
219	E	48.4	Very low	68	Low	171 Å²	171	79.5 Å²	79.5	80%	0.799	43%	0.429	S	S	*	.	H	α-helix	trans	-55.1	-27	173.3	-71.9	179.4	151.7	0	0	112.4	C222 I223	E219-C222 WeakPolarHBondContact O-CB 3.39Å; E219-C222 PolarHBondContact O-N 2.7Å; E219-I223 PolarHBondContact O-N 3.32Å
220	E	44.7	Very low	66.7	Low	157 Å²	157	79.1 Å²	79.1	73%	0.734	42%	0.416	S	S	*	.	H	α-helix	trans	-69.8	-38	-178.7	-69.5	-177.2	161.2	0	0	114	H218 C222 I223	H218-E220 PolarHBondContact O-N 3.22Å; H218-E220 VanDerWaalsContact O-N 3.14Å; E220-C222 VanDerWaalsContact C-N 3.28Å; E220-C222 PolarHBondContact O-N 3.3Å; E220-I223 PolarHBondContact O-N 2.93Å
221	E	48.3	Very low	65.4	Low	123 Å²	123	83 Å²	83	58%	0.575	43%	0.429	S	S	*	.	H	α-helix	trans	-70.4	-30.4	174.1	-75.6	-178.5	165.6	0	0	111.4	H218 I223 N224 D225	H218-E221 PolarHBondContact O-N 3.5Å; E221-I223 PolarHBondContact O-N 2.9Å; E221-N224 PolarHBondContact O-N 3.34Å; E221-D225 PolarHBondContact O-N 3Å
222	C	44.8	Very low	64.2	Low	34 Å²	34	85.8 Å²	85.8	23%	0.23	44%	0.442	C	S	.	.	H	α-helix	trans	-57.9	-35.1	174	-133.3	0	0	0	0	111.6	E219 E220 F226 G227	E219-C222 WeakPolarHBondContact O-CB 3.39Å; E219-C222 PolarHBondContact O-N 2.7Å; E220-C222 VanDerWaalsContact C-N 3.28Å; E220-C222 PolarHBondContact O-N 3.3Å; C222-F226 HydrophobicContact CB-CD2 4.49Å; C222-G227 PolarHBondContact O-N 3.44Å
223	I	46.5	Very low	62.9	Low	99 Å²	99	83.6 Å²	83.6	51%	0.508	43%	0.427	S	S	.	.	H	α-helix	trans	-72.1	-31.5	178.5	-64.8	170.8	0	0	0	111.4	E219 E220 E221 G227 R231	E219-I223 PolarHBondContact O-N 3.32Å; E220-I223 PolarHBondContact O-N 2.93Å; E221-I223 PolarHBondContact O-N 2.9Å; I223-G227 WeakPolarHBondContact O-CA 3.23Å; I223-R231 PolarHBondContact O-NH2 3.01Å
224	N	50.5	Low	61.7	Low	109 Å²	109	82.2 Å²	82.2	58%	0.583	42%	0.416	S	S	*	.	H	α-helix	trans	-83.3	-50.5	-170.1	-74.7	-17.4	0	0	0	113.4	E221 K228	E221-N224 PolarHBondContact O-N 3.34Å; N224-K228 WeakPolarHBondContact O-CB 3.08Å
225	D	56.4	Low	60.4	Low	107 Å²	107	85.5 Å²	85.5	57%	0.572	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-53.8	-179.2	-77.2	-14.3	0	0	0	112.4	E221 K228 F229	E221-D225 PolarHBondContact O-N 3Å; D225-K228 WeakPolarHBondContact O-CB 3.48Å; D225-K228 PolarHBondContact O-N 3.27Å; D225-F229 WeakPolarHBondContact O-CD2 3.34Å; D225-F229 PolarHBondContact O-N 3.16Å
226	F	61.3	Low	59.5	Low	47 Å²	47	85.7 Å²	85.7	21%	0.206	44%	0.439	C	S	.	.	H	α-helix	trans	-69.7	-42.4	-179.5	-51.6	-44.5	0	0	0	111.7	C222 K228 F229 K230 W262 N285	C222-F226 HydrophobicContact CB-CD2 4.49Å; F226-K228 PolarHBondContact O-N 2.61Å; F226-F229 PolarHBondContact O-N 2.93Å; F226-K230 VanDerWaalsContact O-CB 3.26Å; F226-K230 WeakPolarHBondContact O-CB 3.36Å; F226-K230 PolarHBondContact O-N 2.75Å; F226-W262 HydrophobicContact CB-CZ2 4.45Å; F226-N285 WeakPolarHBondContact CD1-ND2 3.46Å; F226-N285 HydrophobicContact CE1-CB 4.13Å; F226-N285 WeakPolarHBondContact CE1-ND2 3.38Å; F226-N285 WeakPolarHBondContact CG-ND2 3.2Å; F226-N285 VanDerWaalsContact CZ-ND2 3.33Å; F226-N285 WeakPolarHBondContact CZ-ND2 3.24Å
227	G	63.7	Low	59.3	Low	17 Å²	17	83.8 Å²	83.8	18%	0.175	43%	0.425	C	S	.	.	H	α-helix	trans	-63.2	-28.1	175.6	0	0	0	0	0	112.5	C222 I223 R231	C222-G227 PolarHBondContact O-N 3.44Å; I223-G227 WeakPolarHBondContact O-CA 3.23Å; G227-R231 WeakPolarHBondContact O-CB 3.46Å; G227-R231 WeakPolarHBondContact O-CG 3.39Å; G227-R231 PolarHBondContact O-N 3.2Å; G227-R231 PolarHBondContact O-NE 2.66Å
228	K	71.2	Confident	59.4	Low	98 Å²	98	85.9 Å²	85.9	43%	0.426	43%	0.429	S	S	.	.	H	α-helix	trans	-69.1	-54.4	172.9	175.1	-176.1	176.9	-173	0	111.2	N224 D225 F226 K230 R231 E232	N224-K228 WeakPolarHBondContact O-CB 3.08Å; D225-K228 WeakPolarHBondContact O-CB 3.48Å; D225-K228 PolarHBondContact O-N 3.27Å; F226-K228 PolarHBondContact O-N 2.61Å; K228-K230 VanDerWaalsContact C-N 3.32Å; K228-K230 PolarHBondContact O-N 3.37Å; K228-R231 PolarHBondContact O-N 3.31Å; K228-R231 VanDerWaalsContact O-N 3.17Å; K228-E232 WeakPolarHBondContact CE-OE1 3.25Å; K228-E232 HydrophobicContact CG-CG 4.48Å; K228-E232 WeakPolarHBondContact CG-OE1 3.5Å; K228-E232 WeakPolarHBondContact O-CG 3.24Å; K228-E232 PolarHBondContact O-N 2.59Å
229	F	70.5	Confident	59.5	Low	15 Å²	15	83.2 Å²	83.2	7%	0.066	42%	0.423	C	S	.	.	H	α-helix	trans	-64.7	-37.3	-179.8	-61.7	-57.7	0	0	0	112.5	D225 F226 A233 D255 L258 K259 W262	D225-F229 WeakPolarHBondContact O-CD2 3.34Å; D225-F229 PolarHBondContact O-N 3.16Å; F226-F229 PolarHBondContact O-N 2.93Å; F229-A233 WeakPolarHBondContact O-CB 3.45Å; F229-A233 PolarHBondContact O-N 3.41Å; F229-D255 HydrophobicContact CE1-CB 4.19Å; F229-D255 HydrophobicContact CZ-CB 4.02Å; F229-L258 HydrophobicContact CD2-CB 4.31Å; F229-L258 HydrophobicContact CD2-CD1 4.43Å; F229-L258 HydrophobicContact CE2-CB 4.48Å; F229-L258 HydrophobicContact CE2-CD1 4.1Å; F229-L258 HydrophobicContact CG-CB 4.49Å; F229-K259 HydrophobicContact CD1-CD 4.22Å; F229-K259 HydrophobicContact CD1-CG 3.39Å; F229-K259 HydrophobicContact CE1-CD 4.38Å; F229-K259 HydrophobicContact CE1-CG 3.9Å; F229-K259 HydrophobicContact CG-CG 4.35Å; F229-W262 HydrophobicContact CB-CG 4.32Å
230	K	69	Low	59.8	Low	81 Å²	81	85.8 Å²	85.8	35%	0.352	43%	0.427	S	S	.	.	H	α-helix	trans	-62.3	-41	173.1	-172.6	176	-178.6	175.5	0	112	F226 K228 A234 W262	F226-K230 VanDerWaalsContact O-CB 3.26Å; F226-K230 WeakPolarHBondContact O-CB 3.36Å; F226-K230 PolarHBondContact O-N 2.75Å; K228-K230 VanDerWaalsContact C-N 3.32Å; K228-K230 PolarHBondContact O-N 3.37Å; K230-A234 PolarHBondContact O-N 3.11Å; K230-W262 HydrophobicContact CB-CD2 4.07Å; K230-W262 HydrophobicContact CB-CE3 3.92Å; K230-W262 HydrophobicContact CB-CZ3 4.25Å; K230-W262 HydrophobicContact CD-CE3 4.17Å; K230-W262 HydrophobicContact CD-CH2 4.24Å; K230-W262 HydrophobicContact CD-CZ3 3.75Å; K230-W262 HydrophobicContact CG-CD2 4.49Å; K230-W262 HydrophobicContact CG-CE3 3.84Å; K230-W262 HydrophobicContact CG-CZ3 3.96Å
231	R	69.3	Low	60.6	Low	144 Å²	144	83 Å²	83	54%	0.543	42%	0.417	S	S	.	.	H	α-helix	trans	-66.9	-49.5	175.4	-81	-179.7	-82	-171	-3.8	112.1	I223 G227 K228 A233 A234 D235	I223-R231 PolarHBondContact O-NH2 3.01Å; G227-R231 WeakPolarHBondContact O-CB 3.46Å; G227-R231 WeakPolarHBondContact O-CG 3.39Å; G227-R231 PolarHBondContact O-N 3.2Å; G227-R231 PolarHBondContact O-NE 2.66Å; K228-R231 PolarHBondContact O-N 3.31Å; K228-R231 VanDerWaalsContact O-N 3.17Å; R231-A233 VanDerWaalsContact C-N 3.26Å; R231-A233 PolarHBondContact O-N 3.46Å; R231-A234 WeakPolarHBondContact O-CB 3.42Å; R231-A234 PolarHBondContact O-N 2.88Å; R231-D235 PolarHBondContact O-N 2.94Å; R231-D235 VanDerWaalsContact O-N 3.1Å
232	E	69.3	Low	61.8	Low	58 Å²	58	78.4 Å²	78.4	27%	0.271	40%	0.397	S	S	.	.	H	α-helix	trans	-59.4	-37.6	177.4	-70.5	178.8	-173.4	0	0	112	K228 D235 L236 K259	K228-E232 WeakPolarHBondContact CE-OE1 3.25Å; K228-E232 HydrophobicContact CG-CG 4.48Å; K228-E232 WeakPolarHBondContact CG-OE1 3.5Å; K228-E232 WeakPolarHBondContact O-CG 3.24Å; K228-E232 PolarHBondContact O-N 2.59Å; E232-D235 PolarHBondContact O-N 2.78Å; E232-L236 WeakPolarHBondContact O-CG 3.47Å; E232-L236 PolarHBondContact O-N 3.34Å; E232-K259 IonicContact OE1-NZ 3.84Å; E232-K259 WeakPolarHBondContact OE2-CD 3.42Å; E232-K259 WeakPolarHBondContact OE2-CE 3.42Å; E232-K259 IonicContact OE2-NZ 2.68Å; E232-K259 PolarHBondContact OE2-NZ 3.47Å
233	A	67.3	Low	63.5	Low	1 Å²	1	81.9 Å²	81.9	1%	0.008	41%	0.409	C	S	.	.	H	α-helix	trans	-68.6	-34.6	174.4	0	0	0	0	0	113.3	F229 R231 L236 N237 W262	F229-A233 WeakPolarHBondContact O-CB 3.45Å; F229-A233 PolarHBondContact O-N 3.41Å; R231-A233 VanDerWaalsContact C-N 3.26Å; R231-A233 PolarHBondContact O-N 3.46Å; A233-L236 PolarHBondContact O-N 2.82Å; A233-N237 PolarHBondContact O-N 2.79Å; A233-W262 HydrophobicContact CB-CB 3.77Å
234	A	67.4	Low	65.5	Low	50 Å²	50	79.9 Å²	79.9	41%	0.413	40%	0.399	S	S	.	.	H	α-helix	trans	-65.6	-39.2	175.4	0	0	0	0	0	111.5	K230 R231 L236 N237	K230-A234 PolarHBondContact O-N 3.11Å; R231-A234 WeakPolarHBondContact O-CB 3.42Å; R231-A234 PolarHBondContact O-N 2.88Å; A234-L236 VanDerWaalsContact C-N 3.3Å; A234-L236 PolarHBondContact O-N 3.24Å; A234-N237 PolarHBondContact O-N 3.41Å
235	D	64.6	Low	67.4	Low	120 Å²	120	78.2 Å²	78.2	64%	0.642	39%	0.39	S	S	*	.	H	α-helix	trans	-64.2	-34.9	177.1	-68.2	-25.7	0	0	0	112.4	R231 E232 N238	R231-D235 PolarHBondContact O-N 2.94Å; R231-D235 VanDerWaalsContact O-N 3.1Å; E232-D235 PolarHBondContact O-N 2.78Å; D235-N238 PolarHBondContact O-ND2 3.07Å
236	L	63.1	Low	69.1	Low	102 Å²	102	78.8 Å²	78.8	53%	0.534	39%	0.393	S	S	.	.	H	α-helix	trans	-72.3	-26.4	175.9	-70.9	167.3	0	0	0	113.3	E232 A233 A234 N238 Y263	E232-L236 WeakPolarHBondContact O-CG 3.47Å; E232-L236 PolarHBondContact O-N 3.34Å; A233-L236 PolarHBondContact O-N 2.82Å; A234-L236 VanDerWaalsContact C-N 3.3Å; A234-L236 PolarHBondContact O-N 3.24Å; L236-N238 VanDerWaalsContact C-N 3.32Å; L236-N238 PolarHBondContact O-N 2.94Å; L236-Y263 HydrophobicContact CB-CD2 4.13Å; L236-Y263 HydrophobicContact CB-CE2 4.46Å
237	N	61.1	Low	70.6	Confident	17 Å²	17	77.5 Å²	77.5	9%	0.091	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	4.5	-174.3	-100.1	-40.1	0	0	0	115.1	A233 A234 S239 Y263 S266 S267	A233-N237 PolarHBondContact O-N 2.79Å; A234-N237 PolarHBondContact O-N 3.41Å; N237-S239 PolarHBondContact O-N 3.05Å; N237-Y263 PolarHBondContact ND2-O 3.37Å; N237-Y263 VanDerWaalsContact OD1-CE2 3.24Å; N237-Y263 WeakPolarHBondContact OD1-CE2 3.33Å; N237-S266 WeakPolarHBondContact ND2-CB 3.46Å; N237-S267 PolarHBondContact OD1-OG 2.8Å; N237-S267 VanDerWaalsContact OD1-OG 3.1Å
238	N	57.8	Low	71.8	Confident	136 Å²	136	81 Å²	81	73%	0.727	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-10.1	174.6	-75.1	-37.2	0	0	0	113.5	D235 L236	D235-N238 PolarHBondContact O-ND2 3.07Å; L236-N238 VanDerWaalsContact C-N 3.32Å; L236-N238 PolarHBondContact O-N 2.94Å
239	S	54.8	Low	72.5	Confident	61 Å²	61	88 Å²	88	43%	0.427	43%	0.426	S	S	.	.	S	Bend	trans	-83.6	126.7	168.6	163.3	0	0	0	0	109.9	N237 D241	N237-S239 PolarHBondContact O-N 3.05Å; S239-D241 PolarHBondContact O-N 3Å; S239-D241 PolarHBondContact OG-N 3.34Å; S239-D241 PolarHBondContact OG-O 2.68Å
240	Y	54.3	Low	73.4	Confident	226 Å²	226	91.9 Å²	91.9	89%	0.886	45%	0.445	S	S	*	.	S	Bend	trans	-67.1	-9.1	173.8	-83.3	-84.3	0	0	0	113.8
241	D	62	Low	74.4	Confident	99 Å²	99	91.9 Å²	91.9	53%	0.529	45%	0.453	S	S	.	.			trans	-99.5	99.4	-176.2	-119.7	-22.4	0	0	0	109.8	S239 H243	S239-D241 PolarHBondContact O-N 3Å; S239-D241 PolarHBondContact OG-N 3.34Å; S239-D241 PolarHBondContact OG-O 2.68Å; D241-H243 WeakPolarHBondContact CB-NE2 3.32Å; D241-H243 PolarHBondContact O-N 3.42Å; D241-H243 IonicContact OD1-CE1 3.57Å; D241-H243 PolarHBondContact OD1-CE1 2.78Å; D241-H243 IonicContact OD1-NE2 3.26Å; D241-H243 IonicContact OD2-CE1 2.75Å; D241-H243 IonicContact OD2-NE2 3.43Å
242	D	73.6	Confident	75.6	Confident	26 Å²	26	86.7 Å²	86.7	14%	0.139	44%	0.436	C	S	.	.			trans	-73.7	102.1	173.1	-69.7	-29.1	0	0	0	108.4	S267 R270 Y357	D242-S267 WeakPolarHBondContact OD1-CB 3.42Å; D242-S267 PolarHBondContact OD1-OG 3.15Å; D242-S267 WeakPolarHBondContact OD2-CB 3.48Å; D242-R270 IonicContact OD1-CZ 3.99Å; D242-R270 IonicContact OD1-NH1 2.91Å; D242-R270 PolarHBondContact OD1-NH1 2.92Å; D242-R270 IonicContact OD2-NH1 3.21Å; D242-R270 PolarHBondContact OD2-NH1 3.32Å; D242-Y357 HydrophobicContact CB-CE1 3.93Å; D242-Y357 PolarHBondContact OD2-OH 3.43Å
243	H	79.7	Confident	76.7	Confident	107 Å²	107	89.4 Å²	89.4	50%	0.495	45%	0.447	S	S	.	.			trans	-105.8	132.7	178.8	-64.2	-41.3	0	0	0	112.5	D241 L245	D241-H243 WeakPolarHBondContact CB-NE2 3.32Å; D241-H243 PolarHBondContact O-N 3.42Å; D241-H243 IonicContact OD1-CE1 3.57Å; D241-H243 PolarHBondContact OD1-CE1 2.78Å; D241-H243 IonicContact OD1-NE2 3.26Å; D241-H243 IonicContact OD2-CE1 2.75Å; D241-H243 IonicContact OD2-NE2 3.43Å; H243-L245 PolarHBondContact O-N 3.37Å
244	L	89	Confident	77.9	Confident	56 Å²	56	92.1 Å²	92.1	29%	0.293	46%	0.461	S	S	.	.			trans	-68.1	126.2	166.7	-73	163.9	0	0	0	109.4	W264 L320 E324 L359	L244-W264 HydrophobicContact CD2-CH2 3.63Å; L244-W264 HydrophobicContact CD2-CZ2 3.41Å; L244-W264 VanDerWaalsContact CD2-CZ2 3.41Å; L244-W264 HydrophobicContact CG-CH2 4.01Å; L244-W264 HydrophobicContact CG-CZ2 4.14Å; L244-L320 HydrophobicContact CD2-CD2 4.48Å; L244-E324 HydrophobicContact CD2-CG 4.21Å; L244-L359 HydrophobicContact CD1-CD1 4.09Å; L244-L359 HydrophobicContact CD1-CD2 3.92Å; L244-L359 HydrophobicContact CD1-CG 4.14Å; L244-L359 HydrophobicContact CD2-CD1 4.45Å
245	L	90.9	Very high	79	Confident	74 Å²	74	94.5 Å²	94.5	39%	0.387	47%	0.467	S	S	.	.			trans	-84.6	144.2	171.6	-58.2	-177.2	0	0	0	110.8	H243 L247 R260 E324	H243-L245 PolarHBondContact O-N 3.37Å; L245-L247 HydrophobicContact CB-CD1 4.25Å; L245-L247 HydrophobicContact CB-CD2 3.98Å; L245-L247 HydrophobicContact CB-CG 3.82Å; L245-L247 HydrophobicContact CD1-CD1 4.34Å; L245-L247 HydrophobicContact CD1-CD2 4.3Å; L245-R260 VanDerWaalsContact CD1-CZ 3.4Å; L245-E324 HydrophobicContact CB-CG 4.45Å; L245-E324 PolarHBondContact N-OE1 3.13Å; L245-E324 VanDerWaalsContact O-CA 3.32Å; L245-E324 WeakPolarHBondContact O-CA 3.32Å; L245-E324 VanDerWaalsContact O-CB 3.28Å; L245-E324 WeakPolarHBondContact O-CB 3.18Å; L245-E324 WeakPolarHBondContact O-CG 3.4Å
246	D	90.6	Very high	80.3	Confident	120 Å²	120	92.2 Å²	92.2	64%	0.642	45%	0.452	S	S	*	.			trans	-93.4	94	166.3	-177	2.5	0	0	0	109.3	N248	D246-N248 VanDerWaalsContact OD1-CB 3.28Å; D246-N248 WeakPolarHBondContact OD1-CB 3.44Å; D246-N248 PolarHBondContact OD1-N 2.97Å; D246-N248 PolarHBondContact OD1-ND2 3.36Å
247	L	92.9	Very high	81.8	Confident	20 Å²	20	87.4 Å²	87.4	11%	0.105	43%	0.427	C	S	.	.			trans	-106.1	15.7	177.9	-50.8	178	0	0	0	111.7	L245 R249 Q250 R260 E324 F325	L245-L247 HydrophobicContact CB-CD1 4.25Å; L245-L247 HydrophobicContact CB-CD2 3.98Å; L245-L247 HydrophobicContact CB-CG 3.82Å; L245-L247 HydrophobicContact CD1-CD1 4.34Å; L245-L247 HydrophobicContact CD1-CD2 4.3Å; L247-R249 PolarHBondContact O-N 3.14Å; L247-Q250 HydrophobicContact CB-CB 4.42Å; L247-Q250 HydrophobicContact CB-CG 4.5Å; L247-Q250 WeakPolarHBondContact O-CB 3.49Å; L247-Q250 PolarHBondContact O-N 3.09Å; L247-R260 HydrophobicContact CD1-CG 4.15Å; L247-E324 CarbonylContact C-O 3.59Å; L247-E324 VanDerWaalsContact C-O 3.28Å; L247-E324 WeakPolarHBondContact CA-O 3.41Å; L247-E324 VanDerWaalsContact CB-O 3.28Å; L247-E324 WeakPolarHBondContact CB-O 3.39Å; L247-E324 HydrophobicContact CD1-CB 4.21Å; L247-E324 HydrophobicContact CG-CB 4.33Å; L247-E324 PolarHBondContact N-O 3.41Å; L247-F325 HydrophobicContact CB-CD1 3.98Å; L247-F325 HydrophobicContact CB-CD2 4.45Å; L247-F325 HydrophobicContact CB-CE1 4.08Å; L247-F325 HydrophobicContact CB-CG 4.19Å; L247-F325 HydrophobicContact CB-CZ 4.36Å; L247-F325 HydrophobicContact CD1-CD2 4.21Å; L247-F325 HydrophobicContact CD1-CE1 4.21Å; L247-F325 HydrophobicContact CD1-CE2 3.66Å; L247-F325 HydrophobicContact CD1-CZ 3.66Å
248	N	89	Confident	83.4	Confident	89 Å²	89	87 Å²	87	48%	0.476	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-23.1	-176.5	-66.4	-28.8	0	0	0	114.3	D246 E324 F325 G326	D246-N248 VanDerWaalsContact OD1-CB 3.28Å; D246-N248 WeakPolarHBondContact OD1-CB 3.44Å; D246-N248 PolarHBondContact OD1-N 2.97Å; D246-N248 PolarHBondContact OD1-ND2 3.36Å; N248-E324 PolarHBondContact N-O 3.31Å; N248-E324 PolarHBondContact OD1-O 3.05Å; N248-F325 VanDerWaalsContact OD1-C 3.32Å; N248-G326 WeakPolarHBondContact OD1-CA 3.37Å; N248-G326 PolarHBondContact OD1-N 3.04Å
249	R	86.6	Confident	85	Confident	245 Å²	245	83.8 Å²	83.8	93%	0.925	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-6.5	179.3	-60.5	-177.3	-175.9	177.8	2.3	113.4	L247	L247-R249 PolarHBondContact O-N 3.14Å
250	Q	89.1	Confident	86.8	Confident	98 Å²	98	82.1 Å²	82.1	46%	0.458	39%	0.389	S	S	.	.	S	Bend	trans	-90.5	143.1	179.6	-63.4	-168	-2.9	0	0	110.5	L247 L252 F325	L247-Q250 HydrophobicContact CB-CB 4.42Å; L247-Q250 HydrophobicContact CB-CG 4.5Å; L247-Q250 WeakPolarHBondContact O-CB 3.49Å; L247-Q250 PolarHBondContact O-N 3.09Å; Q250-L252 PolarHBondContact O-N 3.37Å; Q250-F325 HydrophobicContact CB-CE1 4.2Å
251	P	91.1	Very high	88.7	Confident	81 Å²	81	71.3 Å²	71.3	53%	0.526	35%	0.346	S	S	.	.			trans	-63.7	137	171.7	27.7	-33.4	0	0	0	109.9	K253	P251-K253 HydrophobicContact CB-CG 4.39Å; P251-K253 HydrophobicContact CG-CD 4.4Å; P251-K253 HydrophobicContact CG-CG 4.27Å; P251-K253 PolarHBondContact O-N 3.19Å
252	L	93.2	Very high	90.2	Very high	34 Å²	34	66.8 Å²	66.8	18%	0.178	32%	0.322	C	S	.	.			trans	-72.8	75.9	177.4	-173.3	66.8	0	0	0	110.7	Q250 F257 V292 P295 L322 F325 Y327	Q250-L252 PolarHBondContact O-N 3.37Å; L252-F257 HydrophobicContact CD1-CB 4.12Å; L252-F257 HydrophobicContact CD1-CD2 3.41Å; L252-F257 VanDerWaalsContact CD1-CD2 3.41Å; L252-F257 HydrophobicContact CD1-CE2 3.95Å; L252-F257 HydrophobicContact CD1-CG 3.88Å; L252-V292 HydrophobicContact CD2-CG2 4.36Å; L252-V292 HydrophobicContact CG-CG1 4.5Å; L252-V292 HydrophobicContact CG-CG2 4.22Å; L252-P295 HydrophobicContact CD2-CB 3.82Å; L252-P295 HydrophobicContact CD2-CG 4.25Å; L252-L322 HydrophobicContact CD2-CD2 4.27Å; L252-F325 HydrophobicContact CB-CD1 4.45Å; L252-F325 HydrophobicContact CD1-CB 3.83Å; L252-F325 HydrophobicContact CD1-CD1 3.77Å; L252-F325 HydrophobicContact CD1-CD2 3.74Å; L252-F325 HydrophobicContact CD1-CE1 4.21Å; L252-F325 HydrophobicContact CD1-CE2 4.2Å; L252-F325 HydrophobicContact CD1-CG 3.51Å; L252-F325 HydrophobicContact CD1-CZ 4.41Å; L252-Y327 HydrophobicContact CD2-CD2 4.41Å; L252-Y327 HydrophobicContact CD2-CE2 4.19Å
253	K	93.8	Very high	91	Very high	115 Å²	115	66.2 Å²	66.2	50%	0.5	32%	0.318	S	S	.	.			trans	-83.4	138	176.4	-67.6	178.8	-177.5	169.9	0	110.3	P251 D255 E256 F257	P251-K253 HydrophobicContact CB-CG 4.39Å; P251-K253 HydrophobicContact CG-CD 4.4Å; P251-K253 HydrophobicContact CG-CG 4.27Å; P251-K253 PolarHBondContact O-N 3.19Å; K253-D255 PolarHBondContact O-N 3.47Å; K253-E256 HydrophobicContact CB-CB 4.46Å; K253-E256 PolarHBondContact O-N 3.01Å; K253-F257 VanDerWaalsContact O-CB 3.25Å; K253-F257 WeakPolarHBondContact O-CB 3.36Å; K253-F257 PolarHBondContact O-N 3.37Å
254	L	92.6	Very high	91.7	Very high	59 Å²	59	61.1 Å²	61.1	31%	0.309	29%	0.294	S	S	.	.	H	α-helix	trans	-56.4	-47.2	-174.6	-178.1	62.1	0	0	0	113.3	E256 F257 L258 N289 V292	L254-E256 PolarHBondContact O-N 3.08Å; L254-F257 PolarHBondContact O-N 3.23Å; L254-L258 HydrophobicContact CD1-CD1 3.99Å; L254-L258 HydrophobicContact CD1-CG 4Å; L254-L258 HydrophobicContact CG-CD1 3.86Å; L254-L258 HydrophobicContact CG-CG 4.31Å; L254-L258 WeakPolarHBondContact O-CB 3.25Å; L254-L258 WeakPolarHBondContact O-CG 3Å; L254-L258 PolarHBondContact O-N 3.19Å; L254-N289 WeakPolarHBondContact CD2-OD1 3.46Å; L254-V292 HydrophobicContact CD1-CG2 4.01Å
255	D	90.5	Very high	91.9	Very high	99 Å²	99	58.7 Å²	58.7	53%	0.529	28%	0.282	S	S	.	.	H	α-helix	trans	-64.1	-43.9	-177.7	-65.2	-9.7	0	0	0	112.5	F229 K253 F257 K259	F229-D255 HydrophobicContact CE1-CB 4.19Å; F229-D255 HydrophobicContact CZ-CB 4.02Å; K253-D255 PolarHBondContact O-N 3.47Å; D255-F257 VanDerWaalsContact C-N 3.34Å; D255-K259 WeakPolarHBondContact O-CG 3.49Å; D255-K259 PolarHBondContact O-N 3.27Å; D255-K259 VanDerWaalsContact O-N 3.17Å
256	E	90.9	Very high	91.8	Very high	73 Å²	73	56.8 Å²	56.8	34%	0.341	28%	0.275	S	S	.	.	H	α-helix	trans	-65.7	-41.3	177	-70.5	169.8	-175.1	0	0	110.3	K253 L254 K259 R260	K253-E256 HydrophobicContact CB-CB 4.46Å; K253-E256 PolarHBondContact O-N 3.01Å; L254-E256 PolarHBondContact O-N 3.08Å; E256-K259 WeakPolarHBondContact O-CB 3.39Å; E256-K259 PolarHBondContact O-N 3.37Å; E256-R260 WeakPolarHBondContact O-CG 3.11Å; E256-R260 PolarHBondContact O-N 3.14Å
257	F	94.9	Very high	91.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-65.1	-45.1	177.2	-175.2	-112.4	0	0	0	112.6	L252 K253 L254 D255 K259 R260 C261 A288 A291 V292 V318 A321 L322 F325	L252-F257 HydrophobicContact CD1-CB 4.12Å; L252-F257 HydrophobicContact CD1-CD2 3.41Å; L252-F257 VanDerWaalsContact CD1-CD2 3.41Å; L252-F257 HydrophobicContact CD1-CE2 3.95Å; L252-F257 HydrophobicContact CD1-CG 3.88Å; K253-F257 VanDerWaalsContact O-CB 3.25Å; K253-F257 WeakPolarHBondContact O-CB 3.36Å; K253-F257 PolarHBondContact O-N 3.37Å; L254-F257 PolarHBondContact O-N 3.23Å; D255-F257 VanDerWaalsContact C-N 3.34Å; F257-K259 VanDerWaalsContact C-N 3.31Å; F257-K259 PolarHBondContact O-N 3.11Å; F257-R260 CarbonylContact O-C 3.59Å; F257-R260 WeakPolarHBondContact O-CA 3.42Å; F257-R260 WeakPolarHBondContact O-CB 3.19Å; F257-R260 PolarHBondContact O-N 3.06Å; F257-C261 VanDerWaalsContact CE1-SG 3.53Å; F257-C261 PolarHBondContact O-N 2.93Å; F257-C261 PolarHBondContact O-SG 3.3Å; F257-A288 HydrophobicContact CD1-CB 4.09Å; F257-A288 HydrophobicContact CE1-CB 3.86Å; F257-A288 WeakPolarHBondContact CE1-O 3.49Å; F257-A291 HydrophobicContact CE1-CB 4.03Å; F257-A291 HydrophobicContact CZ-CB 4.05Å; F257-V292 HydrophobicContact CB-CG2 4.14Å; F257-V292 HydrophobicContact CD1-CG2 3.25Å; F257-V292 HydrophobicContact CE1-CG2 3.74Å; F257-V292 HydrophobicContact CG-CG2 3.81Å; F257-V318 HydrophobicContact CE1-CG1 4.26Å; F257-V318 HydrophobicContact CZ-CG1 4Å; F257-A321 HydrophobicContact CD2-CB 4.05Å; F257-A321 HydrophobicContact CE2-CB 3.51Å; F257-A321 HydrophobicContact CZ-CB 4.01Å; F257-L322 HydrophobicContact CE2-CD2 3.89Å; F257-L322 HydrophobicContact CE2-CG 4.06Å; F257-L322 HydrophobicContact CZ-CD2 3.82Å; F257-L322 HydrophobicContact CZ-CG 3.82Å; F257-F325 AromaticContact CD2-CD2 3.91Å; F257-F325 HydrophobicContact CD2-CD2 3.91Å; F257-F325 AromaticContact CD2-CE2 3.86Å; F257-F325 HydrophobicContact CD2-CE2 3.86Å; F257-F325 HydrophobicContact CE2-CD2 4.43Å
258	L	93.6	Very high	91.7	Very high	10 Å²	10	50.1 Å²	50.1	5%	0.052	24%	0.239	C	C	.	.	H	α-helix	trans	-59.8	-40.7	176.9	-80.1	170.9	0	0	0	111.8	F229 L254 R260 C261 W262 N285 A288	F229-L258 HydrophobicContact CD2-CB 4.31Å; F229-L258 HydrophobicContact CD2-CD1 4.43Å; F229-L258 HydrophobicContact CE2-CB 4.48Å; F229-L258 HydrophobicContact CE2-CD1 4.1Å; F229-L258 HydrophobicContact CG-CB 4.49Å; L254-L258 HydrophobicContact CD1-CD1 3.99Å; L254-L258 HydrophobicContact CD1-CG 4Å; L254-L258 HydrophobicContact CG-CD1 3.86Å; L254-L258 HydrophobicContact CG-CG 4.31Å; L254-L258 WeakPolarHBondContact O-CB 3.25Å; L254-L258 WeakPolarHBondContact O-CG 3Å; L254-L258 PolarHBondContact O-N 3.19Å; L258-R260 VanDerWaalsContact C-N 3.29Å; L258-R260 PolarHBondContact O-N 3.32Å; L258-C261 PolarHBondContact O-N 3.35Å; L258-W262 VanDerWaalsContact O-CD1 3.25Å; L258-W262 PolarHBondContact O-N 3.35Å; L258-N285 WeakPolarHBondContact CD2-OD1 3.43Å; L258-A288 HydrophobicContact CD2-CB 3.55Å; L258-A288 HydrophobicContact CG-CB 4.48Å
259	K	91.4	Very high	91.8	Very high	68 Å²	68	47.4 Å²	47.4	30%	0.296	23%	0.227	S	C	.	.	H	α-helix	trans	-56.4	-44.8	172.6	-70.7	174.6	-164.2	-145	0	111.5	F229 E232 D255 E256 F257 W262 Y263	F229-K259 HydrophobicContact CD1-CD 4.22Å; F229-K259 HydrophobicContact CD1-CG 3.39Å; F229-K259 HydrophobicContact CE1-CD 4.38Å; F229-K259 HydrophobicContact CE1-CG 3.9Å; F229-K259 HydrophobicContact CG-CG 4.35Å; E232-K259 IonicContact OE1-NZ 3.84Å; E232-K259 WeakPolarHBondContact OE2-CD 3.42Å; E232-K259 WeakPolarHBondContact OE2-CE 3.42Å; E232-K259 IonicContact OE2-NZ 2.68Å; E232-K259 PolarHBondContact OE2-NZ 3.47Å; D255-K259 WeakPolarHBondContact O-CG 3.49Å; D255-K259 PolarHBondContact O-N 3.27Å; D255-K259 VanDerWaalsContact O-N 3.17Å; E256-K259 WeakPolarHBondContact O-CB 3.39Å; E256-K259 PolarHBondContact O-N 3.37Å; F257-K259 VanDerWaalsContact C-N 3.31Å; F257-K259 PolarHBondContact O-N 3.11Å; K259-W262 PolarHBondContact O-N 3.02Å; K259-Y263 WeakPolarHBondContact O-CB 3.48Å; K259-Y263 PolarHBondContact O-N 2.95Å
260	R	93.7	Very high	91.9	Very high	25 Å²	25	41.1 Å²	41.1	9%	0.094	20%	0.204	C	C	.	.	H	α-helix	trans	-66.1	-41.6	176.6	-60.8	-47.8	-60.9	161.3	-1.9	111.9	L245 L247 E256 F257 L258 W262 Y263 W264 A321 E324 F325	L245-R260 VanDerWaalsContact CD1-CZ 3.4Å; L247-R260 HydrophobicContact CD1-CG 4.15Å; E256-R260 WeakPolarHBondContact O-CG 3.11Å; E256-R260 PolarHBondContact O-N 3.14Å; F257-R260 CarbonylContact O-C 3.59Å; F257-R260 WeakPolarHBondContact O-CA 3.42Å; F257-R260 WeakPolarHBondContact O-CB 3.19Å; F257-R260 PolarHBondContact O-N 3.06Å; L258-R260 VanDerWaalsContact C-N 3.29Å; L258-R260 PolarHBondContact O-N 3.32Å; R260-W262 PolarHBondContact O-N 3.22Å; R260-Y263 VanDerWaalsContact NH2-CD1 3.31Å; R260-Y263 VanDerWaalsContact NH2-CE1 3.32Å; R260-Y263 WeakPolarHBondContact O-CB 3.44Å; R260-Y263 PolarHBondContact O-N 3.29Å; R260-W264 PolarHBondContact O-N 3.02Å; R260-A321 HydrophobicContact CB-CB 3.91Å; R260-E324 IonicContact CZ-OE1 2.81Å; R260-E324 IonicContact CZ-OE2 3.62Å; R260-E324 IonicContact NE-OE1 3.29Å; R260-E324 IonicContact NE-OE2 3.77Å; R260-E324 PolarHBondContact NE-OE2 2.77Å; R260-E324 IonicContact NH2-OE1 3.86Å; R260-E324 PolarHBondContact NH2-OE1 2.85Å; R260-E324 IonicContact NH2-OE2 3.64Å; R260-E324 PolarHBondContact NH2-OE2 3.01Å; R260-F325 HydrophobicContact CG-CE2 4.04Å
261	C	94.7	Very high	92	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59	-44.8	175	-62.4	0	0	0	0	112	F257 L258 W264 S265 L284 V318	F257-C261 VanDerWaalsContact CE1-SG 3.53Å; F257-C261 PolarHBondContact O-N 2.93Å; F257-C261 PolarHBondContact O-SG 3.3Å; L258-C261 PolarHBondContact O-N 3.35Å; C261-W264 PolarHBondContact O-N 2.79Å; C261-S265 VanDerWaalsContact O-CB 3.23Å; C261-S265 WeakPolarHBondContact O-CB 3.38Å; C261-S265 PolarHBondContact O-N 3.28Å; C261-L284 HydrophobicContact CB-CD1 4.34Å; C261-L284 HydrophobicContact CB-CD2 4.47Å; C261-L284 HydrophobicContact CB-CG 4.41Å; C261-V318 HydrophobicContact CB-CG2 4.32Å
262	W	91.8	Very high	92.1	Very high	3 Å²	3	35.2 Å²	35.2	1%	0.011	17%	0.171	C	C	.	.	H	α-helix	trans	-68.6	-35.7	177.8	-82.1	106.3	0	0	0	113.2	F226 F229 K230 A233 L258 K259 R260 S265 S266 I279 P281 L284	F226-W262 HydrophobicContact CB-CZ2 4.45Å; F229-W262 HydrophobicContact CB-CG 4.32Å; K230-W262 HydrophobicContact CB-CD2 4.07Å; K230-W262 HydrophobicContact CB-CE3 3.92Å; K230-W262 HydrophobicContact CB-CZ3 4.25Å; K230-W262 HydrophobicContact CD-CE3 4.17Å; K230-W262 HydrophobicContact CD-CH2 4.24Å; K230-W262 HydrophobicContact CD-CZ3 3.75Å; K230-W262 HydrophobicContact CG-CD2 4.49Å; K230-W262 HydrophobicContact CG-CE3 3.84Å; K230-W262 HydrophobicContact CG-CZ3 3.96Å; A233-W262 HydrophobicContact CB-CB 3.77Å; L258-W262 VanDerWaalsContact O-CD1 3.25Å; L258-W262 PolarHBondContact O-N 3.35Å; K259-W262 PolarHBondContact O-N 3.02Å; R260-W262 PolarHBondContact O-N 3.22Å; W262-S265 PolarHBondContact O-N 3.39Å; W262-S266 PolarHBondContact O-N 3.2Å; W262-S266 VanDerWaalsContact O-N 3.14Å; W262-S266 PolarHBondContact O-OG 2.78Å; W262-S266 VanDerWaalsContact O-OG 3.07Å; W262-I279 HydrophobicContact CZ3-CD1 4.08Å; W262-P281 HydrophobicContact CH2-CB 3.74Å; W262-P281 HydrophobicContact CH2-CG 4.15Å; W262-P281 HydrophobicContact CZ2-CB 3.96Å; W262-L284 HydrophobicContact CD2-CD2 3.57Å; W262-L284 HydrophobicContact CE3-CD2 3.84Å; W262-L284 HydrophobicContact CG-CD2 4.02Å; W262-L284 HydrophobicContact CH2-CD2 4.11Å; W262-L284 HydrophobicContact CZ2-CD2 3.87Å; W262-L284 HydrophobicContact CZ3-CD2 4.1Å
263	Y	91.8	Very high	91.9	Very high	15 Å²	15	42.4 Å²	42.4	6%	0.059	20%	0.201	C	C	.	.	H	α-helix	trans	-59.1	-54.1	171.1	170	-92.9	0	0	0	110.7	L236 N237 K259 R260 S265 S266 S267	L236-Y263 HydrophobicContact CB-CD2 4.13Å; L236-Y263 HydrophobicContact CB-CE2 4.46Å; N237-Y263 PolarHBondContact ND2-O 3.37Å; N237-Y263 VanDerWaalsContact OD1-CE2 3.24Å; N237-Y263 WeakPolarHBondContact OD1-CE2 3.33Å; K259-Y263 WeakPolarHBondContact O-CB 3.48Å; K259-Y263 PolarHBondContact O-N 2.95Å; R260-Y263 VanDerWaalsContact NH2-CD1 3.31Å; R260-Y263 VanDerWaalsContact NH2-CE1 3.32Å; R260-Y263 WeakPolarHBondContact O-CB 3.44Å; R260-Y263 PolarHBondContact O-N 3.29Å; Y263-S265 VanDerWaalsContact C-N 3.32Å; Y263-S265 PolarHBondContact O-N 3.36Å; Y263-S266 WeakPolarHBondContact O-CB 3.46Å; Y263-S266 PolarHBondContact O-N 3.07Å; Y263-S267 PolarHBondContact O-N 2.97Å; Y263-S267 PolarHBondContact O-OG 3.29Å
264	W	93.9	Very high	91.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.2	-35.7	179.3	-75.1	116.1	0	0	0	113.1	L244 R260 C261 S266 S267 L268 A317 L320 E324 Y357	L244-W264 HydrophobicContact CD2-CH2 3.63Å; L244-W264 HydrophobicContact CD2-CZ2 3.41Å; L244-W264 VanDerWaalsContact CD2-CZ2 3.41Å; L244-W264 HydrophobicContact CG-CH2 4.01Å; L244-W264 HydrophobicContact CG-CZ2 4.14Å; R260-W264 PolarHBondContact O-N 3.02Å; C261-W264 PolarHBondContact O-N 2.79Å; W264-S266 PolarHBondContact O-N 3.18Å; W264-S267 PolarHBondContact O-N 3.29Å; W264-L268 VanDerWaalsContact O-CB 3.23Å; W264-L268 WeakPolarHBondContact O-CB 3.29Å; W264-L268 WeakPolarHBondContact O-CG 3.45Å; W264-L268 PolarHBondContact O-N 2.83Å; W264-A317 HydrophobicContact CB-CB 3.97Å; W264-L320 HydrophobicContact CB-CB 4.39Å; W264-L320 HydrophobicContact CD2-CB 3.7Å; W264-L320 HydrophobicContact CD2-CD1 3.87Å; W264-L320 HydrophobicContact CD2-CG 4.42Å; W264-L320 HydrophobicContact CE3-CB 4.23Å; W264-L320 HydrophobicContact CE3-CD1 3.51Å; W264-L320 HydrophobicContact CE3-CG 4.48Å; W264-L320 HydrophobicContact CG-CB 3.74Å; W264-L320 HydrophobicContact CG-CD1 4.38Å; W264-L320 HydrophobicContact CZ3-CD1 3.97Å; W264-E324 HydrophobicContact CZ2-CG 4.39Å; W264-E324 VanDerWaalsContact CZ2-OE1 3.32Å; W264-E324 WeakPolarHBondContact CZ2-OE1 3.36Å; W264-E324 PolarHBondContact NE1-OE1 3.33Å; W264-E324 PolarHBondContact NE1-OE2 3.14Å; W264-Y357 HydrophobicContact CH2-CD1 4.42Å; W264-Y357 HydrophobicContact CH2-CE1 4.11Å; W264-Y357 HydrophobicContact CZ3-CD1 4.33Å; W264-Y357 AromaticContact CZ3-CE1 3.68Å; W264-Y357 HydrophobicContact CZ3-CE1 3.68Å; W264-Y357 HydrophobicContact CZ3-CE2 4.25Å; W264-Y357 AromaticContact CZ3-CZ 3.62Å
265	S	92.4	Very high	91.5	Very high	4 Å²	4	40.8 Å²	40.8	3%	0.028	19%	0.193	C	C	.	.	H	α-helix	trans	-60.6	-31.4	173.5	-179.1	0	0	0	0	112.2	C261 W262 Y263 Y274 I279	C261-S265 VanDerWaalsContact O-CB 3.23Å; C261-S265 WeakPolarHBondContact O-CB 3.38Å; C261-S265 PolarHBondContact O-N 3.28Å; W262-S265 PolarHBondContact O-N 3.39Å; Y263-S265 VanDerWaalsContact C-N 3.32Å; Y263-S265 PolarHBondContact O-N 3.36Å; S265-Y274 PolarHBondContact O-OH 2.95Å; S265-I279 WeakPolarHBondContact OG-CD1 3.49Å
266	S	89.4	Confident	91.1	Very high	35 Å²	35	39.5 Å²	39.5	25%	0.245	19%	0.192	C	C	.	.	H	α-helix	trans	-82.5	-42.3	175.9	-59.7	0	0	0	0	111.6	N237 W262 Y263 W264 S269	N237-S266 WeakPolarHBondContact ND2-CB 3.46Å; W262-S266 PolarHBondContact O-N 3.2Å; W262-S266 VanDerWaalsContact O-N 3.14Å; W262-S266 PolarHBondContact O-OG 2.78Å; W262-S266 VanDerWaalsContact O-OG 3.07Å; Y263-S266 WeakPolarHBondContact O-CB 3.46Å; Y263-S266 PolarHBondContact O-N 3.07Å; W264-S266 PolarHBondContact O-N 3.18Å; S266-S269 WeakPolarHBondContact O-CB 3.43Å; S266-S269 PolarHBondContact O-N 2.94Å; S266-S269 PolarHBondContact O-OG 3.46Å
267	S	89.8	Confident	90.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.1	-45	178	-62.3	0	0	0	0	112.5	N237 D242 Y263 W264 S269 R270	N237-S267 PolarHBondContact OD1-OG 2.8Å; N237-S267 VanDerWaalsContact OD1-OG 3.1Å; D242-S267 WeakPolarHBondContact OD1-CB 3.42Å; D242-S267 PolarHBondContact OD1-OG 3.15Å; D242-S267 WeakPolarHBondContact OD2-CB 3.48Å; Y263-S267 PolarHBondContact O-N 2.97Å; Y263-S267 PolarHBondContact O-OG 3.29Å; W264-S267 PolarHBondContact O-N 3.29Å; S267-S269 PolarHBondContact O-N 2.98Å; S267-S269 VanDerWaalsContact O-N 3.14Å; S267-R270 PolarHBondContact O-N 2.89Å
268	L	92.7	Very high	90.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65.5	-17.9	-179.4	-77.4	173.5	0	0	0	113.6	W264 R270 V271 L272 Y274 C316 A317 L320 I353 Y357	W264-L268 VanDerWaalsContact O-CB 3.23Å; W264-L268 WeakPolarHBondContact O-CB 3.29Å; W264-L268 WeakPolarHBondContact O-CG 3.45Å; W264-L268 PolarHBondContact O-N 2.83Å; L268-R270 PolarHBondContact O-N 3.26Å; L268-V271 HydrophobicContact CD2-CB 4.29Å; L268-V271 HydrophobicContact CD2-CG1 4.33Å; L268-V271 PolarHBondContact O-N 3.21Å; L268-V271 VanDerWaalsContact O-N 3.14Å; L268-L272 HydrophobicContact CD2-CG 4.48Å; L268-L272 WeakPolarHBondContact O-CB 3.47Å; L268-L272 PolarHBondContact O-N 3.4Å; L268-Y274 HydrophobicContact CB-CE1 4.09Å; L268-Y274 WeakPolarHBondContact CB-OH 3.4Å; L268-Y274 WeakPolarHBondContact O-CE1 3.33Å; L268-C316 HydrophobicContact CD1-CB 3.57Å; L268-A317 HydrophobicContact CD1-CB 4.17Å; L268-L320 HydrophobicContact CD1-CD1 3.92Å; L268-L320 HydrophobicContact CD2-CD1 3.88Å; L268-L320 HydrophobicContact CG-CD1 4.01Å; L268-I353 HydrophobicContact CD2-CD1 3.79Å; L268-I353 HydrophobicContact CD2-CG1 3.9Å; L268-Y357 HydrophobicContact CD2-CE2 4.13Å
269	S	90.7	Very high	90.4	Very high	31 Å²	31	46.3 Å²	46.3	22%	0.217	23%	0.228	C	C	.	.	H	α-helix	trans	-59.5	-33.5	177.5	72.1	0	0	0	0	112	S266 S267 K273 Y274	S266-S269 WeakPolarHBondContact O-CB 3.43Å; S266-S269 PolarHBondContact O-N 2.94Å; S266-S269 PolarHBondContact O-OG 3.46Å; S267-S269 PolarHBondContact O-N 2.98Å; S267-S269 VanDerWaalsContact O-N 3.14Å; S269-K273 WeakPolarHBondContact O-CA 3.16Å; S269-K273 PolarHBondContact O-N 3.35Å; S269-Y274 PolarHBondContact N-OH 3Å; S269-Y274 PolarHBondContact O-N 2.84Å
270	R	88.5	Confident	90.4	Very high	114 Å²	114	45.8 Å²	45.8	43%	0.43	23%	0.226	S	C	.	.	H	α-helix	trans	-74	-41.2	176.4	-51.4	178	-159	133.7	-3.5	111.7	D242 S267 L268	D242-R270 IonicContact OD1-CZ 3.99Å; D242-R270 IonicContact OD1-NH1 2.91Å; D242-R270 PolarHBondContact OD1-NH1 2.92Å; D242-R270 IonicContact OD2-NH1 3.21Å; D242-R270 PolarHBondContact OD2-NH1 3.32Å; S267-R270 PolarHBondContact O-N 2.89Å; L268-R270 PolarHBondContact O-N 3.26Å
271	V	90.7	Very high	90.2	Very high	17 Å²	17	46.5 Å²	46.5	10%	0.103	23%	0.234	C	C	.	.	H	α-helix	trans	-73.6	-46.5	-174.3	177	0	0	0	0	111.1	L268 L352 I353 Y357	L268-V271 HydrophobicContact CD2-CB 4.29Å; L268-V271 HydrophobicContact CD2-CG1 4.33Å; L268-V271 PolarHBondContact O-N 3.21Å; L268-V271 VanDerWaalsContact O-N 3.14Å; V271-L352 HydrophobicContact CB-CD2 4.35Å; V271-L352 HydrophobicContact CG1-CD2 3.1Å; V271-I353 HydrophobicContact CG1-CG1 4.35Å; V271-Y357 HydrophobicContact CG2-CE2 4.44Å
272	L	93	Very high	90.1	Very high	38 Å²	38	46.7 Å²	46.7	20%	0.199	24%	0.236	C	C	.	.	H	α-helix	trans	-96.6	-3.3	-179	-61	-176.7	0	0	0	113.7	L268 Y274 A349 I353	L268-L272 HydrophobicContact CD2-CG 4.48Å; L268-L272 WeakPolarHBondContact O-CB 3.47Å; L268-L272 PolarHBondContact O-N 3.4Å; L272-Y274 HydrophobicContact CB-CD1 3.71Å; L272-Y274 HydrophobicContact CB-CE1 3.9Å; L272-Y274 HydrophobicContact CD1-CE1 4.23Å; L272-Y274 PolarHBondContact O-N 3.38Å; L272-A349 HydrophobicContact CD2-CB 3.77Å; L272-I353 HydrophobicContact CD1-CD1 4.22Å; L272-I353 HydrophobicContact CD2-CD1 4.24Å; L272-I353 HydrophobicContact CD2-CG1 4.27Å; L272-I353 HydrophobicContact CG-CD1 4.49Å
273	K	90.3	Very high	90.2	Very high	185 Å²	185	46.5 Å²	46.5	80%	0.804	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	38.8	174.4	-55.6	-179.2	-179.4	178	0	115	S269	S269-K273 WeakPolarHBondContact O-CA 3.16Å; S269-K273 PolarHBondContact O-N 3.35Å
274	Y	90.5	Very high	90.4	Very high	14 Å²	14	45.8 Å²	45.8	6%	0.055	23%	0.233	C	C	.	.			trans	-101.2	159	171.2	64.5	-93.5	0	0	0	111.4	S265 L268 S269 L272 I279 P313	S265-Y274 PolarHBondContact O-OH 2.95Å; L268-Y274 HydrophobicContact CB-CE1 4.09Å; L268-Y274 WeakPolarHBondContact CB-OH 3.4Å; L268-Y274 WeakPolarHBondContact O-CE1 3.33Å; S269-Y274 PolarHBondContact N-OH 3Å; S269-Y274 PolarHBondContact O-N 2.84Å; L272-Y274 HydrophobicContact CB-CD1 3.71Å; L272-Y274 HydrophobicContact CB-CE1 3.9Å; L272-Y274 HydrophobicContact CD1-CE1 4.23Å; L272-Y274 PolarHBondContact O-N 3.38Å; Y274-I279 HydrophobicContact CD2-CG2 4.03Å; Y274-I279 HydrophobicContact CE2-CG2 3.83Å; Y274-P313 HydrophobicContact CD1-CB 4.02Å; Y274-P313 HydrophobicContact CD1-CG 3.76Å; Y274-P313 HydrophobicContact CD2-CB 4.44Å; Y274-P313 HydrophobicContact CD2-CG 4.48Å; Y274-P313 HydrophobicContact CE1-CB 3.63Å; Y274-P313 HydrophobicContact CE1-CG 3.9Å; Y274-P313 HydrophobicContact CE2-CB 4.12Å; Y274-P313 HydrophobicContact CG-CB 4.4Å; Y274-P313 HydrophobicContact CG-CG 4.07Å
275	Q	87.2	Confident	90.3	Very high	126 Å²	126	45.9 Å²	45.9	59%	0.589	23%	0.233	S	C	*	.			trans	-92	144	174.4	-59.5	-60.1	-44.3	0	0	110.5	D277 Q278	Q275-D277 WeakPolarHBondContact CB-OD1 3.08Å; Q275-D277 PolarHBondContact O-N 3.07Å; Q275-D277 VanDerWaalsContact O-N 3.09Å; Q275-Q278 HydrophobicContact CB-CG 4.1Å; Q275-Q278 VanDerWaalsContact O-CB 3.29Å; Q275-Q278 WeakPolarHBondContact O-CB 3.17Å; Q275-Q278 PolarHBondContact O-N 2.98Å
276	S	80.5	Confident	90.5	Very high	72 Å²	72	45.7 Å²	45.7	50%	0.503	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-13.5	-173.1	69.4	0	0	0	0	115.3	I279	S276-I279 WeakPolarHBondContact O-CG1 3.24Å
277	D	84.6	Confident	90.9	Very high	135 Å²	135	44 Å²	44	72%	0.722	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-10.9	174.9	63.4	-25.9	0	0	0	113	Q275	Q275-D277 WeakPolarHBondContact CB-OD1 3.08Å; Q275-D277 PolarHBondContact O-N 3.07Å; Q275-D277 VanDerWaalsContact O-N 3.09Å
278	Q	89.3	Confident	91.2	Very high	77 Å²	77	44 Å²	44	36%	0.36	22%	0.22	S	C	.	.	S	Bend	trans	-78.8	-23.9	177.4	-65.7	-177.5	-50.1	0	0	113.2	Q275 K309	Q275-Q278 HydrophobicContact CB-CG 4.1Å; Q275-Q278 VanDerWaalsContact O-CB 3.29Å; Q275-Q278 WeakPolarHBondContact O-CB 3.17Å; Q275-Q278 PolarHBondContact O-N 2.98Å; Q278-K309 CarbonylContact C-O 3.52Å; Q278-K309 HydrophobicContact CB-CB 4.23Å
279	I	91.1	Very high	91.4	Very high	13 Å²	13	46.3 Å²	46.3	7%	0.067	23%	0.232	C	C	.	.	S	Bend	trans	-83.9	135.6	-179.2	55	151.9	0	0	0	111.2	W262 S265 Y274 S276 P281 P313	W262-I279 HydrophobicContact CZ3-CD1 4.08Å; S265-I279 WeakPolarHBondContact OG-CD1 3.49Å; Y274-I279 HydrophobicContact CD2-CG2 4.03Å; Y274-I279 HydrophobicContact CE2-CG2 3.83Å; S276-I279 WeakPolarHBondContact O-CG1 3.24Å; I279-P281 WeakPolarHBondContact O-CD 3.37Å; I279-P313 HydrophobicContact CG2-CB 3.73Å; I279-P313 HydrophobicContact CG2-CG 4.3Å
280	H	91.3	Very high	91.8	Very high	57 Å²	57	47.2 Å²	47.2	26%	0.264	23%	0.231	S	C	.	.			trans	-84.4	114.9	173.7	-166.5	-74.8	0	0	0	110.4	G282 E283 L284 Y305 S310 N314	H280-G282 VanDerWaalsContact C-N 3.32Å; H280-G282 PolarHBondContact ND1-N 3.24Å; H280-G282 PolarHBondContact O-N 2.91Å; H280-E283 HydrophobicContact CB-CB 4.13Å; H280-E283 PolarHBondContact ND1-N 3.27Å; H280-E283 WeakPolarHBondContact O-CB 3.41Å; H280-E283 PolarHBondContact O-N 2.91Å; H280-L284 PolarHBondContact O-N 3.05Å; H280-Y305 HydrophobicContact CB-CD2 3.65Å; H280-Y305 HydrophobicContact CB-CE2 3.93Å; H280-Y305 HydrophobicContact CB-CG 4.11Å; H280-Y305 AromaticContact CD2-CD1 3.82Å; H280-Y305 AromaticContact CD2-CE1 3.62Å; H280-Y305 AromaticContact CD2-CE2 3.88Å; H280-Y305 AromaticContact CD2-CZ 3.66Å; H280-Y305 AromaticContact CE1-CE2 3.94Å; H280-Y305 AromaticContact CE1-CZ 3.55Å; H280-Y305 PolarHBondContact CE1-OH 3.2Å; H280-Y305 AromaticContact CG-CD2 3.68Å; H280-Y305 AromaticContact CG-CE2 3.5Å; H280-Y305 VanDerWaalsContact CG-CE2 3.5Å; H280-Y305 AromaticContact CG-CZ 3.72Å; H280-Y305 AromaticContact ND1-CE2 3.53Å; H280-Y305 AromaticContact ND1-CZ 3.65Å; H280-Y305 AromaticContact NE2-CE1 3.64Å; H280-Y305 AromaticContact NE2-CZ 3.56Å; H280-S310 WeakPolarHBondContact CB-OG 3.28Å; H280-S310 PolarHBondContact N-OG 3.22Å; H280-N314 PolarHBondContact O-ND2 3.42Å
281	P	90.3	Very high	92.2	Very high	40 Å²	40	41.8 Å²	41.8	26%	0.26	21%	0.211	S	C	.	.	H	α-helix	trans	-56.9	-42.6	-177	-27.8	37.1	0	0	0	113.3	W262 I279 E283 L284 N285	W262-P281 HydrophobicContact CH2-CB 3.74Å; W262-P281 HydrophobicContact CH2-CG 4.15Å; W262-P281 HydrophobicContact CZ2-CB 3.96Å; I279-P281 WeakPolarHBondContact O-CD 3.37Å; P281-E283 PolarHBondContact O-N 3.28Å; P281-L284 WeakPolarHBondContact O-CB 3.48Å; P281-L284 PolarHBondContact O-N 2.93Å; P281-N285 PolarHBondContact O-N 3.5Å; P281-N285 PolarHBondContact O-ND2 2.85Å
282	G	91.7	Very high	92.5	Very high	4 Å²	4	42.8 Å²	42.8	4%	0.041	22%	0.217	C	C	.	.	H	α-helix	trans	-59.4	-29.9	177.2	0	0	0	0	0	113.4	F214 H280 A286	F214-G282 VanDerWaalsContact CB-O 3.28Å; F214-G282 WeakPolarHBondContact CB-O 3.43Å; F214-G282 VanDerWaalsContact O-CA 3.22Å; F214-G282 WeakPolarHBondContact O-CA 3.34Å; H280-G282 VanDerWaalsContact C-N 3.32Å; H280-G282 PolarHBondContact ND1-N 3.24Å; H280-G282 PolarHBondContact O-N 2.91Å; G282-A286 WeakPolarHBondContact O-CB 3.35Å; G282-A286 PolarHBondContact O-N 3.46Å
283	E	95.1	Very high	92.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-74.3	-42.2	177.7	-173.8	173.9	-114.8	0	0	112	V211 H280 P281 N285 A286 F287 Y305 S310 G311 N314	V211-E283 HydrophobicContact CG1-CB 3.93Å; V211-E283 HydrophobicContact CG1-CG 3.81Å; H280-E283 HydrophobicContact CB-CB 4.13Å; H280-E283 PolarHBondContact ND1-N 3.27Å; H280-E283 WeakPolarHBondContact O-CB 3.41Å; H280-E283 PolarHBondContact O-N 2.91Å; P281-E283 PolarHBondContact O-N 3.28Å; E283-N285 VanDerWaalsContact C-N 3.29Å; E283-N285 PolarHBondContact O-N 2.88Å; E283-A286 PolarHBondContact O-N 3.09Å; E283-F287 HydrophobicContact CG-CD1 4.48Å; E283-F287 HydrophobicContact CG-CD2 4.47Å; E283-F287 HydrophobicContact CG-CE1 3.97Å; E283-F287 HydrophobicContact CG-CE2 4Å; E283-F287 HydrophobicContact CG-CZ 3.72Å; E283-F287 WeakPolarHBondContact O-CB 3.39Å; E283-F287 WeakPolarHBondContact O-CG 3.25Å; E283-F287 PolarHBondContact O-N 3.17Å; E283-Y305 HydrophobicContact CB-CD2 4.02Å; E283-Y305 HydrophobicContact CB-CE2 3.89Å; E283-Y305 HydrophobicContact CG-CD2 4.42Å; E283-S310 VanDerWaalsContact OE2-CB 3.27Å; E283-S310 WeakPolarHBondContact OE2-CB 3.49Å; E283-S310 PolarHBondContact OE2-OG 3.44Å; E283-G311 VanDerWaalsContact OE2-CA 3.32Å; E283-G311 WeakPolarHBondContact OE2-CA 3.27Å; E283-G311 PolarHBondContact OE2-N 3.3Å; E283-G311 VanDerWaalsContact OE2-N 3.11Å; E283-N314 PolarHBondContact OE2-ND2 2.81Å
284	L	94.8	Very high	92.9	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-56.6	-46.6	171.7	-173	72.8	0	0	0	110.9	C261 W262 H280 P281 F287 A288 N314 A317 V318	C261-L284 HydrophobicContact CB-CD1 4.34Å; C261-L284 HydrophobicContact CB-CD2 4.47Å; C261-L284 HydrophobicContact CB-CG 4.41Å; W262-L284 HydrophobicContact CD2-CD2 3.57Å; W262-L284 HydrophobicContact CE3-CD2 3.84Å; W262-L284 HydrophobicContact CG-CD2 4.02Å; W262-L284 HydrophobicContact CH2-CD2 4.11Å; W262-L284 HydrophobicContact CZ2-CD2 3.87Å; W262-L284 HydrophobicContact CZ3-CD2 4.1Å; H280-L284 PolarHBondContact O-N 3.05Å; P281-L284 WeakPolarHBondContact O-CB 3.48Å; P281-L284 PolarHBondContact O-N 2.93Å; L284-F287 PolarHBondContact O-N 3.09Å; L284-A288 VanDerWaalsContact O-CB 3.32Å; L284-A288 WeakPolarHBondContact O-CB 3.42Å; L284-A288 PolarHBondContact O-N 2.7Å; L284-N314 HydrophobicContact CB-CB 4.33Å; L284-N314 HydrophobicContact CD1-CB 4.02Å; L284-A317 HydrophobicContact CD1-CB 3.94Å; L284-V318 HydrophobicContact CD1-CG2 3.87Å
285	N	93.5	Very high	93.2	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-65.7	-41.5	179.9	-65.7	-43.1	0	0	0	112.1	F214 F226 L258 P281 E283 A288 N289	F214-N285 HydrophobicContact CD1-CB 4.31Å; F226-N285 WeakPolarHBondContact CD1-ND2 3.46Å; F226-N285 HydrophobicContact CE1-CB 4.13Å; F226-N285 WeakPolarHBondContact CE1-ND2 3.38Å; F226-N285 WeakPolarHBondContact CG-ND2 3.2Å; F226-N285 VanDerWaalsContact CZ-ND2 3.33Å; F226-N285 WeakPolarHBondContact CZ-ND2 3.24Å; L258-N285 WeakPolarHBondContact CD2-OD1 3.43Å; P281-N285 PolarHBondContact O-N 3.5Å; P281-N285 PolarHBondContact O-ND2 2.85Å; E283-N285 VanDerWaalsContact C-N 3.29Å; E283-N285 PolarHBondContact O-N 2.88Å; N285-A288 PolarHBondContact O-N 3.32Å; N285-N289 WeakPolarHBondContact O-CB 3.41Å; N285-N289 PolarHBondContact O-N 2.91Å; N285-N289 PolarHBondContact O-ND2 3.22Å
286	A	96	Very high	93.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.1	-52.4	175.1	0	0	0	0	0	110.5	F210 V211 F214 G282 E283 A288 N289 Y290	F210-A286 HydrophobicContact CD1-CB 4.22Å; F210-A286 HydrophobicContact CE1-CB 3.95Å; F210-A286 VanDerWaalsContact CE1-O 3.26Å; F210-A286 WeakPolarHBondContact CE1-O 3.34Å; V211-A286 HydrophobicContact CB-CB 4.27Å; V211-A286 HydrophobicContact CG1-CB 4.35Å; V211-A286 HydrophobicContact CG2-CB 4.15Å; F214-A286 HydrophobicContact CB-CB 4.14Å; F214-A286 HydrophobicContact CD2-CB 3.44Å; F214-A286 VanDerWaalsContact CD2-CB 3.44Å; F214-A286 HydrophobicContact CE2-CB 4Å; F214-A286 HydrophobicContact CG-CB 3.87Å; G282-A286 WeakPolarHBondContact O-CB 3.35Å; G282-A286 PolarHBondContact O-N 3.46Å; E283-A286 PolarHBondContact O-N 3.09Å; A286-A288 VanDerWaalsContact C-N 3.28Å; A286-A288 PolarHBondContact O-N 2.92Å; A286-N289 PolarHBondContact O-N 3.25Å; A286-Y290 PolarHBondContact O-N 3.35Å
287	F	97.9	Very high	94.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-57.8	-43.1	177.7	-73.3	1	0	0	0	111.7	H206 V211 E283 L284 Y290 A291 F298 L301 L302 N314 F315 V318	H206-F287 AromaticContact CE1-CE1 3.54Å; H206-F287 AromaticContact NE2-CD1 3.79Å; H206-F287 AromaticContact NE2-CE1 3.59Å; V211-F287 HydrophobicContact CG2-CD1 4.42Å; V211-F287 HydrophobicContact CG2-CE1 3.95Å; E283-F287 HydrophobicContact CG-CD1 4.48Å; E283-F287 HydrophobicContact CG-CD2 4.47Å; E283-F287 HydrophobicContact CG-CE1 3.97Å; E283-F287 HydrophobicContact CG-CE2 4Å; E283-F287 HydrophobicContact CG-CZ 3.72Å; E283-F287 WeakPolarHBondContact O-CB 3.39Å; E283-F287 WeakPolarHBondContact O-CG 3.25Å; E283-F287 PolarHBondContact O-N 3.17Å; L284-F287 PolarHBondContact O-N 3.09Å; F287-Y290 PolarHBondContact O-N 3.25Å; F287-A291 WeakPolarHBondContact O-CB 3.39Å; F287-A291 PolarHBondContact O-N 2.68Å; F287-F298 HydrophobicContact CB-CE2 4.24Å; F287-F298 HydrophobicContact CB-CZ 3.77Å; F287-F298 HydrophobicContact CD2-CZ 4.36Å; F287-F298 HydrophobicContact CG-CE2 4.46Å; F287-F298 AromaticContact CG-CZ 3.99Å; F287-F298 HydrophobicContact CG-CZ 3.99Å; F287-L301 WeakPolarHBondContact CZ-O 3.15Å; F287-L302 HydrophobicContact CE2-CD2 4.24Å; F287-L302 HydrophobicContact CZ-CD2 4.27Å; F287-N314 HydrophobicContact CD2-CB 3.92Å; F287-N314 HydrophobicContact CE2-CB 4.02Å; F287-F315 HydrophobicContact CD2-CB 4.1Å; F287-F315 HydrophobicContact CE2-CB 3.87Å; F287-V318 HydrophobicContact CB-CB 4.39Å; F287-V318 HydrophobicContact CB-CG1 4.41Å; F287-V318 HydrophobicContact CB-CG2 3.83Å
288	A	96.8	Very high	94.8	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.6	-46.4	178.4	0	0	0	0	0	112	F257 L258 L284 N285 A286 Y290 A291 V292 V318	F257-A288 HydrophobicContact CD1-CB 4.09Å; F257-A288 HydrophobicContact CE1-CB 3.86Å; F257-A288 WeakPolarHBondContact CE1-O 3.49Å; L258-A288 HydrophobicContact CD2-CB 3.55Å; L258-A288 HydrophobicContact CG-CB 4.48Å; L284-A288 VanDerWaalsContact O-CB 3.32Å; L284-A288 WeakPolarHBondContact O-CB 3.42Å; L284-A288 PolarHBondContact O-N 2.7Å; N285-A288 PolarHBondContact O-N 3.32Å; A286-A288 VanDerWaalsContact C-N 3.28Å; A286-A288 PolarHBondContact O-N 2.92Å; A288-Y290 VanDerWaalsContact C-N 3.34Å; A288-Y290 PolarHBondContact O-N 3.19Å; A288-A291 PolarHBondContact O-N 2.78Å; A288-V292 WeakPolarHBondContact O-CG2 3.33Å; A288-V292 PolarHBondContact O-N 3.46Å; A288-V318 HydrophobicContact CB-CG2 4.23Å
289	N	96.8	Very high	95.2	Very high	49 Å²	49	32.9 Å²	32.9	26%	0.262	18%	0.176	S	C	.	.	H	α-helix	trans	-61.6	-41.5	176.8	-84.4	-91.1	0	0	0	111.9	F214 L254 N285 A286 A293	F214-N289 HydrophobicContact CE1-CB 3.91Å; F214-N289 WeakPolarHBondContact CE1-ND2 3.27Å; F214-N289 HydrophobicContact CZ-CB 3.73Å; L254-N289 WeakPolarHBondContact CD2-OD1 3.46Å; N285-N289 WeakPolarHBondContact O-CB 3.41Å; N285-N289 PolarHBondContact O-N 2.91Å; N285-N289 PolarHBondContact O-ND2 3.22Å; A286-N289 PolarHBondContact O-N 3.25Å; N289-A293 PolarHBondContact O-N 3.44Å
290	Y	97.6	Very high	95.5	Very high	49 Å²	49	32.3 Å²	32.3	19%	0.192	17%	0.173	C	C	.	.	H	α-helix	trans	-67.3	-40.3	177	-157.5	-84.1	0	0	0	112.1	H206 F210 A286 F287 A288 A293 F294 F298	H206-Y290 HydrophobicContact CB-CD2 3.75Å; H206-Y290 HydrophobicContact CB-CE2 3.47Å; H206-Y290 VanDerWaalsContact CB-CE2 3.47Å; H206-Y290 HydrophobicContact CB-CG 4.43Å; F210-Y290 HydrophobicContact CD1-CD2 4.17Å; F210-Y290 AromaticContact CE1-CD2 3.75Å; F210-Y290 HydrophobicContact CE1-CD2 3.75Å; F210-Y290 HydrophobicContact CE1-CG 4.2Å; F210-Y290 HydrophobicContact CE2-CD2 4.16Å; F210-Y290 AromaticContact CZ-CD2 3.75Å; F210-Y290 HydrophobicContact CZ-CD2 3.75Å; F210-Y290 HydrophobicContact CZ-CG 4.34Å; A286-Y290 PolarHBondContact O-N 3.35Å; F287-Y290 PolarHBondContact O-N 3.25Å; A288-Y290 VanDerWaalsContact C-N 3.34Å; A288-Y290 PolarHBondContact O-N 3.19Å; Y290-A293 PolarHBondContact O-N 2.87Å; Y290-F294 AromaticContact CD1-CD2 3.92Å; Y290-F294 HydrophobicContact CD1-CD2 3.92Å; Y290-F294 HydrophobicContact CE1-CB 4.46Å; Y290-F294 AromaticContact CE1-CD2 3.59Å; Y290-F294 HydrophobicContact CE1-CD2 3.59Å; Y290-F294 HydrophobicContact CE1-CE2 4.29Å; Y290-F294 HydrophobicContact CE1-CG 4.39Å; Y290-F294 HydrophobicContact CE2-CD2 4.18Å; Y290-F294 HydrophobicContact CE2-CE2 4.12Å; Y290-F294 HydrophobicContact CG-CD2 4.4Å; Y290-F294 AromaticContact CZ-CD2 3.74Å; Y290-F294 AromaticContact CZ-CE2 3.97Å; Y290-F294 PolarHBondContact O-N 2.87Å; Y290-F298 AromaticContact CD1-CD2 3.99Å; Y290-F298 HydrophobicContact CD1-CD2 3.99Å
291	A	97.5	Very high	95.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.9	-41	177.2	0	0	0	0	0	112.2	F257 F287 A288 A293 F294 P295 F298 V318 L322	F257-A291 HydrophobicContact CE1-CB 4.03Å; F257-A291 HydrophobicContact CZ-CB 4.05Å; F287-A291 WeakPolarHBondContact O-CB 3.39Å; F287-A291 PolarHBondContact O-N 2.68Å; A288-A291 PolarHBondContact O-N 2.78Å; A291-A293 VanDerWaalsContact C-N 3.32Å; A291-A293 PolarHBondContact O-N 3.14Å; A291-F294 CarbonylContact O-C 3.55Å; A291-F294 VanDerWaalsContact O-C 3.27Å; A291-F294 PolarHBondContact O-N 3.14Å; A291-P295 WeakPolarHBondContact O-CA 3.48Å; A291-P295 WeakPolarHBondContact O-CB 3.37Å; A291-P295 WeakPolarHBondContact O-CD 3.41Å; A291-F298 HydrophobicContact CB-CB 4.32Å; A291-F298 HydrophobicContact CB-CD1 4.06Å; A291-F298 HydrophobicContact CB-CD2 4.07Å; A291-F298 HydrophobicContact CB-CE1 4.44Å; A291-F298 HydrophobicContact CB-CE2 4.46Å; A291-F298 HydrophobicContact CB-CG 3.88Å; A291-V318 HydrophobicContact CB-CG1 3.49Å; A291-V318 VanDerWaalsContact CB-CG1 3.49Å; A291-L322 HydrophobicContact CB-CD1 3.88Å; A291-L322 HydrophobicContact CB-CD2 4.13Å; A291-L322 HydrophobicContact CB-CG 4.09Å
292	V	96.7	Very high	96.1	Very high	38 Å²	38	27.7 Å²	27.7	23%	0.23	15%	0.149	C	C	.	.	H	α-helix	trans	-64.2	-38.5	174.8	172.9	0	0	0	0	111.6	L252 L254 F257 A288	L252-V292 HydrophobicContact CD2-CG2 4.36Å; L252-V292 HydrophobicContact CG-CG1 4.5Å; L252-V292 HydrophobicContact CG-CG2 4.22Å; L254-V292 HydrophobicContact CD1-CG2 4.01Å; F257-V292 HydrophobicContact CB-CG2 4.14Å; F257-V292 HydrophobicContact CD1-CG2 3.25Å; F257-V292 HydrophobicContact CE1-CG2 3.74Å; F257-V292 HydrophobicContact CG-CG2 3.81Å; A288-V292 WeakPolarHBondContact O-CG2 3.33Å; A288-V292 PolarHBondContact O-N 3.46Å
293	A	96.3	Very high	96.2	Very high	61 Å²	61	28.5 Å²	28.5	50%	0.504	15%	0.152	S	C	.	.	H	α-helix	trans	-69.7	-35	177.3	0	0	0	0	0	112.9	N289 Y290 A291	N289-A293 PolarHBondContact O-N 3.44Å; Y290-A293 PolarHBondContact O-N 2.87Å; A291-A293 VanDerWaalsContact C-N 3.32Å; A291-A293 PolarHBondContact O-N 3.14Å
294	F	96.1	Very high	96.2	Very high	104 Å²	104	29.7 Å²	29.7	46%	0.456	16%	0.159	S	C	.	.	S	Bend	trans	-135.4	64.4	-175.2	-54.2	-69.6	0	0	0	112.5	Y290 A291 T296 K297 F298	Y290-F294 AromaticContact CD1-CD2 3.92Å; Y290-F294 HydrophobicContact CD1-CD2 3.92Å; Y290-F294 HydrophobicContact CE1-CB 4.46Å; Y290-F294 AromaticContact CE1-CD2 3.59Å; Y290-F294 HydrophobicContact CE1-CD2 3.59Å; Y290-F294 HydrophobicContact CE1-CE2 4.29Å; Y290-F294 HydrophobicContact CE1-CG 4.39Å; Y290-F294 HydrophobicContact CE2-CD2 4.18Å; Y290-F294 HydrophobicContact CE2-CE2 4.12Å; Y290-F294 HydrophobicContact CG-CD2 4.4Å; Y290-F294 AromaticContact CZ-CD2 3.74Å; Y290-F294 AromaticContact CZ-CE2 3.97Å; Y290-F294 PolarHBondContact O-N 2.87Å; A291-F294 CarbonylContact O-C 3.55Å; A291-F294 VanDerWaalsContact O-C 3.27Å; A291-F294 PolarHBondContact O-N 3.14Å; F294-T296 VanDerWaalsContact C-N 3.26Å; F294-T296 PolarHBondContact O-N 2.78Å; F294-K297 HydrophobicContact CB-CB 4.45Å; F294-K297 CarbonylContact O-C 3.52Å; F294-K297 PolarHBondContact O-N 2.9Å; F294-F298 PolarHBondContact O-N 2.6Å; F294-F298 VanDerWaalsContact O-N 3.07Å
295	P	96	Very high	96.2	Very high	23 Å²	23	33.3 Å²	33.3	15%	0.149	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-25.7	-167.4	26.5	-36	0	0	0	113.6	L252 A291 L322 Y327	L252-P295 HydrophobicContact CD2-CB 3.82Å; L252-P295 HydrophobicContact CD2-CG 4.25Å; A291-P295 WeakPolarHBondContact O-CA 3.48Å; A291-P295 WeakPolarHBondContact O-CB 3.37Å; A291-P295 WeakPolarHBondContact O-CD 3.41Å; P295-L322 HydrophobicContact CB-CD2 3.94Å; P295-Y327 HydrophobicContact CB-CD1 3.7Å; P295-Y327 HydrophobicContact CB-CD2 3.89Å; P295-Y327 HydrophobicContact CB-CE1 3.98Å; P295-Y327 HydrophobicContact CB-CE2 4.17Å; P295-Y327 HydrophobicContact CB-CG 3.64Å; P295-Y327 HydrophobicContact CG-CD1 4.11Å; P295-Y327 HydrophobicContact CG-CE1 3.91Å; P295-Y327 HydrophobicContact CG-CG 4.48Å
296	T	94.2	Very high	96.3	Very high	94 Å²	94	36 Å²	36	58%	0.577	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	-4.6	176	57.7	0	0	0	0	113.9	F294 Y327	F294-T296 VanDerWaalsContact C-N 3.26Å; F294-T296 PolarHBondContact O-N 2.78Å; T296-Y327 HydrophobicContact CG2-CD1 3.82Å; T296-Y327 HydrophobicContact CG2-CE1 4.1Å
297	K	94.1	Very high	96.4	Very high	146 Å²	146	36.6 Å²	36.6	64%	0.635	19%	0.191	S	C	*	.	S	Bend	trans	-133.8	24.2	-176	-65.9	-167	176.4	-176.1	0	113.8	F294 L299 I330	F294-K297 HydrophobicContact CB-CB 4.45Å; F294-K297 CarbonylContact O-C 3.52Å; F294-K297 PolarHBondContact O-N 2.9Å; K297-L299 PolarHBondContact O-N 2.72Å; K297-I330 HydrophobicContact CB-CD1 4.03Å; K297-I330 HydrophobicContact CG-CD1 4.16Å
298	F	97.5	Very high	96.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.203	C	C	.	.			trans	-71.1	120	-179.1	177.3	-128.8	0	0	0	111.1	F287 Y290 A291 F294 F315 V318 L322 A329 I330	F287-F298 HydrophobicContact CB-CE2 4.24Å; F287-F298 HydrophobicContact CB-CZ 3.77Å; F287-F298 HydrophobicContact CD2-CZ 4.36Å; F287-F298 HydrophobicContact CG-CE2 4.46Å; F287-F298 AromaticContact CG-CZ 3.99Å; F287-F298 HydrophobicContact CG-CZ 3.99Å; Y290-F298 AromaticContact CD1-CD2 3.99Å; Y290-F298 HydrophobicContact CD1-CD2 3.99Å; A291-F298 HydrophobicContact CB-CB 4.32Å; A291-F298 HydrophobicContact CB-CD1 4.06Å; A291-F298 HydrophobicContact CB-CD2 4.07Å; A291-F298 HydrophobicContact CB-CE1 4.44Å; A291-F298 HydrophobicContact CB-CE2 4.46Å; A291-F298 HydrophobicContact CB-CG 3.88Å; F294-F298 PolarHBondContact O-N 2.6Å; F294-F298 VanDerWaalsContact O-N 3.07Å; F298-F315 HydrophobicContact CD1-CD2 4.42Å; F298-F315 HydrophobicContact CD1-CE2 4.08Å; F298-F315 AromaticContact CE1-CD2 3.54Å; F298-F315 HydrophobicContact CE1-CD2 3.54Å; F298-F315 AromaticContact CE1-CE2 3.64Å; F298-F315 HydrophobicContact CE1-CE2 3.64Å; F298-F315 AromaticContact CZ-CD2 3.83Å; F298-F315 HydrophobicContact CZ-CD2 3.83Å; F298-F315 HydrophobicContact CZ-CE2 4.25Å; F298-V318 HydrophobicContact CD1-CG1 4.1Å; F298-V318 HydrophobicContact CE1-CB 4.1Å; F298-V318 HydrophobicContact CE1-CG1 3.52Å; F298-V318 HydrophobicContact CZ-CB 4.49Å; F298-V318 HydrophobicContact CZ-CG1 3.93Å; F298-L322 HydrophobicContact CB-CD1 3.89Å; F298-L322 HydrophobicContact CD1-CD1 3.79Å; F298-L322 HydrophobicContact CG-CD1 4.18Å; F298-A329 HydrophobicContact CB-CB 4.49Å; F298-A329 HydrophobicContact CD1-CB 3.82Å; F298-I330 PolarHBondContact O-N 2.93Å
299	L	97.4	Very high	96.2	Very high	12 Å²	12	43.8 Å²	43.8	6%	0.063	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	116.2	173.6	-169.2	161.5	0	0	0	109	T205 H206 K297 I330 G331 R333 L368	T205-L299 HydrophobicContact CG2-CD1 4.44Å; T205-L299 HydrophobicContact CG2-CD2 3.62Å; H206-L299 PolarHBondContact CD2-O 3.39Å; K297-L299 PolarHBondContact O-N 2.72Å; L299-I330 HydrophobicContact CD1-CG2 4.2Å; L299-G331 VanDerWaalsContact CA-O 3.24Å; L299-G331 WeakPolarHBondContact CA-O 3.49Å; L299-R333 HydrophobicContact CD2-CB 3.66Å; L299-L368 HydrophobicContact CD1-CD1 4.2Å; L299-L368 HydrophobicContact CD1-CD2 3.78Å
300	G	97.5	Very high	96.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	130.4	-173	0	0	0	0	0	113.9	G331 I332 R333	G300-G331 PolarHBondContact N-O 3.35Å; G300-I332 CarbonylContact O-C 3.47Å; G300-I332 WeakPolarHBondContact O-CA 3.49Å; G300-R333 PolarHBondContact O-N 2.96Å
301	L	97.8	Very high	96.1	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	112.3	170.1	178.4	64.5	0	0	0	110.1	H206 F287 D303 R333 D335	H206-L301 VanDerWaalsContact CE1-CB 3.45Å; H206-L301 WeakPolarHBondContact CE1-CB 3.45Å; H206-L301 PolarHBondContact CE1-N 2.91Å; H206-L301 VanDerWaalsContact CE1-N 3.33Å; H206-L301 PolarHBondContact NE2-N 2.99Å; F287-L301 WeakPolarHBondContact CZ-O 3.15Å; L301-D303 VanDerWaalsContact CD1-OD1 3.23Å; L301-D303 WeakPolarHBondContact CD1-OD1 3.31Å; L301-R333 WeakPolarHBondContact CA-O 3.31Å; L301-R333 HydrophobicContact CD1-CB 4.15Å; L301-R333 HydrophobicContact CD1-CG 3.89Å; L301-D335 HydrophobicContact CD1-CB 3.93Å
302	L	97.2	Very high	96.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.206	C	C	.	.			trans	-87.8	-18.3	-162.8	-55	-169	0	0	0	115.7	F287 D306 V307 G311 L312 F315 I332 R333 I346	F287-L302 HydrophobicContact CE2-CD2 4.24Å; F287-L302 HydrophobicContact CZ-CD2 4.27Å; L302-D306 CarbonylContact O-C 3.57Å; L302-V307 HydrophobicContact CB-CG1 4.14Å; L302-V307 HydrophobicContact CD1-CG1 4.27Å; L302-V307 WeakPolarHBondContact O-CA 3.32Å; L302-G311 WeakPolarHBondContact O-CA 3.32Å; L302-L312 HydrophobicContact CD1-CB 4.26Å; L302-F315 HydrophobicContact CD2-CB 3.74Å; L302-F315 HydrophobicContact CD2-CG 4.26Å; L302-I332 HydrophobicContact CD1-CB 3.89Å; L302-I332 HydrophobicContact CD1-CD1 3.89Å; L302-I332 HydrophobicContact CD1-CG1 4Å; L302-I332 HydrophobicContact CD1-CG2 4.03Å; L302-I332 HydrophobicContact CD2-CB 4.09Å; L302-I332 HydrophobicContact CD2-CG2 3.78Å; L302-I332 HydrophobicContact CG-CB 3.92Å; L302-I332 HydrophobicContact CG-CD1 4.44Å; L302-I332 HydrophobicContact CG-CG2 4.13Å; L302-R333 PolarHBondContact N-O 3.49Å; L302-R333 VanDerWaalsContact N-O 3.1Å; L302-I346 HydrophobicContact CD1-CD1 3.87Å
303	D	94.5	Very high	96.2	Very high	20 Å²	20	37.9 Å²	37.9	11%	0.107	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	28.9	-167.8	64.4	-39.1	0	0	0	114	H208 L301 V307 D335 S336	H208-D303 IonicContact CE1-OD1 2.7Å; H208-D303 PolarHBondContact CE1-OD1 2.92Å; H208-D303 VanDerWaalsContact CE1-OD1 3.28Å; H208-D303 IonicContact NE2-OD1 3.09Å; L301-D303 VanDerWaalsContact CD1-OD1 3.23Å; L301-D303 WeakPolarHBondContact CD1-OD1 3.31Å; D303-V307 HydrophobicContact CB-CG2 3.48Å; D303-V307 VanDerWaalsContact CB-CG2 3.48Å; D303-D335 PolarHBondContact OD1-N 2.89Å; D303-D335 VanDerWaalsContact OD2-CA 3.28Å; D303-D335 WeakPolarHBondContact OD2-CA 3.32Å; D303-D335 VanDerWaalsContact OD2-CB 3.26Å; D303-D335 WeakPolarHBondContact OD2-CB 3.36Å; D303-D335 PolarHBondContact OD2-N 3.29Å; D303-S336 WeakPolarHBondContact CB-OG 3.18Å; D303-S336 VanDerWaalsContact OD2-CB 3.3Å; D303-S336 WeakPolarHBondContact OD2-CB 3.41Å; D303-S336 PolarHBondContact OD2-N 2.73Å; D303-S336 PolarHBondContact OD2-OG 3.15Å
304	T	94.7	Very high	96.2	Very high	26 Å²	26	35 Å²	35	16%	0.16	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-38.6	172.9	-53.5	0	0	0	0	111.6	H208 V211	H208-T304 HydrophobicContact CB-CG2 4.28Å; H208-T304 WeakPolarHBondContact ND1-CA 3.43Å; H208-T304 PolarHBondContact ND1-OG1 3.26Å; V211-T304 HydrophobicContact CB-CG2 3.87Å; V211-T304 HydrophobicContact CG1-CG2 3.63Å
305	Y	94.3	Very high	96.3	Very high	75 Å²	75	30 Å²	30	29%	0.294	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-55.7	175.7	-55.9	-76.3	0	0	0	112.1	V211 Q215 H280 E283	V211-Y305 HydrophobicContact CG1-CD2 4.5Å; V211-Y305 HydrophobicContact CG1-CE2 3.73Å; Q215-Y305 VanDerWaalsContact CD-OH 3.31Å; Q215-Y305 WeakPolarHBondContact CG-OH 3.12Å; Q215-Y305 VanDerWaalsContact NE2-CE1 3.29Å; Q215-Y305 PolarHBondContact NE2-OH 3.42Å; H280-Y305 HydrophobicContact CB-CD2 3.65Å; H280-Y305 HydrophobicContact CB-CE2 3.93Å; H280-Y305 HydrophobicContact CB-CG 4.11Å; H280-Y305 AromaticContact CD2-CD1 3.82Å; H280-Y305 AromaticContact CD2-CE1 3.62Å; H280-Y305 AromaticContact CD2-CE2 3.88Å; H280-Y305 AromaticContact CD2-CZ 3.66Å; H280-Y305 AromaticContact CE1-CE2 3.94Å; H280-Y305 AromaticContact CE1-CZ 3.55Å; H280-Y305 PolarHBondContact CE1-OH 3.2Å; H280-Y305 AromaticContact CG-CD2 3.68Å; H280-Y305 AromaticContact CG-CE2 3.5Å; H280-Y305 VanDerWaalsContact CG-CE2 3.5Å; H280-Y305 AromaticContact CG-CZ 3.72Å; H280-Y305 AromaticContact ND1-CE2 3.53Å; H280-Y305 AromaticContact ND1-CZ 3.65Å; H280-Y305 AromaticContact NE2-CE1 3.64Å; H280-Y305 AromaticContact NE2-CZ 3.56Å; E283-Y305 HydrophobicContact CB-CD2 4.02Å; E283-Y305 HydrophobicContact CB-CE2 3.89Å; E283-Y305 HydrophobicContact CG-CD2 4.42Å
306	D	95.8	Very high	96.4	Very high	57 Å²	57	29 Å²	29	31%	0.305	14%	0.142	S	C	.	.			trans	-159.6	128.3	176.5	-175.4	-60.8	0	0	0	109	L302 L308 K309 S310 G311	L302-D306 CarbonylContact O-C 3.57Å; D306-L308 PolarHBondContact O-N 3.05Å; D306-L308 PolarHBondContact OD1-N 3.44Å; D306-K309 HydrophobicContact CB-CB 4.09Å; D306-K309 WeakPolarHBondContact OD1-CB 3.36Å; D306-K309 PolarHBondContact OD1-N 2.71Å; D306-K309 WeakPolarHBondContact OD2-CD 3.45Å; D306-K309 IonicContact OD2-NZ 3.77Å; D306-S310 PolarHBondContact O-N 2.98Å; D306-G311 PolarHBondContact O-N 2.92Å
307	V	97	Very high	96.6	Very high	13 Å²	13	24.5 Å²	24.5	8%	0.079	12%	0.115	C	C	.	.	I	π-helix	trans	-58.1	-45.6	-176.4	177.8	0	0	0	0	112.6	L302 D303 L312 I334 L342 I346	L302-V307 HydrophobicContact CB-CG1 4.14Å; L302-V307 HydrophobicContact CD1-CG1 4.27Å; L302-V307 WeakPolarHBondContact O-CA 3.32Å; D303-V307 HydrophobicContact CB-CG2 3.48Å; D303-V307 VanDerWaalsContact CB-CG2 3.48Å; V307-L312 VanDerWaalsContact O-CB 3.23Å; V307-L312 WeakPolarHBondContact O-CB 3.19Å; V307-L312 PolarHBondContact O-N 3.17Å; V307-I334 HydrophobicContact CG1-CG2 4.46Å; V307-I334 HydrophobicContact CG2-CG2 4.13Å; V307-L342 HydrophobicContact CB-CD1 4.42Å; V307-L342 HydrophobicContact CB-CD2 4.09Å; V307-L342 HydrophobicContact CG1-CD1 4.26Å; V307-L342 HydrophobicContact CG1-CD2 3.86Å; V307-L342 HydrophobicContact CG1-CG 4.45Å; V307-L342 HydrophobicContact CG2-CD1 4.13Å; V307-I346 HydrophobicContact CG1-CD1 3.87Å
308	L	96.1	Very high	96.8	Very high	45 Å²	45	17.5 Å²	17.5	24%	0.236	9%	0.085	C	C	.	.	I	π-helix	trans	-98.4	-34.9	-168.9	-64.5	-178.3	0	0	0	112.5	D306 L312 P313 Y341 L342 T345 I346	D306-L308 PolarHBondContact O-N 3.05Å; D306-L308 PolarHBondContact OD1-N 3.44Å; L308-L312 HydrophobicContact CD2-CD2 4.12Å; L308-P313 WeakPolarHBondContact O-CD 3.19Å; L308-Y341 HydrophobicContact CD1-CE1 4.03Å; L308-L342 HydrophobicContact CD1-CD2 3.84Å; L308-L342 HydrophobicContact CD2-CD2 3.98Å; L308-L342 HydrophobicContact CG-CD2 3.7Å; L308-T345 HydrophobicContact CD1-CG2 4.04Å; L308-T345 HydrophobicContact CD2-CG2 3.77Å; L308-I346 HydrophobicContact CD2-CG1 4.17Å
309	K	94.6	Very high	96.8	Very high	107 Å²	107	17.5 Å²	17.5	47%	0.465	9%	0.085	S	C	.	.	I	π-helix	trans	-86.7	-27.7	-174.3	-65.1	178.9	-168	153.9	0	113.3	Q278 D306	Q278-K309 CarbonylContact C-O 3.52Å; Q278-K309 HydrophobicContact CB-CB 4.23Å; D306-K309 HydrophobicContact CB-CB 4.09Å; D306-K309 WeakPolarHBondContact OD1-CB 3.36Å; D306-K309 PolarHBondContact OD1-N 2.71Å; D306-K309 WeakPolarHBondContact OD2-CD 3.45Å; D306-K309 IonicContact OD2-NZ 3.77Å
310	S	95.4	Very high	96.8	Very high	2 Å²	2	17 Å²	17	1%	0.014	8%	0.082	C	C	.	.	I	π-helix	trans	-123.1	-57.7	-177.9	-173.8	0	0	0	0	111.7	H280 E283 D306 P313 N314	H280-S310 WeakPolarHBondContact CB-OG 3.28Å; H280-S310 PolarHBondContact N-OG 3.22Å; E283-S310 VanDerWaalsContact OE2-CB 3.27Å; E283-S310 WeakPolarHBondContact OE2-CB 3.49Å; E283-S310 PolarHBondContact OE2-OG 3.44Å; D306-S310 PolarHBondContact O-N 2.98Å; S310-P313 WeakPolarHBondContact O-CD 3.45Å; S310-N314 VanDerWaalsContact O-CB 3.25Å; S310-N314 WeakPolarHBondContact O-CB 3.22Å; S310-N314 PolarHBondContact O-N 3.14Å; S310-N314 PolarHBondContact O-ND2 2.56Å; S310-N314 PolarHBondContact OG-ND2 3.48Å
311	G	97.3	Very high	96.8	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.082	C	C	.	.	I	π-helix	trans	-59.9	-55.9	-172.5	0	0	0	0	0	113	E283 L302 D306 N314 F315	E283-G311 VanDerWaalsContact OE2-CA 3.32Å; E283-G311 WeakPolarHBondContact OE2-CA 3.27Å; E283-G311 PolarHBondContact OE2-N 3.3Å; E283-G311 VanDerWaalsContact OE2-N 3.11Å; L302-G311 WeakPolarHBondContact O-CA 3.32Å; D306-G311 PolarHBondContact O-N 2.92Å; G311-N314 PolarHBondContact O-N 3.24Å; G311-F315 VanDerWaalsContact O-CB 3.31Å; G311-F315 WeakPolarHBondContact O-CB 3.26Å; G311-F315 PolarHBondContact O-N 3.41Å
312	L	98	Very high	96.8	Very high	9 Å²	9	16.9 Å²	16.9	5%	0.047	8%	0.082	C	C	.	.	H	α-helix	trans	-59.4	-51.4	-179	172.6	65.9	0	0	0	112.6	L302 V307 L308 N314 F315 C316 I346 A349 F350	L302-L312 HydrophobicContact CD1-CB 4.26Å; V307-L312 VanDerWaalsContact O-CB 3.23Å; V307-L312 WeakPolarHBondContact O-CB 3.19Å; V307-L312 PolarHBondContact O-N 3.17Å; L308-L312 HydrophobicContact CD2-CD2 4.12Å; L312-N314 PolarHBondContact O-N 3.33Å; L312-F315 PolarHBondContact O-N 2.88Å; L312-C316 WeakPolarHBondContact O-CB 3.38Å; L312-C316 PolarHBondContact O-N 3.47Å; L312-C316 PolarHBondContact O-SG 2.82Å; L312-C316 VanDerWaalsContact O-SG 3.32Å; L312-I346 HydrophobicContact CD1-CG1 4.22Å; L312-I346 HydrophobicContact CD1-CG2 4.05Å; L312-I346 HydrophobicContact CD2-CG1 4.06Å; L312-A349 HydrophobicContact CD1-CB 4.44Å; L312-A349 HydrophobicContact CD2-CB 3.84Å; L312-F350 HydrophobicContact CD1-CD1 4.4Å; L312-F350 HydrophobicContact CD1-CE1 3.77Å; L312-F350 HydrophobicContact CD1-CZ 4.49Å
313	P	97.6	Very high	96.8	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.006	9%	0.092	C	C	.	.	H	α-helix	trans	-54.1	-48.8	173.6	-31.4	37.2	0	0	0	113.8	Y274 I279 L308 S310 F315 C316 A317	Y274-P313 HydrophobicContact CD1-CB 4.02Å; Y274-P313 HydrophobicContact CD1-CG 3.76Å; Y274-P313 HydrophobicContact CD2-CB 4.44Å; Y274-P313 HydrophobicContact CD2-CG 4.48Å; Y274-P313 HydrophobicContact CE1-CB 3.63Å; Y274-P313 HydrophobicContact CE1-CG 3.9Å; Y274-P313 HydrophobicContact CE2-CB 4.12Å; Y274-P313 HydrophobicContact CG-CB 4.4Å; Y274-P313 HydrophobicContact CG-CG 4.07Å; I279-P313 HydrophobicContact CG2-CB 3.73Å; I279-P313 HydrophobicContact CG2-CG 4.3Å; L308-P313 WeakPolarHBondContact O-CD 3.19Å; S310-P313 WeakPolarHBondContact O-CD 3.45Å; P313-F315 PolarHBondContact O-N 3.36Å; P313-C316 PolarHBondContact O-N 3.48Å; P313-A317 WeakPolarHBondContact O-CB 3.15Å; P313-A317 PolarHBondContact O-N 2.96Å
314	N	97.5	Very high	96.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64.1	-42.9	-178.2	-73.4	-28.3	0	0	0	111.7	H280 E283 L284 F287 S310 G311 L312 A317 V318	H280-N314 PolarHBondContact O-ND2 3.42Å; E283-N314 PolarHBondContact OE2-ND2 2.81Å; L284-N314 HydrophobicContact CB-CB 4.33Å; L284-N314 HydrophobicContact CD1-CB 4.02Å; F287-N314 HydrophobicContact CD2-CB 3.92Å; F287-N314 HydrophobicContact CE2-CB 4.02Å; S310-N314 VanDerWaalsContact O-CB 3.25Å; S310-N314 WeakPolarHBondContact O-CB 3.22Å; S310-N314 PolarHBondContact O-N 3.14Å; S310-N314 PolarHBondContact O-ND2 2.56Å; S310-N314 PolarHBondContact OG-ND2 3.48Å; G311-N314 PolarHBondContact O-N 3.24Å; L312-N314 PolarHBondContact O-N 3.33Å; N314-A317 PolarHBondContact O-N 3.11Å; N314-V318 VanDerWaalsContact O-CG2 3.32Å; N314-V318 WeakPolarHBondContact O-CG2 3.25Å; N314-V318 PolarHBondContact O-N 3.06Å; N314-V318 VanDerWaalsContact O-N 3.1Å
315	F	98.4	Very high	97	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62	-47.9	176.1	168	-95	0	0	0	111.4	F287 F298 L302 G311 L312 P313 A317 V318 A319 A329 G331 I332 F350 L365	F287-F315 HydrophobicContact CD2-CB 4.1Å; F287-F315 HydrophobicContact CE2-CB 3.87Å; F298-F315 HydrophobicContact CD1-CD2 4.42Å; F298-F315 HydrophobicContact CD1-CE2 4.08Å; F298-F315 AromaticContact CE1-CD2 3.54Å; F298-F315 HydrophobicContact CE1-CD2 3.54Å; F298-F315 AromaticContact CE1-CE2 3.64Å; F298-F315 HydrophobicContact CE1-CE2 3.64Å; F298-F315 AromaticContact CZ-CD2 3.83Å; F298-F315 HydrophobicContact CZ-CD2 3.83Å; F298-F315 HydrophobicContact CZ-CE2 4.25Å; L302-F315 HydrophobicContact CD2-CB 3.74Å; L302-F315 HydrophobicContact CD2-CG 4.26Å; G311-F315 VanDerWaalsContact O-CB 3.31Å; G311-F315 WeakPolarHBondContact O-CB 3.26Å; G311-F315 PolarHBondContact O-N 3.41Å; L312-F315 PolarHBondContact O-N 2.88Å; P313-F315 PolarHBondContact O-N 3.36Å; F315-A317 VanDerWaalsContact C-N 3.31Å; F315-A317 PolarHBondContact O-N 3.34Å; F315-V318 PolarHBondContact O-N 3.12Å; F315-A319 HydrophobicContact CE1-CB 4.32Å; F315-A319 HydrophobicContact CZ-CB 4.25Å; F315-A319 WeakPolarHBondContact O-CB 3.22Å; F315-A319 PolarHBondContact O-N 3.41Å; F315-A329 HydrophobicContact CE2-CB 4Å; F315-A329 HydrophobicContact CZ-CB 3.89Å; F315-G331 WeakPolarHBondContact CE2-O 3.38Å; F315-G331 WeakPolarHBondContact CZ-O 3.34Å; F315-I332 HydrophobicContact CB-CG2 4.33Å; F315-I332 HydrophobicContact CD1-CG2 3.35Å; F315-I332 HydrophobicContact CD2-CG2 3.58Å; F315-I332 HydrophobicContact CE1-CG2 3.39Å; F315-I332 HydrophobicContact CE2-CG2 3.62Å; F315-I332 HydrophobicContact CG-CG2 3.44Å; F315-I332 VanDerWaalsContact CG-CG2 3.44Å; F315-I332 HydrophobicContact CZ-CG2 3.53Å; F315-F350 HydrophobicContact CD1-CE1 4.06Å; F315-F350 HydrophobicContact CD1-CZ 4.21Å; F315-F350 AromaticContact CE1-CE1 3.78Å; F315-F350 HydrophobicContact CE1-CE1 3.78Å; F315-F350 AromaticContact CE1-CZ 3.71Å; F315-F350 HydrophobicContact CE1-CZ 3.71Å; F315-L365 HydrophobicContact CE1-CD1 3.9Å; F315-L365 HydrophobicContact CZ-CD1 4.15Å; F315-L365 HydrophobicContact CZ-CD2 4.26Å
316	C	98.3	Very high	97.1	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-61.7	-40.2	-179.8	-72.8	0	0	0	0	111.8	L268 L312 P313 A319 L320 I353 F362	L268-C316 HydrophobicContact CD1-CB 3.57Å; L312-C316 WeakPolarHBondContact O-CB 3.38Å; L312-C316 PolarHBondContact O-N 3.47Å; L312-C316 PolarHBondContact O-SG 2.82Å; L312-C316 VanDerWaalsContact O-SG 3.32Å; P313-C316 PolarHBondContact O-N 3.48Å; C316-A319 PolarHBondContact O-N 3.48Å; C316-L320 WeakPolarHBondContact O-CG 3.46Å; C316-L320 PolarHBondContact O-N 2.99Å; C316-I353 HydrophobicContact CB-CD1 3.75Å; C316-I353 VanDerWaalsContact SG-CD1 3.56Å; C316-F362 HydrophobicContact CB-CZ 4.17Å
317	A	97.1	Very high	97.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.1	-43.6	176.7	0	0	0	0	0	112.2	W264 L268 L284 P313 N314 F315 A321	W264-A317 HydrophobicContact CB-CB 3.97Å; L268-A317 HydrophobicContact CD1-CB 4.17Å; L284-A317 HydrophobicContact CD1-CB 3.94Å; P313-A317 WeakPolarHBondContact O-CB 3.15Å; P313-A317 PolarHBondContact O-N 2.96Å; N314-A317 PolarHBondContact O-N 3.11Å; F315-A317 VanDerWaalsContact C-N 3.31Å; F315-A317 PolarHBondContact O-N 3.34Å; A317-A321 WeakPolarHBondContact O-CB 3.38Å; A317-A321 PolarHBondContact O-N 3.18Å
318	V	98.3	Very high	97.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-69	-38.1	176.8	173.2	0	0	0	0	111.5	F257 C261 L284 F287 A288 A291 F298 N314 F315 A321 L322	F257-V318 HydrophobicContact CE1-CG1 4.26Å; F257-V318 HydrophobicContact CZ-CG1 4Å; C261-V318 HydrophobicContact CB-CG2 4.32Å; L284-V318 HydrophobicContact CD1-CG2 3.87Å; F287-V318 HydrophobicContact CB-CB 4.39Å; F287-V318 HydrophobicContact CB-CG1 4.41Å; F287-V318 HydrophobicContact CB-CG2 3.83Å; A288-V318 HydrophobicContact CB-CG2 4.23Å; A291-V318 HydrophobicContact CB-CG1 3.49Å; A291-V318 VanDerWaalsContact CB-CG1 3.49Å; F298-V318 HydrophobicContact CD1-CG1 4.1Å; F298-V318 HydrophobicContact CE1-CB 4.1Å; F298-V318 HydrophobicContact CE1-CG1 3.52Å; F298-V318 HydrophobicContact CZ-CB 4.49Å; F298-V318 HydrophobicContact CZ-CG1 3.93Å; N314-V318 VanDerWaalsContact O-CG2 3.32Å; N314-V318 WeakPolarHBondContact O-CG2 3.25Å; N314-V318 PolarHBondContact O-N 3.06Å; N314-V318 VanDerWaalsContact O-N 3.1Å; F315-V318 PolarHBondContact O-N 3.12Å; V318-A321 PolarHBondContact O-N 3.02Å; V318-L322 PolarHBondContact O-N 3.04Å
319	A	98.4	Very high	97.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-67.1	-39	178.1	0	0	0	0	0	112.5	F315 C316 L322 H323 A329 F362	F315-A319 HydrophobicContact CE1-CB 4.32Å; F315-A319 HydrophobicContact CZ-CB 4.25Å; F315-A319 WeakPolarHBondContact O-CB 3.22Å; F315-A319 PolarHBondContact O-N 3.41Å; C316-A319 PolarHBondContact O-N 3.48Å; A319-L322 PolarHBondContact O-N 3.04Å; A319-H323 PolarHBondContact O-N 2.65Å; A319-A329 HydrophobicContact CB-CB 3.98Å; A319-F362 HydrophobicContact CB-CE2 3.81Å; A319-F362 HydrophobicContact CB-CZ 4.05Å
320	L	97.8	Very high	97.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-68.6	-41.1	172.9	-72.3	176.6	0	0	0	111.7	L244 W264 L268 C316 L322 H323 E324 I353 Y357 L359 F362	L244-L320 HydrophobicContact CD2-CD2 4.48Å; W264-L320 HydrophobicContact CB-CB 4.39Å; W264-L320 HydrophobicContact CD2-CB 3.7Å; W264-L320 HydrophobicContact CD2-CD1 3.87Å; W264-L320 HydrophobicContact CD2-CG 4.42Å; W264-L320 HydrophobicContact CE3-CB 4.23Å; W264-L320 HydrophobicContact CE3-CD1 3.51Å; W264-L320 HydrophobicContact CE3-CG 4.48Å; W264-L320 HydrophobicContact CG-CB 3.74Å; W264-L320 HydrophobicContact CG-CD1 4.38Å; W264-L320 HydrophobicContact CZ3-CD1 3.97Å; L268-L320 HydrophobicContact CD1-CD1 3.92Å; L268-L320 HydrophobicContact CD2-CD1 3.88Å; L268-L320 HydrophobicContact CG-CD1 4.01Å; C316-L320 WeakPolarHBondContact O-CG 3.46Å; C316-L320 PolarHBondContact O-N 2.99Å; L320-L322 VanDerWaalsContact C-N 3.33Å; L320-L322 PolarHBondContact O-N 3.03Å; L320-H323 VanDerWaalsContact O-CB 3.29Å; L320-H323 WeakPolarHBondContact O-CB 3.49Å; L320-H323 PolarHBondContact O-N 3.47Å; L320-H323 VanDerWaalsContact O-N 3.14Å; L320-E324 PolarHBondContact O-N 3.43Å; L320-E324 VanDerWaalsContact O-N 3.17Å; L320-I353 HydrophobicContact CD1-CG2 4.32Å; L320-I353 HydrophobicContact CD2-CG2 4.07Å; L320-Y357 HydrophobicContact CD1-CD2 4.35Å; L320-Y357 HydrophobicContact CD1-CE2 4.1Å; L320-L359 HydrophobicContact CD2-CD1 3.54Å; L320-F362 HydrophobicContact CD2-CD2 4.15Å; L320-F362 HydrophobicContact CD2-CE2 3.82Å; L320-F362 HydrophobicContact CG-CE2 3.97Å; L320-F362 HydrophobicContact CG-CZ 4.49Å
321	A	96.9	Very high	97.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-58.5	-45.6	172.2	0	0	0	0	0	110.9	F257 R260 A317 V318 H323 E324 F325	F257-A321 HydrophobicContact CD2-CB 4.05Å; F257-A321 HydrophobicContact CE2-CB 3.51Å; F257-A321 HydrophobicContact CZ-CB 4.01Å; R260-A321 HydrophobicContact CB-CB 3.91Å; A317-A321 WeakPolarHBondContact O-CB 3.38Å; A317-A321 PolarHBondContact O-N 3.18Å; V318-A321 PolarHBondContact O-N 3.02Å; A321-H323 PolarHBondContact O-N 3.04Å; A321-E324 PolarHBondContact O-N 2.82Å; A321-F325 WeakPolarHBondContact O-CD2 3.47Å; A321-F325 PolarHBondContact O-N 3.47Å
322	L	97.4	Very high	97.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-58.5	-38	176.3	-84	-179.8	0	0	0	112.1	L252 F257 A291 P295 F298 V318 A319 L320 F325 G326 Y327	L252-L322 HydrophobicContact CD2-CD2 4.27Å; F257-L322 HydrophobicContact CE2-CD2 3.89Å; F257-L322 HydrophobicContact CE2-CG 4.06Å; F257-L322 HydrophobicContact CZ-CD2 3.82Å; F257-L322 HydrophobicContact CZ-CG 3.82Å; A291-L322 HydrophobicContact CB-CD1 3.88Å; A291-L322 HydrophobicContact CB-CD2 4.13Å; A291-L322 HydrophobicContact CB-CG 4.09Å; P295-L322 HydrophobicContact CB-CD2 3.94Å; F298-L322 HydrophobicContact CB-CD1 3.89Å; F298-L322 HydrophobicContact CD1-CD1 3.79Å; F298-L322 HydrophobicContact CG-CD1 4.18Å; V318-L322 PolarHBondContact O-N 3.04Å; A319-L322 PolarHBondContact O-N 3.04Å; L320-L322 VanDerWaalsContact C-N 3.33Å; L320-L322 PolarHBondContact O-N 3.03Å; L322-F325 CarbonylContact O-C 3.56Å; L322-F325 PolarHBondContact O-N 3.41Å; L322-F325 VanDerWaalsContact O-N 3.15Å; L322-G326 PolarHBondContact O-N 3.46Å; L322-G326 VanDerWaalsContact O-N 3.17Å; L322-Y327 CarbonylContact C-O 3.54Å; L322-Y327 HydrophobicContact CD2-CD2 4.49Å; L322-Y327 PolarHBondContact O-N 3.34Å
323	H	97.3	Very high	97.5	Very high	47 Å²	47	17.9 Å²	17.9	22%	0.218	10%	0.095	C	C	.	.	H	α-helix	trans	-61.1	-42.9	178.2	-174.7	66.1	0	0	0	112.7	A319 L320 A321 F325 G326 Y327 L359 W361	A319-H323 PolarHBondContact O-N 2.65Å; L320-H323 VanDerWaalsContact O-CB 3.29Å; L320-H323 WeakPolarHBondContact O-CB 3.49Å; L320-H323 PolarHBondContact O-N 3.47Å; L320-H323 VanDerWaalsContact O-N 3.14Å; A321-H323 PolarHBondContact O-N 3.04Å; H323-F325 PolarHBondContact O-N 2.92Å; H323-G326 PolarHBondContact O-N 2.92Å; H323-Y327 VanDerWaalsContact CA-O 3.28Å; H323-Y327 WeakPolarHBondContact CA-O 3.29Å; H323-Y327 PolarHBondContact N-O 2.84Å; H323-L359 WeakPolarHBondContact NE2-CD2 3.47Å; H323-W361 HydrophobicContact CB-CZ2 3.82Å; H323-W361 AromaticContact CE1-NE1 3.47Å; H323-W361 PolarHBondContact CE1-NE1 2.85Å; H323-W361 AromaticContact CG-CZ2 3.83Å; H323-W361 AromaticContact ND1-CE2 3.59Å; H323-W361 AromaticContact ND1-CZ2 3.54Å; H323-W361 AromaticContact ND1-NE1 3.22Å; H323-W361 PolarHBondContact ND1-NE1 3.41Å
324	E	96.7	Very high	97.5	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-60	-31.2	176.9	-64	-175.9	131.5	0	0	111.8	L244 L245 L247 N248 R260 W264 L320 A321	L244-E324 HydrophobicContact CD2-CG 4.21Å; L245-E324 HydrophobicContact CB-CG 4.45Å; L245-E324 PolarHBondContact N-OE1 3.13Å; L245-E324 VanDerWaalsContact O-CA 3.32Å; L245-E324 WeakPolarHBondContact O-CA 3.32Å; L245-E324 VanDerWaalsContact O-CB 3.28Å; L245-E324 WeakPolarHBondContact O-CB 3.18Å; L245-E324 WeakPolarHBondContact O-CG 3.4Å; L247-E324 CarbonylContact C-O 3.59Å; L247-E324 VanDerWaalsContact C-O 3.28Å; L247-E324 WeakPolarHBondContact CA-O 3.41Å; L247-E324 VanDerWaalsContact CB-O 3.28Å; L247-E324 WeakPolarHBondContact CB-O 3.39Å; L247-E324 HydrophobicContact CD1-CB 4.21Å; L247-E324 HydrophobicContact CG-CB 4.33Å; L247-E324 PolarHBondContact N-O 3.41Å; N248-E324 PolarHBondContact N-O 3.31Å; N248-E324 PolarHBondContact OD1-O 3.05Å; R260-E324 IonicContact CZ-OE1 2.81Å; R260-E324 IonicContact CZ-OE2 3.62Å; R260-E324 IonicContact NE-OE1 3.29Å; R260-E324 IonicContact NE-OE2 3.77Å; R260-E324 PolarHBondContact NE-OE2 2.77Å; R260-E324 IonicContact NH2-OE1 3.86Å; R260-E324 PolarHBondContact NH2-OE1 2.85Å; R260-E324 IonicContact NH2-OE2 3.64Å; R260-E324 PolarHBondContact NH2-OE2 3.01Å; W264-E324 HydrophobicContact CZ2-CG 4.39Å; W264-E324 VanDerWaalsContact CZ2-OE1 3.32Å; W264-E324 WeakPolarHBondContact CZ2-OE1 3.36Å; W264-E324 PolarHBondContact NE1-OE1 3.33Å; W264-E324 PolarHBondContact NE1-OE2 3.14Å; L320-E324 PolarHBondContact O-N 3.43Å; L320-E324 VanDerWaalsContact O-N 3.17Å; A321-E324 PolarHBondContact O-N 2.82Å
325	F	96.8	Very high	97.3	Very high	6 Å²	6	19.4 Å²	19.4	3%	0.026	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	5.6	175.3	-72	-91.7	0	0	0	114.1	L247 N248 Q250 L252 F257 R260 A321 L322 H323 Y327	L247-F325 HydrophobicContact CB-CD1 3.98Å; L247-F325 HydrophobicContact CB-CD2 4.45Å; L247-F325 HydrophobicContact CB-CE1 4.08Å; L247-F325 HydrophobicContact CB-CG 4.19Å; L247-F325 HydrophobicContact CB-CZ 4.36Å; L247-F325 HydrophobicContact CD1-CD2 4.21Å; L247-F325 HydrophobicContact CD1-CE1 4.21Å; L247-F325 HydrophobicContact CD1-CE2 3.66Å; L247-F325 HydrophobicContact CD1-CZ 3.66Å; N248-F325 VanDerWaalsContact OD1-C 3.32Å; Q250-F325 HydrophobicContact CB-CE1 4.2Å; L252-F325 HydrophobicContact CB-CD1 4.45Å; L252-F325 HydrophobicContact CD1-CB 3.83Å; L252-F325 HydrophobicContact CD1-CD1 3.77Å; L252-F325 HydrophobicContact CD1-CD2 3.74Å; L252-F325 HydrophobicContact CD1-CE1 4.21Å; L252-F325 HydrophobicContact CD1-CE2 4.2Å; L252-F325 HydrophobicContact CD1-CG 3.51Å; L252-F325 HydrophobicContact CD1-CZ 4.41Å; F257-F325 AromaticContact CD2-CD2 3.91Å; F257-F325 HydrophobicContact CD2-CD2 3.91Å; F257-F325 AromaticContact CD2-CE2 3.86Å; F257-F325 HydrophobicContact CD2-CE2 3.86Å; F257-F325 HydrophobicContact CE2-CD2 4.43Å; R260-F325 HydrophobicContact CG-CE2 4.04Å; A321-F325 WeakPolarHBondContact O-CD2 3.47Å; A321-F325 PolarHBondContact O-N 3.47Å; L322-F325 CarbonylContact O-C 3.56Å; L322-F325 PolarHBondContact O-N 3.41Å; L322-F325 VanDerWaalsContact O-N 3.15Å; H323-F325 PolarHBondContact O-N 2.92Å; F325-Y327 HydrophobicContact CB-CD2 4.02Å; F325-Y327 HydrophobicContact CB-CE2 4.27Å; F325-Y327 VanDerWaalsContact O-CD2 3.31Å; F325-Y327 WeakPolarHBondContact O-CD2 3.42Å; F325-Y327 WeakPolarHBondContact O-CE2 3.49Å
326	G	95.8	Very high	97.1	Very high	47 Å²	47	21.7 Å²	21.7	49%	0.485	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.4	13.8	171.3	0	0	0	0	0	115.4	N248 L322 H323	N248-G326 WeakPolarHBondContact OD1-CA 3.37Å; N248-G326 PolarHBondContact OD1-N 3.04Å; L322-G326 PolarHBondContact O-N 3.46Å; L322-G326 VanDerWaalsContact O-N 3.17Å; H323-G326 PolarHBondContact O-N 2.92Å
327	Y	96.8	Very high	96.8	Very high	82 Å²	82	24.3 Å²	24.3	32%	0.322	15%	0.146	S	C	.	.			trans	-110.3	163.9	179.6	-59.1	-78.2	0	0	0	111.5	L252 P295 T296 L322 H323 F325	L252-Y327 HydrophobicContact CD2-CD2 4.41Å; L252-Y327 HydrophobicContact CD2-CE2 4.19Å; P295-Y327 HydrophobicContact CB-CD1 3.7Å; P295-Y327 HydrophobicContact CB-CD2 3.89Å; P295-Y327 HydrophobicContact CB-CE1 3.98Å; P295-Y327 HydrophobicContact CB-CE2 4.17Å; P295-Y327 HydrophobicContact CB-CG 3.64Å; P295-Y327 HydrophobicContact CG-CD1 4.11Å; P295-Y327 HydrophobicContact CG-CE1 3.91Å; P295-Y327 HydrophobicContact CG-CG 4.48Å; T296-Y327 HydrophobicContact CG2-CD1 3.82Å; T296-Y327 HydrophobicContact CG2-CE1 4.1Å; L322-Y327 CarbonylContact C-O 3.54Å; L322-Y327 HydrophobicContact CD2-CD2 4.49Å; L322-Y327 PolarHBondContact O-N 3.34Å; H323-Y327 VanDerWaalsContact CA-O 3.28Å; H323-Y327 WeakPolarHBondContact CA-O 3.29Å; H323-Y327 PolarHBondContact N-O 2.84Å; F325-Y327 HydrophobicContact CB-CD2 4.02Å; F325-Y327 HydrophobicContact CB-CE2 4.27Å; F325-Y327 VanDerWaalsContact O-CD2 3.31Å; F325-Y327 WeakPolarHBondContact O-CD2 3.42Å; F325-Y327 WeakPolarHBondContact O-CE2 3.49Å
328	Q	96.5	Very high	96.7	Very high	103 Å²	103	29 Å²	29	48%	0.481	17%	0.171	S	C	.	.			trans	-130.8	129.1	176.9	-67.1	-179.6	-4.3	0	0	108.6	W361	Q328-W361 HydrophobicContact CB-CD2 4.31Å; Q328-W361 HydrophobicContact CB-CE3 3.78Å; Q328-W361 HydrophobicContact CB-CH2 4.24Å; Q328-W361 HydrophobicContact CB-CZ3 3.71Å; Q328-W361 HydrophobicContact CG-CD2 3.73Å; Q328-W361 HydrophobicContact CG-CE3 3.74Å; Q328-W361 HydrophobicContact CG-CG 4.31Å; Q328-W361 HydrophobicContact CG-CH2 4.23Å; Q328-W361 HydrophobicContact CG-CZ2 4.24Å; Q328-W361 HydrophobicContact CG-CZ3 3.97Å
329	A	97.5	Very high	96.5	Very high	8 Å²	8	29.5 Å²	29.5	7%	0.066	17%	0.173	C	C	.	.			trans	-63.3	151.3	168.4	0	0	0	0	0	109.9	F298 F315 A319 L365	F298-A329 HydrophobicContact CB-CB 4.49Å; F298-A329 HydrophobicContact CD1-CB 3.82Å; F315-A329 HydrophobicContact CE2-CB 4Å; F315-A329 HydrophobicContact CZ-CB 3.89Å; A319-A329 HydrophobicContact CB-CB 3.98Å; A329-L365 HydrophobicContact CB-CD2 4.01Å; A329-L365 WeakPolarHBondContact O-CD2 3.33Å
330	I	97.2	Very high	96.4	Very high	59 Å²	59	29.7 Å²	29.7	30%	0.303	18%	0.175	S	C	.	.			trans	-77.9	-41.7	174.9	-66.6	-176.6	0	0	0	110.3	K297 F298 L299 Q366	K297-I330 HydrophobicContact CB-CD1 4.03Å; K297-I330 HydrophobicContact CG-CD1 4.16Å; F298-I330 PolarHBondContact O-N 2.93Å; L299-I330 HydrophobicContact CD1-CG2 4.2Å; I330-Q366 HydrophobicContact CG2-CG 4.47Å; I330-Q366 PolarHBondContact O-N 2.96Å
331	G	98.1	Very high	96.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.4	-154	-173.2	0	0	0	0	0	113.9	L299 G300 F315 Q366	L299-G331 VanDerWaalsContact CA-O 3.24Å; L299-G331 WeakPolarHBondContact CA-O 3.49Å; G300-G331 PolarHBondContact N-O 3.35Å; F315-G331 WeakPolarHBondContact CE2-O 3.38Å; F315-G331 WeakPolarHBondContact CZ-O 3.34Å; G331-Q366 CarbonylContact C-O 3.6Å; G331-Q366 WeakPolarHBondContact CA-O 3.44Å
332	I	98.4	Very high	96.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	158.7	-176.7	61	89.6	0	0	0	111.5	G300 L302 F315 I334 I346 F350 Q366 I367 L368	G300-I332 CarbonylContact O-C 3.47Å; G300-I332 WeakPolarHBondContact O-CA 3.49Å; L302-I332 HydrophobicContact CD1-CB 3.89Å; L302-I332 HydrophobicContact CD1-CD1 3.89Å; L302-I332 HydrophobicContact CD1-CG1 4Å; L302-I332 HydrophobicContact CD1-CG2 4.03Å; L302-I332 HydrophobicContact CD2-CB 4.09Å; L302-I332 HydrophobicContact CD2-CG2 3.78Å; L302-I332 HydrophobicContact CG-CB 3.92Å; L302-I332 HydrophobicContact CG-CD1 4.44Å; L302-I332 HydrophobicContact CG-CG2 4.13Å; F315-I332 HydrophobicContact CB-CG2 4.33Å; F315-I332 HydrophobicContact CD1-CG2 3.35Å; F315-I332 HydrophobicContact CD2-CG2 3.58Å; F315-I332 HydrophobicContact CE1-CG2 3.39Å; F315-I332 HydrophobicContact CE2-CG2 3.62Å; F315-I332 HydrophobicContact CG-CG2 3.44Å; F315-I332 VanDerWaalsContact CG-CG2 3.44Å; F315-I332 HydrophobicContact CZ-CG2 3.53Å; I332-I334 HydrophobicContact CD1-CD1 3.99Å; I332-I334 HydrophobicContact CD1-CG1 3.53Å; I332-I346 HydrophobicContact CD1-CD1 3.97Å; I332-I346 HydrophobicContact CD1-CG2 4.24Å; I332-I346 HydrophobicContact CG1-CG2 4.12Å; I332-F350 HydrophobicContact CG1-CE2 4.36Å; I332-F350 HydrophobicContact CG1-CZ 4.03Å; I332-F350 HydrophobicContact CG2-CZ 4.07Å; I332-Q366 PolarHBondContact N-O 3.26Å; I332-I367 HydrophobicContact CD1-CB 4.28Å; I332-I367 HydrophobicContact CD1-CG1 4.09Å; I332-I367 HydrophobicContact CD1-CG2 3.89Å; I332-I367 HydrophobicContact CG1-CG1 4.18Å; I332-L368 PolarHBondContact O-N 2.82Å
333	R	98.3	Very high	96.4	Very high	22 Å²	22	36.6 Å²	36.6	8%	0.083	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	138.2	167.7	176.5	177.9	167.4	-134.5	-15.3	109.1	T205 L299 G300 L301 L302 D335 L368 S370	T205-R333 HydrophobicContact CG2-CB 4.28Å; T205-R333 PolarHBondContact OG1-NH1 3.44Å; L299-R333 HydrophobicContact CD2-CB 3.66Å; G300-R333 PolarHBondContact O-N 2.96Å; L301-R333 WeakPolarHBondContact CA-O 3.31Å; L301-R333 HydrophobicContact CD1-CB 4.15Å; L301-R333 HydrophobicContact CD1-CG 3.89Å; L302-R333 PolarHBondContact N-O 3.49Å; L302-R333 VanDerWaalsContact N-O 3.1Å; R333-D335 IonicContact CZ-OD2 3.64Å; R333-D335 IonicContact NH2-OD1 2.72Å; R333-D335 PolarHBondContact NH2-OD1 3.02Å; R333-D335 IonicContact NH2-OD2 2.78Å; R333-D335 PolarHBondContact NH2-OD2 3.48Å; R333-L368 WeakPolarHBondContact CA-O 3.4Å; R333-L368 HydrophobicContact CB-CB 4.09Å; R333-L368 HydrophobicContact CG-CB 4.3Å; R333-S370 PolarHBondContact NE-OG 3.41Å; R333-S370 PolarHBondContact NH2-OG 2.78Å
334	I	97.3	Very high	96.5	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131.9	171.5	-43.3	168.7	0	0	0	106.6	V307 I332 S336 M339 L342 I346 I367 L368 S370	V307-I334 HydrophobicContact CG1-CG2 4.46Å; V307-I334 HydrophobicContact CG2-CG2 4.13Å; I332-I334 HydrophobicContact CD1-CD1 3.99Å; I332-I334 HydrophobicContact CD1-CG1 3.53Å; I334-S336 WeakPolarHBondContact CG2-O 3.14Å; I334-M339 HydrophobicContact CB-CE 3.73Å; I334-M339 HydrophobicContact CB-SD 3.66Å; I334-M339 HydrophobicContact CG2-CE 4.16Å; I334-M339 HydrophobicContact CG2-SD 3.38Å; I334-M339 WeakPolarHBondContact CG2-SD 3.35Å; I334-M339 WeakPolarHBondContact O-CE 3.49Å; I334-L342 HydrophobicContact CD1-CB 4.02Å; I334-L342 HydrophobicContact CG2-CD1 3.9Å; I334-I346 HydrophobicContact CD1-CD1 3.5Å; I334-I346 HydrophobicContact CG1-CD1 4.02Å; I334-I367 HydrophobicContact CD1-CG2 4.08Å; I334-L368 PolarHBondContact N-O 3.14Å; I334-S370 PolarHBondContact O-N 3.41Å; I334-S370 VanDerWaalsContact O-O 3.09Å; I334-S370 PolarHBondContact O-OG 3.27Å
335	D	94.8	Very high	96.5	Very high	33 Å²	33	39 Å²	39	18%	0.176	22%	0.219	C	C	.	.			trans	-116.3	0.1	-178.8	-155.6	29	0	0	0	114	H208 L301 D303 R333 S370 N371	H208-D335 IonicContact NE2-OD2 2.71Å; L301-D335 HydrophobicContact CD1-CB 3.93Å; D303-D335 PolarHBondContact OD1-N 2.89Å; D303-D335 VanDerWaalsContact OD2-CA 3.28Å; D303-D335 WeakPolarHBondContact OD2-CA 3.32Å; D303-D335 VanDerWaalsContact OD2-CB 3.26Å; D303-D335 WeakPolarHBondContact OD2-CB 3.36Å; D303-D335 PolarHBondContact OD2-N 3.29Å; R333-D335 IonicContact CZ-OD2 3.64Å; R333-D335 IonicContact NH2-OD1 2.72Å; R333-D335 PolarHBondContact NH2-OD1 3.02Å; R333-D335 IonicContact NH2-OD2 2.78Å; R333-D335 PolarHBondContact NH2-OD2 3.48Å; D335-S370 CarbonylContact C-O 3.51Å; D335-S370 VanDerWaalsContact CA-O 3.24Å; D335-S370 WeakPolarHBondContact CA-O 3.33Å; D335-S370 VanDerWaalsContact OD1-CB 3.3Å; D335-S370 WeakPolarHBondContact OD1-CB 3.26Å; D335-S370 PolarHBondContact OD1-OG 2.98Å; D335-N371 WeakPolarHBondContact O-CB 3.48Å
336	S	93.7	Very high	96.6	Very high	48 Å²	48	38.7 Å²	38.7	34%	0.336	22%	0.217	S	C	.	.	S	Bend	trans	-160.5	170.4	-178.9	63.7	0	0	0	0	113.3	D303 I334 L342	D303-S336 WeakPolarHBondContact CB-OG 3.18Å; D303-S336 VanDerWaalsContact OD2-CB 3.3Å; D303-S336 WeakPolarHBondContact OD2-CB 3.41Å; D303-S336 PolarHBondContact OD2-N 2.73Å; D303-S336 PolarHBondContact OD2-OG 3.15Å; I334-S336 WeakPolarHBondContact CG2-O 3.14Å; S336-L342 WeakPolarHBondContact O-CD1 3.27Å
337	G	92.6	Very high	96.7	Very high	55 Å²	55	37.5 Å²	37.5	57%	0.567	20%	0.198	S	C	*	.	S	Bend	trans	84	-169.2	179.8	0	0	0	0	0	114.5	M339	G337-M339 PolarHBondContact O-N 3.45Å; G337-M339 VanDerWaalsContact O-N 3.08Å
338	D	94.2	Very high	96.8	Very high	99 Å²	99	38.1 Å²	38.1	53%	0.529	21%	0.207	S	C	.	.			trans	-77.5	90.9	174.6	-177	-17.7	0	0	0	110	A340 Y341 L342	D338-A340 PolarHBondContact O-N 3.02Å; D338-A340 PolarHBondContact OD1-N 3.11Å; D338-A340 VanDerWaalsContact OD1-N 3.13Å; D338-Y341 PolarHBondContact O-N 3.33Å; D338-Y341 PolarHBondContact OD1-N 3.41Å; D338-Y341 VanDerWaalsContact OD1-N 3.12Å; D338-L342 VanDerWaalsContact O-CB 3.25Å; D338-L342 WeakPolarHBondContact O-CB 3.22Å; D338-L342 WeakPolarHBondContact O-CG 3.38Å; D338-L342 PolarHBondContact O-N 3.27Å
339	M	94.7	Very high	96.9	Very high	9 Å²	9	33.7 Å²	33.7	4%	0.044	19%	0.188	C	C	.	.	H	α-helix	trans	-58	-33	-175.9	-60.9	-68	-76.1	0	0	113.7	I334 G337 S343 A369 F381 I388	I334-M339 HydrophobicContact CB-CE 3.73Å; I334-M339 HydrophobicContact CB-SD 3.66Å; I334-M339 HydrophobicContact CG2-CE 4.16Å; I334-M339 HydrophobicContact CG2-SD 3.38Å; I334-M339 WeakPolarHBondContact CG2-SD 3.35Å; I334-M339 WeakPolarHBondContact O-CE 3.49Å; G337-M339 PolarHBondContact O-N 3.45Å; G337-M339 VanDerWaalsContact O-N 3.08Å; M339-S343 WeakPolarHBondContact O-CB 3.37Å; M339-S343 PolarHBondContact O-N 3.19Å; M339-S343 PolarHBondContact O-OG 3.17Å; M339-S343 VanDerWaalsContact O-OG 3.1Å; M339-A369 HydrophobicContact CE-CB 3.12Å; M339-F381 HydrophobicContact CB-CE1 3.86Å; M339-F381 HydrophobicContact CB-CZ 3.72Å; M339-F381 HydrophobicContact CG-CZ 4.38Å; M339-I388 HydrophobicContact CB-CD1 4.21Å
340	A	95.2	Very high	96.9	Very high	4 Å²	4	33.3 Å²	33.3	3%	0.033	19%	0.185	C	C	.	.	H	α-helix	trans	-69.7	-54.8	179.6	0	0	0	0	0	109.5	D338 L342 S343 L344 F381 Q384 H386	D338-A340 PolarHBondContact O-N 3.02Å; D338-A340 PolarHBondContact OD1-N 3.11Å; D338-A340 VanDerWaalsContact OD1-N 3.13Å; A340-L342 PolarHBondContact O-N 3.43Å; A340-S343 PolarHBondContact O-N 2.96Å; A340-S343 PolarHBondContact O-OG 3.27Å; A340-L344 WeakPolarHBondContact O-CG 3.44Å; A340-L344 PolarHBondContact O-N 3.04Å; A340-L344 VanDerWaalsContact O-N 3.14Å; A340-F381 HydrophobicContact CB-CD1 4.13Å; A340-F381 HydrophobicContact CB-CE1 4.02Å; A340-Q384 HydrophobicContact CB-CG 4.16Å; A340-H386 HydrophobicContact CB-CB 4.11Å
341	Y	96.8	Very high	97	Very high	129 Å²	129	34.8 Å²	34.8	51%	0.506	19%	0.191	S	C	.	.	H	α-helix	trans	-56.6	-47.8	175.6	168.2	-103.4	0	0	0	112.5	L308 D338 S343 L344 T345	L308-Y341 HydrophobicContact CD1-CE1 4.03Å; D338-Y341 PolarHBondContact O-N 3.33Å; D338-Y341 PolarHBondContact OD1-N 3.41Å; D338-Y341 VanDerWaalsContact OD1-N 3.12Å; Y341-S343 PolarHBondContact O-N 3.38Å; Y341-L344 PolarHBondContact O-N 3.38Å; Y341-T345 WeakPolarHBondContact O-CB 3.16Å; Y341-T345 PolarHBondContact O-N 3.24Å; Y341-T345 PolarHBondContact O-OG1 3.38Å
342	L	97.9	Very high	96.9	Very high	16 Å²	16	38.5 Å²	38.5	8%	0.084	21%	0.21	C	C	.	.	H	α-helix	trans	-62.3	-44.4	-179.9	-68.8	171.5	0	0	0	110.9	V307 L308 I334 S336 D338 A340 L344 T345 I346	V307-L342 HydrophobicContact CB-CD1 4.42Å; V307-L342 HydrophobicContact CB-CD2 4.09Å; V307-L342 HydrophobicContact CG1-CD1 4.26Å; V307-L342 HydrophobicContact CG1-CD2 3.86Å; V307-L342 HydrophobicContact CG1-CG 4.45Å; V307-L342 HydrophobicContact CG2-CD1 4.13Å; L308-L342 HydrophobicContact CD1-CD2 3.84Å; L308-L342 HydrophobicContact CD2-CD2 3.98Å; L308-L342 HydrophobicContact CG-CD2 3.7Å; I334-L342 HydrophobicContact CD1-CB 4.02Å; I334-L342 HydrophobicContact CG2-CD1 3.9Å; S336-L342 WeakPolarHBondContact O-CD1 3.27Å; D338-L342 VanDerWaalsContact O-CB 3.25Å; D338-L342 WeakPolarHBondContact O-CB 3.22Å; D338-L342 WeakPolarHBondContact O-CG 3.38Å; D338-L342 PolarHBondContact O-N 3.27Å; A340-L342 PolarHBondContact O-N 3.43Å; L342-L344 VanDerWaalsContact C-N 3.34Å; L342-L344 PolarHBondContact O-N 3.5Å; L342-T345 PolarHBondContact O-N 3.01Å; L342-I346 HydrophobicContact CB-CD1 4.48Å; L342-I346 WeakPolarHBondContact O-CB 3.11Å; L342-I346 WeakPolarHBondContact O-CD1 3.14Å; L342-I346 WeakPolarHBondContact O-CG1 3.12Å; L342-I346 PolarHBondContact O-N 3.39Å
343	S	98	Very high	96.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.9	-39.6	179	71.8	0	0	0	0	113	M339 A340 Y341 R347 I367 S387	M339-S343 WeakPolarHBondContact O-CB 3.37Å; M339-S343 PolarHBondContact O-N 3.19Å; M339-S343 PolarHBondContact O-OG 3.17Å; M339-S343 VanDerWaalsContact O-OG 3.1Å; A340-S343 PolarHBondContact O-N 2.96Å; A340-S343 PolarHBondContact O-OG 3.27Å; Y341-S343 PolarHBondContact O-N 3.38Å; S343-R347 VanDerWaalsContact O-CB 3.32Å; S343-R347 WeakPolarHBondContact O-CB 3.46Å; S343-R347 PolarHBondContact O-N 3.49Å; S343-I367 WeakPolarHBondContact O-CD1 3.49Å; S343-S387 PolarHBondContact OG-N 2.88Å
344	L	98.2	Very high	96.8	Very high	57 Å²	57	38.1 Å²	38.1	30%	0.298	21%	0.211	S	C	.	.	H	α-helix	trans	-67.2	-46	176.3	-67.2	174.3	0	0	0	111.2	A340 Y341 L342 I346 R347 N348 D385	A340-L344 WeakPolarHBondContact O-CG 3.44Å; A340-L344 PolarHBondContact O-N 3.04Å; A340-L344 VanDerWaalsContact O-N 3.14Å; Y341-L344 PolarHBondContact O-N 3.38Å; L342-L344 VanDerWaalsContact C-N 3.34Å; L342-L344 PolarHBondContact O-N 3.5Å; L344-I346 VanDerWaalsContact C-N 3.33Å; L344-I346 PolarHBondContact O-N 3.06Å; L344-R347 PolarHBondContact O-N 2.89Å; L344-N348 VanDerWaalsContact O-CG 3.24Å; L344-N348 PolarHBondContact O-N 2.98Å; L344-N348 PolarHBondContact O-ND2 3.47Å; L344-D385 HydrophobicContact CD1-CB 4.17Å; L344-D385 WeakPolarHBondContact CD1-O 3.43Å; L344-D385 HydrophobicContact CD2-CB 4.38Å
345	T	97.9	Very high	96.8	Very high	41 Å²	41	45 Å²	45	25%	0.252	25%	0.247	S	C	.	.	H	α-helix	trans	-60.5	-44.2	178.9	-55.6	0	0	0	0	111.2	L308 Y341 L342 N348 A349	L308-T345 HydrophobicContact CD1-CG2 4.04Å; L308-T345 HydrophobicContact CD2-CG2 3.77Å; Y341-T345 WeakPolarHBondContact O-CB 3.16Å; Y341-T345 PolarHBondContact O-N 3.24Å; Y341-T345 PolarHBondContact O-OG1 3.38Å; L342-T345 PolarHBondContact O-N 3.01Å; T345-N348 PolarHBondContact O-N 3.46Å; T345-A349 PolarHBondContact O-N 3.31Å; T345-A349 VanDerWaalsContact O-N 3.09Å
346	I	98.5	Very high	96.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.3	-45.1	176.8	-70.2	161.9	0	0	0	111	L302 V307 L308 L312 I332 I334 L342 L344 N348 A349 F350 I367	L302-I346 HydrophobicContact CD1-CD1 3.87Å; V307-I346 HydrophobicContact CG1-CD1 3.87Å; L308-I346 HydrophobicContact CD2-CG1 4.17Å; L312-I346 HydrophobicContact CD1-CG1 4.22Å; L312-I346 HydrophobicContact CD1-CG2 4.05Å; L312-I346 HydrophobicContact CD2-CG1 4.06Å; I332-I346 HydrophobicContact CD1-CD1 3.97Å; I332-I346 HydrophobicContact CD1-CG2 4.24Å; I332-I346 HydrophobicContact CG1-CG2 4.12Å; I334-I346 HydrophobicContact CD1-CD1 3.5Å; I334-I346 HydrophobicContact CG1-CD1 4.02Å; L342-I346 HydrophobicContact CB-CD1 4.48Å; L342-I346 WeakPolarHBondContact O-CB 3.11Å; L342-I346 WeakPolarHBondContact O-CD1 3.14Å; L342-I346 WeakPolarHBondContact O-CG1 3.12Å; L342-I346 PolarHBondContact O-N 3.39Å; L344-I346 VanDerWaalsContact C-N 3.33Å; L344-I346 PolarHBondContact O-N 3.06Å; I346-N348 VanDerWaalsContact C-N 3.3Å; I346-N348 PolarHBondContact O-N 2.96Å; I346-A349 WeakPolarHBondContact O-CB 3.23Å; I346-A349 PolarHBondContact O-N 3.14Å; I346-A349 VanDerWaalsContact O-N 3.15Å; I346-F350 HydrophobicContact CG2-CD1 4.4Å; I346-F350 HydrophobicContact CG2-CD2 4.12Å; I346-F350 HydrophobicContact CG2-CE1 3.91Å; I346-F350 HydrophobicContact CG2-CE2 3.59Å; I346-F350 HydrophobicContact CG2-CZ 3.48Å; I346-F350 VanDerWaalsContact CG2-CZ 3.48Å; I346-F350 WeakPolarHBondContact O-CG 3.45Å; I346-F350 PolarHBondContact O-N 2.8Å; I346-I367 HydrophobicContact CB-CD1 4.23Å; I346-I367 HydrophobicContact CG2-CD1 3.82Å; I346-I367 HydrophobicContact CG2-CG1 4.27Å
347	R	98.5	Very high	96.8	Very high	23 Å²	23	47.6 Å²	47.6	9%	0.087	25%	0.252	C	S	.	.	H	α-helix	trans	-60.5	-40.5	177.8	-176.8	63.5	64.7	-161.4	-5	111.9	S343 L344 F350 Q351 A363 L365 I367 S387 D389	S343-R347 VanDerWaalsContact O-CB 3.32Å; S343-R347 WeakPolarHBondContact O-CB 3.46Å; S343-R347 PolarHBondContact O-N 3.49Å; L344-R347 PolarHBondContact O-N 2.89Å; R347-F350 PolarHBondContact O-N 3.47Å; R347-Q351 WeakPolarHBondContact O-CG 3.46Å; R347-Q351 PolarHBondContact O-N 3.3Å; R347-A363 PolarHBondContact NH1-O 3.24Å; R347-L365 PolarHBondContact NH1-O 3Å; R347-L365 PolarHBondContact NH2-O 3.31Å; R347-I367 HydrophobicContact CB-CD1 4.21Å; R347-S387 PolarHBondContact NH2-O 2.74Å; R347-D389 IonicContact CZ-OD2 3.64Å; R347-D389 IonicContact NH2-OD1 3.51Å; R347-D389 IonicContact NH2-OD2 3.96Å; R347-D389 PolarHBondContact NH2-OD2 3.27Å
348	N	98.1	Very high	96.9	Very high	94 Å²	94	51.4 Å²	51.4	50%	0.503	26%	0.259	S	S	.	.	H	α-helix	trans	-63.2	-41.5	175.9	-70.7	-19.7	0	0	0	111.6	L344 T345 I346 F350 Q351 L352	L344-N348 VanDerWaalsContact O-CG 3.24Å; L344-N348 PolarHBondContact O-N 2.98Å; L344-N348 PolarHBondContact O-ND2 3.47Å; T345-N348 PolarHBondContact O-N 3.46Å; I346-N348 VanDerWaalsContact C-N 3.3Å; I346-N348 PolarHBondContact O-N 2.96Å; N348-F350 VanDerWaalsContact C-N 3.35Å; N348-F350 PolarHBondContact O-N 3.25Å; N348-Q351 PolarHBondContact O-N 3.44Å; N348-L352 WeakPolarHBondContact O-CB 3.42Å; N348-L352 PolarHBondContact O-N 3.48Å
349	A	98.2	Very high	97	Very high	11 Å²	11	47.2 Å²	47.2	9%	0.091	24%	0.237	C	C	.	.	H	α-helix	trans	-61.5	-42.9	174.1	0	0	0	0	0	111.8	L272 L312 T345 I346 L352 I353	L272-A349 HydrophobicContact CD2-CB 3.77Å; L312-A349 HydrophobicContact CD1-CB 4.44Å; L312-A349 HydrophobicContact CD2-CB 3.84Å; T345-A349 PolarHBondContact O-N 3.31Å; T345-A349 VanDerWaalsContact O-N 3.09Å; I346-A349 WeakPolarHBondContact O-CB 3.23Å; I346-A349 PolarHBondContact O-N 3.14Å; I346-A349 VanDerWaalsContact O-N 3.15Å; A349-L352 PolarHBondContact O-N 3.29Å; A349-I353 WeakPolarHBondContact O-CG1 3.23Å; A349-I353 PolarHBondContact O-N 3.39Å
350	F	98.6	Very high	97.1	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.5	-42.7	175.7	-68.2	-11	0	0	0	112.6	L312 F315 I332 I346 R347 N348 L352 S354 F362 L365 I367	L312-F350 HydrophobicContact CD1-CD1 4.4Å; L312-F350 HydrophobicContact CD1-CE1 3.77Å; L312-F350 HydrophobicContact CD1-CZ 4.49Å; F315-F350 HydrophobicContact CD1-CE1 4.06Å; F315-F350 HydrophobicContact CD1-CZ 4.21Å; F315-F350 AromaticContact CE1-CE1 3.78Å; F315-F350 HydrophobicContact CE1-CE1 3.78Å; F315-F350 AromaticContact CE1-CZ 3.71Å; F315-F350 HydrophobicContact CE1-CZ 3.71Å; I332-F350 HydrophobicContact CG1-CE2 4.36Å; I332-F350 HydrophobicContact CG1-CZ 4.03Å; I332-F350 HydrophobicContact CG2-CZ 4.07Å; I346-F350 HydrophobicContact CG2-CD1 4.4Å; I346-F350 HydrophobicContact CG2-CD2 4.12Å; I346-F350 HydrophobicContact CG2-CE1 3.91Å; I346-F350 HydrophobicContact CG2-CE2 3.59Å; I346-F350 HydrophobicContact CG2-CZ 3.48Å; I346-F350 VanDerWaalsContact CG2-CZ 3.48Å; I346-F350 WeakPolarHBondContact O-CG 3.45Å; I346-F350 PolarHBondContact O-N 2.8Å; R347-F350 PolarHBondContact O-N 3.47Å; N348-F350 VanDerWaalsContact C-N 3.35Å; N348-F350 PolarHBondContact O-N 3.25Å; F350-L352 VanDerWaalsContact C-N 3.35Å; F350-S354 WeakPolarHBondContact O-CB 3.3Å; F350-S354 PolarHBondContact O-N 2.89Å; F350-F362 HydrophobicContact CB-CD1 4.17Å; F350-F362 HydrophobicContact CD1-CD1 4.13Å; F350-F362 AromaticContact CD1-CE1 3.69Å; F350-F362 HydrophobicContact CD1-CE1 3.69Å; F350-F362 HydrophobicContact CE1-CE1 4.23Å; F350-F362 HydrophobicContact CG-CD1 4.35Å; F350-F362 HydrophobicContact CG-CE1 4.36Å; F350-L365 HydrophobicContact CD1-CD1 4.25Å; F350-L365 HydrophobicContact CD2-CB 3.72Å; F350-L365 HydrophobicContact CD2-CD1 4.32Å; F350-L365 HydrophobicContact CE1-CD1 4.13Å; F350-L365 HydrophobicContact CE2-CB 3.52Å; F350-L365 HydrophobicContact CE2-CD1 4.21Å; F350-L365 HydrophobicContact CG-CB 4.49Å; F350-L365 HydrophobicContact CG-CD1 4.33Å; F350-L365 HydrophobicContact CZ-CB 4.14Å; F350-L365 HydrophobicContact CZ-CD1 4.1Å; F350-I367 HydrophobicContact CE2-CD1 4.43Å; F350-I367 HydrophobicContact CE2-CG1 4.19Å
351	Q	98.2	Very high	97.2	Very high	89 Å²	89	52.3 Å²	52.3	42%	0.416	27%	0.266	S	S	.	.	H	α-helix	trans	-63.9	-41.1	175.5	-73.3	173.7	-10.9	0	0	111.8	R347 N348 S354 L355 A363	R347-Q351 WeakPolarHBondContact O-CG 3.46Å; R347-Q351 PolarHBondContact O-N 3.3Å; N348-Q351 PolarHBondContact O-N 3.44Å; Q351-S354 WeakPolarHBondContact O-CB 3.27Å; Q351-S354 PolarHBondContact O-N 3.41Å; Q351-L355 WeakPolarHBondContact O-CB 3.23Å; Q351-L355 WeakPolarHBondContact O-CG 3.33Å; Q351-L355 PolarHBondContact O-N 3.42Å; Q351-A363 HydrophobicContact CG-CB 4.33Å
352	L	97.3	Very high	97.2	Very high	79 Å²	79	46.1 Å²	46.1	41%	0.414	24%	0.242	S	C	.	.	H	α-helix	trans	-63.9	-45.6	179	-170.9	151.3	0	0	0	111.2	V271 N348 A349 F350 L355 H356	V271-L352 HydrophobicContact CB-CD2 4.35Å; V271-L352 HydrophobicContact CG1-CD2 3.1Å; N348-L352 WeakPolarHBondContact O-CB 3.42Å; N348-L352 PolarHBondContact O-N 3.48Å; A349-L352 PolarHBondContact O-N 3.29Å; F350-L352 VanDerWaalsContact C-N 3.35Å; L352-L355 PolarHBondContact O-N 2.98Å; L352-H356 WeakPolarHBondContact O-CB 3.29Å; L352-H356 PolarHBondContact O-N 3.45Å
353	I	96.8	Very high	97.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.7	-44.3	174.1	-68.4	171.1	0	0	0	110.8	L268 V271 L272 C316 L320 A349 L355 H356 Y357 F362	L268-I353 HydrophobicContact CD2-CD1 3.79Å; L268-I353 HydrophobicContact CD2-CG1 3.9Å; V271-I353 HydrophobicContact CG1-CG1 4.35Å; L272-I353 HydrophobicContact CD1-CD1 4.22Å; L272-I353 HydrophobicContact CD2-CD1 4.24Å; L272-I353 HydrophobicContact CD2-CG1 4.27Å; L272-I353 HydrophobicContact CG-CD1 4.49Å; C316-I353 HydrophobicContact CB-CD1 3.75Å; C316-I353 VanDerWaalsContact SG-CD1 3.56Å; L320-I353 HydrophobicContact CD1-CG2 4.32Å; L320-I353 HydrophobicContact CD2-CG2 4.07Å; A349-I353 WeakPolarHBondContact O-CG1 3.23Å; A349-I353 PolarHBondContact O-N 3.39Å; I353-L355 VanDerWaalsContact C-N 3.34Å; I353-L355 PolarHBondContact O-N 2.83Å; I353-H356 PolarHBondContact O-N 2.99Å; I353-Y357 HydrophobicContact CG2-CD2 3.88Å; I353-Y357 HydrophobicContact CG2-CE2 4.43Å; I353-Y357 PolarHBondContact O-N 2.98Å; I353-F362 HydrophobicContact CB-CD1 3.96Å; I353-F362 HydrophobicContact CB-CE1 3.97Å; I353-F362 HydrophobicContact CD1-CD1 4.49Å; I353-F362 HydrophobicContact CD1-CE1 3.67Å; I353-F362 HydrophobicContact CD1-CZ 4Å; I353-F362 HydrophobicContact CG1-CE1 4.44Å; I353-F362 HydrophobicContact CG2-CD1 3.72Å; I353-F362 HydrophobicContact CG2-CD2 4.06Å; I353-F362 HydrophobicContact CG2-CE1 3.71Å; I353-F362 HydrophobicContact CG2-CE2 4.05Å; I353-F362 HydrophobicContact CG2-CG 3.9Å; I353-F362 HydrophobicContact CG2-CZ 3.88Å
354	S	97.5	Very high	97.2	Very high	13 Å²	13	54 Å²	54	9%	0.091	28%	0.283	C	S	.	.	H	α-helix	trans	-57.7	-45.1	179.2	-173.5	0	0	0	0	112.2	F350 Q351 N358 L359 P360	F350-S354 WeakPolarHBondContact O-CB 3.3Å; F350-S354 PolarHBondContact O-N 2.89Å; Q351-S354 WeakPolarHBondContact O-CB 3.27Å; Q351-S354 PolarHBondContact O-N 3.41Å; S354-N358 CarbonylContact O-C 3.58Å; S354-N358 VanDerWaalsContact O-CA 3.23Å; S354-N358 WeakPolarHBondContact O-CA 3.42Å; S354-N358 PolarHBondContact O-N 2.64Å; S354-N358 VanDerWaalsContact O-N 3.07Å; S354-L359 WeakPolarHBondContact CB-O 3.36Å; S354-L359 PolarHBondContact O-N 2.92Å; S354-L359 PolarHBondContact OG-O 3.1Å; S354-P360 WeakPolarHBondContact OG-CA 3.48Å
355	L	96.1	Very high	97.2	Very high	146 Å²	146	51.5 Å²	51.5	76%	0.764	27%	0.27	S	S	*	.	H	α-helix	trans	-71.4	-43.5	176.9	-69.5	170.3	0	0	0	112.1	Q351 L352 I353	Q351-L355 WeakPolarHBondContact O-CB 3.23Å; Q351-L355 WeakPolarHBondContact O-CG 3.33Å; Q351-L355 PolarHBondContact O-N 3.42Å; L352-L355 PolarHBondContact O-N 2.98Å; I353-L355 VanDerWaalsContact C-N 3.34Å; I353-L355 PolarHBondContact O-N 2.83Å
356	H	94.8	Very high	97.2	Very high	113 Å²	113	53 Å²	53	52%	0.523	27%	0.274	S	S	.	.	H	α-helix	trans	-66.1	-42.1	-174.7	-169.4	78.3	0	0	0	112.5	L352 I353	L352-H356 WeakPolarHBondContact O-CB 3.29Å; L352-H356 PolarHBondContact O-N 3.45Å; I353-H356 PolarHBondContact O-N 2.99Å
357	Y	94.3	Very high	97.2	Very high	22 Å²	22	53 Å²	53	9%	0.086	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	7.5	-179	-61.8	-69	0	0	0	113.7	D242 W264 L268 V271 L320 I353 L359	D242-Y357 HydrophobicContact CB-CE1 3.93Å; D242-Y357 PolarHBondContact OD2-OH 3.43Å; W264-Y357 HydrophobicContact CH2-CD1 4.42Å; W264-Y357 HydrophobicContact CH2-CE1 4.11Å; W264-Y357 HydrophobicContact CZ3-CD1 4.33Å; W264-Y357 AromaticContact CZ3-CE1 3.68Å; W264-Y357 HydrophobicContact CZ3-CE1 3.68Å; W264-Y357 HydrophobicContact CZ3-CE2 4.25Å; W264-Y357 AromaticContact CZ3-CZ 3.62Å; L268-Y357 HydrophobicContact CD2-CE2 4.13Å; V271-Y357 HydrophobicContact CG2-CE2 4.44Å; L320-Y357 HydrophobicContact CD1-CD2 4.35Å; L320-Y357 HydrophobicContact CD1-CE2 4.1Å; I353-Y357 HydrophobicContact CG2-CD2 3.88Å; I353-Y357 HydrophobicContact CG2-CE2 4.43Å; I353-Y357 PolarHBondContact O-N 2.98Å; Y357-L359 PolarHBondContact O-N 3.26Å
358	N	94.8	Very high	97.2	Very high	134 Å²	134	51.9 Å²	51.9	72%	0.717	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	50.8	-177.2	-169	35.5	0	0	0	113.5	S354 P360	S354-N358 CarbonylContact O-C 3.58Å; S354-N358 VanDerWaalsContact O-CA 3.23Å; S354-N358 WeakPolarHBondContact O-CA 3.42Å; S354-N358 PolarHBondContact O-N 2.64Å; S354-N358 VanDerWaalsContact O-N 3.07Å; N358-P360 WeakPolarHBondContact O-CD 3.47Å
359	L	96.3	Very high	97.1	Very high	12 Å²	12	47.4 Å²	47.4	6%	0.063	25%	0.246	C	C	.	.			trans	-117.5	83.1	-179.2	-63	-176.9	0	0	0	111.4	L244 L320 H323 S354 Y357 W361 F362	L244-L359 HydrophobicContact CD1-CD1 4.09Å; L244-L359 HydrophobicContact CD1-CD2 3.92Å; L244-L359 HydrophobicContact CD1-CG 4.14Å; L244-L359 HydrophobicContact CD2-CD1 4.45Å; L320-L359 HydrophobicContact CD2-CD1 3.54Å; H323-L359 WeakPolarHBondContact NE2-CD2 3.47Å; S354-L359 WeakPolarHBondContact CB-O 3.36Å; S354-L359 PolarHBondContact O-N 2.92Å; S354-L359 PolarHBondContact OG-O 3.1Å; Y357-L359 PolarHBondContact O-N 3.26Å; L359-W361 VanDerWaalsContact C-N 3.25Å; L359-W361 PolarHBondContact O-N 2.97Å; L359-W361 VanDerWaalsContact O-N 3.14Å; L359-F362 HydrophobicContact CB-CB 4.14Å; L359-F362 WeakPolarHBondContact O-CB 3.34Å; L359-F362 PolarHBondContact O-N 2.94Å
360	P	97	Very high	97	Very high	88 Å²	88	47.2 Å²	47.2	57%	0.571	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-56.6	-34.7	-173.6	-27.7	35.3	0	0	0	114.6	S354 N358 F362 A363	S354-P360 WeakPolarHBondContact OG-CA 3.48Å; N358-P360 WeakPolarHBondContact O-CD 3.47Å; P360-F362 PolarHBondContact O-N 3.41Å; P360-A363 PolarHBondContact O-N 3.17Å
361	W	97	Very high	96.6	Very high	31 Å²	31	50.9 Å²	50.9	12%	0.117	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-64.9	-27.7	-180	71	-89.5	0	0	0	112.7	H323 Q328 L359 A363 Q364 L365	H323-W361 HydrophobicContact CB-CZ2 3.82Å; H323-W361 AromaticContact CE1-NE1 3.47Å; H323-W361 PolarHBondContact CE1-NE1 2.85Å; H323-W361 AromaticContact CG-CZ2 3.83Å; H323-W361 AromaticContact ND1-CE2 3.59Å; H323-W361 AromaticContact ND1-CZ2 3.54Å; H323-W361 AromaticContact ND1-NE1 3.22Å; H323-W361 PolarHBondContact ND1-NE1 3.41Å; Q328-W361 HydrophobicContact CB-CD2 4.31Å; Q328-W361 HydrophobicContact CB-CE3 3.78Å; Q328-W361 HydrophobicContact CB-CH2 4.24Å; Q328-W361 HydrophobicContact CB-CZ3 3.71Å; Q328-W361 HydrophobicContact CG-CD2 3.73Å; Q328-W361 HydrophobicContact CG-CE3 3.74Å; Q328-W361 HydrophobicContact CG-CG 4.31Å; Q328-W361 HydrophobicContact CG-CH2 4.23Å; Q328-W361 HydrophobicContact CG-CZ2 4.24Å; Q328-W361 HydrophobicContact CG-CZ3 3.97Å; L359-W361 VanDerWaalsContact C-N 3.25Å; L359-W361 PolarHBondContact O-N 2.97Å; L359-W361 VanDerWaalsContact O-N 3.14Å; W361-A363 VanDerWaalsContact C-N 3.28Å; W361-A363 PolarHBondContact O-N 3.01Å; W361-Q364 WeakPolarHBondContact O-CB 3.39Å; W361-Q364 PolarHBondContact O-N 2.91Å; W361-L365 HydrophobicContact CE3-CD2 4.4Å; W361-L365 HydrophobicContact CZ3-CD2 3.9Å; W361-L365 HydrophobicContact CZ3-CG 4.33Å
362	F	98	Very high	96.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-64.5	-35.3	-178.3	-150.3	-78.5	0	0	0	111.3	C316 A319 L320 F350 I353 L359 P360 Q364 L365	C316-F362 HydrophobicContact CB-CZ 4.17Å; A319-F362 HydrophobicContact CB-CE2 3.81Å; A319-F362 HydrophobicContact CB-CZ 4.05Å; L320-F362 HydrophobicContact CD2-CD2 4.15Å; L320-F362 HydrophobicContact CD2-CE2 3.82Å; L320-F362 HydrophobicContact CG-CE2 3.97Å; L320-F362 HydrophobicContact CG-CZ 4.49Å; F350-F362 HydrophobicContact CB-CD1 4.17Å; F350-F362 HydrophobicContact CD1-CD1 4.13Å; F350-F362 AromaticContact CD1-CE1 3.69Å; F350-F362 HydrophobicContact CD1-CE1 3.69Å; F350-F362 HydrophobicContact CE1-CE1 4.23Å; F350-F362 HydrophobicContact CG-CD1 4.35Å; F350-F362 HydrophobicContact CG-CE1 4.36Å; I353-F362 HydrophobicContact CB-CD1 3.96Å; I353-F362 HydrophobicContact CB-CE1 3.97Å; I353-F362 HydrophobicContact CD1-CD1 4.49Å; I353-F362 HydrophobicContact CD1-CE1 3.67Å; I353-F362 HydrophobicContact CD1-CZ 4Å; I353-F362 HydrophobicContact CG1-CE1 4.44Å; I353-F362 HydrophobicContact CG2-CD1 3.72Å; I353-F362 HydrophobicContact CG2-CD2 4.06Å; I353-F362 HydrophobicContact CG2-CE1 3.71Å; I353-F362 HydrophobicContact CG2-CE2 4.05Å; I353-F362 HydrophobicContact CG2-CG 3.9Å; I353-F362 HydrophobicContact CG2-CZ 3.88Å; L359-F362 HydrophobicContact CB-CB 4.14Å; L359-F362 WeakPolarHBondContact O-CB 3.34Å; L359-F362 PolarHBondContact O-N 2.94Å; P360-F362 PolarHBondContact O-N 3.41Å; F362-Q364 PolarHBondContact O-N 3.32Å; F362-L365 HydrophobicContact CD1-CD1 3.65Å; F362-L365 HydrophobicContact CD2-CD1 4.21Å; F362-L365 HydrophobicContact CE1-CD1 3.67Å; F362-L365 HydrophobicContact CE2-CD1 4.24Å; F362-L365 HydrophobicContact CG-CD1 3.93Å; F362-L365 HydrophobicContact CZ-CD1 3.98Å; F362-L365 WeakPolarHBondContact O-CD1 3.49Å; F362-L365 WeakPolarHBondContact O-CG 3.47Å; F362-L365 PolarHBondContact O-N 3.31Å
363	A	97.7	Very high	96.1	Very high	28 Å²	28	48.3 Å²	48.3	23%	0.231	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-66.5	-18.2	175	0	0	0	0	0	113.3	R347 Q351 P360 W361	R347-A363 PolarHBondContact NH1-O 3.24Å; Q351-A363 HydrophobicContact CG-CB 4.33Å; P360-A363 PolarHBondContact O-N 3.17Å; W361-A363 VanDerWaalsContact C-N 3.28Å; W361-A363 PolarHBondContact O-N 3.01Å
364	Q	97.1	Very high	96	Very high	154 Å²	154	50 Å²	50	72%	0.72	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-98	0.8	-176.7	-59.4	-178.6	-9.9	0	0	113.7	W361 F362 Q366	W361-Q364 WeakPolarHBondContact O-CB 3.39Å; W361-Q364 PolarHBondContact O-N 2.91Å; F362-Q364 PolarHBondContact O-N 3.32Å; Q364-Q366 PolarHBondContact O-N 3.36Å
365	L	98.5	Very high	95.8	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.021	26%	0.259	C	S	.	.			trans	-51.3	133.3	175.8	-76.9	169.5	0	0	0	111.3	F315 A329 R347 F350 W361 F362	F315-L365 HydrophobicContact CE1-CD1 3.9Å; F315-L365 HydrophobicContact CZ-CD1 4.15Å; F315-L365 HydrophobicContact CZ-CD2 4.26Å; A329-L365 HydrophobicContact CB-CD2 4.01Å; A329-L365 WeakPolarHBondContact O-CD2 3.33Å; R347-L365 PolarHBondContact NH1-O 3Å; R347-L365 PolarHBondContact NH2-O 3.31Å; F350-L365 HydrophobicContact CD1-CD1 4.25Å; F350-L365 HydrophobicContact CD2-CB 3.72Å; F350-L365 HydrophobicContact CD2-CD1 4.32Å; F350-L365 HydrophobicContact CE1-CD1 4.13Å; F350-L365 HydrophobicContact CE2-CB 3.52Å; F350-L365 HydrophobicContact CE2-CD1 4.21Å; F350-L365 HydrophobicContact CG-CB 4.49Å; F350-L365 HydrophobicContact CG-CD1 4.33Å; F350-L365 HydrophobicContact CZ-CB 4.14Å; F350-L365 HydrophobicContact CZ-CD1 4.1Å; W361-L365 HydrophobicContact CE3-CD2 4.4Å; W361-L365 HydrophobicContact CZ3-CD2 3.9Å; W361-L365 HydrophobicContact CZ3-CG 4.33Å; F362-L365 HydrophobicContact CD1-CD1 3.65Å; F362-L365 HydrophobicContact CD2-CD1 4.21Å; F362-L365 HydrophobicContact CE1-CD1 3.67Å; F362-L365 HydrophobicContact CE2-CD1 4.24Å; F362-L365 HydrophobicContact CG-CD1 3.93Å; F362-L365 HydrophobicContact CZ-CD1 3.98Å; F362-L365 WeakPolarHBondContact O-CD1 3.49Å; F362-L365 WeakPolarHBondContact O-CG 3.47Å; F362-L365 PolarHBondContact O-N 3.31Å
366	Q	98	Very high	95.6	Very high	71 Å²	71	46.4 Å²	46.4	33%	0.332	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	140.9	-174.5	-62.3	-165.5	-39.6	0	0	111.7	I330 G331 I332 Q364 L368 D389	I330-Q366 HydrophobicContact CG2-CG 4.47Å; I330-Q366 PolarHBondContact O-N 2.96Å; G331-Q366 CarbonylContact C-O 3.6Å; G331-Q366 WeakPolarHBondContact CA-O 3.44Å; I332-Q366 PolarHBondContact N-O 3.26Å; Q364-Q366 PolarHBondContact O-N 3.36Å; Q366-L368 HydrophobicContact CB-CD1 3.94Å; Q366-D389 WeakPolarHBondContact CA-OD2 3.28Å
367	I	98.5	Very high	95.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	107.7	172	-62.8	176.9	0	0	0	108.3	I332 I334 S343 I346 R347 F350 I388 D389 A390	I332-I367 HydrophobicContact CD1-CB 4.28Å; I332-I367 HydrophobicContact CD1-CG1 4.09Å; I332-I367 HydrophobicContact CD1-CG2 3.89Å; I332-I367 HydrophobicContact CG1-CG1 4.18Å; I334-I367 HydrophobicContact CD1-CG2 4.08Å; S343-I367 WeakPolarHBondContact O-CD1 3.49Å; I346-I367 HydrophobicContact CB-CD1 4.23Å; I346-I367 HydrophobicContact CG2-CD1 3.82Å; I346-I367 HydrophobicContact CG2-CG1 4.27Å; R347-I367 HydrophobicContact CB-CD1 4.21Å; F350-I367 HydrophobicContact CE2-CD1 4.43Å; F350-I367 HydrophobicContact CE2-CG1 4.19Å; I367-I388 HydrophobicContact CG2-CG1 4.37Å; I367-D389 PolarHBondContact N-OD2 3.45Å; I367-D389 PolarHBondContact O-N 2.77Å; I367-A390 PolarHBondContact O-N 2.82Å
368	L	98.1	Very high	95.5	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	139.2	174.7	-86.2	61.6	0	0	0	110.2	Y161 L299 I332 R333 I334 Q366 A390	Y161-L368 HydrophobicContact CD2-CD2 4.39Å; Y161-L368 HydrophobicContact CE2-CD2 4.3Å; L299-L368 HydrophobicContact CD1-CD1 4.2Å; L299-L368 HydrophobicContact CD1-CD2 3.78Å; I332-L368 PolarHBondContact O-N 2.82Å; R333-L368 WeakPolarHBondContact CA-O 3.4Å; R333-L368 HydrophobicContact CB-CB 4.09Å; R333-L368 HydrophobicContact CG-CB 4.3Å; I334-L368 PolarHBondContact N-O 3.14Å; Q366-L368 HydrophobicContact CB-CD1 3.94Å; L368-A390 CarbonylContact C-O 3.52Å; L368-A390 WeakPolarHBondContact CA-O 3.38Å; L368-A390 HydrophobicContact CD1-CB 3.87Å; L368-A390 HydrophobicContact CG-CB 3.82Å
369	A	97.1	Very high	95.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.5	177.7	0	0	0	0	0	111.5	M339 L373 I388 A390 F391 C392	M339-A369 HydrophobicContact CE-CB 3.12Å; A369-L373 WeakPolarHBondContact O-CD1 3.44Å; A369-I388 HydrophobicContact CB-CD1 3.84Å; A369-I388 HydrophobicContact CB-CG1 4.23Å; A369-I388 HydrophobicContact CB-CG2 3.52Å; A369-A390 PolarHBondContact N-O 3.25Å; A369-F391 HydrophobicContact CB-CD1 3.78Å; A369-F391 HydrophobicContact CB-CE1 4.14Å; A369-F391 CarbonylContact O-C 3.28Å; A369-F391 WeakPolarHBondContact O-CA 3.06Å; A369-C392 PolarHBondContact O-N 2.83Å
370	S	95.2	Very high	95	Very high	6 Å²	6	39.7 Å²	39.7	4%	0.042	22%	0.216	C	C	.	.			trans	-133	149.1	163.8	53.7	0	0	0	0	108.3	R333 I334 D335	R333-S370 PolarHBondContact NE-OG 3.41Å; R333-S370 PolarHBondContact NH2-OG 2.78Å; I334-S370 PolarHBondContact O-N 3.41Å; I334-S370 VanDerWaalsContact O-O 3.09Å; I334-S370 PolarHBondContact O-OG 3.27Å; D335-S370 CarbonylContact C-O 3.51Å; D335-S370 VanDerWaalsContact CA-O 3.24Å; D335-S370 WeakPolarHBondContact CA-O 3.33Å; D335-S370 VanDerWaalsContact OD1-CB 3.3Å; D335-S370 WeakPolarHBondContact OD1-CB 3.26Å; D335-S370 PolarHBondContact OD1-OG 2.98Å
371	N	91.2	Very high	94.9	Very high	77 Å²	77	36.3 Å²	36.3	41%	0.412	19%	0.193	S	C	.	.	S	Bend	trans	160.4	94.2	163.7	-175.2	10.9	0	0	0	107.7	D335 L373	D335-N371 WeakPolarHBondContact O-CB 3.48Å; N371-L373 PolarHBondContact O-N 2.99Å
372	D	89.6	Confident	94.5	Very high	109 Å²	109	38.7 Å²	38.7	58%	0.583	21%	0.208	S	C	*	.	S	Bend	trans	38.5	39.5	179	-76.7	-26.8	0	0	0	115.7	N396	D372-N396 PolarHBondContact O-ND2 2.94Å
373	L	94.6	Very high	94.2	Very high	6 Å²	6	46.7 Å²	46.7	3%	0.031	25%	0.245	C	C	.	.			trans	-61.1	140.1	-176.2	-62.1	175.4	0	0	0	110.7	A369 N371 F381 F391 V393 N396	A369-L373 WeakPolarHBondContact O-CD1 3.44Å; N371-L373 PolarHBondContact O-N 2.99Å; L373-F381 HydrophobicContact CD2-CE2 4Å; L373-F391 HydrophobicContact CD1-CB 3.89Å; L373-F391 HydrophobicContact CD1-CD1 3.75Å; L373-F391 HydrophobicContact CD1-CG 4.29Å; L373-V393 HydrophobicContact CB-CG1 4.5Å; L373-V393 HydrophobicContact CB-CG2 4.17Å; L373-V393 HydrophobicContact CD1-CG2 4.33Å; L373-N396 PolarHBondContact O-ND2 3.24Å
374	N	94.6	Very high	93.9	Very high	36 Å²	36	49.3 Å²	49.3	19%	0.193	25%	0.252	C	S	.	.			trans	-137.9	173.2	173.2	62.8	51.2	0	0	0	111.6	Y150 D376 T377 L378 N396	Y150-N374 WeakPolarHBondContact OH-CA 3.25Å; N374-D376 PolarHBondContact O-N 3.23Å; N374-D376 WeakPolarHBondContact OD1-CA 3.38Å; N374-D376 WeakPolarHBondContact OD1-CB 3.47Å; N374-D376 PolarHBondContact OD1-N 3.11Å; N374-T377 PolarHBondContact N-OG1 2.96Å; N374-T377 PolarHBondContact O-N 2.77Å; N374-T377 PolarHBondContact O-OG1 3.3Å; N374-T377 PolarHBondContact OD1-N 2.84Å; N374-L378 PolarHBondContact O-N 3.34Å; N374-N396 HydrophobicContact CB-CB 4.25Å
375	E	92.7	Very high	93.7	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.019	25%	0.253	C	S	.	.	H	α-helix	trans	-52.9	-41.6	178.6	-65.5	176.9	-158.9	0	0	112.8	R149 Y150 L378 H379	R149-E375 HydrophobicContact CB-CG 4.38Å; R149-E375 WeakPolarHBondContact CB-OE1 3.31Å; R149-E375 WeakPolarHBondContact CD-OE1 3.41Å; R149-E375 IonicContact CZ-OE1 3.77Å; R149-E375 IonicContact CZ-OE2 3.28Å; R149-E375 VanDerWaalsContact CZ-OE2 3.29Å; R149-E375 VanDerWaalsContact NE-CD 3.33Å; R149-E375 IonicContact NE-OE1 3.48Å; R149-E375 PolarHBondContact NE-OE1 3.21Å; R149-E375 IonicContact NE-OE2 3.87Å; R149-E375 PolarHBondContact NE-OE2 3.43Å; R149-E375 VanDerWaalsContact NE-OE2 3.09Å; R149-E375 IonicContact NH2-OE1 2.86Å; R149-E375 IonicContact NH2-OE2 3.32Å; R149-E375 PolarHBondContact NH2-OE2 2.97Å; Y150-E375 HydrophobicContact CD2-CG 3.77Å; Y150-E375 HydrophobicContact CE2-CG 3.72Å; Y150-E375 HydrophobicContact CG-CG 4.26Å; E375-L378 PolarHBondContact O-N 3.37Å; E375-H379 PolarHBondContact O-CD2 3.25Å; E375-H379 PolarHBondContact O-N 3.44Å
376	D	91.6	Very high	93.6	Very high	79 Å²	79	49.6 Å²	49.6	42%	0.422	26%	0.258	S	S	.	.	H	α-helix	trans	-68.4	-39	-176.6	-54.4	-50.3	0	0	0	110.8	N374 H379 S380 K402	N374-D376 PolarHBondContact O-N 3.23Å; N374-D376 WeakPolarHBondContact OD1-CA 3.38Å; N374-D376 WeakPolarHBondContact OD1-CB 3.47Å; N374-D376 PolarHBondContact OD1-N 3.11Å; D376-H379 PolarHBondContact O-N 3.33Å; D376-S380 PolarHBondContact O-N 3.09Å; D376-K402 IonicContact OD1-NZ 3.34Å; D376-K402 PolarHBondContact OD1-NZ 2.88Å; D376-K402 WeakPolarHBondContact OD2-CE 3.45Å; D376-K402 IonicContact OD2-NZ 3.53Å; D376-K402 PolarHBondContact OD2-NZ 2.7Å
377	T	92.8	Very high	93.6	Very high	46 Å²	46	47.6 Å²	47.6	28%	0.282	25%	0.252	S	S	.	.	H	α-helix	trans	-64.2	-39.6	173	60.5	0	0	0	0	112.4	N374 H379 S380 F381	N374-T377 PolarHBondContact N-OG1 2.96Å; N374-T377 PolarHBondContact O-N 2.77Å; N374-T377 PolarHBondContact O-OG1 3.3Å; N374-T377 PolarHBondContact OD1-N 2.84Å; T377-H379 VanDerWaalsContact C-N 3.33Å; T377-H379 PolarHBondContact O-N 3.17Å; T377-S380 WeakPolarHBondContact O-CB 3.26Å; T377-S380 PolarHBondContact O-N 2.93Å; T377-F381 WeakPolarHBondContact O-CD2 3.42Å; T377-F381 PolarHBondContact O-N 3.17Å
378	L	94.3	Very high	93.6	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-64.7	-38.8	176.3	-67.6	-179	0	0	0	111.8	Y150 A153 C154 L160 N374 E375 F381 N382 F391	Y150-L378 HydrophobicContact CD1-CD1 3.62Å; Y150-L378 HydrophobicContact CE1-CD1 4.42Å; Y150-L378 HydrophobicContact CG-CD1 4.33Å; A153-L378 HydrophobicContact CB-CB 3.86Å; A153-L378 HydrophobicContact CB-CD1 4.12Å; C154-L378 HydrophobicContact CB-CD1 4.22Å; L160-L378 HydrophobicContact CD2-CD1 4.47Å; N374-L378 PolarHBondContact O-N 3.34Å; E375-L378 PolarHBondContact O-N 3.37Å; L378-F381 PolarHBondContact O-N 3.45Å; L378-N382 PolarHBondContact O-N 3.19Å; L378-F391 HydrophobicContact CD2-CB 4.2Å; L378-F391 HydrophobicContact CD2-CD1 3.64Å; L378-F391 HydrophobicContact CD2-CD2 3.71Å; L378-F391 HydrophobicContact CD2-CE1 3.79Å; L378-F391 HydrophobicContact CD2-CE2 3.84Å; L378-F391 HydrophobicContact CD2-CG 3.59Å; L378-F391 HydrophobicContact CD2-CZ 3.87Å
379	H	90.6	Very high	93.5	Very high	39 Å²	39	50.3 Å²	50.3	18%	0.181	27%	0.267	C	S	.	.	H	α-helix	trans	-67	-40	173.4	-75.1	-56.1	0	0	0	112.9	A153 E375 D376 T377 F381 N382 Q383 I527	A153-H379 WeakPolarHBondContact CA-CE1 3.32Å; A153-H379 VanDerWaalsContact CB-NE2 3.25Å; A153-H379 WeakPolarHBondContact CB-NE2 3.37Å; E375-H379 PolarHBondContact O-CD2 3.25Å; E375-H379 PolarHBondContact O-N 3.44Å; D376-H379 PolarHBondContact O-N 3.33Å; T377-H379 VanDerWaalsContact C-N 3.33Å; T377-H379 PolarHBondContact O-N 3.17Å; H379-F381 VanDerWaalsContact C-N 3.31Å; H379-F381 PolarHBondContact O-N 3.27Å; H379-N382 PolarHBondContact O-N 3.31Å; H379-N382 VanDerWaalsContact O-N 3.14Å; H379-Q383 WeakPolarHBondContact O-CG 3.41Å; H379-Q383 PolarHBondContact O-N 3.34Å; H379-I527 VanDerWaalsContact CD2-CD1 3.47Å; H379-I527 WeakPolarHBondContact CD2-CD1 3.33Å; H379-I527 WeakPolarHBondContact CE1-CD1 3.4Å; H379-I527 WeakPolarHBondContact NE2-CD1 3.4Å; H379-I527 VanDerWaalsContact NE2-CG1 3.28Å; H379-I527 WeakPolarHBondContact NE2-CG1 3.42Å
380	S	91.9	Very high	93.6	Very high	54 Å²	54	50.4 Å²	50.4	38%	0.378	27%	0.267	S	S	.	.	H	α-helix	trans	-59.8	-42	173.7	177.4	0	0	0	0	111.3	D376 T377 N382 Q383 Q384	D376-S380 PolarHBondContact O-N 3.09Å; T377-S380 WeakPolarHBondContact O-CB 3.26Å; T377-S380 PolarHBondContact O-N 2.93Å; S380-N382 VanDerWaalsContact C-N 3.3Å; S380-N382 PolarHBondContact O-N 3.15Å; S380-Q383 PolarHBondContact O-N 3.03Å; S380-Q383 VanDerWaalsContact O-N 3.07Å; S380-Q384 WeakPolarHBondContact O-CG 3.29Å
381	F	93.1	Very high	93.7	Very high	16 Å²	16	50.1 Å²	50.1	7%	0.07	27%	0.265	C	S	.	.	H	α-helix	trans	-59.2	-38.6	173.3	-73.3	-57.9	0	0	0	112.7	M339 A340 L373 T377 L378 H379 Q383 Q384 H386 I388 F391	M339-F381 HydrophobicContact CB-CE1 3.86Å; M339-F381 HydrophobicContact CB-CZ 3.72Å; M339-F381 HydrophobicContact CG-CZ 4.38Å; A340-F381 HydrophobicContact CB-CD1 4.13Å; A340-F381 HydrophobicContact CB-CE1 4.02Å; L373-F381 HydrophobicContact CD2-CE2 4Å; T377-F381 WeakPolarHBondContact O-CD2 3.42Å; T377-F381 PolarHBondContact O-N 3.17Å; L378-F381 PolarHBondContact O-N 3.45Å; H379-F381 VanDerWaalsContact C-N 3.31Å; H379-F381 PolarHBondContact O-N 3.27Å; F381-Q383 PolarHBondContact O-N 3.23Å; F381-Q384 PolarHBondContact O-N 3.04Å; F381-H386 HydrophobicContact CD1-CB 4.48Å; F381-H386 PolarHBondContact O-CD2 2.96Å; F381-I388 HydrophobicContact CD1-CD1 4.14Å; F381-I388 HydrophobicContact CE1-CD1 3.93Å; F381-I388 HydrophobicContact CZ-CD1 4.2Å; F381-F391 HydrophobicContact CB-CZ 4.31Å; F381-F391 AromaticContact CD2-CE1 3.55Å; F381-F391 HydrophobicContact CD2-CE1 3.55Å; F381-F391 AromaticContact CD2-CZ 3.88Å; F381-F391 HydrophobicContact CD2-CZ 3.88Å; F381-F391 AromaticContact CE2-CE1 3.77Å; F381-F391 HydrophobicContact CE2-CE1 3.77Å; F381-F391 HydrophobicContact CG-CE1 4.19Å; F381-F391 HydrophobicContact CG-CZ 4.19Å
382	N	88.8	Confident	94	Very high	81 Å²	81	46.7 Å²	46.7	43%	0.433	25%	0.247	S	C	.	.	H	α-helix	trans	-71.9	-12.3	177.7	-67.3	-27.6	0	0	0	114.4	A153 L378 H379 S380	A153-N382 PolarHBondContact O-ND2 3.08Å; L378-N382 PolarHBondContact O-N 3.19Å; H379-N382 PolarHBondContact O-N 3.31Å; H379-N382 VanDerWaalsContact O-N 3.14Å; S380-N382 VanDerWaalsContact C-N 3.3Å; S380-N382 PolarHBondContact O-N 3.15Å
383	Q	91.2	Very high	94.4	Very high	168 Å²	168	41.5 Å²	41.5	79%	0.785	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-6.2	177.7	-68.7	175.5	3.1	0	0	112.9	H379 S380 F381	H379-Q383 WeakPolarHBondContact O-CG 3.41Å; H379-Q383 PolarHBondContact O-N 3.34Å; S380-Q383 PolarHBondContact O-N 3.03Å; S380-Q383 VanDerWaalsContact O-N 3.07Å; F381-Q383 PolarHBondContact O-N 3.23Å
384	Q	91.7	Very high	94.4	Very high	83 Å²	83	41.9 Å²	41.9	39%	0.388	23%	0.225	S	C	.	.	S	Bend	trans	-132.6	161	-179.2	65.9	-166.5	-2.9	0	0	110.1	A340 S380 F381	A340-Q384 HydrophobicContact CB-CG 4.16Å; S380-Q384 WeakPolarHBondContact O-CG 3.29Å; F381-Q384 PolarHBondContact O-N 3.04Å
385	D	94	Very high	94.5	Very high	138 Å²	138	42 Å²	42	74%	0.738	23%	0.227	S	C	*	.			trans	-72.7	136.1	173.9	-68.9	-39	0	0	0	110.2	L344	L344-D385 HydrophobicContact CD1-CB 4.17Å; L344-D385 WeakPolarHBondContact CD1-O 3.43Å; L344-D385 HydrophobicContact CD2-CB 4.38Å
386	H	96.4	Very high	94.6	Very high	26 Å²	26	42.4 Å²	42.4	12%	0.12	23%	0.229	C	C	.	.			trans	-155.8	157.4	173.5	75.7	103	0	0	0	109.8	K158 A340 F381 I388 F391	K158-H386 WeakPolarHBondContact CE-CE1 3.47Å; K158-H386 PolarHBondContact NZ-CE1 2.93Å; K158-H386 PolarHBondContact NZ-NE2 3.35Å; A340-H386 HydrophobicContact CB-CB 4.11Å; F381-H386 HydrophobicContact CD1-CB 4.48Å; F381-H386 PolarHBondContact O-CD2 2.96Å; H386-I388 WeakPolarHBondContact ND1-CB 3.44Å; H386-I388 PolarHBondContact ND1-N 3.14Å; H386-F391 AromaticContact CE1-CZ 3.75Å
387	S	97.5	Very high	94.9	Very high	29 Å²	29	38.6 Å²	38.6	20%	0.203	21%	0.209	C	C	.	.			trans	-115.9	27.2	-178.2	-74.1	0	0	0	0	113.4	S343 R347	S343-S387 PolarHBondContact OG-N 2.88Å; R347-S387 PolarHBondContact NH2-O 2.74Å
388	I	97.6	Very high	95	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	20%	0.196	C	C	.	.			trans	-77.7	129.7	179.3	-56.2	165.7	0	0	0	109.6	K158 M339 I367 A369 F381 H386 A390 F391	K158-I388 VanDerWaalsContact CD-O 3.27Å; K158-I388 WeakPolarHBondContact CD-O 3.27Å; K158-I388 WeakPolarHBondContact CE-O 3.48Å; M339-I388 HydrophobicContact CB-CD1 4.21Å; I367-I388 HydrophobicContact CG2-CG1 4.37Å; A369-I388 HydrophobicContact CB-CD1 3.84Å; A369-I388 HydrophobicContact CB-CG1 4.23Å; A369-I388 HydrophobicContact CB-CG2 3.52Å; F381-I388 HydrophobicContact CD1-CD1 4.14Å; F381-I388 HydrophobicContact CE1-CD1 3.93Å; F381-I388 HydrophobicContact CZ-CD1 4.2Å; H386-I388 WeakPolarHBondContact ND1-CB 3.44Å; H386-I388 PolarHBondContact ND1-N 3.14Å; I388-A390 VanDerWaalsContact CG2-O 3.32Å; I388-A390 WeakPolarHBondContact CG2-O 3.3Å; I388-F391 HydrophobicContact CB-CE1 4.32Å; I388-F391 HydrophobicContact CB-CZ 4.22Å; I388-F391 HydrophobicContact CD1-CE1 3.74Å; I388-F391 HydrophobicContact CD1-CZ 4.18Å; I388-F391 HydrophobicContact CG2-CD1 4.06Å; I388-F391 HydrophobicContact CG2-CE1 3.8Å; I388-F391 HydrophobicContact CG2-CE2 4.33Å; I388-F391 HydrophobicContact CG2-CG 4.45Å; I388-F391 HydrophobicContact CG2-CZ 3.96Å
389	D	97.9	Very high	95	Very high	57 Å²	57	37.8 Å²	37.8	31%	0.305	20%	0.204	S	C	.	.			trans	-95.7	-27.4	-179.5	-58.5	-59.9	0	0	0	112.6	K158 K159 R347 Q366 I367	K158-D389 WeakPolarHBondContact CA-O 3.35Å; K159-D389 PolarHBondContact N-O 2.92Å; R347-D389 IonicContact CZ-OD2 3.64Å; R347-D389 IonicContact NH2-OD1 3.51Å; R347-D389 IonicContact NH2-OD2 3.96Å; R347-D389 PolarHBondContact NH2-OD2 3.27Å; Q366-D389 WeakPolarHBondContact CA-OD2 3.28Å; I367-D389 PolarHBondContact N-OD2 3.45Å; I367-D389 PolarHBondContact O-N 2.77Å
390	A	97.9	Very high	95.2	Very high	1 Å²	1	36 Å²	36	1%	0.008	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	142	-175.9	0	0	0	0	0	112.6	K159 Y161 I367 L368 A369 I388	K159-A390 HydrophobicContact CB-CB 3.78Å; K159-A390 CarbonylContact O-C 3.56Å; K159-A390 WeakPolarHBondContact O-CA 3.39Å; Y161-A390 HydrophobicContact CD2-CB 4.22Å; Y161-A390 HydrophobicContact CE2-CB 3.73Å; I367-A390 PolarHBondContact O-N 2.82Å; L368-A390 CarbonylContact C-O 3.52Å; L368-A390 WeakPolarHBondContact CA-O 3.38Å; L368-A390 HydrophobicContact CD1-CB 3.87Å; L368-A390 HydrophobicContact CG-CB 3.82Å; A369-A390 PolarHBondContact N-O 3.25Å; I388-A390 VanDerWaalsContact CG2-O 3.32Å; I388-A390 WeakPolarHBondContact CG2-O 3.3Å
391	F	98	Very high	94.9	Very high	1 Å²	1	39.4 Å²	39.4	0%	0.004	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	128.9	176.7	-64	-81	0	0	0	110.7	K158 K159 L160 Y161 A369 L373 L378 F381 H386 I388	K158-F391 HydrophobicContact CB-CE2 4.48Å; K158-F391 HydrophobicContact CD-CE2 3.71Å; K158-F391 HydrophobicContact CD-CZ 4.43Å; K159-F391 PolarHBondContact O-N 3.42Å; L160-F391 CarbonylContact C-O 3.48Å; L160-F391 WeakPolarHBondContact CA-O 3.39Å; L160-F391 HydrophobicContact CD2-CB 3.89Å; Y161-F391 PolarHBondContact N-O 2.93Å; A369-F391 HydrophobicContact CB-CD1 3.78Å; A369-F391 HydrophobicContact CB-CE1 4.14Å; A369-F391 CarbonylContact O-C 3.28Å; A369-F391 WeakPolarHBondContact O-CA 3.06Å; L373-F391 HydrophobicContact CD1-CB 3.89Å; L373-F391 HydrophobicContact CD1-CD1 3.75Å; L373-F391 HydrophobicContact CD1-CG 4.29Å; L378-F391 HydrophobicContact CD2-CB 4.2Å; L378-F391 HydrophobicContact CD2-CD1 3.64Å; L378-F391 HydrophobicContact CD2-CD2 3.71Å; L378-F391 HydrophobicContact CD2-CE1 3.79Å; L378-F391 HydrophobicContact CD2-CE2 3.84Å; L378-F391 HydrophobicContact CD2-CG 3.59Å; L378-F391 HydrophobicContact CD2-CZ 3.87Å; F381-F391 HydrophobicContact CB-CZ 4.31Å; F381-F391 AromaticContact CD2-CE1 3.55Å; F381-F391 HydrophobicContact CD2-CE1 3.55Å; F381-F391 AromaticContact CD2-CZ 3.88Å; F381-F391 HydrophobicContact CD2-CZ 3.88Å; F381-F391 AromaticContact CE2-CE1 3.77Å; F381-F391 HydrophobicContact CE2-CE1 3.77Å; F381-F391 HydrophobicContact CG-CE1 4.19Å; F381-F391 HydrophobicContact CG-CZ 4.19Å; H386-F391 AromaticContact CE1-CZ 3.75Å; I388-F391 HydrophobicContact CB-CE1 4.32Å; I388-F391 HydrophobicContact CB-CZ 4.22Å; I388-F391 HydrophobicContact CD1-CE1 3.74Å; I388-F391 HydrophobicContact CD1-CZ 4.18Å; I388-F391 HydrophobicContact CG2-CD1 4.06Å; I388-F391 HydrophobicContact CG2-CE1 3.8Å; I388-F391 HydrophobicContact CG2-CE2 4.33Å; I388-F391 HydrophobicContact CG2-CG 4.45Å; I388-F391 HydrophobicContact CG2-CZ 3.96Å
392	C	97.4	Very high	94.8	Very high	4 Å²	4	43.5 Å²	43.5	3%	0.027	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	102.9	178.2	-52.1	0	0	0	0	108.6	Y161 F163 A369	Y161-C392 CarbonylContact O-C 3.46Å; Y161-C392 WeakPolarHBondContact O-CA 3.49Å; F163-C392 HydrophobicContact CB-CB 4.33Å; F163-C392 HydrophobicContact CD1-CB 4Å; F163-C392 HydrophobicContact CD2-CB 3.81Å; F163-C392 HydrophobicContact CE1-CB 4.29Å; F163-C392 HydrophobicContact CE2-CB 4.07Å; F163-C392 HydrophobicContact CG-CB 3.79Å; F163-C392 HydrophobicContact CZ-CB 4.32Å; A369-C392 PolarHBondContact O-N 2.83Å
393	V	97.4	Very high	95	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	127.6	-172.4	-172.1	0	0	0	0	109.7	Y150 L160 Y161 F163 Y186 L373 L397	Y150-V393 HydrophobicContact CD1-CG1 4Å; Y150-V393 HydrophobicContact CD1-CG2 4.01Å; Y150-V393 HydrophobicContact CE1-CB 4.44Å; Y150-V393 HydrophobicContact CE1-CG1 3.48Å; Y150-V393 VanDerWaalsContact CE1-CG1 3.48Å; Y150-V393 HydrophobicContact CE1-CG2 4.2Å; L160-V393 HydrophobicContact CD2-CG2 4.09Å; Y161-V393 PolarHBondContact O-N 3.44Å; F163-V393 PolarHBondContact N-O 3.36Å; Y186-V393 HydrophobicContact CE1-CB 4.05Å; Y186-V393 HydrophobicContact CE1-CG2 4.25Å; Y186-V393 WeakPolarHBondContact OH-CB 3.45Å; Y186-V393 WeakPolarHBondContact OH-CG2 3.15Å; L373-V393 HydrophobicContact CB-CG1 4.5Å; L373-V393 HydrophobicContact CB-CG2 4.17Å; L373-V393 HydrophobicContact CD1-CG2 4.33Å; V393-L397 HydrophobicContact CB-CB 4.43Å; V393-L397 HydrophobicContact CG1-CB 3.74Å
394	G	95.5	Very high	95	Very high	15 Å²	15	38.8 Å²	38.8	16%	0.155	21%	0.208	C	C	.	.			trans	-109.2	-105.5	-178.1	0	0	0	0	0	113.2	N396 L397 V398	G394-N396 PolarHBondContact O-N 2.78Å; G394-L397 WeakPolarHBondContact O-CB 3.35Å; G394-L397 PolarHBondContact O-N 3.46Å; G394-L397 VanDerWaalsContact O-N 3.17Å; G394-V398 PolarHBondContact O-N 3.03Å
395	T	95.2	Very high	95.1	Very high	37 Å²	37	37.6 Å²	37.6	23%	0.227	21%	0.212	C	C	.	.	H	α-helix	trans	-48.1	-53.8	-169.1	-45.1	0	0	0	0	113.3	R167 L397 V398 T399	R167-T395 HydrophobicContact CB-CG2 4.22Å; R167-T395 HydrophobicContact CG-CG2 4.47Å; T395-L397 PolarHBondContact O-N 3.3Å; T395-V398 PolarHBondContact O-N 2.63Å; T395-T399 HydrophobicContact CG2-CG2 4.12Å; T395-T399 WeakPolarHBondContact O-CB 3.13Å; T395-T399 WeakPolarHBondContact O-CG2 3.29Å; T395-T399 PolarHBondContact O-N 3.4Å; T395-T399 PolarHBondContact O-OG1 3.2Å
396	N	95.8	Very high	95.1	Very high	13 Å²	13	31.5 Å²	31.5	7%	0.07	18%	0.18	C	C	.	.	H	α-helix	trans	-67.7	-21.9	-171.2	-60	-32.4	0	0	0	113.7	N146 Y150 D372 L373 N374 G394 Q401	N146-N396 PolarHBondContact ND2-O 2.82Å; N146-N396 VanDerWaalsContact ND2-O 3.07Å; Y150-N396 WeakPolarHBondContact OH-CB 3.43Å; D372-N396 PolarHBondContact O-ND2 2.94Å; L373-N396 PolarHBondContact O-ND2 3.24Å; N374-N396 HydrophobicContact CB-CB 4.25Å; G394-N396 PolarHBondContact O-N 2.78Å; N396-Q401 PolarHBondContact OD1-OE1 3.47Å; N396-Q401 VanDerWaalsContact OD1-OE1 3.11Å
397	L	96.8	Very high	95	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-76.2	-59.2	174	176.8	66.7	0	0	0	111.1	N146 A147 Y150 E162 A181 Y186 V393 G394 T395 C400	N146-L397 WeakPolarHBondContact ND2-CA 3.46Å; N146-L397 PolarHBondContact ND2-O 2.81Å; A147-L397 HydrophobicContact CB-CD1 3.85Å; Y150-L397 HydrophobicContact CD2-CD1 4.3Å; E162-L397 HydrophobicContact CB-CD2 4.08Å; E162-L397 HydrophobicContact CG-CD2 3.71Å; A181-L397 HydrophobicContact CB-CD2 3.91Å; Y186-L397 HydrophobicContact CD1-CD2 4.05Å; Y186-L397 HydrophobicContact CE1-CD2 3.41Å; Y186-L397 VanDerWaalsContact CE1-CD2 3.41Å; Y186-L397 HydrophobicContact CE2-CD1 3.84Å; Y186-L397 HydrophobicContact CE2-CD2 3.96Å; V393-L397 HydrophobicContact CB-CB 4.43Å; V393-L397 HydrophobicContact CG1-CB 3.74Å; G394-L397 WeakPolarHBondContact O-CB 3.35Å; G394-L397 PolarHBondContact O-N 3.46Å; G394-L397 VanDerWaalsContact O-N 3.17Å; T395-L397 PolarHBondContact O-N 3.3Å; L397-C400 PolarHBondContact O-N 3.16Å
398	V	95.8	Very high	95	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	19%	0.187	C	C	.	.	H	α-helix	trans	-77.1	-26	-168.1	-57.5	0	0	0	0	112.8	E162 A168 Q169 A177 G394 T395	E162-V398 HydrophobicContact CG-CG1 4.13Å; A168-V398 HydrophobicContact CB-CB 4.13Å; A168-V398 HydrophobicContact CB-CG2 3.92Å; Q169-V398 PolarHBondContact OE1-O 3.35Å; A177-V398 HydrophobicContact CB-CB 3.98Å; A177-V398 HydrophobicContact CB-CG1 3.75Å; G394-V398 PolarHBondContact O-N 3.03Å; T395-V398 PolarHBondContact O-N 2.63Å
399	T	94.6	Very high	94.9	Very high	28 Å²	28	32.1 Å²	32.1	17%	0.172	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-10.7	177.3	64.1	0	0	0	0	113.8	R167 T395 Q401	R167-T399 WeakPolarHBondContact O-CG2 3.38Å; T395-T399 HydrophobicContact CG2-CG2 4.12Å; T395-T399 WeakPolarHBondContact O-CB 3.13Å; T395-T399 WeakPolarHBondContact O-CG2 3.29Å; T395-T399 PolarHBondContact O-N 3.4Å; T395-T399 PolarHBondContact O-OG1 3.2Å; T399-Q401 VanDerWaalsContact C-N 3.31Å; T399-Q401 PolarHBondContact O-N 3.44Å
400	C	93.8	Very high	94.9	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.007	18%	0.178	C	C	.	.			trans	49.9	48.6	-173.5	-62.9	0	0	0	0	112.7	F45 L142 L397 K402 Q403	F45-C400 HydrophobicContact CE1-CB 3.97Å; F45-C400 HydrophobicContact CZ-CB 3.97Å; L142-C400 HydrophobicContact CD2-CB 3.76Å; L142-C400 HydrophobicContact CG-CB 4.05Å; L397-C400 PolarHBondContact O-N 3.16Å; C400-K402 PolarHBondContact O-N 2.93Å; C400-Q403 WeakPolarHBondContact CB-O 3.41Å; C400-Q403 CarbonylContact O-C 3.43Å; C400-Q403 PolarHBondContact O-N 2.79Å
401	Q	87.3	Confident	94.8	Very high	126 Å²	126	31.6 Å²	31.6	59%	0.589	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-42	-42.6	-168.9	-171.3	-171.2	40.8	0	0	115.5	N396 T399 Q403	N396-Q401 PolarHBondContact OD1-OE1 3.47Å; N396-Q401 VanDerWaalsContact OD1-OE1 3.11Å; T399-Q401 VanDerWaalsContact C-N 3.31Å; T399-Q401 PolarHBondContact O-N 3.44Å; Q401-Q403 VanDerWaalsContact C-N 3.31Å; Q401-Q403 PolarHBondContact O-N 2.87Å
402	K	89.3	Confident	94.8	Very high	103 Å²	103	34 Å²	34	45%	0.448	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-28.2	-179.4	-72.3	-176.6	178.9	-179	0	113.3	F45 D376 C400	F45-K402 HydrophobicContact CD1-CB 3.85Å; D376-K402 IonicContact OD1-NZ 3.34Å; D376-K402 PolarHBondContact OD1-NZ 2.88Å; D376-K402 WeakPolarHBondContact OD2-CE 3.45Å; D376-K402 IonicContact OD2-NZ 3.53Å; D376-K402 PolarHBondContact OD2-NZ 2.7Å; C400-K402 PolarHBondContact O-N 2.93Å
403	Q	94.2	Very high	94.8	Very high	44 Å²	44	33.8 Å²	33.8	21%	0.206	20%	0.198	C	C	.	.			trans	-160.3	106.6	179.8	178.4	173.8	-30	0	0	110.1	F45 L142 C400 Q401 A405	F45-Q403 HydrophobicContact CD1-CB 3.75Å; F45-Q403 HydrophobicContact CE1-CB 3.8Å; L142-Q403 WeakPolarHBondContact CD2-O 3.42Å; C400-Q403 WeakPolarHBondContact CB-O 3.41Å; C400-Q403 CarbonylContact O-C 3.43Å; C400-Q403 PolarHBondContact O-N 2.79Å; Q401-Q403 VanDerWaalsContact C-N 3.31Å; Q401-Q403 PolarHBondContact O-N 2.87Å; Q403-A405 VanDerWaalsContact C-N 3.29Å; Q403-A405 VanDerWaalsContact CG-O 3.24Å; Q403-A405 WeakPolarHBondContact CG-O 3.39Å; Q403-A405 PolarHBondContact NE2-O 3.04Å; Q403-A405 PolarHBondContact O-N 3.37Å
404	P	91.6	Very high	94.8	Very high	106 Å²	106	35.4 Å²	35.4	69%	0.688	21%	0.206	S	C	*	.	S	Bend	trans	-80.1	-2.3	-172	31.5	-36.5	0	0	0	114.8	L142	L142-P404 VanDerWaalsContact CD2-C 3.46Å; L142-P404 WeakPolarHBondContact CD2-O 3.21Å
405	A	92.8	Very high	94.9	Very high	58 Å²	58	36.7 Å²	36.7	48%	0.479	21%	0.208	S	C	.	.			trans	-149.5	142.3	178.6	0	0	0	0	0	112.1	Q403	Q403-A405 VanDerWaalsContact C-N 3.29Å; Q403-A405 VanDerWaalsContact CG-O 3.24Å; Q403-A405 WeakPolarHBondContact CG-O 3.39Å; Q403-A405 PolarHBondContact NE2-O 3.04Å; Q403-A405 PolarHBondContact O-N 3.37Å
406	L	94.6	Very high	95	Very high	9 Å²	9	39 Å²	39	5%	0.047	22%	0.219	C	C	.	.			trans	-74.9	-41.6	176.1	179.7	59.6	0	0	0	112.2	F40 P44 T50 L142	F40-L406 HydrophobicContact CB-CD1 4.46Å; F40-L406 HydrophobicContact CB-CG 4.18Å; F40-L406 HydrophobicContact CD1-CD2 4.38Å; F40-L406 HydrophobicContact CD2-CD1 4.23Å; F40-L406 HydrophobicContact CG-CD1 4.25Å; F40-L406 HydrophobicContact CG-CD2 4.48Å; F40-L406 HydrophobicContact CG-CG 4.33Å; P44-L406 HydrophobicContact CB-CD1 4.14Å; P44-L406 HydrophobicContact CG-CD1 3.94Å; T50-L406 HydrophobicContact CG2-CD1 4.2Å; T50-L406 HydrophobicContact CG2-CD2 4.16Å; L142-L406 HydrophobicContact CB-CB 4.34Å; L142-L406 HydrophobicContact CD1-CB 4.32Å
407	G	93.5	Very high	94.9	Very high	39 Å²	39	40.8 Å²	40.8	40%	0.402	24%	0.242	S	C	.	.			trans	82.9	40.3	179.4	0	0	0	0	0	113.5	N138	N138-G407 PolarHBondContact OD1-N 3.3Å
408	C	97.2	Very high	94.9	Very high	10 Å²	10	45 Å²	45	7%	0.068	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	147.1	165.2	-70.7	0	0	0	0	110.6	I38 F39 L134 N138	I38-C408 HydrophobicContact CG2-CB 4.11Å; F39-C408 CarbonylContact O-C 3.51Å; F39-C408 VanDerWaalsContact O-CA 3.28Å; F39-C408 WeakPolarHBondContact O-CA 3.39Å; L134-C408 HydrophobicContact CD2-CB 3.73Å; N138-C408 WeakPolarHBondContact OD1-CB 3.18Å; N138-C408 PolarHBondContact OD1-N 2.93Å
409	V	96.5	Very high	94.9	Very high	21 Å²	21	46.5 Å²	46.5	13%	0.127	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	147.8	173.4	-68.2	0	0	0	0	110.1	I38 F39 K411	I38-V409 VanDerWaalsContact CA-O 3.28Å; I38-V409 WeakPolarHBondContact CA-O 3.11Å; F39-V409 HydrophobicContact CD1-CG2 4.18Å; F39-V409 HydrophobicContact CD2-CG2 3.95Å; F39-V409 HydrophobicContact CE1-CG2 3.85Å; F39-V409 HydrophobicContact CE2-CG2 3.61Å; F39-V409 HydrophobicContact CG-CG2 4.23Å; F39-V409 HydrophobicContact CZ-CG2 3.56Å; F39-V409 PolarHBondContact N-O 2.64Å; F39-V409 VanDerWaalsContact N-O 3.15Å; F39-V409 WeakPolarHBondContact O-CG2 3.28Å; F39-V409 PolarHBondContact O-N 3.45Å; V409-K411 HydrophobicContact CB-CG 4.34Å; V409-K411 HydrophobicContact CG2-CG 4.09Å
410	Y	97.6	Very high	94.8	Very high	3 Å²	3	46.7 Å²	46.7	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.4	174.4	-165.4	-87.8	0	0	0	107.8	F36 E37 I38 V119 C126 E130 L133	F36-Y410 HydrophobicContact CB-CD1 3.87Å; F36-Y410 HydrophobicContact CB-CE1 3.29Å; F36-Y410 HydrophobicContact CB-CE2 4.27Å; F36-Y410 VanDerWaalsContact CB-CZ 3.49Å; F36-Y410 AromaticContact CD1-CD1 3.34Å; F36-Y410 HydrophobicContact CD1-CD1 3.34Å; F36-Y410 AromaticContact CD1-CE1 3.11Å; F36-Y410 HydrophobicContact CD1-CE1 3.11Å; F36-Y410 AromaticContact CD2-CE1 3.97Å; F36-Y410 HydrophobicContact CD2-CE1 3.97Å; F36-Y410 HydrophobicContact CE1-CD1 4.04Å; F36-Y410 AromaticContact CE1-CE1 3.8Å; F36-Y410 HydrophobicContact CE1-CE1 3.8Å; F36-Y410 AromaticContact CG-CD1 3.85Å; F36-Y410 HydrophobicContact CG-CD1 3.85Å; F36-Y410 AromaticContact CG-CE1 3.2Å; F36-Y410 HydrophobicContact CG-CE1 3.2Å; F36-Y410 AromaticContact CG-CZ 3.84Å; F36-Y410 HydrophobicContact CZ-CE1 4.45Å; E37-Y410 WeakPolarHBondContact O-CA 3.27Å; I38-Y410 HydrophobicContact CD1-CD2 3.62Å; I38-Y410 HydrophobicContact CD1-CE2 3.86Å; I38-Y410 HydrophobicContact CG1-CD2 3.47Å; I38-Y410 VanDerWaalsContact CG1-CD2 3.47Å; I38-Y410 HydrophobicContact CG1-CE2 3.9Å; I38-Y410 HydrophobicContact CG1-CG 4.42Å; V119-Y410 HydrophobicContact CB-CE2 4.4Å; V119-Y410 WeakPolarHBondContact CB-OH 3.32Å; V119-Y410 WeakPolarHBondContact CG1-OH 3.43Å; V119-Y410 HydrophobicContact CG2-CE2 3.74Å; V119-Y410 WeakPolarHBondContact CG2-OH 3.49Å; C126-Y410 PolarHBondContact O-OH 2.86Å; E130-Y410 HydrophobicContact CB-CD1 3.89Å; E130-Y410 HydrophobicContact CB-CD2 4.42Å; E130-Y410 HydrophobicContact CB-CE1 3.96Å; E130-Y410 HydrophobicContact CB-CG 4.14Å; E130-Y410 VanDerWaalsContact CD-CD1 3.49Å; E130-Y410 HydrophobicContact CG-CD1 3.6Å; E130-Y410 HydrophobicContact CG-CD2 4.2Å; E130-Y410 HydrophobicContact CG-CE1 4.22Å; E130-Y410 HydrophobicContact CG-CG 3.61Å; E130-Y410 WeakPolarHBondContact OE1-CB 3.47Å; L133-Y410 HydrophobicContact CD1-CE2 4.36Å
411	K	96.7	Very high	94.6	Very high	45 Å²	45	47.9 Å²	47.9	20%	0.196	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	129	-170.1	-67	-73.7	151.5	-98.2	0	111.5	F36 E37 F39 V409 V413 T431	F36-K411 CarbonylContact C-O 3.6Å; F36-K411 VanDerWaalsContact CA-O 3.23Å; F36-K411 WeakPolarHBondContact CA-O 3.23Å; E37-K411 PolarHBondContact N-O 3.04Å; E37-K411 PolarHBondContact O-N 2.72Å; F39-K411 HydrophobicContact CE1-CB 4.17Å; F39-K411 HydrophobicContact CE1-CG 3.96Å; F39-K411 HydrophobicContact CZ-CG 4.2Å; V409-K411 HydrophobicContact CB-CG 4.34Å; V409-K411 HydrophobicContact CG2-CG 4.09Å; K411-V413 PolarHBondContact O-N 2.96Å; K411-T431 HydrophobicContact CB-CG2 3.87Å; K411-T431 HydrophobicContact CG-CG2 4.31Å
412	L	97.2	Very high	94.5	Very high	50 Å²	50	47.9 Å²	47.9	26%	0.262	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	124.3	169.1	-175.9	70.5	0	0	0	109.1	A34 F36 E414 I415 T420	A34-L412 HydrophobicContact CB-CD1 3.89Å; F36-L412 HydrophobicContact CD1-CB 3.92Å; F36-L412 HydrophobicContact CD1-CD1 4.42Å; F36-L412 VanDerWaalsContact CD1-N 3.26Å; F36-L412 HydrophobicContact CD2-CD1 4.03Å; F36-L412 HydrophobicContact CE1-CB 3.67Å; F36-L412 HydrophobicContact CE1-CD1 4.12Å; F36-L412 HydrophobicContact CE1-CG 4.47Å; F36-L412 HydrophobicContact CE2-CD1 3.68Å; F36-L412 HydrophobicContact CG-CD1 4.4Å; F36-L412 HydrophobicContact CZ-CB 4.12Å; F36-L412 HydrophobicContact CZ-CD1 3.74Å; F36-L412 HydrophobicContact CZ-CG 4.46Å; L412-E414 VanDerWaalsContact CD1-O 3.32Å; L412-E414 WeakPolarHBondContact CD1-O 3.49Å; L412-I415 HydrophobicContact CD2-CB 4.46Å; L412-T420 VanDerWaalsContact C-OG1 3.32Å; L412-T420 HydrophobicContact CD2-CG2 4.26Å; L412-T420 PolarHBondContact O-OG1 3.38Å
413	V	97.1	Very high	94.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	-15.4	178.3	-61.8	0	0	0	0	112.7	T35 E37 K411 P419 T420 T431 G434	T35-V413 HydrophobicContact CG2-CG2 3.73Å; T35-V413 WeakPolarHBondContact O-CG2 3.5Å; T35-V413 PolarHBondContact O-N 3.46Å; E37-V413 HydrophobicContact CB-CG1 4.25Å; E37-V413 HydrophobicContact CG-CG1 4.2Å; E37-V413 HydrophobicContact CG-CG2 3.88Å; K411-V413 PolarHBondContact O-N 2.96Å; V413-P419 WeakPolarHBondContact O-CA 3.4Å; V413-T420 WeakPolarHBondContact CA-OG1 3.42Å; V413-T420 PolarHBondContact N-OG1 3.15Å; V413-T420 PolarHBondContact O-N 3.48Å; V413-T420 PolarHBondContact O-OG1 2.88Å; V413-T431 HydrophobicContact CG1-CG2 3.96Å; V413-G434 WeakPolarHBondContact O-CA 3.46Å; V413-G434 PolarHBondContact O-N 3.21Å
414	E	97.7	Very high	93.3	Very high	35 Å²	35	45.7 Å²	45.7	16%	0.164	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	139.1	179.4	-161.8	171.6	97.6	0	0	110.6	A34 T35 L412 T418 T420 K435	A34-E414 WeakPolarHBondContact CA-O 3.4Å; T35-E414 PolarHBondContact N-O 3.19Å; T35-E414 PolarHBondContact O-N 3.36Å; L412-E414 VanDerWaalsContact CD1-O 3.32Å; L412-E414 WeakPolarHBondContact CD1-O 3.49Å; E414-T418 WeakPolarHBondContact CA-O 3.28Å; E414-T420 PolarHBondContact N-OG1 2.82Å; E414-K435 PolarHBondContact OE2-N 3.23Å; E414-K435 VanDerWaalsContact OE2-N 3.17Å
415	I	97.5	Very high	92.3	Very high	41 Å²	41	45.9 Å²	45.9	21%	0.21	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	127	173.9	-170.5	67.9	0	0	0	109.2	D32 T33 A34 V123 L412 G417 T418 T420	D32-I415 HydrophobicContact CB-CD1 3.87Å; D32-I415 HydrophobicContact CB-CG1 4.49Å; T33-I415 CarbonylContact O-C 3.04Å; T33-I415 WeakPolarHBondContact O-CA 2.88Å; A34-I415 HydrophobicContact CB-CD1 3.74Å; V123-I415 HydrophobicContact CB-CD1 4.32Å; V123-I415 HydrophobicContact CG2-CD1 4.27Å; L412-I415 HydrophobicContact CD2-CB 4.46Å; I415-G417 PolarHBondContact O-N 2.86Å; I415-G417 VanDerWaalsContact O-N 3.17Å; I415-T418 PolarHBondContact N-O 2.77Å; I415-T418 WeakPolarHBondContact O-CA 3.26Å; I415-T418 VanDerWaalsContact O-CB 3.3Å; I415-T418 WeakPolarHBondContact O-CB 3.47Å; I415-T418 PolarHBondContact O-N 3.32Å; I415-T420 HydrophobicContact CB-CG2 4.44Å; I415-T420 HydrophobicContact CG2-CG2 3.69Å
416	N	97.2	Very high	91.5	Very high	85 Å²	85	46.2 Å²	46.2	46%	0.455	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.5	43.2	-175.9	-68.8	-23.3	0	0	0	113.1	D32 T33 T418	D32-N416 WeakPolarHBondContact CA-OD1 3.49Å; D32-N416 PolarHBondContact OD1-ND2 3.44Å; D32-N416 PolarHBondContact OD2-ND2 3.44Å; T33-N416 PolarHBondContact N-OD1 3.1Å; T33-N416 PolarHBondContact O-N 3.27Å; N416-T418 PolarHBondContact O-N 2.91Å; N416-T418 VanDerWaalsContact O-N 3.16Å
417	G	94.5	Very high	90.5	Very high	52 Å²	52	51.5 Å²	51.5	54%	0.536	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	72	-1.2	-177.2	0	0	0	0	0	115.2	I415 P419	I415-G417 PolarHBondContact O-N 2.86Å; I415-G417 VanDerWaalsContact O-N 3.17Å; G417-P419 WeakPolarHBondContact O-CD 3.49Å
418	T	96	Very high	89.5	Confident	88 Å²	88	53.4 Å²	53.4	54%	0.54	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	116.8	175.8	-57.3	0	0	0	0	109.8	E414 I415 N416	E414-T418 WeakPolarHBondContact CA-O 3.28Å; I415-T418 PolarHBondContact N-O 2.77Å; I415-T418 WeakPolarHBondContact O-CA 3.26Å; I415-T418 VanDerWaalsContact O-CB 3.3Å; I415-T418 WeakPolarHBondContact O-CB 3.47Å; I415-T418 PolarHBondContact O-N 3.32Å; N416-T418 PolarHBondContact O-N 2.91Å; N416-T418 VanDerWaalsContact O-N 3.16Å
419	P	95.5	Very high	88.6	Confident	32 Å²	32	57.9 Å²	57.9	21%	0.208	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	138	177.8	-27.5	39.3	0	0	0	112.4	V413 G417 P433 F544 L548	V413-P419 WeakPolarHBondContact O-CA 3.4Å; G417-P419 WeakPolarHBondContact O-CD 3.49Å; P419-P433 HydrophobicContact CB-CB 4.2Å; P419-F544 HydrophobicContact CB-CE1 4Å; P419-F544 HydrophobicContact CB-CZ 3.75Å; P419-F544 HydrophobicContact CG-CE1 4.16Å; P419-F544 HydrophobicContact CG-CZ 3.71Å; P419-L548 HydrophobicContact CB-CD2 4.45Å
420	T	92.8	Very high	87.8	Confident	33 Å²	33	58.3 Å²	58.3	20%	0.202	33%	0.325	C	S	.	.			trans	-118.7	150.5	178.3	62.4	0	0	0	0	111	L412 V413 E414 I415 P433	L412-T420 VanDerWaalsContact C-OG1 3.32Å; L412-T420 HydrophobicContact CD2-CG2 4.26Å; L412-T420 PolarHBondContact O-OG1 3.38Å; V413-T420 WeakPolarHBondContact CA-OG1 3.42Å; V413-T420 PolarHBondContact N-OG1 3.15Å; V413-T420 PolarHBondContact O-N 3.48Å; V413-T420 PolarHBondContact O-OG1 2.88Å; E414-T420 PolarHBondContact N-OG1 2.82Å; I415-T420 HydrophobicContact CB-CG2 4.44Å; I415-T420 HydrophobicContact CG2-CG2 3.69Å; T420-P433 WeakPolarHBondContact O-CA 3.34Å
421	M	89.6	Confident	87.2	Confident	26 Å²	26	58.3 Å²	58.3	13%	0.128	33%	0.325	C	S	.	.			trans	-140.4	130.8	178.6	-176.4	172.4	-145.6	0	0	110.2	L430 T431 P433 T545 L548 W549 I552	M421-L430 HydrophobicContact CE-CB 4.47Å; M421-T431 WeakPolarHBondContact CE-O 3.38Å; M421-T431 VanDerWaalsContact CG-O 3.32Å; M421-T431 WeakPolarHBondContact CG-O 3.27Å; M421-P433 HydrophobicContact CB-CB 4.31Å; M421-T545 HydrophobicContact CE-CG2 3.62Å; M421-L548 HydrophobicContact CB-CD2 4.16Å; M421-W549 HydrophobicContact SD-CB 4.09Å; M421-I552 HydrophobicContact CB-CD1 3.86Å; M421-I552 HydrophobicContact CG-CD1 4.32Å; M421-I552 HydrophobicContact SD-CD1 4.48Å
422	K	85	Confident	87	Confident	126 Å²	126	57.4 Å²	57.4	55%	0.548	32%	0.322	S	S	.	.			trans	-82.7	116.3	168.6	-177.7	174.1	-178.4	171.3	0	109.6
423	L	81	Confident	86.9	Confident	59 Å²	59	55 Å²	55	31%	0.309	31%	0.31	S	S	.	.			trans	-70.7	141.3	167	-63.3	-177.3	0	0	0	110.6	I552	L423-I552 HydrophobicContact CD1-CD1 4.4Å; L423-I552 HydrophobicContact CD1-CG1 4.01Å; L423-I552 HydrophobicContact CD2-CD1 3.71Å; L423-I552 HydrophobicContact CD2-CG1 3.78Å; L423-I552 HydrophobicContact CG-CD1 3.89Å; L423-I552 HydrophobicContact CG-CG1 4.01Å
424	S	76.8	Confident	86.8	Confident	42 Å²	42	55.2 Å²	55.2	29%	0.294	31%	0.312	S	S	.	.			trans	-143.5	144.1	171.2	-167.9	0	0	0	0	109.1	D426	S424-D426 PolarHBondContact O-N 3.06Å; S424-D426 PolarHBondContact OG-N 3.47Å
425	A	72	Confident	86.7	Confident	109 Å²	109	55.7 Å²	55.7	90%	0.901	31%	0.313	S	S	*	.	S	Bend	trans	-60.7	-22.5	169.7	0	0	0	0	0	112.2
426	D	76	Confident	86.7	Confident	66 Å²	66	53.9 Å²	53.9	35%	0.353	30%	0.304	S	S	.	.	S	Bend	trans	-97.9	112	174.7	-178.9	1.3	0	0	0	110.1	S424 E428 K429	S424-D426 PolarHBondContact O-N 3.06Å; S424-D426 PolarHBondContact OG-N 3.47Å; D426-E428 PolarHBondContact O-N 3.42Å; D426-E428 VanDerWaalsContact O-N 3.1Å; D426-E428 VanDerWaalsContact OD1-CB 3.27Å; D426-E428 WeakPolarHBondContact OD1-CB 3.4Å; D426-E428 PolarHBondContact OD1-N 2.92Å; D426-K429 HydrophobicContact CB-CB 4.4Å; D426-K429 HydrophobicContact CB-CD 4.15Å; D426-K429 HydrophobicContact CB-CG 4.21Å; D426-K429 PolarHBondContact O-N 3.21Å; D426-K429 WeakPolarHBondContact OD2-CE 3.05Å
427	F	72.8	Confident	86.7	Confident	119 Å²	119	50.6 Å²	50.6	52%	0.522	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-56.3	-25.7	177	-72.9	-84.2	0	0	0	112.9	K429 L430 W549	F427-K429 PolarHBondContact O-N 2.68Å; F427-L430 HydrophobicContact CB-CD1 4.28Å; F427-L430 HydrophobicContact CD1-CD1 3.51Å; F427-L430 HydrophobicContact CE1-CD1 4.25Å; F427-L430 HydrophobicContact CG-CD1 4.26Å; F427-L430 PolarHBondContact O-N 3.47Å; F427-W549 HydrophobicContact CE1-CH2 4.06Å; F427-W549 AromaticContact CE1-CZ2 3.83Å; F427-W549 HydrophobicContact CE1-CZ2 3.83Å; F427-W549 HydrophobicContact CZ-CH2 4.29Å; F427-W549 HydrophobicContact CZ-CZ2 4.16Å
428	E	72.4	Confident	86.9	Confident	80 Å²	80	48.1 Å²	48.1	37%	0.374	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-70	-19.2	176.2	-68.9	-66.1	122	0	0	113	K113 D426	K113-E428 WeakPolarHBondContact CE-OE2 3.31Å; K113-E428 IonicContact NZ-OE1 3.37Å; K113-E428 PolarHBondContact NZ-OE1 3.39Å; K113-E428 IonicContact NZ-OE2 3.11Å; K113-E428 PolarHBondContact NZ-OE2 3.44Å; D426-E428 PolarHBondContact O-N 3.42Å; D426-E428 VanDerWaalsContact O-N 3.1Å; D426-E428 VanDerWaalsContact OD1-CB 3.27Å; D426-E428 WeakPolarHBondContact OD1-CB 3.4Å; D426-E428 PolarHBondContact OD1-N 2.92Å
429	K	78.2	Confident	87	Confident	104 Å²	104	44.8 Å²	44.8	45%	0.452	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-99.6	-1.9	-180	-65.5	-179.8	-172.5	173.4	0	113.8	D426 F427	D426-K429 HydrophobicContact CB-CB 4.4Å; D426-K429 HydrophobicContact CB-CD 4.15Å; D426-K429 HydrophobicContact CB-CG 4.21Å; D426-K429 PolarHBondContact O-N 3.21Å; D426-K429 WeakPolarHBondContact OD2-CE 3.05Å; F427-K429 PolarHBondContact O-N 2.68Å
430	L	79.4	Confident	87.1	Confident	30 Å²	30	43.2 Å²	43.2	16%	0.157	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-60.2	139.1	174	-70.5	172.3	0	0	0	110.7	M421 F427	M421-L430 HydrophobicContact CE-CB 4.47Å; F427-L430 HydrophobicContact CB-CD1 4.28Å; F427-L430 HydrophobicContact CD1-CD1 3.51Å; F427-L430 HydrophobicContact CE1-CD1 4.25Å; F427-L430 HydrophobicContact CG-CD1 4.26Å; F427-L430 PolarHBondContact O-N 3.47Å
431	T	85.1	Confident	87.4	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.012	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-102.7	132.8	177	-52.8	0	0	0	0	108.4	F39 K411 V413 M421	F39-T431 HydrophobicContact CE1-CG2 4.27Å; F39-T431 HydrophobicContact CZ-CG2 4.37Å; K411-T431 HydrophobicContact CB-CG2 3.87Å; K411-T431 HydrophobicContact CG-CG2 4.31Å; V413-T431 HydrophobicContact CG1-CG2 3.96Å; M421-T431 WeakPolarHBondContact CE-O 3.38Å; M421-T431 VanDerWaalsContact CG-O 3.32Å; M421-T431 WeakPolarHBondContact CG-O 3.27Å
432	L	93.2	Very high	87.8	Confident	26 Å²	26	40.4 Å²	40.4	14%	0.136	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-72	132.2	175.5	-68	175	0	0	0	110.3	K436 M453 P472 V537 T545	L432-K436 HydrophobicContact CB-CD 3.76Å; L432-K436 HydrophobicContact CD1-CD 4.15Å; L432-K436 PolarHBondContact O-NZ 2.81Å; L432-M453 HydrophobicContact CD1-CE 3.5Å; L432-M453 VanDerWaalsContact CD1-CE 3.5Å; L432-M453 HydrophobicContact CD1-SD 3.89Å; L432-P472 HydrophobicContact CD2-CB 4.47Å; L432-V537 HydrophobicContact CD1-CG1 3.73Å; L432-T545 HydrophobicContact CD2-CG2 3.82Å
433	P	94.8	Very high	88.4	Confident	1 Å²	1	35 Å²	35	1%	0.006	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-74.5	158	-174.3	31	-36.4	0	0	0	113.2	P419 T420 M421 F544 T545 L548	P419-P433 HydrophobicContact CB-CB 4.2Å; T420-P433 WeakPolarHBondContact O-CA 3.34Å; M421-P433 HydrophobicContact CB-CB 4.31Å; P433-F544 HydrophobicContact CB-CE1 3.96Å; P433-F544 HydrophobicContact CG-CD1 3.93Å; P433-F544 HydrophobicContact CG-CE1 3.69Å; P433-T545 HydrophobicContact CG-CG2 4.49Å; P433-L548 HydrophobicContact CB-CD2 3.37Å; P433-L548 HydrophobicContact CG-CD2 3.79Å
434	G	95.7	Very high	89.2	Confident	4 Å²	4	37.6 Å²	37.6	4%	0.041	20%	0.202	C	C	.	.	S	Bend	trans	71.6	166.4	171.1	0	0	0	0	0	114.1	V413 K436	V413-G434 WeakPolarHBondContact O-CA 3.46Å; V413-G434 PolarHBondContact O-N 3.21Å; G434-K436 PolarHBondContact O-N 2.89Å; G434-K436 PolarHBondContact O-NZ 3.41Å
435	K	95.2	Very high	90	Very high	44 Å²	44	43 Å²	43	19%	0.191	22%	0.222	C	C	.	.			trans	-63.4	119.7	174.5	-174.2	-179.5	-173.3	160.2	0	111.4	T35 E120 E414 S456	T35-K435 HydrophobicContact CG2-CB 4.47Å; T35-K435 HydrophobicContact CG2-CG 4.4Å; E120-K435 WeakPolarHBondContact OE1-CE 3.44Å; E120-K435 IonicContact OE1-NZ 3.39Å; E120-K435 PolarHBondContact OE1-NZ 3.35Å; E120-K435 IonicContact OE2-NZ 3.1Å; E120-K435 PolarHBondContact OE2-NZ 3.01Å; E414-K435 PolarHBondContact OE2-N 3.23Å; E414-K435 VanDerWaalsContact OE2-N 3.17Å; K435-S456 WeakPolarHBondContact O-CB 3.33Å; K435-S456 PolarHBondContact O-N 3.34Å
436	K	96.9	Very high	91.2	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.017	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	148	178.8	-70	164.9	-64.5	-63.1	0	112.9	E37 R118 L432 G434 M453 K454 L541	E37-K436 VanDerWaalsContact CD-CE 3.5Å; E37-K436 WeakPolarHBondContact OE1-CE 3.24Å; E37-K436 PolarHBondContact OE1-N 3.19Å; E37-K436 VanDerWaalsContact OE1-N 3.14Å; E37-K436 IonicContact OE1-NZ 3.8Å; E37-K436 PolarHBondContact OE1-NZ 3.23Å; E37-K436 WeakPolarHBondContact OE2-CE 3.2Å; E37-K436 IonicContact OE2-NZ 3.06Å; E37-K436 PolarHBondContact OE2-NZ 3.03Å; R118-K436 PolarHBondContact NH1-O 3.09Å; L432-K436 HydrophobicContact CB-CD 3.76Å; L432-K436 HydrophobicContact CD1-CD 4.15Å; L432-K436 PolarHBondContact O-NZ 2.81Å; G434-K436 PolarHBondContact O-N 2.89Å; G434-K436 PolarHBondContact O-NZ 3.41Å; K436-M453 HydrophobicContact CD-SD 4.33Å; K436-K454 CarbonylContact C-O 3.54Å; K436-K454 VanDerWaalsContact CA-O 3.24Å; K436-K454 WeakPolarHBondContact CA-O 3.45Å; K436-L541 HydrophobicContact CD-CD2 4.06Å; K436-L541 HydrophobicContact CG-CD2 4.08Å
437	V	97.6	Very high	92.2	Very high	15 Å²	15	39.8 Å²	39.8	9%	0.091	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	140.4	165.3	-179.9	0	0	0	0	108.1	Y439 M453 K454 Q488	V437-Y439 HydrophobicContact CB-CE2 4.16Å; V437-Y439 HydrophobicContact CG1-CD2 4.33Å; V437-Y439 HydrophobicContact CG1-CE1 4.29Å; V437-Y439 HydrophobicContact CG1-CE2 3.58Å; V437-M453 WeakPolarHBondContact O-CA 3.37Å; V437-K454 PolarHBondContact N-O 3.2Å; V437-K454 PolarHBondContact O-N 3.1Å; V437-Q488 HydrophobicContact CG1-CG 3.89Å
438	V	98.3	Very high	93.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	129.4	-173.7	-170.2	0	0	0	0	110.2	V114 P115 D451 M453 Q488 L489 L490	V114-V438 HydrophobicContact CG1-CB 4.27Å; V114-V438 HydrophobicContact CG1-CG1 3.42Å; V114-V438 VanDerWaalsContact CG1-CG1 3.42Å; V114-V438 HydrophobicContact CG1-CG2 3.91Å; P115-V438 HydrophobicContact CB-CG2 4.47Å; P115-V438 HydrophobicContact CG-CG2 4.45Å; V438-D451 HydrophobicContact CG1-CB 4.45Å; V438-M453 HydrophobicContact CG1-CG 4.49Å; V438-M453 HydrophobicContact CG2-CG 4.21Å; V438-Q488 WeakPolarHBondContact O-CA 3.31Å; V438-L489 HydrophobicContact CB-CB 4.32Å; V438-L489 HydrophobicContact CG1-CB 4.42Å; V438-L489 HydrophobicContact CG1-CD1 3.78Å; V438-L489 HydrophobicContact CG1-CG 4.29Å; V438-L489 PolarHBondContact O-N 3.36Å; V438-L490 HydrophobicContact CG2-CD1 4.26Å; V438-L490 HydrophobicContact CG2-CG 4.4Å
439	Y	98.6	Very high	94.5	Very high	18 Å²	18	32.8 Å²	32.8	7%	0.071	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128.8	176.1	-59.5	-85.5	0	0	0	110.7	V437 D451 L452 K454 A460 P461 V486 K487 Q488	V437-Y439 HydrophobicContact CB-CE2 4.16Å; V437-Y439 HydrophobicContact CG1-CD2 4.33Å; V437-Y439 HydrophobicContact CG1-CE1 4.29Å; V437-Y439 HydrophobicContact CG1-CE2 3.58Å; Y439-D451 CarbonylContact O-C 3.51Å; Y439-D451 WeakPolarHBondContact O-CA 3.18Å; Y439-L452 PolarHBondContact N-O 3.34Å; Y439-L452 PolarHBondContact O-N 2.73Å; Y439-K454 HydrophobicContact CD2-CD 4.21Å; Y439-K454 HydrophobicContact CD2-CG 4.2Å; Y439-K454 HydrophobicContact CE2-CB 4.44Å; Y439-K454 HydrophobicContact CE2-CD 4.1Å; Y439-K454 HydrophobicContact CE2-CG 4.25Å; Y439-A460 HydrophobicContact CE1-CB 3.8Å; Y439-A460 WeakPolarHBondContact OH-CB 3.43Å; Y439-P461 HydrophobicContact CD1-CG 4.17Å; Y439-P461 HydrophobicContact CD2-CG 4.05Å; Y439-P461 HydrophobicContact CG-CG 3.79Å; Y439-V486 HydrophobicContact CD1-CG1 3.82Å; Y439-V486 HydrophobicContact CG-CG1 4.39Å; Y439-K487 CarbonylContact C-O 3.57Å; Y439-K487 WeakPolarHBondContact CA-O 2.84Å; Y439-Q488 HydrophobicContact CD1-CB 3.94Å; Y439-Q488 HydrophobicContact CD1-CG 4.39Å; Y439-Q488 HydrophobicContact CE1-CB 3.82Å; Y439-Q488 HydrophobicContact CE1-CG 4.04Å
440	R	98.6	Very high	95.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	124.2	164.4	-176.7	162.6	-71.9	157.2	11.9	109.6	V109 Y442 A448 D451 K487 L489 E516	V109-R440 VanDerWaalsContact O-CZ 3.28Å; V109-R440 PolarHBondContact O-NH1 2.66Å; V109-R440 PolarHBondContact O-NH2 2.91Å; R440-Y442 HydrophobicContact CB-CE2 3.92Å; R440-Y442 VanDerWaalsContact CD-CZ 3.45Å; R440-Y442 WeakPolarHBondContact CD-OH 3.37Å; R440-Y442 HydrophobicContact CG-CD2 4.21Å; R440-Y442 HydrophobicContact CG-CE1 4.19Å; R440-Y442 HydrophobicContact CG-CE2 3.59Å; R440-A448 HydrophobicContact CG-CB 4.26Å; R440-D451 WeakPolarHBondContact CB-OD1 3.31Å; R440-D451 WeakPolarHBondContact CG-OD1 3.45Å; R440-D451 IonicContact CZ-OD1 2.75Å; R440-D451 IonicContact CZ-OD2 3.7Å; R440-D451 IonicContact NE-OD1 2.66Å; R440-D451 PolarHBondContact NE-OD1 2.87Å; R440-D451 IonicContact NE-OD2 2.75Å; R440-D451 IonicContact NH2-OD1 2.66Å; R440-D451 PolarHBondContact NH2-OD1 3.47Å; R440-D451 IonicContact NH2-OD2 3.79Å; R440-D451 PolarHBondContact NH2-OD2 3.34Å; R440-K487 PolarHBondContact N-O 3.36Å; R440-K487 PolarHBondContact O-N 3.26Å; R440-L489 HydrophobicContact CB-CD1 4.24Å; R440-L489 HydrophobicContact CB-CD2 3.82Å; R440-L489 HydrophobicContact CB-CG 4.18Å; R440-E516 IonicContact NH1-OE2 3.7Å; R440-E516 PolarHBondContact NH1-OE2 2.83Å
441	L	98.6	Very high	96.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	130.1	176.6	-56.1	-169	0	0	0	109.2	L449 L450 L452 P461 I467 V481 P483 V486	L441-L449 WeakPolarHBondContact O-CB 3.28Å; L441-L449 PolarHBondContact O-N 3.38Å; L441-L450 HydrophobicContact CB-CD1 4.44Å; L441-L450 HydrophobicContact CD1-CD1 3.81Å; L441-L450 HydrophobicContact CD1-CG 4.41Å; L441-L450 HydrophobicContact CG-CD1 4.05Å; L441-L450 PolarHBondContact N-O 3.21Å; L441-L452 HydrophobicContact CD1-CB 4.46Å; L441-L452 HydrophobicContact CD1-CD2 4.4Å; L441-L452 HydrophobicContact CG-CB 4.48Å; L441-P461 HydrophobicContact CD2-CB 4.21Å; L441-P461 HydrophobicContact CD2-CG 3.88Å; L441-I467 HydrophobicContact CD1-CG2 4.13Å; L441-V481 HydrophobicContact CB-CG1 4.39Å; L441-V481 HydrophobicContact CD1-CB 4.18Å; L441-V481 HydrophobicContact CD1-CG1 3.94Å; L441-P483 HydrophobicContact CB-CB 4.14Å; L441-P483 HydrophobicContact CD2-CB 4.17Å; L441-P483 HydrophobicContact CD2-CG 4.37Å; L441-V486 HydrophobicContact CD2-CG1 4.27Å; L441-V486 HydrophobicContact CD2-CG2 3.97Å
442	Y	98.5	Very high	97	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	152	178.4	-61	-97.1	0	0	0	111.6	R440 G446 E447 A448 P483 G484 R485 K487 T519	R440-Y442 HydrophobicContact CB-CE2 3.92Å; R440-Y442 VanDerWaalsContact CD-CZ 3.45Å; R440-Y442 WeakPolarHBondContact CD-OH 3.37Å; R440-Y442 HydrophobicContact CG-CD2 4.21Å; R440-Y442 HydrophobicContact CG-CE1 4.19Å; R440-Y442 HydrophobicContact CG-CE2 3.59Å; Y442-G446 WeakPolarHBondContact CD1-O 3.38Å; Y442-E447 CarbonylContact C-O 3.51Å; Y442-E447 WeakPolarHBondContact CA-O 3.18Å; Y442-E447 WeakPolarHBondContact CB-O 3.17Å; Y442-A448 HydrophobicContact CD1-CB 4.14Å; Y442-A448 HydrophobicContact CE1-CB 3.94Å; Y442-P483 CarbonylContact O-C 3.5Å; Y442-P483 WeakPolarHBondContact O-CA 3.19Å; Y442-G484 PolarHBondContact O-N 3.06Å; Y442-R485 HydrophobicContact CD2-CB 4.34Å; Y442-R485 HydrophobicContact CD2-CG 4.41Å; Y442-R485 PolarHBondContact N-O 3.08Å; Y442-R485 PolarHBondContact O-N 3.31Å; Y442-K487 HydrophobicContact CE2-CB 3.77Å; Y442-K487 HydrophobicContact CE2-CD 4.17Å; Y442-K487 WeakPolarHBondContact OH-CD 3.25Å; Y442-T519 HydrophobicContact CE1-CG2 4.07Å
443	S	97.5	Very high	97.3	Very high	11 Å²	11	25.2 Å²	25.2	8%	0.077	13%	0.129	C	C	.	.			trans	-68.4	170.8	169.4	72.2	0	0	0	0	111.3	Q445 G446 E447	S443-Q445 PolarHBondContact O-N 3.46Å; S443-Q445 PolarHBondContact OG-N 3.18Å; S443-Q445 PolarHBondContact OG-OE1 2.81Å; S443-G446 PolarHBondContact O-N 3.33Å; S443-G446 VanDerWaalsContact O-N 3.09Å; S443-G446 PolarHBondContact OG-N 3.34Å; S443-E447 PolarHBondContact N-O 2.9Å; S443-E447 WeakPolarHBondContact OG-CB 3.28Å; S443-E447 PolarHBondContact OG-N 3.47Å; S443-E447 VanDerWaalsContact OG-N 3.08Å
444	Q	96.2	Very high	97.4	Very high	115 Å²	115	26.1 Å²	26.1	54%	0.537	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-25.4	172.1	-60.7	-62.8	-7.4	0	0	112	G446 N464 G484	Q444-G446 VanDerWaalsContact C-N 3.3Å; Q444-N464 PolarHBondContact NE2-OD1 2.98Å; Q444-G484 VanDerWaalsContact CD-CA 3.41Å; Q444-G484 VanDerWaalsContact OE1-CA 3.26Å
445	Q	95.2	Very high	97.5	Very high	154 Å²	154	28 Å²	28	72%	0.72	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-2.3	177.4	-60.9	75.4	17.9	0	0	112.9	S443	S443-Q445 PolarHBondContact O-N 3.46Å; S443-Q445 PolarHBondContact OG-N 3.18Å; S443-Q445 PolarHBondContact OG-OE1 2.81Å
446	G	95.5	Very high	97.5	Very high	31 Å²	31	28.3 Å²	28.3	32%	0.32	15%	0.147	S	C	.	.	S	Bend	trans	87.8	9	178.2	0	0	0	0	0	115.4	Y442 S443 Q444	Y442-G446 WeakPolarHBondContact CD1-O 3.38Å; S443-G446 PolarHBondContact O-N 3.33Å; S443-G446 VanDerWaalsContact O-N 3.09Å; S443-G446 PolarHBondContact OG-N 3.34Å; Q444-G446 VanDerWaalsContact C-N 3.3Å
447	E	97.1	Very high	97.4	Very high	77 Å²	77	34.3 Å²	34.3	36%	0.36	17%	0.171	S	C	.	.			trans	-80	138.9	176.6	-56.1	179.1	137.9	0	0	111	Y442 S443 L449 T519 R521	Y442-E447 CarbonylContact C-O 3.51Å; Y442-E447 WeakPolarHBondContact CA-O 3.18Å; Y442-E447 WeakPolarHBondContact CB-O 3.17Å; S443-E447 PolarHBondContact N-O 2.9Å; S443-E447 WeakPolarHBondContact OG-CB 3.28Å; S443-E447 PolarHBondContact OG-N 3.47Å; S443-E447 VanDerWaalsContact OG-N 3.08Å; E447-L449 PolarHBondContact O-N 3.23Å; E447-T519 CarbonylContact C-O 3.56Å; E447-T519 WeakPolarHBondContact CA-O 3.31Å; E447-R521 HydrophobicContact CB-CG 4.43Å; E447-R521 HydrophobicContact CG-CG 4.36Å; E447-R521 WeakPolarHBondContact OE1-CG 3.33Å
448	A	97.7	Very high	97.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	117.6	174.5	0	0	0	0	0	110.3	R440 Y442 T519 L520 Y533	R440-A448 HydrophobicContact CG-CB 4.26Å; Y442-A448 HydrophobicContact CD1-CB 4.14Å; Y442-A448 HydrophobicContact CE1-CB 3.94Å; A448-T519 PolarHBondContact N-O 3.43Å; A448-L520 HydrophobicContact CB-CD2 4.09Å; A448-Y533 HydrophobicContact CB-CE2 4.15Å
449	L	97.4	Very high	97.3	Very high	52 Å²	52	41.1 Å²	41.1	27%	0.272	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-50.5	-175.8	-67.1	175.4	0	0	0	112.9	L441 E447 V481	L441-L449 WeakPolarHBondContact O-CB 3.28Å; L441-L449 PolarHBondContact O-N 3.38Å; E447-L449 PolarHBondContact O-N 3.23Å; L449-V481 HydrophobicContact CD1-CG1 3.81Å
450	L	97.9	Very high	97.2	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	161.7	177.7	62.7	81.2	0	0	0	111.4	L441 L452 C469 V479 V481 Y533 K534	L441-L450 HydrophobicContact CB-CD1 4.44Å; L441-L450 HydrophobicContact CD1-CD1 3.81Å; L441-L450 HydrophobicContact CD1-CG 4.41Å; L441-L450 HydrophobicContact CG-CD1 4.05Å; L441-L450 PolarHBondContact N-O 3.21Å; L450-L452 HydrophobicContact CD1-CB 3.85Å; L450-C469 HydrophobicContact CD1-CB 4.45Å; L450-C469 HydrophobicContact CD2-CB 3.85Å; L450-V479 HydrophobicContact CD2-CG1 4.08Å; L450-V481 HydrophobicContact CD2-CG2 3.66Å; L450-V481 HydrophobicContact CG-CG2 4.42Å; L450-Y533 VanDerWaalsContact C-OH 3.25Å; L450-Y533 VanDerWaalsContact CA-OH 3.27Å; L450-Y533 WeakPolarHBondContact CA-OH 3.39Å; L450-Y533 PolarHBondContact N-OH 2.82Å; L450-K534 VanDerWaalsContact CA-O 3.24Å; L450-K534 WeakPolarHBondContact CA-O 3.39Å; L450-K534 HydrophobicContact CB-CB 3.63Å; L450-K534 VanDerWaalsContact CB-O 3.23Å; L450-K534 WeakPolarHBondContact CB-O 3.25Å
451	D	98.5	Very high	97.2	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	125	166.3	-76.3	-1.7	0	0	0	109.2	F111 V114 V438 Y439 R440 Y533 K534 S536	F111-D451 WeakPolarHBondContact CD2-OD2 3.44Å; V114-D451 HydrophobicContact CG2-CB 4.24Å; V438-D451 HydrophobicContact CG1-CB 4.45Å; Y439-D451 CarbonylContact O-C 3.51Å; Y439-D451 WeakPolarHBondContact O-CA 3.18Å; R440-D451 WeakPolarHBondContact CB-OD1 3.31Å; R440-D451 WeakPolarHBondContact CG-OD1 3.45Å; R440-D451 IonicContact CZ-OD1 2.75Å; R440-D451 IonicContact CZ-OD2 3.7Å; R440-D451 IonicContact NE-OD1 2.66Å; R440-D451 PolarHBondContact NE-OD1 2.87Å; R440-D451 IonicContact NE-OD2 2.75Å; R440-D451 IonicContact NH2-OD1 2.66Å; R440-D451 PolarHBondContact NH2-OD1 3.47Å; R440-D451 IonicContact NH2-OD2 3.79Å; R440-D451 PolarHBondContact NH2-OD2 3.34Å; D451-Y533 HydrophobicContact CB-CE1 4.28Å; D451-K534 PolarHBondContact N-O 3.17Å; D451-K534 VanDerWaalsContact N-O 3.08Å; D451-S536 PolarHBondContact O-N 3.47Å
452	L	98.6	Very high	97.1	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	117.1	-179.9	-179.6	65.4	0	0	0	110	Y439 L441 L450 K454 P461 I467 C469 S536 V537	Y439-L452 PolarHBondContact N-O 3.34Å; Y439-L452 PolarHBondContact O-N 2.73Å; L441-L452 HydrophobicContact CD1-CB 4.46Å; L441-L452 HydrophobicContact CD1-CD2 4.4Å; L441-L452 HydrophobicContact CG-CB 4.48Å; L450-L452 HydrophobicContact CD1-CB 3.85Å; L452-K454 HydrophobicContact CD2-CD 4.15Å; L452-K454 HydrophobicContact CD2-CG 4.24Å; L452-K454 HydrophobicContact CG-CG 4.09Å; L452-P461 HydrophobicContact CD2-CG 4.35Å; L452-I467 HydrophobicContact CD2-CD1 3.64Å; L452-I467 HydrophobicContact CD2-CG1 4.47Å; L452-C469 HydrophobicContact CD1-CB 4.37Å; L452-S536 WeakPolarHBondContact CA-O 3.44Å; L452-V537 VanDerWaalsContact CD1-C 3.44Å
453	M	98.4	Very high	97.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	134.5	170.5	-66.7	179.1	-75.1	0	0	110.4	V114 P115 L432 K436 V437 V438 P472 V535 S536 V537 S538 L541	V114-M453 HydrophobicContact CG2-SD 4.48Å; P115-M453 VanDerWaalsContact CD-SD 3.59Å; L432-M453 HydrophobicContact CD1-CE 3.5Å; L432-M453 VanDerWaalsContact CD1-CE 3.5Å; L432-M453 HydrophobicContact CD1-SD 3.89Å; K436-M453 HydrophobicContact CD-SD 4.33Å; V437-M453 WeakPolarHBondContact O-CA 3.37Å; V438-M453 HydrophobicContact CG1-CG 4.49Å; V438-M453 HydrophobicContact CG2-CG 4.21Å; M453-P472 HydrophobicContact CE-CG 4.43Å; M453-V535 HydrophobicContact CE-CG1 3.58Å; M453-S536 PolarHBondContact N-O 3.17Å; M453-V537 HydrophobicContact CB-CG1 4.2Å; M453-V537 HydrophobicContact CE-CG1 3.98Å; M453-V537 CarbonylContact O-C 3.56Å; M453-V537 VanDerWaalsContact O-CA 3.29Å; M453-V537 WeakPolarHBondContact O-CA 3.36Å; M453-S538 PolarHBondContact O-N 3.43Å; M453-L541 HydrophobicContact CB-CD2 3.94Å
454	K	98.3	Very high	97.1	Very high	20 Å²	20	56.7 Å²	56.7	9%	0.087	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	157.4	176.7	-56.4	-160.9	60.2	165.8	0	109.6	K436 V437 Y439 L452 E458 D459	K436-K454 CarbonylContact C-O 3.54Å; K436-K454 VanDerWaalsContact CA-O 3.24Å; K436-K454 WeakPolarHBondContact CA-O 3.45Å; V437-K454 PolarHBondContact N-O 3.2Å; V437-K454 PolarHBondContact O-N 3.1Å; Y439-K454 HydrophobicContact CD2-CD 4.21Å; Y439-K454 HydrophobicContact CD2-CG 4.2Å; Y439-K454 HydrophobicContact CE2-CB 4.44Å; Y439-K454 HydrophobicContact CE2-CD 4.1Å; Y439-K454 HydrophobicContact CE2-CG 4.25Å; L452-K454 HydrophobicContact CD2-CD 4.15Å; L452-K454 HydrophobicContact CD2-CG 4.24Å; L452-K454 HydrophobicContact CG-CG 4.09Å; K454-E458 HydrophobicContact CB-CB 4.23Å; K454-E458 WeakPolarHBondContact CE-OE2 3.49Å; K454-E458 IonicContact NZ-OE2 3.04Å; K454-E458 PolarHBondContact NZ-OE2 3.33Å; K454-D459 WeakPolarHBondContact CE-O 3.48Å; K454-D459 PolarHBondContact NZ-O 3.34Å
455	R	97	Very high	97.1	Very high	43 Å²	43	56.2 Å²	56.2	16%	0.162	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	152.5	167.2	-56.6	-178.2	72.7	173.6	-1.1	109.4	Y457 E458 L541	R455-Y457 HydrophobicContact CB-CD1 4.34Å; R455-Y457 HydrophobicContact CB-CE1 3.95Å; R455-Y457 VanDerWaalsContact CD-OH 3.25Å; R455-Y457 WeakPolarHBondContact CD-OH 3.3Å; R455-Y457 PolarHBondContact NE-OH 2.91Å; R455-Y457 PolarHBondContact NH1-OH 2.81Å; R455-Y457 PolarHBondContact NH2-OH 2.85Å; R455-Y457 PolarHBondContact O-N 2.91Å; R455-E458 HydrophobicContact CB-CG 4.08Å; R455-E458 WeakPolarHBondContact CB-OE1 3.2Å; R455-E458 WeakPolarHBondContact CG-OE1 3.39Å; R455-E458 PolarHBondContact N-OE1 3.46Å; R455-E458 PolarHBondContact O-N 2.77Å; R455-E458 VanDerWaalsContact O-N 3.16Å; R455-L541 HydrophobicContact CG-CB 4.07Å; R455-L541 HydrophobicContact CG-CD1 3.84Å; R455-L541 HydrophobicContact CG-CG 4.48Å
456	S	94.9	Very high	97.2	Very high	51 Å²	51	57.1 Å²	57.1	36%	0.357	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-21.1	-171	56.5	0	0	0	0	115.9	K435	K435-S456 WeakPolarHBondContact O-CB 3.33Å; K435-S456 PolarHBondContact O-N 3.34Å
457	Y	94.2	Very high	97.3	Very high	131 Å²	131	57 Å²	57	51%	0.514	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-5.3	179.8	62.1	-103.2	0	0	0	112.8	R455 E540	R455-Y457 HydrophobicContact CB-CD1 4.34Å; R455-Y457 HydrophobicContact CB-CE1 3.95Å; R455-Y457 VanDerWaalsContact CD-OH 3.25Å; R455-Y457 WeakPolarHBondContact CD-OH 3.3Å; R455-Y457 PolarHBondContact NE-OH 2.91Å; R455-Y457 PolarHBondContact NH1-OH 2.81Å; R455-Y457 PolarHBondContact NH2-OH 2.85Å; R455-Y457 PolarHBondContact O-N 2.91Å; Y457-E540 WeakPolarHBondContact CE2-OE1 3.43Å; Y457-E540 VanDerWaalsContact CZ-OE1 3.31Å; Y457-E540 PolarHBondContact OH-OE1 2.85Å
458	E	97.2	Very high	97.3	Very high	22 Å²	22	55.1 Å²	55.1	10%	0.103	27%	0.272	C	S	.	.	S	Bend	trans	-72.2	144	175.5	-74.5	179.5	-100.7	0	0	110.9	K454 R455 S538 E540	K454-E458 HydrophobicContact CB-CB 4.23Å; K454-E458 WeakPolarHBondContact CE-OE2 3.49Å; K454-E458 IonicContact NZ-OE2 3.04Å; K454-E458 PolarHBondContact NZ-OE2 3.33Å; R455-E458 HydrophobicContact CB-CG 4.08Å; R455-E458 WeakPolarHBondContact CB-OE1 3.2Å; R455-E458 WeakPolarHBondContact CG-OE1 3.39Å; R455-E458 PolarHBondContact N-OE1 3.46Å; R455-E458 PolarHBondContact O-N 2.77Å; R455-E458 VanDerWaalsContact O-N 3.16Å; E458-S538 VanDerWaalsContact CD-OG 3.25Å; E458-S538 PolarHBondContact OE1-OG 2.99Å; E458-S538 WeakPolarHBondContact OE2-CB 3.15Å; E458-S538 PolarHBondContact OE2-OG 2.8Å; E458-E540 WeakPolarHBondContact CG-OE2 3.28Å
459	D	96.8	Very high	97.4	Very high	135 Å²	135	55.1 Å²	55.1	72%	0.722	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-58.2	142.4	175.4	-72.5	-33	0	0	0	112.4	K454	K454-D459 WeakPolarHBondContact CE-O 3.48Å; K454-D459 PolarHBondContact NZ-O 3.34Å
460	A	97.3	Very high	97.4	Very high	49 Å²	49	54.3 Å²	54.3	41%	0.405	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-61.3	141.8	174	0	0	0	0	0	111	Y439 K462	Y439-A460 HydrophobicContact CE1-CB 3.8Å; Y439-A460 WeakPolarHBondContact OH-CB 3.43Å; A460-K462 PolarHBondContact O-N 3.41Å
461	P	97.5	Very high	97.2	Very high	13 Å²	13	56.1 Å²	56.1	8%	0.084	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-60.8	139.7	170.7	23.3	-27.7	0	0	0	110	Y439 L441 L452 I467 V486	Y439-P461 HydrophobicContact CD1-CG 4.17Å; Y439-P461 HydrophobicContact CD2-CG 4.05Å; Y439-P461 HydrophobicContact CG-CG 3.79Å; L441-P461 HydrophobicContact CD2-CB 4.21Å; L441-P461 HydrophobicContact CD2-CG 3.88Å; L452-P461 HydrophobicContact CD2-CG 4.35Å; P461-I467 HydrophobicContact CB-CD1 3.89Å; P461-V486 HydrophobicContact CB-CG2 4.48Å; P461-V486 HydrophobicContact CG-CG1 3.77Å; P461-V486 HydrophobicContact CG-CG2 4.48Å
462	K	97.7	Very high	96.9	Very high	122 Å²	122	56.9 Å²	56.9	53%	0.53	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-99.2	147.8	-177.9	-66.4	175.1	-175.8	171.5	0	111.3	A460 E465 P483	A460-K462 PolarHBondContact O-N 3.41Å; K462-E465 HydrophobicContact CB-CB 4.04Å; K462-E465 HydrophobicContact CB-CG 3.99Å; K462-E465 VanDerWaalsContact CD-CD 3.45Å; K462-E465 WeakPolarHBondContact CD-OE1 3.22Å; K462-E465 WeakPolarHBondContact CD-OE2 3.1Å; K462-E465 IonicContact NZ-OE1 2.95Å; K462-E465 PolarHBondContact O-N 3.36Å; K462-P483 WeakPolarHBondContact O-CG 3.35Å
463	V	97.9	Very high	96.3	Very high	71 Å²	71	59.5 Å²	59.5	43%	0.43	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	139.1	175.9	175.7	0	0	0	0	109.3	E465 G484 V486	V463-E465 PolarHBondContact O-N 2.84Å; V463-E465 VanDerWaalsContact O-N 3.12Å; V463-G484 VanDerWaalsContact CG1-O 3.32Å; V463-G484 WeakPolarHBondContact CG1-O 3.23Å; V463-V486 HydrophobicContact CG2-CB 4.45Å; V463-V486 HydrophobicContact CG2-CG2 4.1Å
464	N	97.1	Very high	95.9	Very high	102 Å²	102	63.1 Å²	63.1	55%	0.545	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	10.7	-178.4	-58.7	-35	0	0	0	115.7	Q444 P483	Q444-N464 PolarHBondContact NE2-OD1 2.98Å; N464-P483 PolarHBondContact N-O 2.83Å
465	E	97.6	Very high	95.3	Very high	105 Å²	105	64.9 Å²	64.9	49%	0.491	33%	0.33	S	S	.	.			trans	-106.3	137.4	172.8	-67.6	-172.4	-153.6	0	0	110.9	K462 V463 P483	K462-E465 HydrophobicContact CB-CB 4.04Å; K462-E465 HydrophobicContact CB-CG 3.99Å; K462-E465 VanDerWaalsContact CD-CD 3.45Å; K462-E465 WeakPolarHBondContact CD-OE1 3.22Å; K462-E465 WeakPolarHBondContact CD-OE2 3.1Å; K462-E465 IonicContact NZ-OE1 2.95Å; K462-E465 PolarHBondContact O-N 3.36Å; V463-E465 PolarHBondContact O-N 2.84Å; V463-E465 VanDerWaalsContact O-N 3.12Å; E465-P483 VanDerWaalsContact O-CD 3.28Å; E465-P483 WeakPolarHBondContact O-CD 3.36Å
466	R	97.1	Very high	94.9	Very high	172 Å²	172	68 Å²	68	65%	0.649	36%	0.359	S	S	*	.			trans	-75.8	127.4	-176	-174.9	178.8	175.2	-179	-0.2	110.7	F480 V481 V482	R466-F480 HydrophobicContact CG-CB 4.06Å; R466-F480 HydrophobicContact CG-CD1 3.79Å; R466-F480 HydrophobicContact CG-CG 4.26Å; R466-F480 VanDerWaalsContact NE-CD1 3.28Å; R466-V481 WeakPolarHBondContact CA-O 3.32Å; R466-V482 HydrophobicContact CB-CG2 3.96Å; R466-V482 HydrophobicContact CG-CG2 4.19Å
467	I	97.6	Very high	94.9	Very high	30 Å²	30	70.7 Å²	70.7	15%	0.154	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	140.3	177.2	-170.8	165.1	0	0	0	112.1	L441 L452 P461 F480 V481	L441-I467 HydrophobicContact CD1-CG2 4.13Å; L452-I467 HydrophobicContact CD2-CD1 3.64Å; L452-I467 HydrophobicContact CD2-CG1 4.47Å; P461-I467 HydrophobicContact CB-CD1 3.89Å; I467-F480 WeakPolarHBondContact O-CA 3.2Å; I467-V481 HydrophobicContact CG2-CB 4.47Å; I467-V481 PolarHBondContact N-O 2.82Å; I467-V481 PolarHBondContact O-N 2.75Å
468	L	97.7	Very high	94.9	Very high	37 Å²	37	71.9 Å²	71.9	19%	0.194	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	124.2	172.7	180	61.8	0	0	0	110.2	R470 R478 F480	L468-R470 HydrophobicContact CG-CG 4.36Å; L468-R478 HydrophobicContact CD1-CB 4.27Å; L468-F480 HydrophobicContact CB-CD1 4.06Å; L468-F480 HydrophobicContact CB-CE1 3.74Å; L468-F480 HydrophobicContact CB-CZ 4.39Å; L468-F480 HydrophobicContact CD1-CD1 4.31Å; L468-F480 HydrophobicContact CD1-CD2 4.4Å; L468-F480 HydrophobicContact CD1-CE1 4.1Å; L468-F480 HydrophobicContact CD1-CE2 4.19Å; L468-F480 HydrophobicContact CD1-CG 4.48Å; L468-F480 HydrophobicContact CD1-CZ 4.04Å; L468-F480 HydrophobicContact CG-CE1 4.42Å
469	C	98	Very high	94.9	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	125.8	176.5	-59.3	0	0	0	0	109	L450 L452 R478 V479	L450-C469 HydrophobicContact CD1-CB 4.45Å; L450-C469 HydrophobicContact CD2-CB 3.85Å; L452-C469 HydrophobicContact CD1-CB 4.37Å; C469-R478 CarbonylContact O-C 3.52Å; C469-R478 WeakPolarHBondContact O-CA 3.4Å; C469-V479 HydrophobicContact CB-CG1 4.15Å; C469-V479 PolarHBondContact N-O 2.82Å; C469-V479 PolarHBondContact O-N 2.83Å
470	R	97.6	Very high	95	Very high	35 Å²	35	72.4 Å²	72.4	13%	0.132	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	142.6	-179.3	-66.1	-177.5	175.6	-115.4	10.8	111.2	L468 R478 S536 V537 D539 Y542	L468-R470 HydrophobicContact CG-CG 4.36Å; R470-R478 HydrophobicContact CG-CB 4.22Å; R470-S536 CarbonylContact O-C 3.6Å; R470-S536 WeakPolarHBondContact O-CA 3.24Å; R470-S536 VanDerWaalsContact O-CB 3.31Å; R470-S536 WeakPolarHBondContact O-CB 3.45Å; R470-V537 HydrophobicContact CB-CG2 4.24Å; R470-V537 PolarHBondContact N-O 2.89Å; R470-V537 WeakPolarHBondContact O-CG2 3.43Å; R470-V537 PolarHBondContact O-N 3.16Å; R470-D539 IonicContact CZ-OD1 2.7Å; R470-D539 IonicContact NE-OD1 3.97Å; R470-D539 PolarHBondContact NE-OD1 2.73Å; R470-D539 IonicContact NH2-OD1 2.64Å; R470-D539 PolarHBondContact NH2-OD1 2.81Å; R470-Y542 HydrophobicContact CB-CD2 4.02Å; R470-Y542 HydrophobicContact CB-CG 4.36Å
471	H	95.2	Very high	95	Very high	40 Å²	40	70.8 Å²	70.8	19%	0.185	35%	0.353	C	S	.	.			trans	-65.5	138.7	167.3	-170.7	-89.5	0	0	0	109.9	T473 Q474 K477	H471-T473 VanDerWaalsContact C-N 3.26Å; H471-T473 PolarHBondContact CE1-OG1 2.87Å; H471-T473 PolarHBondContact ND1-N 2.89Å; H471-T473 PolarHBondContact ND1-OG1 3.46Å; H471-T473 PolarHBondContact O-N 3.41Å; H471-T473 VanDerWaalsContact O-N 3.15Å; H471-Q474 HydrophobicContact CB-CB 4.19Å; H471-Q474 WeakPolarHBondContact ND1-CB 3.46Å; H471-Q474 PolarHBondContact ND1-N 3.37Å; H471-Q474 VanDerWaalsContact ND1-N 3.14Å; H471-K477 HydrophobicContact CB-CB 3.68Å; H471-K477 VanDerWaalsContact CB-O 3.27Å; H471-K477 WeakPolarHBondContact CB-O 3.27Å; H471-K477 PolarHBondContact N-O 2.82Å
472	P	91.5	Very high	95	Very high	16 Å²	16	73.7 Å²	73.7	10%	0.104	37%	0.37	C	S	.	.	S	Bend	trans	-56.4	-34.3	-174.8	-26.1	32.2	0	0	0	115.1	L432 M453 V537	L432-P472 HydrophobicContact CD2-CB 4.47Å; M453-P472 HydrophobicContact CE-CG 4.43Å; P472-V537 HydrophobicContact CB-CG1 4.37Å; P472-V537 HydrophobicContact CG-CG1 4.12Å
473	T	86.2	Confident	95	Very high	56 Å²	56	67.9 Å²	67.9	34%	0.344	35%	0.345	S	S	.	.	S	Bend	trans	-126.6	-9.9	-173.4	56.3	0	0	0	0	115	H471	H471-T473 VanDerWaalsContact C-N 3.26Å; H471-T473 PolarHBondContact CE1-OG1 2.87Å; H471-T473 PolarHBondContact ND1-N 2.89Å; H471-T473 PolarHBondContact ND1-OG1 3.46Å; H471-T473 PolarHBondContact O-N 3.41Å; H471-T473 VanDerWaalsContact O-N 3.15Å
474	Q	89.1	Confident	95	Very high	76 Å²	76	65.3 Å²	65.3	36%	0.355	33%	0.332	S	S	.	.			trans	-115.5	90.8	-173	-65.4	-178.7	21.1	0	0	108.6	H471 S476 K477	H471-Q474 HydrophobicContact CB-CB 4.19Å; H471-Q474 WeakPolarHBondContact ND1-CB 3.46Å; H471-Q474 PolarHBondContact ND1-N 3.37Å; H471-Q474 VanDerWaalsContact ND1-N 3.14Å; Q474-S476 PolarHBondContact O-N 2.64Å; Q474-S476 VanDerWaalsContact O-N 3.09Å; Q474-K477 HydrophobicContact CB-CB 4.22Å; Q474-K477 HydrophobicContact CB-CD 4.31Å; Q474-K477 HydrophobicContact CB-CG 4.27Å; Q474-K477 PolarHBondContact O-N 3.14Å
475	A	85.3	Confident	95.1	Very high	57 Å²	57	65.8 Å²	65.8	47%	0.471	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-32.8	-171.2	0	0	0	0	0	114.3	K477 Y542	A475-K477 VanDerWaalsContact C-N 3.33Å; A475-Y542 WeakPolarHBondContact CB-OH 3.42Å
476	S	90.4	Very high	95.1	Very high	109 Å²	109	62.5 Å²	62.5	76%	0.762	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-24	177.6	58.2	0	0	0	0	113.5	Q474 R478	Q474-S476 PolarHBondContact O-N 2.64Å; Q474-S476 VanDerWaalsContact O-N 3.09Å; S476-R478 PolarHBondContact O-N 3.06Å
477	K	93.5	Very high	95.2	Very high	106 Å²	106	56 Å²	56	46%	0.461	29%	0.29	S	S	.	.			trans	-87.7	93.4	177.8	-70.6	-169.8	-178.6	163.8	0	110.1	H471 Q474 A475	H471-K477 HydrophobicContact CB-CB 3.68Å; H471-K477 VanDerWaalsContact CB-O 3.27Å; H471-K477 WeakPolarHBondContact CB-O 3.27Å; H471-K477 PolarHBondContact N-O 2.82Å; Q474-K477 HydrophobicContact CB-CB 4.22Å; Q474-K477 HydrophobicContact CB-CD 4.31Å; Q474-K477 HydrophobicContact CB-CG 4.27Å; Q474-K477 PolarHBondContact O-N 3.14Å; A475-K477 VanDerWaalsContact C-N 3.33Å
478	R	95.7	Very high	95.2	Very high	156 Å²	156	58.4 Å²	58.4	59%	0.589	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.9	148.5	175	61.4	-174.4	-179.3	179.6	-1.1	110.4	L468 C469 R470 S476	L468-R478 HydrophobicContact CD1-CB 4.27Å; C469-R478 CarbonylContact O-C 3.52Å; C469-R478 WeakPolarHBondContact O-CA 3.4Å; R470-R478 HydrophobicContact CG-CB 4.22Å; S476-R478 PolarHBondContact O-N 3.06Å
479	V	97.1	Very high	95.2	Very high	60 Å²	60	57 Å²	57	36%	0.364	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	145.2	-175.9	65.6	0	0	0	0	110.4	L450 C469 V481	L450-V479 HydrophobicContact CD2-CG1 4.08Å; C469-V479 HydrophobicContact CB-CG1 4.15Å; C469-V479 PolarHBondContact N-O 2.82Å; C469-V479 PolarHBondContact O-N 2.83Å; V479-V481 HydrophobicContact CG1-CG2 4.15Å
480	F	97.8	Very high	95.2	Very high	109 Å²	109	57 Å²	57	48%	0.478	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	134.2	166.9	-73.6	-80.5	0	0	0	110	R466 I467 L468	R466-F480 HydrophobicContact CG-CB 4.06Å; R466-F480 HydrophobicContact CG-CD1 3.79Å; R466-F480 HydrophobicContact CG-CG 4.26Å; R466-F480 VanDerWaalsContact NE-CD1 3.28Å; I467-F480 WeakPolarHBondContact O-CA 3.2Å; L468-F480 HydrophobicContact CB-CD1 4.06Å; L468-F480 HydrophobicContact CB-CE1 3.74Å; L468-F480 HydrophobicContact CB-CZ 4.39Å; L468-F480 HydrophobicContact CD1-CD1 4.31Å; L468-F480 HydrophobicContact CD1-CD2 4.4Å; L468-F480 HydrophobicContact CD1-CE1 4.1Å; L468-F480 HydrophobicContact CD1-CE2 4.19Å; L468-F480 HydrophobicContact CD1-CG 4.48Å; L468-F480 HydrophobicContact CD1-CZ 4.04Å; L468-F480 HydrophobicContact CG-CE1 4.42Å
481	V	97.6	Very high	95.2	Very high	14 Å²	14	59.7 Å²	59.7	9%	0.085	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	138.7	176.5	180	0	0	0	0	109.2	L441 L449 L450 R466 I467 V479	L441-V481 HydrophobicContact CB-CG1 4.39Å; L441-V481 HydrophobicContact CD1-CB 4.18Å; L441-V481 HydrophobicContact CD1-CG1 3.94Å; L449-V481 HydrophobicContact CD1-CG1 3.81Å; L450-V481 HydrophobicContact CD2-CG2 3.66Å; L450-V481 HydrophobicContact CG-CG2 4.42Å; R466-V481 WeakPolarHBondContact CA-O 3.32Å; I467-V481 HydrophobicContact CG2-CB 4.47Å; I467-V481 PolarHBondContact N-O 2.82Å; I467-V481 PolarHBondContact O-N 2.75Å; V479-V481 HydrophobicContact CG1-CG2 4.15Å
482	V	98	Very high	95.4	Very high	75 Å²	75	59.5 Å²	59.5	46%	0.455	31%	0.306	S	S	.	.			trans	-113.4	97	167	-178.2	0	0	0	0	106.2	R466	R466-V482 HydrophobicContact CB-CG2 3.96Å; R466-V482 HydrophobicContact CG-CG2 4.19Å
483	P	97.9	Very high	95.7	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.303	C	S	.	.			trans	-76.6	132.2	-172.5	30.2	-32.4	0	0	0	111	L441 Y442 K462 N464 E465 R485 V486	L441-P483 HydrophobicContact CB-CB 4.14Å; L441-P483 HydrophobicContact CD2-CB 4.17Å; L441-P483 HydrophobicContact CD2-CG 4.37Å; Y442-P483 CarbonylContact O-C 3.5Å; Y442-P483 WeakPolarHBondContact O-CA 3.19Å; K462-P483 WeakPolarHBondContact O-CG 3.35Å; N464-P483 PolarHBondContact N-O 2.83Å; E465-P483 VanDerWaalsContact O-CD 3.28Å; E465-P483 WeakPolarHBondContact O-CD 3.36Å; P483-R485 VanDerWaalsContact C-N 3.34Å; P483-V486 HydrophobicContact CB-CG2 3.92Å; P483-V486 HydrophobicContact CG-CG2 3.74Å
484	G	97.8	Very high	96.3	Very high	16 Å²	16	56.6 Å²	56.6	17%	0.165	29%	0.287	C	S	.	.	S	Bend	trans	-77.4	-23.5	169.6	0	0	0	0	0	112.8	Y442 Q444 V463	Y442-G484 PolarHBondContact O-N 3.06Å; Q444-G484 VanDerWaalsContact CD-CA 3.41Å; Q444-G484 VanDerWaalsContact OE1-CA 3.26Å; V463-G484 VanDerWaalsContact CG1-O 3.32Å; V463-G484 WeakPolarHBondContact CG1-O 3.23Å
485	R	98.2	Very high	96.7	Very high	112 Å²	112	55.5 Å²	55.5	42%	0.423	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	144.5	170.9	-178.1	-179	70.3	146.3	-1.7	110.4	Y442 P483	Y442-R485 HydrophobicContact CD2-CB 4.34Å; Y442-R485 HydrophobicContact CD2-CG 4.41Å; Y442-R485 PolarHBondContact N-O 3.08Å; Y442-R485 PolarHBondContact O-N 3.31Å; P483-R485 VanDerWaalsContact C-N 3.34Å
486	V	98.3	Very high	97.2	Very high	36 Å²	36	56.4 Å²	56.4	22%	0.218	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.6	176.1	177.7	0	0	0	0	109	Y439 L441 P461 V463 P483	Y439-V486 HydrophobicContact CD1-CG1 3.82Å; Y439-V486 HydrophobicContact CG-CG1 4.39Å; L441-V486 HydrophobicContact CD2-CG1 4.27Å; L441-V486 HydrophobicContact CD2-CG2 3.97Å; P461-V486 HydrophobicContact CB-CG2 4.48Å; P461-V486 HydrophobicContact CG-CG1 3.77Å; P461-V486 HydrophobicContact CG-CG2 4.48Å; V463-V486 HydrophobicContact CG2-CB 4.45Å; V463-V486 HydrophobicContact CG2-CG2 4.1Å; P483-V486 HydrophobicContact CB-CG2 3.92Å; P483-V486 HydrophobicContact CG-CG2 3.74Å
487	K	98.1	Very high	97.4	Very high	36 Å²	36	52.5 Å²	52.5	16%	0.157	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	116.6	177	-178.3	-170.9	177.5	-173.3	0	109.9	Y439 R440 Y442 L489 Y512 E516	Y439-K487 CarbonylContact C-O 3.57Å; Y439-K487 WeakPolarHBondContact CA-O 2.84Å; R440-K487 PolarHBondContact N-O 3.36Å; R440-K487 PolarHBondContact O-N 3.26Å; Y442-K487 HydrophobicContact CE2-CB 3.77Å; Y442-K487 HydrophobicContact CE2-CD 4.17Å; Y442-K487 WeakPolarHBondContact OH-CD 3.25Å; K487-L489 HydrophobicContact CD-CD2 3.98Å; K487-L489 HydrophobicContact CG-CD2 4.22Å; K487-L489 PolarHBondContact O-N 3.09Å; K487-Y512 PolarHBondContact NZ-OH 3.17Å; K487-E516 IonicContact NZ-OE1 2.81Å; K487-E516 PolarHBondContact NZ-OE1 3.29Å; K487-E516 IonicContact NZ-OE2 2.68Å; K487-E516 PolarHBondContact NZ-OE2 3.49Å
488	Q	98.3	Very high	97.6	Very high	81 Å²	81	54 Å²	54	38%	0.379	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	126.3	166.5	-172.2	178	-34	0	0	109.7	V437 V438 Y439 L490	V437-Q488 HydrophobicContact CG1-CG 3.89Å; V438-Q488 WeakPolarHBondContact O-CA 3.31Å; Y439-Q488 HydrophobicContact CD1-CB 3.94Å; Y439-Q488 HydrophobicContact CD1-CG 4.39Å; Y439-Q488 HydrophobicContact CE1-CB 3.82Å; Y439-Q488 HydrophobicContact CE1-CG 4.04Å; Q488-L490 PolarHBondContact NE2-O 3.04Å; Q488-L490 VanDerWaalsContact NE2-O 3.17Å
489	L	98.3	Very high	97.7	Very high	7 Å²	7	49.8 Å²	49.8	4%	0.037	26%	0.258	C	S	.	.			trans	-85.1	-51	-173.3	-62.9	-172.8	0	0	0	112.3	V104 V438 R440 K487	V104-L489 WeakPolarHBondContact CA-O 3.41Å; V104-L489 HydrophobicContact CG1-CB 3.99Å; V438-L489 HydrophobicContact CB-CB 4.32Å; V438-L489 HydrophobicContact CG1-CB 4.42Å; V438-L489 HydrophobicContact CG1-CD1 3.78Å; V438-L489 HydrophobicContact CG1-CG 4.29Å; V438-L489 PolarHBondContact O-N 3.36Å; R440-L489 HydrophobicContact CB-CD1 4.24Å; R440-L489 HydrophobicContact CB-CD2 3.82Å; R440-L489 HydrophobicContact CB-CG 4.18Å; K487-L489 HydrophobicContact CD-CD2 3.98Å; K487-L489 HydrophobicContact CG-CD2 4.22Å; K487-L489 PolarHBondContact O-N 3.09Å
490	L	98.1	Very high	97.7	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	26%	0.262	C	S	.	.			trans	-74.1	126.3	179.5	-65.7	-179	0	0	0	111.2	W102 S103 V104 P115 R118 V438 Q488	W102-L490 HydrophobicContact CB-CB 4.49Å; S103-L490 WeakPolarHBondContact O-CA 3.36Å; V104-L490 HydrophobicContact CG1-CD2 4Å; P115-L490 HydrophobicContact CB-CD1 4.25Å; R118-L490 HydrophobicContact CB-CD1 4.39Å; V438-L490 HydrophobicContact CG2-CD1 4.26Å; V438-L490 HydrophobicContact CG2-CG 4.4Å; Q488-L490 PolarHBondContact NE2-O 3.04Å; Q488-L490 VanDerWaalsContact NE2-O 3.17Å
491	K	97.6	Very high	97.5	Very high	90 Å²	90	48.1 Å²	48.1	39%	0.391	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	147.4	176.4	-56.6	-176.5	-179.7	-174.3	0	109.6	W102 S103 Y493 K501	W102-K491 CarbonylContact C-O 3.55Å; W102-K491 VanDerWaalsContact CA-O 3.3Å; W102-K491 WeakPolarHBondContact CA-O 3.35Å; S103-K491 PolarHBondContact N-O 3.08Å; S103-K491 PolarHBondContact O-N 2.83Å; K491-Y493 HydrophobicContact CB-CE2 4.05Å; K491-Y493 WeakPolarHBondContact O-CD2 3.36Å; K491-Y493 PolarHBondContact O-N 3.18Å; K491-K501 VanDerWaalsContact CD-NZ 3.31Å
492	L	98.2	Very high	97.4	Very high	37 Å²	37	53.1 Å²	53.1	19%	0.194	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	125.8	175.9	-172.3	68	0	0	0	110.2	W102 W494 N495 V500 K501	W102-L492 HydrophobicContact CD2-CB 4.05Å; W102-L492 HydrophobicContact CD2-CD1 4.01Å; W102-L492 HydrophobicContact CE3-CB 3.96Å; W102-L492 VanDerWaalsContact CE3-N 3.3Å; W102-L492 HydrophobicContact CG-CD1 4.22Å; W102-L492 HydrophobicContact CH2-CB 4.02Å; W102-L492 HydrophobicContact CZ2-CB 4.13Å; W102-L492 HydrophobicContact CZ2-CD1 3.99Å; W102-L492 HydrophobicContact CZ2-CD2 4.49Å; W102-L492 HydrophobicContact CZ2-CG 4.44Å; W102-L492 HydrophobicContact CZ3-CB 3.95Å; L492-W494 WeakPolarHBondContact CD1-O 3.13Å; L492-N495 HydrophobicContact CD1-CB 4.25Å; L492-N495 HydrophobicContact CD2-CB 3.94Å; L492-N495 HydrophobicContact CG-CB 4.26Å; L492-V500 HydrophobicContact CD2-CG1 4.45Å; L492-V500 HydrophobicContact CD2-CG2 4.11Å; L492-V500 HydrophobicContact CG-CG2 4.03Å; L492-K501 WeakPolarHBondContact O-CE 3.32Å
493	Y	98.4	Very high	97.3	Very high	6 Å²	6	50.9 Å²	50.9	2%	0.024	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	-36.3	177.2	-76.2	-85.7	0	0	0	112.5	L55 L101 S103 K105 K491 L499 V500 K501 L503	L55-Y493 HydrophobicContact CD1-CD2 4.37Å; L55-Y493 HydrophobicContact CD1-CG 4.36Å; L55-Y493 HydrophobicContact CD2-CD1 4.02Å; L55-Y493 HydrophobicContact CD2-CD2 4.06Å; L55-Y493 HydrophobicContact CD2-CE1 3.8Å; L55-Y493 HydrophobicContact CD2-CE2 3.84Å; L55-Y493 HydrophobicContact CD2-CG 4.15Å; L101-Y493 PolarHBondContact O-N 2.81Å; S103-Y493 WeakPolarHBondContact O-CE2 3.42Å; K105-Y493 WeakPolarHBondContact CA-OH 3.43Å; K491-Y493 HydrophobicContact CB-CE2 4.05Å; K491-Y493 WeakPolarHBondContact O-CD2 3.36Å; K491-Y493 PolarHBondContact O-N 3.18Å; Y493-L499 CarbonylContact O-C 3.59Å; Y493-L499 WeakPolarHBondContact O-CA 3.43Å; Y493-L499 WeakPolarHBondContact O-CD1 3.3Å; Y493-V500 PolarHBondContact O-N 2.82Å; Y493-K501 HydrophobicContact CD1-CD 4.46Å; Y493-K501 VanDerWaalsContact CD1-CE 3.46Å; Y493-K501 HydrophobicContact CD1-CG 4.16Å; Y493-K501 HydrophobicContact CE1-CD 4.22Å; Y493-K501 HydrophobicContact CE1-CG 4.28Å; Y493-K501 VanDerWaalsContact CZ-NZ 3.25Å; Y493-K501 PolarHBondContact OH-NZ 3.45Å; Y493-L503 HydrophobicContact CD1-CD2 3.46Å; Y493-L503 VanDerWaalsContact CD1-CD2 3.46Å; Y493-L503 HydrophobicContact CE1-CD2 3.57Å
494	W	98.5	Very high	97.2	Very high	4 Å²	4	52 Å²	52	2%	0.015	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	132.3	175.2	-167.2	-98.3	0	0	0	109.6	I59 L62 T96 S100 L101 L492 G497 L499	I59-W494 HydrophobicContact CD1-CB 4.03Å; I59-W494 HydrophobicContact CD1-CE3 4.04Å; I59-W494 HydrophobicContact CG2-CE3 4.22Å; I59-W494 HydrophobicContact CG2-CZ3 4.22Å; L62-W494 HydrophobicContact CB-CD2 3.91Å; L62-W494 HydrophobicContact CB-CE3 4.25Å; L62-W494 HydrophobicContact CB-CG 4.35Å; L62-W494 HydrophobicContact CB-CZ2 4.14Å; L62-W494 HydrophobicContact CD1-CB 4.01Å; L62-W494 HydrophobicContact CD1-CD2 4.2Å; L62-W494 HydrophobicContact CD1-CG 3.81Å; L62-W494 WeakPolarHBondContact O-CZ2 3.23Å; T96-W494 PolarHBondContact O-NE1 3.15Å; T96-W494 WeakPolarHBondContact OG1-CZ2 3.24Å; S100-W494 CarbonylContact C-O 3.59Å; S100-W494 VanDerWaalsContact CA-O 3.28Å; S100-W494 WeakPolarHBondContact CA-O 3.5Å; L101-W494 HydrophobicContact CB-CB 3.58Å; L101-W494 PolarHBondContact N-O 3.45Å; L101-W494 PolarHBondContact O-N 3.34Å; L492-W494 WeakPolarHBondContact CD1-O 3.13Å; W494-G497 WeakPolarHBondContact CH2-O 3.46Å; W494-G497 VanDerWaalsContact CZ2-O 3.3Å; W494-G497 WeakPolarHBondContact CZ2-O 3.27Å; W494-L499 HydrophobicContact CZ3-CB 4.48Å
495	N	98.2	Very high	97.1	Very high	53 Å²	53	55 Å²	55	28%	0.283	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	145.3	171.4	-170.9	25.3	0	0	0	110.1	S100 L492 G497 K498 V500	S100-N495 PolarHBondContact OG-OD1 3.31Å; L492-N495 HydrophobicContact CD1-CB 4.25Å; L492-N495 HydrophobicContact CD2-CB 3.94Å; L492-N495 HydrophobicContact CG-CB 4.26Å; N495-G497 PolarHBondContact O-N 2.89Å; N495-K498 PolarHBondContact N-O 3.37Å; N495-K498 VanDerWaalsContact O-CG 3.28Å; N495-K498 WeakPolarHBondContact O-CG 3.06Å; N495-K498 PolarHBondContact O-N 2.93Å; N495-K498 VanDerWaalsContact O-O 3.11Å; N495-V500 HydrophobicContact CB-CG2 3.64Å
496	C	95.5	Very high	97	Very high	76 Å²	76	51.2 Å²	51.2	51%	0.514	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	38.3	178.9	-55.5	0	0	0	0	113.2	K97 K498	K97-C496 VanDerWaalsContact O-CA 3.3Å; K97-C496 WeakPolarHBondContact O-CA 3.32Å; C496-K498 VanDerWaalsContact C-N 3.29Å; C496-K498 PolarHBondContact O-N 3.14Å
497	G	94.9	Very high	96.9	Very high	28 Å²	28	53.6 Å²	53.6	29%	0.289	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.9	20.1	175.8	0	0	0	0	0	114.3	T96 W494 N495	T96-G497 PolarHBondContact O-N 3.09Å; W494-G497 WeakPolarHBondContact CH2-O 3.46Å; W494-G497 VanDerWaalsContact CZ2-O 3.3Å; W494-G497 WeakPolarHBondContact CZ2-O 3.27Å; N495-G497 PolarHBondContact O-N 2.89Å
498	K	97.2	Very high	96.9	Very high	136 Å²	136	56.6 Å²	56.6	59%	0.591	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.8	158.2	179.6	61.3	-178.9	178.9	-175.7	0	113	N495 C496 V500	N495-K498 PolarHBondContact N-O 3.37Å; N495-K498 VanDerWaalsContact O-CG 3.28Å; N495-K498 WeakPolarHBondContact O-CG 3.06Å; N495-K498 PolarHBondContact O-N 2.93Å; N495-K498 VanDerWaalsContact O-O 3.11Å; C496-K498 VanDerWaalsContact C-N 3.29Å; C496-K498 PolarHBondContact O-N 3.14Å; K498-V500 PolarHBondContact O-N 3.02Å
499	L	97.7	Very high	96.9	Very high	69 Å²	69	53 Å²	53	36%	0.361	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	125	168.6	-178.9	61	0	0	0	110	I59 Y493 W494 K501 L503	I59-L499 HydrophobicContact CD1-CD1 4.33Å; I59-L499 HydrophobicContact CG1-CD1 4.43Å; I59-L499 HydrophobicContact CG2-CD1 3.96Å; Y493-L499 CarbonylContact O-C 3.59Å; Y493-L499 WeakPolarHBondContact O-CA 3.43Å; Y493-L499 WeakPolarHBondContact O-CD1 3.3Å; W494-L499 HydrophobicContact CZ3-CB 4.48Å; L499-K501 WeakPolarHBondContact CD1-O 3.33Å; L499-K501 WeakPolarHBondContact CD2-O 3.32Å; L499-K501 WeakPolarHBondContact CG-O 3.27Å; L499-L503 HydrophobicContact CD1-CD2 4.42Å; L499-L503 HydrophobicContact CD1-CG 4.21Å; L499-L503 HydrophobicContact CD2-CG 4.4Å
500	V	97.6	Very high	96.8	Very high	72 Å²	72	54.9 Å²	54.9	44%	0.436	30%	0.297	S	S	.	.	S	Bend	trans	-78.4	-29.9	-176.9	175.5	0	0	0	0	112.2	L492 Y493 N495 K498	L492-V500 HydrophobicContact CD2-CG1 4.45Å; L492-V500 HydrophobicContact CD2-CG2 4.11Å; L492-V500 HydrophobicContact CG-CG2 4.03Å; Y493-V500 PolarHBondContact O-N 2.82Å; N495-V500 HydrophobicContact CB-CG2 3.64Å; K498-V500 PolarHBondContact O-N 3.02Å
501	K	93.8	Very high	96.8	Very high	61 Å²	61	61.4 Å²	61.4	27%	0.265	33%	0.327	S	S	.	.	S	Bend	trans	-153.5	150.3	-179.8	57.4	-179.4	166	161.4	0	110.7	K491 L492 Y493 L499	K491-K501 VanDerWaalsContact CD-NZ 3.31Å; L492-K501 WeakPolarHBondContact O-CE 3.32Å; Y493-K501 HydrophobicContact CD1-CD 4.46Å; Y493-K501 VanDerWaalsContact CD1-CE 3.46Å; Y493-K501 HydrophobicContact CD1-CG 4.16Å; Y493-K501 HydrophobicContact CE1-CD 4.22Å; Y493-K501 HydrophobicContact CE1-CG 4.28Å; Y493-K501 VanDerWaalsContact CZ-NZ 3.25Å; Y493-K501 PolarHBondContact OH-NZ 3.45Å; L499-K501 WeakPolarHBondContact CD1-O 3.33Å; L499-K501 WeakPolarHBondContact CD2-O 3.32Å; L499-K501 WeakPolarHBondContact CG-O 3.27Å
502	P	95.4	Very high	96.8	Very high	119 Å²	119	58.6 Å²	58.6	77%	0.773	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-54.6	141.4	177.2	-25.1	34.3	0	0	0	112.2
503	L	96	Very high	96.7	Very high	28 Å²	28	57 Å²	57	15%	0.147	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-82.9	146.2	170.6	-65.7	178.4	0	0	0	109.7	L55 Q56 I59 Y493 L499	L55-L503 HydrophobicContact CD2-CD2 3.83Å; L55-L503 HydrophobicContact CG-CD2 4.11Å; Q56-L503 HydrophobicContact CB-CD1 4.19Å; Q56-L503 VanDerWaalsContact CD-CD1 3.43Å; Q56-L503 HydrophobicContact CG-CD1 4.41Å; I59-L503 HydrophobicContact CB-CD1 4.06Å; I59-L503 HydrophobicContact CG1-CD1 4.02Å; I59-L503 HydrophobicContact CG2-CD1 4.19Å; Y493-L503 HydrophobicContact CD1-CD2 3.46Å; Y493-L503 VanDerWaalsContact CD1-CD2 3.46Å; Y493-L503 HydrophobicContact CE1-CD2 3.57Å; L499-L503 HydrophobicContact CD1-CD2 4.42Å; L499-L503 HydrophobicContact CD1-CG 4.21Å; L499-L503 HydrophobicContact CD2-CG 4.4Å
504	P	95.1	Very high	96.6	Very high	24 Å²	24	59 Å²	59	16%	0.156	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-62	149.6	173.7	28.3	-35.2	0	0	0	110.7	E106 E508 S509	E106-P504 HydrophobicContact CB-CG 4.37Å; P504-E508 WeakPolarHBondContact CA-OE2 3.32Å; P504-E508 HydrophobicContact CB-CB 3.92Å; P504-S509 VanDerWaalsContact CG-OG 3.26Å; P504-S509 WeakPolarHBondContact CG-OG 3.47Å
505	T	96.1	Very high	96.5	Very high	79 Å²	79	65.6 Å²	65.6	49%	0.485	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-62.3	168.5	168.4	61.9	0	0	0	0	111.4	D507 E508 S509	T505-D507 VanDerWaalsContact C-N 3.31Å; T505-D507 PolarHBondContact O-N 2.97Å; T505-E508 PolarHBondContact N-OE2 3.1Å; T505-E508 PolarHBondContact O-N 2.66Å; T505-E508 WeakPolarHBondContact OG1-CB 3.37Å; T505-E508 WeakPolarHBondContact OG1-CG 3.44Å; T505-E508 PolarHBondContact OG1-N 3.21Å; T505-E508 PolarHBondContact OG1-OE2 3.45Å; T505-S509 WeakPolarHBondContact O-CB 3.46Å; T505-S509 PolarHBondContact O-N 3.03Å; T505-S509 PolarHBondContact O-OG 3.17Å
506	L	95.4	Very high	96.4	Very high	33 Å²	33	63.4 Å²	63.4	17%	0.173	33%	0.333	C	S	.	.	H	α-helix	trans	-59.8	-43.3	177.7	-163.9	76.4	0	0	0	111.5	K179 Y182 L183 I200 S509 R510	K179-L506 HydrophobicContact CG-CD1 3.9Å; Y182-L506 HydrophobicContact CD1-CD2 3.41Å; Y182-L506 VanDerWaalsContact CD1-CD2 3.41Å; Y182-L506 HydrophobicContact CD1-CG 3.82Å; Y182-L506 HydrophobicContact CE1-CD2 3.89Å; Y182-L506 HydrophobicContact CE1-CG 4.25Å; Y182-L506 HydrophobicContact CG-CD2 4.26Å; L183-L506 HydrophobicContact CD1-CD1 4.31Å; L183-L506 HydrophobicContact CD2-CD1 3.51Å; L183-L506 HydrophobicContact CD2-CG 3.95Å; L183-L506 WeakPolarHBondContact CD2-O 3.48Å; L183-L506 HydrophobicContact CG-CD1 3.78Å; I200-L506 HydrophobicContact CD1-CD2 4.12Å; I200-L506 HydrophobicContact CG1-CD2 3.75Å; L506-S509 PolarHBondContact O-N 2.91Å; L506-R510 WeakPolarHBondContact O-CB 3.48Å; L506-R510 PolarHBondContact O-N 3.33Å
507	D	96.6	Very high	96.4	Very high	85 Å²	85	60 Å²	60	46%	0.455	31%	0.31	S	S	.	.	H	α-helix	trans	-66.9	-46.3	178.5	-68.3	-37.1	0	0	0	112	Y182 T505 S509 R510 E511	Y182-D507 WeakPolarHBondContact CE1-OD1 3.01Å; Y182-D507 PolarHBondContact OH-OD1 2.88Å; T505-D507 VanDerWaalsContact C-N 3.31Å; T505-D507 PolarHBondContact O-N 2.97Å; D507-S509 PolarHBondContact O-N 2.88Å; D507-R510 WeakPolarHBondContact O-CB 3.24Å; D507-R510 PolarHBondContact O-N 3.04Å; D507-E511 WeakPolarHBondContact O-CG 3.47Å; D507-E511 PolarHBondContact O-N 2.83Å
508	E	97.8	Very high	96.4	Very high	100 Å²	100	64.7 Å²	64.7	47%	0.467	33%	0.328	S	S	.	.	H	α-helix	trans	-60.8	-34.3	175.8	-72.5	171.3	136.1	0	0	112.2	P504 T505 Y512	P504-E508 WeakPolarHBondContact CA-OE2 3.32Å; P504-E508 HydrophobicContact CB-CB 3.92Å; T505-E508 PolarHBondContact N-OE2 3.1Å; T505-E508 PolarHBondContact O-N 2.66Å; T505-E508 WeakPolarHBondContact OG1-CB 3.37Å; T505-E508 WeakPolarHBondContact OG1-CG 3.44Å; T505-E508 PolarHBondContact OG1-N 3.21Å; T505-E508 PolarHBondContact OG1-OE2 3.45Å; E508-Y512 WeakPolarHBondContact O-CB 3.47Å; E508-Y512 PolarHBondContact O-N 2.77Å
509	S	97.9	Very high	96.4	Very high	4 Å²	4	59 Å²	59	3%	0.028	31%	0.305	C	S	.	.	H	α-helix	trans	-70.2	-45	175.8	-59.9	0	0	0	0	111.3	C107 P504 T505 L506 D507 Y512 A513	C107-S509 WeakPolarHBondContact CB-O 3.36Å; C107-S509 PolarHBondContact SG-O 2.85Å; P504-S509 VanDerWaalsContact CG-OG 3.26Å; P504-S509 WeakPolarHBondContact CG-OG 3.47Å; T505-S509 WeakPolarHBondContact O-CB 3.46Å; T505-S509 PolarHBondContact O-N 3.03Å; T505-S509 PolarHBondContact O-OG 3.17Å; L506-S509 PolarHBondContact O-N 2.91Å; D507-S509 PolarHBondContact O-N 2.88Å; S509-Y512 PolarHBondContact O-N 2.83Å; S509-A513 PolarHBondContact O-N 2.64Å
510	R	96.6	Very high	96.4	Very high	48 Å²	48	55.9 Å²	55.9	18%	0.181	29%	0.289	C	S	.	.	H	α-helix	trans	-58.6	-48.3	174.9	179.5	-176	176.5	-167.1	1.9	111.8	Y182 G185 Y186 D187 L506 D507 Y512 A513 M514	Y182-R510 VanDerWaalsContact CZ-NH1 3.28Å; Y182-R510 WeakPolarHBondContact O-CD 3.49Å; Y182-R510 PolarHBondContact OH-NH1 3.47Å; Y182-R510 VanDerWaalsContact OH-NH1 3.08Å; G185-R510 PolarHBondContact O-NH2 2.72Å; Y186-R510 VanDerWaalsContact O-CZ 3.26Å; Y186-R510 PolarHBondContact O-NH2 2.87Å; D187-R510 IonicContact OD1-NH2 3.98Å; D187-R510 PolarHBondContact OD1-NH2 3.44Å; L506-R510 WeakPolarHBondContact O-CB 3.48Å; L506-R510 PolarHBondContact O-N 3.33Å; D507-R510 WeakPolarHBondContact O-CB 3.24Å; D507-R510 PolarHBondContact O-N 3.04Å; R510-Y512 VanDerWaalsContact C-N 3.3Å; R510-Y512 PolarHBondContact O-N 2.92Å; R510-A513 VanDerWaalsContact O-CB 3.3Å; R510-A513 WeakPolarHBondContact O-CB 3.46Å; R510-A513 PolarHBondContact O-N 2.8Å; R510-M514 PolarHBondContact O-N 2.89Å
511	E	97.2	Very high	96.2	Very high	138 Å²	138	57.4 Å²	57.4	65%	0.645	29%	0.286	S	S	*	.	H	α-helix	trans	-61.5	-41.4	176.5	-72.6	-179.3	-179.7	0	0	111.7	D507 A513 M514 K515	D507-E511 WeakPolarHBondContact O-CG 3.47Å; D507-E511 PolarHBondContact O-N 2.83Å; E511-A513 VanDerWaalsContact C-N 3.33Å; E511-A513 PolarHBondContact O-N 2.82Å; E511-M514 PolarHBondContact O-N 2.78Å; E511-K515 PolarHBondContact O-N 3.01Å
512	Y	98	Very high	96.2	Very high	31 Å²	31	58.9 Å²	58.9	12%	0.122	30%	0.304	C	S	.	.	H	α-helix	trans	-65.4	-35.6	177.5	179.9	-100.2	0	0	0	112.5	K105 E106 C107 S108 K487 E508 S509 R510 M514 K515 E516	K105-Y512 HydrophobicContact CB-CE1 4.04Å; K105-Y512 HydrophobicContact CD-CD1 4.1Å; K105-Y512 HydrophobicContact CD-CD2 4.27Å; K105-Y512 HydrophobicContact CD-CE1 3.81Å; K105-Y512 HydrophobicContact CD-CE2 3.99Å; K105-Y512 HydrophobicContact CD-CG 4.31Å; K105-Y512 HydrophobicContact CG-CD1 4.46Å; K105-Y512 HydrophobicContact CG-CE1 4.05Å; E106-Y512 VanDerWaalsContact O-CD1 3.23Å; E106-Y512 WeakPolarHBondContact O-CD1 3.32Å; E106-Y512 WeakPolarHBondContact O-CE1 3.21Å; C107-Y512 HydrophobicContact CB-CD1 4.23Å; S108-Y512 WeakPolarHBondContact OG-CE1 3.47Å; S108-Y512 PolarHBondContact OG-OH 3.02Å; K487-Y512 PolarHBondContact NZ-OH 3.17Å; E508-Y512 WeakPolarHBondContact O-CB 3.47Å; E508-Y512 PolarHBondContact O-N 2.77Å; S509-Y512 PolarHBondContact O-N 2.83Å; R510-Y512 VanDerWaalsContact C-N 3.3Å; R510-Y512 PolarHBondContact O-N 2.92Å; Y512-M514 PolarHBondContact O-N 2.89Å; Y512-K515 PolarHBondContact O-N 3.39Å; Y512-E516 HydrophobicContact CD1-CG 4.15Å; Y512-E516 HydrophobicContact CD2-CG 4.39Å; Y512-E516 HydrophobicContact CE1-CG 3.66Å; Y512-E516 HydrophobicContact CE2-CG 3.94Å; Y512-E516 HydrophobicContact CG-CG 4.49Å; Y512-E516 WeakPolarHBondContact O-CG 3.45Å; Y512-E516 PolarHBondContact O-N 3.29Å
513	A	97.2	Very high	96.1	Very high	2 Å²	2	53.8 Å²	53.8	2%	0.017	27%	0.271	C	S	.	.	H	α-helix	trans	-55.8	-50.7	172.5	0	0	0	0	0	111.2	I51 C107 S509 R510 E511 K515 E516 L517	I51-A513 HydrophobicContact CG2-CB 4.48Å; C107-A513 HydrophobicContact CB-CB 3.68Å; C107-A513 WeakPolarHBondContact O-CA 3.29Å; S509-A513 PolarHBondContact O-N 2.64Å; R510-A513 VanDerWaalsContact O-CB 3.3Å; R510-A513 WeakPolarHBondContact O-CB 3.46Å; R510-A513 PolarHBondContact O-N 2.8Å; E511-A513 VanDerWaalsContact C-N 3.33Å; E511-A513 PolarHBondContact O-N 2.82Å; A513-K515 VanDerWaalsContact C-N 3.33Å; A513-K515 PolarHBondContact O-N 2.95Å; A513-E516 PolarHBondContact O-N 2.87Å; A513-L517 WeakPolarHBondContact O-CB 3.45Å; A513-L517 PolarHBondContact O-N 2.85Å
514	M	95.1	Very high	96.1	Very high	49 Å²	49	52.9 Å²	52.9	24%	0.241	27%	0.266	C	S	.	.	H	α-helix	trans	-64.4	-39.8	-179.8	-62.2	-58.7	157.6	0	0	111.5	R151 G184 G185 R510 E511 Y512 L517 N518	R151-M514 HydrophobicContact CG-CE 3.93Å; R151-M514 HydrophobicContact CG-SD 4.4Å; G184-M514 WeakPolarHBondContact O-CE 3.23Å; G185-M514 VanDerWaalsContact CA-CE 3.44Å; R510-M514 PolarHBondContact O-N 2.89Å; E511-M514 PolarHBondContact O-N 2.78Å; Y512-M514 PolarHBondContact O-N 2.89Å; M514-L517 PolarHBondContact O-N 2.85Å; M514-N518 WeakPolarHBondContact O-CB 3.29Å; M514-N518 VanDerWaalsContact O-CG 3.22Å; M514-N518 PolarHBondContact O-N 2.95Å; M514-N518 PolarHBondContact O-ND2 2.79Å
515	K	96.3	Very high	96	Very high	143 Å²	143	54.3 Å²	54.3	62%	0.622	27%	0.269	S	S	*	.	H	α-helix	trans	-62.2	-47.2	175.3	-175.5	175.5	-179.1	170.1	0	112.1	E511 Y512 A513 L517 N518 T519	E511-K515 PolarHBondContact O-N 3.01Å; Y512-K515 PolarHBondContact O-N 3.39Å; A513-K515 VanDerWaalsContact C-N 3.33Å; A513-K515 PolarHBondContact O-N 2.95Å; K515-L517 VanDerWaalsContact C-N 3.34Å; K515-N518 PolarHBondContact O-N 2.69Å; K515-T519 WeakPolarHBondContact O-CG2 3.47Å; K515-T519 PolarHBondContact O-N 2.91Å
516	E	96.5	Very high	95.7	Very high	7 Å²	7	57 Å²	57	3%	0.033	27%	0.27	C	S	.	.	H	α-helix	trans	-65.1	-39.7	178.3	-70.7	-78.7	114.2	0	0	111.1	V109 R440 K487 Y512 A513 N518 T519	V109-E516 HydrophobicContact CB-CB 4.4Å; V109-E516 HydrophobicContact CG2-CB 3.78Å; R440-E516 IonicContact NH1-OE2 3.7Å; R440-E516 PolarHBondContact NH1-OE2 2.83Å; K487-E516 IonicContact NZ-OE1 2.81Å; K487-E516 PolarHBondContact NZ-OE1 3.29Å; K487-E516 IonicContact NZ-OE2 2.68Å; K487-E516 PolarHBondContact NZ-OE2 3.49Å; Y512-E516 HydrophobicContact CD1-CG 4.15Å; Y512-E516 HydrophobicContact CD2-CG 4.39Å; Y512-E516 HydrophobicContact CE1-CG 3.66Å; Y512-E516 HydrophobicContact CE2-CG 3.94Å; Y512-E516 HydrophobicContact CG-CG 4.49Å; Y512-E516 WeakPolarHBondContact O-CG 3.45Å; Y512-E516 PolarHBondContact O-N 3.29Å; A513-E516 PolarHBondContact O-N 2.87Å; E516-N518 VanDerWaalsContact C-N 3.27Å; E516-N518 PolarHBondContact O-N 3Å; E516-T519 WeakPolarHBondContact O-CB 3.2Å; E516-T519 PolarHBondContact O-N 3.48Å; E516-T519 PolarHBondContact O-OG1 3.14Å
517	L	95.4	Very high	95.1	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-63.6	-32.3	176.8	-168	66.9	0	0	0	112.9	F49 T148 L152 A513 M514 K515 T519 L520 K525	F49-L517 HydrophobicContact CD2-CD1 4.08Å; F49-L517 HydrophobicContact CE1-CD1 4.34Å; F49-L517 HydrophobicContact CE2-CD1 3.87Å; F49-L517 HydrophobicContact CG-CD1 4.42Å; F49-L517 HydrophobicContact CZ-CD1 4.01Å; T148-L517 HydrophobicContact CG2-CD1 4.36Å; T148-L517 HydrophobicContact CG2-CD2 3.55Å; L152-L517 HydrophobicContact CD1-CD1 4.41Å; L152-L517 HydrophobicContact CD1-CD2 4.04Å; L152-L517 HydrophobicContact CD2-CD2 3.68Å; L152-L517 HydrophobicContact CG-CD2 3.93Å; A513-L517 WeakPolarHBondContact O-CB 3.45Å; A513-L517 PolarHBondContact O-N 2.85Å; M514-L517 PolarHBondContact O-N 2.85Å; K515-L517 VanDerWaalsContact C-N 3.34Å; L517-T519 VanDerWaalsContact C-N 3.27Å; L517-T519 PolarHBondContact O-N 3.15Å; L517-L520 HydrophobicContact CD1-CD1 4.18Å; L517-L520 WeakPolarHBondContact O-CB 3.14Å; L517-L520 PolarHBondContact O-N 2.82Å; L517-K525 HydrophobicContact CD1-CD 3.87Å; L517-K525 HydrophobicContact CD1-CG 4.32Å; L517-K525 HydrophobicContact CG-CD 3.96Å; L517-K525 PolarHBondContact O-NZ 2.95Å
518	N	95.7	Very high	94.5	Very high	126 Å²	126	59.9 Å²	59.9	67%	0.674	29%	0.29	S	S	*	.	H	α-helix	trans	-72.1	-18.9	174.5	-73.5	-19.7	0	0	0	113.2	M514 K515 E516 L520	M514-N518 WeakPolarHBondContact O-CB 3.29Å; M514-N518 VanDerWaalsContact O-CG 3.22Å; M514-N518 PolarHBondContact O-N 2.95Å; M514-N518 PolarHBondContact O-ND2 2.79Å; K515-N518 PolarHBondContact O-N 2.69Å; E516-N518 VanDerWaalsContact C-N 3.27Å; E516-N518 PolarHBondContact O-N 3Å; N518-L520 PolarHBondContact O-N 3.48Å
519	T	97	Very high	94.1	Very high	17 Å²	17	64 Å²	64	10%	0.104	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-16.3	171.4	74.4	0	0	0	0	112.9	Y442 E447 A448 K515 E516 L517	Y442-T519 HydrophobicContact CE1-CG2 4.07Å; E447-T519 CarbonylContact C-O 3.56Å; E447-T519 WeakPolarHBondContact CA-O 3.31Å; A448-T519 PolarHBondContact N-O 3.43Å; K515-T519 WeakPolarHBondContact O-CG2 3.47Å; K515-T519 PolarHBondContact O-N 2.91Å; E516-T519 WeakPolarHBondContact O-CB 3.2Å; E516-T519 PolarHBondContact O-N 3.48Å; E516-T519 PolarHBondContact O-OG1 3.14Å; L517-T519 VanDerWaalsContact C-N 3.27Å; L517-T519 PolarHBondContact O-N 3.15Å
520	L	97.1	Very high	93.9	Very high	4 Å²	4	64.8 Å²	64.8	2%	0.021	31%	0.311	C	S	.	.	S	Bend	trans	-82.8	132.4	175.3	-53.3	-174.2	0	0	0	110.2	F49 V109 F111 A448 L517 N518 Y524 K525 Y533	F49-L520 HydrophobicContact CB-CD1 3.9Å; F49-L520 HydrophobicContact CG-CD1 4.29Å; V109-L520 HydrophobicContact CG1-CD1 3.87Å; V109-L520 HydrophobicContact CG1-CD2 4.22Å; V109-L520 HydrophobicContact CG1-CG 4.43Å; V109-L520 HydrophobicContact CG2-CD1 4.25Å; F111-L520 HydrophobicContact CZ-CD2 3.9Å; A448-L520 HydrophobicContact CB-CD2 4.09Å; L517-L520 HydrophobicContact CD1-CD1 4.18Å; L517-L520 WeakPolarHBondContact O-CB 3.14Å; L517-L520 PolarHBondContact O-N 2.82Å; N518-L520 PolarHBondContact O-N 3.48Å; L520-Y524 HydrophobicContact CB-CD2 4.31Å; L520-K525 HydrophobicContact CB-CD 4.3Å; L520-K525 HydrophobicContact CB-CG 4.39Å; L520-K525 HydrophobicContact CD1-CG 4.5Å; L520-K525 VanDerWaalsContact O-CE 3.25Å; L520-K525 WeakPolarHBondContact O-CE 3.4Å; L520-K525 PolarHBondContact O-NZ 3.04Å; L520-Y533 HydrophobicContact CD2-CE2 4.43Å
521	R	95	Very high	93.8	Very high	103 Å²	103	64.9 Å²	64.9	39%	0.389	32%	0.317	S	S	.	.			trans	-56.2	152.7	167	-69.9	169.6	32.4	164.1	-1.2	111.4	E447 D523 Y524	E447-R521 HydrophobicContact CB-CG 4.43Å; E447-R521 HydrophobicContact CG-CG 4.36Å; E447-R521 WeakPolarHBondContact OE1-CG 3.33Å; R521-D523 WeakPolarHBondContact CB-OD1 3.31Å; R521-D523 IonicContact CZ-OD1 3.9Å; R521-D523 IonicContact CZ-OD2 2.73Å; R521-D523 IonicContact NE-OD1 3.37Å; R521-D523 PolarHBondContact NE-OD1 3.39Å; R521-D523 IonicContact NE-OD2 2.78Å; R521-D523 VanDerWaalsContact NH2-CG 3.27Å; R521-D523 IonicContact NH2-OD1 2.92Å; R521-D523 PolarHBondContact NH2-OD1 2.65Å; R521-D523 IonicContact NH2-OD2 2.64Å; R521-D523 PolarHBondContact NH2-OD2 3.47Å; R521-D523 PolarHBondContact O-N 2.97Å; R521-Y524 HydrophobicContact CB-CD2 3.88Å; R521-Y524 HydrophobicContact CB-CE2 3.99Å; R521-Y524 HydrophobicContact CG-CE2 4.4Å; R521-Y524 PolarHBondContact O-N 3.34Å
522	S	92.6	Very high	93.7	Very high	92 Å²	92	64.1 Å²	64.1	64%	0.643	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-61	-28.3	-177.2	56.1	0	0	0	0	113.4	Y524 K525 R526	S522-Y524 VanDerWaalsContact C-N 3.33Å; S522-Y524 PolarHBondContact O-N 2.96Å; S522-K525 PolarHBondContact O-N 3.28Å; S522-K525 VanDerWaalsContact O-N 3.11Å; S522-R526 PolarHBondContact O-N 3.14Å
523	D	94.1	Very high	93.6	Very high	13 Å²	13	63.1 Å²	63.1	7%	0.07	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-70.9	-24.9	-179.2	64.2	-47.8	0	0	0	114.2	R521 K525 P530 T531	R521-D523 WeakPolarHBondContact CB-OD1 3.31Å; R521-D523 IonicContact CZ-OD1 3.9Å; R521-D523 IonicContact CZ-OD2 2.73Å; R521-D523 IonicContact NE-OD1 3.37Å; R521-D523 PolarHBondContact NE-OD1 3.39Å; R521-D523 IonicContact NE-OD2 2.78Å; R521-D523 VanDerWaalsContact NH2-CG 3.27Å; R521-D523 IonicContact NH2-OD1 2.92Å; R521-D523 PolarHBondContact NH2-OD1 2.65Å; R521-D523 IonicContact NH2-OD2 2.64Å; R521-D523 PolarHBondContact NH2-OD2 3.47Å; R521-D523 PolarHBondContact O-N 2.97Å; D523-K525 VanDerWaalsContact C-N 3.28Å; D523-P530 WeakPolarHBondContact O-CA 3.32Å; D523-T531 WeakPolarHBondContact CB-OG1 3.44Å; D523-T531 PolarHBondContact O-N 2.86Å; D523-T531 WeakPolarHBondContact OD2-CB 3.3Å; D523-T531 PolarHBondContact OD2-OG1 3.28Å
524	Y	94.3	Very high	93.6	Very high	8 Å²	8	68.5 Å²	68.5	3%	0.031	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-72.8	-21.4	170.4	-59.9	-52.1	0	0	0	113	L520 R521 S522 T531 Y533	L520-Y524 HydrophobicContact CB-CD2 4.31Å; R521-Y524 HydrophobicContact CB-CD2 3.88Å; R521-Y524 HydrophobicContact CB-CE2 3.99Å; R521-Y524 HydrophobicContact CG-CE2 4.4Å; R521-Y524 PolarHBondContact O-N 3.34Å; S522-Y524 VanDerWaalsContact C-N 3.33Å; S522-Y524 PolarHBondContact O-N 2.96Å; Y524-T531 HydrophobicContact CD1-CG2 4.31Å; Y524-T531 VanDerWaalsContact CD1-O 3.27Å; Y524-T531 WeakPolarHBondContact CD1-O 3.27Å; Y524-T531 HydrophobicContact CE1-CG2 3.84Å; Y524-Y533 HydrophobicContact CD1-CD2 4.33Å; Y524-Y533 HydrophobicContact CD2-CD2 4.23Å; Y524-Y533 HydrophobicContact CE1-CD2 4.1Å; Y524-Y533 AromaticContact CE2-CD2 3.95Å; Y524-Y533 HydrophobicContact CE2-CD2 3.95Å; Y524-Y533 HydrophobicContact CE2-CE2 4.29Å; Y524-Y533 HydrophobicContact CG-CD2 4.43Å; Y524-Y533 AromaticContact CZ-CD2 3.91Å
525	K	93.4	Very high	93.6	Very high	54 Å²	54	67 Å²	67	24%	0.235	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-101.4	4	-173.8	-64.8	-180	-71.3	-162	0	113.4	F49 L152 L517 L520 S522 D523	F49-K525 HydrophobicContact CD1-CG 4.46Å; F49-K525 HydrophobicContact CE1-CG 4.38Å; L152-K525 HydrophobicContact CD1-CB 4.42Å; L152-K525 HydrophobicContact CD1-CD 4.46Å; L517-K525 HydrophobicContact CD1-CD 3.87Å; L517-K525 HydrophobicContact CD1-CG 4.32Å; L517-K525 HydrophobicContact CG-CD 3.96Å; L517-K525 PolarHBondContact O-NZ 2.95Å; L520-K525 HydrophobicContact CB-CD 4.3Å; L520-K525 HydrophobicContact CB-CG 4.39Å; L520-K525 HydrophobicContact CD1-CG 4.5Å; L520-K525 VanDerWaalsContact O-CE 3.25Å; L520-K525 WeakPolarHBondContact O-CE 3.4Å; L520-K525 PolarHBondContact O-NZ 3.04Å; S522-K525 PolarHBondContact O-N 3.28Å; S522-K525 VanDerWaalsContact O-N 3.11Å; D523-K525 VanDerWaalsContact C-N 3.28Å
526	R	90.3	Very high	93.7	Very high	135 Å²	135	60.6 Å²	60.6	51%	0.509	30%	0.299	S	S	.	.			trans	-63	145.7	177.9	-65.9	172.8	-178.2	163.7	1.5	110.5	S522 P530	S522-R526 PolarHBondContact O-N 3.14Å; R526-P530 HydrophobicContact CB-CB 4.2Å; R526-P530 WeakPolarHBondContact O-CB 3.34Å; R526-P530 WeakPolarHBondContact O-CG 3.14Å
527	I	83.3	Confident	93.8	Very high	69 Å²	69	60.3 Å²	60.3	35%	0.354	30%	0.298	S	S	.	.	S	Bend	trans	-72.4	-48.8	174.3	-53.8	130.7	0	0	0	109.5	H379	H379-I527 VanDerWaalsContact CD2-CD1 3.47Å; H379-I527 WeakPolarHBondContact CD2-CD1 3.33Å; H379-I527 WeakPolarHBondContact CE1-CD1 3.4Å; H379-I527 WeakPolarHBondContact NE2-CD1 3.4Å; H379-I527 VanDerWaalsContact NE2-CG1 3.28Å; H379-I527 WeakPolarHBondContact NE2-CG1 3.42Å
528	T	84.1	Confident	93.9	Very high	110 Å²	110	60.2 Å²	60.2	68%	0.675	30%	0.298	S	S	*	.	S	Bend	trans	-101	121.7	-174.9	-47.9	0	0	0	0	109.4
529	K	88.9	Confident	93.9	Very high	188 Å²	188	57.3 Å²	57.3	82%	0.817	28%	0.282	S	S	*	.	S	Bend	trans	47.5	55.7	178.7	-60.9	178.5	179.6	179.6	0	113
530	P	94.2	Very high	93.9	Very high	19 Å²	19	60.5 Å²	60.5	12%	0.123	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-56.6	149.7	171.1	24.3	-33.5	0	0	0	112.2	E48 D523 R526	E48-P530 HydrophobicContact CB-CB 3.94Å; E48-P530 HydrophobicContact CB-CG 4.14Å; E48-P530 HydrophobicContact CG-CB 3.68Å; E48-P530 HydrophobicContact CG-CG 3.54Å; D523-P530 WeakPolarHBondContact O-CA 3.32Å; R526-P530 HydrophobicContact CB-CB 4.2Å; R526-P530 WeakPolarHBondContact O-CB 3.34Å; R526-P530 WeakPolarHBondContact O-CG 3.14Å
531	T	94.4	Very high	93.9	Very high	51 Å²	51	60.3 Å²	60.3	31%	0.313	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-66.2	138.3	173.1	-56.9	0	0	0	0	109	E48 D523 Y524	E48-T531 WeakPolarHBondContact CB-O 3.46Å; E48-T531 VanDerWaalsContact CG-O 3.29Å; E48-T531 WeakPolarHBondContact CG-O 3.3Å; D523-T531 WeakPolarHBondContact CB-OG1 3.44Å; D523-T531 PolarHBondContact O-N 2.86Å; D523-T531 WeakPolarHBondContact OD2-CB 3.3Å; D523-T531 PolarHBondContact OD2-OG1 3.28Å; Y524-T531 HydrophobicContact CD1-CG2 4.31Å; Y524-T531 VanDerWaalsContact CD1-O 3.27Å; Y524-T531 WeakPolarHBondContact CD1-O 3.27Å; Y524-T531 HydrophobicContact CE1-CG2 3.84Å
532	Q	94	Very high	93.9	Very high	122 Å²	122	56.5 Å²	56.5	57%	0.57	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-70.4	131.6	174.2	-168.8	179.6	25.1	0	0	111.7	E48	E48-Q532 WeakPolarHBondContact OE2-CA 3.41Å
533	Y	96.4	Very high	94.1	Very high	10 Å²	10	55.8 Å²	55.8	4%	0.039	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-70.4	143.7	173.7	-169.4	-97.7	0	0	0	111.6	F111 A448 L450 D451 L520 Y524 V535	F111-Y533 HydrophobicContact CB-CD1 4.25Å; F111-Y533 AromaticContact CD1-CD1 3.66Å; F111-Y533 HydrophobicContact CD1-CD1 3.66Å; F111-Y533 AromaticContact CD1-CG 3.68Å; F111-Y533 HydrophobicContact CD1-CG 3.68Å; F111-Y533 AromaticContact CD2-CD1 3.27Å; F111-Y533 HydrophobicContact CD2-CD1 3.27Å; F111-Y533 AromaticContact CD2-CE1 3.36Å; F111-Y533 HydrophobicContact CD2-CE1 3.36Å; F111-Y533 AromaticContact CD2-CG 3.99Å; F111-Y533 HydrophobicContact CD2-CG 3.99Å; F111-Y533 AromaticContact CE1-CD1 3.7Å; F111-Y533 HydrophobicContact CE1-CD1 3.7Å; F111-Y533 AromaticContact CE1-CD2 3.85Å; F111-Y533 HydrophobicContact CE1-CD2 3.85Å; F111-Y533 HydrophobicContact CE1-CE1 4.41Å; F111-Y533 AromaticContact CE1-CG 3.35Å; F111-Y533 HydrophobicContact CE1-CG 3.35Å; F111-Y533 AromaticContact CE2-CD1 3.3Å; F111-Y533 HydrophobicContact CE2-CD1 3.3Å; F111-Y533 AromaticContact CE2-CD2 3.98Å; F111-Y533 HydrophobicContact CE2-CD2 3.98Å; F111-Y533 AromaticContact CE2-CE1 3.19Å; F111-Y533 HydrophobicContact CE2-CE1 3.19Å; F111-Y533 AromaticContact CE2-CE2 3.9Å; F111-Y533 HydrophobicContact CE2-CE2 3.9Å; F111-Y533 AromaticContact CE2-CG 3.68Å; F111-Y533 HydrophobicContact CE2-CG 3.68Å; F111-Y533 AromaticContact CE2-CZ 3.51Å; F111-Y533 AromaticContact CG-CD1 3.44Å; F111-Y533 HydrophobicContact CG-CD1 3.44Å; F111-Y533 VanDerWaalsContact CG-CD1 3.44Å; F111-Y533 HydrophobicContact CG-CE1 4.04Å; F111-Y533 AromaticContact CG-CG 3.98Å; F111-Y533 HydrophobicContact CG-CG 3.98Å; F111-Y533 AromaticContact CZ-CD1 3.51Å; F111-Y533 HydrophobicContact CZ-CD1 3.51Å; F111-Y533 AromaticContact CZ-CD2 3.49Å; F111-Y533 HydrophobicContact CZ-CD2 3.49Å; F111-Y533 VanDerWaalsContact CZ-CD2 3.49Å; F111-Y533 AromaticContact CZ-CE1 3.78Å; F111-Y533 HydrophobicContact CZ-CE1 3.78Å; F111-Y533 AromaticContact CZ-CE2 3.77Å; F111-Y533 HydrophobicContact CZ-CE2 3.77Å; F111-Y533 AromaticContact CZ-CG 3.34Å; F111-Y533 HydrophobicContact CZ-CG 3.34Å; F111-Y533 AromaticContact CZ-CZ 3.89Å; A448-Y533 HydrophobicContact CB-CE2 4.15Å; L450-Y533 VanDerWaalsContact C-OH 3.25Å; L450-Y533 VanDerWaalsContact CA-OH 3.27Å; L450-Y533 WeakPolarHBondContact CA-OH 3.39Å; L450-Y533 PolarHBondContact N-OH 2.82Å; D451-Y533 HydrophobicContact CB-CE1 4.28Å; L520-Y533 HydrophobicContact CD2-CE2 4.43Å; Y524-Y533 HydrophobicContact CD1-CD2 4.33Å; Y524-Y533 HydrophobicContact CD2-CD2 4.23Å; Y524-Y533 HydrophobicContact CE1-CD2 4.1Å; Y524-Y533 AromaticContact CE2-CD2 3.95Å; Y524-Y533 HydrophobicContact CE2-CD2 3.95Å; Y524-Y533 HydrophobicContact CE2-CE2 4.29Å; Y524-Y533 HydrophobicContact CG-CD2 4.43Å; Y524-Y533 AromaticContact CZ-CD2 3.91Å; Y533-V535 PolarHBondContact O-N 3.16Å
534	K	96.6	Very high	94.1	Very high	114 Å²	114	56.8 Å²	56.8	50%	0.496	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-83.7	119.6	-176.6	-70.2	170.2	-172.6	154.5	0	110.4	L450 D451	L450-K534 VanDerWaalsContact CA-O 3.24Å; L450-K534 WeakPolarHBondContact CA-O 3.39Å; L450-K534 HydrophobicContact CB-CB 3.63Å; L450-K534 VanDerWaalsContact CB-O 3.23Å; L450-K534 WeakPolarHBondContact CB-O 3.25Å; D451-K534 PolarHBondContact N-O 3.17Å; D451-K534 VanDerWaalsContact N-O 3.08Å
535	V	96.7	Very high	94.1	Very high	19 Å²	19	56.8 Å²	56.8	12%	0.115	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.6	167.8	175.1	0	0	0	0	108.1	F111 V114 M453 Y533	F111-V535 HydrophobicContact CB-CG2 3.88Å; V114-V535 HydrophobicContact CG2-CB 4.24Å; V114-V535 HydrophobicContact CG2-CG1 3.45Å; V114-V535 VanDerWaalsContact CG2-CG1 3.45Å; V114-V535 HydrophobicContact CG2-CG2 3.72Å; M453-V535 HydrophobicContact CE-CG1 3.58Å; Y533-V535 PolarHBondContact O-N 3.16Å
536	S	97.9	Very high	93.9	Very high	7 Å²	7	56.9 Å²	56.9	5%	0.049	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	161.6	-173.9	-64	0	0	0	0	112.3	D451 L452 M453 R470	D451-S536 PolarHBondContact O-N 3.47Å; L452-S536 WeakPolarHBondContact CA-O 3.44Å; M453-S536 PolarHBondContact N-O 3.17Å; R470-S536 CarbonylContact O-C 3.6Å; R470-S536 WeakPolarHBondContact O-CA 3.24Å; R470-S536 VanDerWaalsContact O-CB 3.31Å; R470-S536 WeakPolarHBondContact O-CB 3.45Å
537	V	98	Very high	94	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	155.2	171.4	-66.8	0	0	0	0	109.8	L432 L452 M453 R470 P472 L541 Y542	L432-V537 HydrophobicContact CD1-CG1 3.73Å; L452-V537 VanDerWaalsContact CD1-C 3.44Å; M453-V537 HydrophobicContact CB-CG1 4.2Å; M453-V537 HydrophobicContact CE-CG1 3.98Å; M453-V537 CarbonylContact O-C 3.56Å; M453-V537 VanDerWaalsContact O-CA 3.29Å; M453-V537 WeakPolarHBondContact O-CA 3.36Å; R470-V537 HydrophobicContact CB-CG2 4.24Å; R470-V537 PolarHBondContact N-O 2.89Å; R470-V537 WeakPolarHBondContact O-CG2 3.43Å; R470-V537 PolarHBondContact O-N 3.16Å; P472-V537 HydrophobicContact CB-CG1 4.37Å; P472-V537 HydrophobicContact CG-CG1 4.12Å; V537-L541 HydrophobicContact CB-CB 4.27Å; V537-L541 HydrophobicContact CB-CD2 3.95Å; V537-L541 HydrophobicContact CB-CG 4.1Å; V537-L541 HydrophobicContact CG1-CD2 3.7Å; V537-L541 HydrophobicContact CG1-CG 4.12Å; V537-Y542 HydrophobicContact CG2-CD2 4.02Å; V537-Y542 HydrophobicContact CG2-CG 4.43Å
538	S	98	Very high	94.4	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.021	27%	0.267	C	S	.	.			trans	-62.8	162.6	168.1	56.8	0	0	0	0	111.3	M453 E458 E540 L541 Y542	M453-S538 PolarHBondContact O-N 3.43Å; E458-S538 VanDerWaalsContact CD-OG 3.25Å; E458-S538 PolarHBondContact OE1-OG 2.99Å; E458-S538 WeakPolarHBondContact OE2-CB 3.15Å; E458-S538 PolarHBondContact OE2-OG 2.8Å; S538-E540 VanDerWaalsContact C-N 3.3Å; S538-E540 PolarHBondContact O-N 2.85Å; S538-L541 PolarHBondContact O-N 3.39Å; S538-L541 VanDerWaalsContact OG-CB 3.24Å; S538-L541 WeakPolarHBondContact OG-CB 3.46Å; S538-L541 PolarHBondContact OG-N 3.48Å; S538-L541 VanDerWaalsContact OG-N 3.16Å; S538-Y542 VanDerWaalsContact O-CB 3.29Å; S538-Y542 WeakPolarHBondContact O-CB 3.34Å; S538-Y542 PolarHBondContact O-N 2.9Å
539	D	96.2	Very high	94.6	Very high	64 Å²	64	52.3 Å²	52.3	34%	0.342	25%	0.247	S	C	.	.	H	α-helix	trans	-58.4	-44.5	173.8	-162.2	74.4	0	0	0	111.3	R470 Y542 Q543	R470-D539 IonicContact CZ-OD1 2.7Å; R470-D539 IonicContact NE-OD1 3.97Å; R470-D539 PolarHBondContact NE-OD1 2.73Å; R470-D539 IonicContact NH2-OD1 2.64Å; R470-D539 PolarHBondContact NH2-OD1 2.81Å; D539-Y542 WeakPolarHBondContact O-CB 3.27Å; D539-Y542 PolarHBondContact O-N 3.25Å; D539-Q543 WeakPolarHBondContact O-CG 2.88Å; D539-Q543 PolarHBondContact O-N 3.02Å
540	E	96.7	Very high	94.6	Very high	84 Å²	84	48.8 Å²	48.8	39%	0.393	24%	0.236	S	C	.	.	H	α-helix	trans	-64.7	-47.1	179.1	-169.8	-178.6	155.2	0	0	112.4	Y457 E458 S538 Y542 Q543 F544	Y457-E540 WeakPolarHBondContact CE2-OE1 3.43Å; Y457-E540 VanDerWaalsContact CZ-OE1 3.31Å; Y457-E540 PolarHBondContact OH-OE1 2.85Å; E458-E540 WeakPolarHBondContact CG-OE2 3.28Å; S538-E540 VanDerWaalsContact C-N 3.3Å; S538-E540 PolarHBondContact O-N 2.85Å; E540-Y542 VanDerWaalsContact C-N 3.27Å; E540-Y542 PolarHBondContact O-N 3.3Å; E540-Q543 PolarHBondContact O-N 3.16Å; E540-F544 VanDerWaalsContact O-CB 3.27Å; E540-F544 WeakPolarHBondContact O-CB 3.39Å; E540-F544 PolarHBondContact O-N 2.99Å
541	L	96.9	Very high	94.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.1	-36.4	176.1	178.3	57.5	0	0	0	111.6	K436 M453 R455 V537 S538 T545	K436-L541 HydrophobicContact CD-CD2 4.06Å; K436-L541 HydrophobicContact CG-CD2 4.08Å; M453-L541 HydrophobicContact CB-CD2 3.94Å; R455-L541 HydrophobicContact CG-CB 4.07Å; R455-L541 HydrophobicContact CG-CD1 3.84Å; R455-L541 HydrophobicContact CG-CG 4.48Å; V537-L541 HydrophobicContact CB-CB 4.27Å; V537-L541 HydrophobicContact CB-CD2 3.95Å; V537-L541 HydrophobicContact CB-CG 4.1Å; V537-L541 HydrophobicContact CG1-CD2 3.7Å; V537-L541 HydrophobicContact CG1-CG 4.12Å; S538-L541 PolarHBondContact O-N 3.39Å; S538-L541 VanDerWaalsContact OG-CB 3.24Å; S538-L541 WeakPolarHBondContact OG-CB 3.46Å; S538-L541 PolarHBondContact OG-N 3.48Å; S538-L541 VanDerWaalsContact OG-N 3.16Å; L541-T545 VanDerWaalsContact O-CB 3.31Å; L541-T545 WeakPolarHBondContact O-CB 3.34Å; L541-T545 PolarHBondContact O-N 2.93Å; L541-T545 PolarHBondContact O-OG1 2.93Å
542	Y	95.6	Very high	94	Very high	23 Å²	23	52.8 Å²	52.8	9%	0.09	26%	0.261	C	S	.	.	H	α-helix	trans	-61.1	-53.5	175.7	-178	-88.4	0	0	0	111.2	R470 A475 V537 S538 D539 E540 T545 Q546	R470-Y542 HydrophobicContact CB-CD2 4.02Å; R470-Y542 HydrophobicContact CB-CG 4.36Å; A475-Y542 WeakPolarHBondContact CB-OH 3.42Å; V537-Y542 HydrophobicContact CG2-CD2 4.02Å; V537-Y542 HydrophobicContact CG2-CG 4.43Å; S538-Y542 VanDerWaalsContact O-CB 3.29Å; S538-Y542 WeakPolarHBondContact O-CB 3.34Å; S538-Y542 PolarHBondContact O-N 2.9Å; D539-Y542 WeakPolarHBondContact O-CB 3.27Å; D539-Y542 PolarHBondContact O-N 3.25Å; E540-Y542 VanDerWaalsContact C-N 3.27Å; E540-Y542 PolarHBondContact O-N 3.3Å; Y542-T545 PolarHBondContact O-N 3.38Å; Y542-Q546 HydrophobicContact CD1-CG 4.37Å; Y542-Q546 HydrophobicContact CE1-CG 3.99Å; Y542-Q546 WeakPolarHBondContact O-CG 3.35Å; Y542-Q546 PolarHBondContact O-N 3.49Å; Y542-Q546 VanDerWaalsContact O-N 3.14Å
543	Q	95.1	Very high	93.7	Very high	78 Å²	78	49.3 Å²	49.3	36%	0.364	25%	0.248	S	C	.	.	H	α-helix	trans	-62.7	-47.2	-179.2	-62.7	-62.5	-0.7	0	0	111.3	D539 E540 T545 Q546 E547	D539-Q543 WeakPolarHBondContact O-CG 2.88Å; D539-Q543 PolarHBondContact O-N 3.02Å; E540-Q543 PolarHBondContact O-N 3.16Å; Q543-T545 VanDerWaalsContact C-N 3.26Å; Q543-T545 PolarHBondContact O-N 3.29Å; Q543-Q546 PolarHBondContact O-N 3.37Å; Q543-E547 WeakPolarHBondContact O-CG 3.29Å; Q543-E547 PolarHBondContact O-N 3.48Å
544	F	95.3	Very high	93.2	Very high	33 Å²	33	54 Å²	54	15%	0.145	28%	0.28	C	S	.	.	H	α-helix	trans	-56.8	-40.6	177.6	176.8	-113.5	0	0	0	112.5	P419 P433 E540 L548	P419-F544 HydrophobicContact CB-CE1 4Å; P419-F544 HydrophobicContact CB-CZ 3.75Å; P419-F544 HydrophobicContact CG-CE1 4.16Å; P419-F544 HydrophobicContact CG-CZ 3.71Å; P433-F544 HydrophobicContact CB-CE1 3.96Å; P433-F544 HydrophobicContact CG-CD1 3.93Å; P433-F544 HydrophobicContact CG-CE1 3.69Å; E540-F544 VanDerWaalsContact O-CB 3.27Å; E540-F544 WeakPolarHBondContact O-CB 3.39Å; E540-F544 PolarHBondContact O-N 2.99Å; F544-L548 HydrophobicContact CE1-CD2 4.49Å; F544-L548 HydrophobicContact CZ-CD2 4.25Å; F544-L548 WeakPolarHBondContact O-CB 3.42Å; F544-L548 PolarHBondContact O-N 2.98Å
545	T	93.3	Very high	92.7	Very high	8 Å²	8	56.7 Å²	56.7	5%	0.049	30%	0.298	C	S	.	.	H	α-helix	trans	-64.1	-42.6	177	-59.3	0	0	0	0	111.4	M421 L432 P433 L541 Y542 Q543 W549	M421-T545 HydrophobicContact CE-CG2 3.62Å; L432-T545 HydrophobicContact CD2-CG2 3.82Å; P433-T545 HydrophobicContact CG-CG2 4.49Å; L541-T545 VanDerWaalsContact O-CB 3.31Å; L541-T545 WeakPolarHBondContact O-CB 3.34Å; L541-T545 PolarHBondContact O-N 2.93Å; L541-T545 PolarHBondContact O-OG1 2.93Å; Y542-T545 PolarHBondContact O-N 3.38Å; Q543-T545 VanDerWaalsContact C-N 3.26Å; Q543-T545 PolarHBondContact O-N 3.29Å; T545-W549 WeakPolarHBondContact O-CB 3.39Å; T545-W549 PolarHBondContact O-N 2.92Å
546	Q	90.2	Very high	92.1	Very high	57 Å²	57	59.1 Å²	59.1	27%	0.266	33%	0.327	S	S	.	.	H	α-helix	trans	-66.9	-45.9	178.8	-65.4	-61.3	-55.7	0	0	111.5	Y542 Q543 W549 L550	Y542-Q546 HydrophobicContact CD1-CG 4.37Å; Y542-Q546 HydrophobicContact CE1-CG 3.99Å; Y542-Q546 WeakPolarHBondContact O-CG 3.35Å; Y542-Q546 PolarHBondContact O-N 3.49Å; Y542-Q546 VanDerWaalsContact O-N 3.14Å; Q543-Q546 PolarHBondContact O-N 3.37Å; Q546-W549 PolarHBondContact O-N 2.96Å; Q546-L550 WeakPolarHBondContact O-CG 3.47Å; Q546-L550 PolarHBondContact O-N 2.64Å
547	E	92.3	Very high	91.7	Very high	124 Å²	124	67.9 Å²	67.9	58%	0.579	37%	0.367	S	S	*	.	H	α-helix	trans	-58.9	-50.5	177.9	-72.5	171	-171.6	0	0	111.4	Q543 W549 L550 S551	Q543-E547 WeakPolarHBondContact O-CG 3.29Å; Q543-E547 PolarHBondContact O-N 3.48Å; E547-W549 VanDerWaalsContact C-N 3.35Å; E547-W549 PolarHBondContact O-N 2.89Å; E547-L550 PolarHBondContact O-N 2.76Å; E547-S551 WeakPolarHBondContact O-CB 3.12Å; E547-S551 PolarHBondContact O-N 3.44Å
548	L	91.5	Very high	90.9	Very high	31 Å²	31	75.9 Å²	75.9	16%	0.162	41%	0.408	C	S	.	.	H	α-helix	trans	-64.6	-41	178.8	-175.1	66.9	0	0	0	111.6	P419 M421 P433 F544 L550 S551 I552	P419-L548 HydrophobicContact CB-CD2 4.45Å; M421-L548 HydrophobicContact CB-CD2 4.16Å; P433-L548 HydrophobicContact CB-CD2 3.37Å; P433-L548 HydrophobicContact CG-CD2 3.79Å; F544-L548 HydrophobicContact CE1-CD2 4.49Å; F544-L548 HydrophobicContact CZ-CD2 4.25Å; F544-L548 WeakPolarHBondContact O-CB 3.42Å; F544-L548 PolarHBondContact O-N 2.98Å; L548-L550 PolarHBondContact O-N 3.48Å; L548-S551 PolarHBondContact O-N 3Å; L548-S551 PolarHBondContact O-OG 2.84Å; L548-I552 HydrophobicContact CD1-CG2 4.08Å; L548-I552 VanDerWaalsContact O-CG1 3.27Å; L548-I552 WeakPolarHBondContact O-CG1 3.35Å; L548-I552 PolarHBondContact O-N 3.12Å; L548-I552 VanDerWaalsContact O-N 3.14Å
549	W	88.6	Confident	90.1	Very high	63 Å²	63	84.4 Å²	84.4	24%	0.239	47%	0.467	C	S	.	.	H	α-helix	trans	-60.1	-46	178.4	177.5	62.8	0	0	0	111.6	M421 F427 T545 Q546 E547 T553	M421-W549 HydrophobicContact SD-CB 4.09Å; F427-W549 HydrophobicContact CE1-CH2 4.06Å; F427-W549 AromaticContact CE1-CZ2 3.83Å; F427-W549 HydrophobicContact CE1-CZ2 3.83Å; F427-W549 HydrophobicContact CZ-CH2 4.29Å; F427-W549 HydrophobicContact CZ-CZ2 4.16Å; T545-W549 WeakPolarHBondContact O-CB 3.39Å; T545-W549 PolarHBondContact O-N 2.92Å; Q546-W549 PolarHBondContact O-N 2.96Å; E547-W549 VanDerWaalsContact C-N 3.35Å; E547-W549 PolarHBondContact O-N 2.89Å; W549-T553 WeakPolarHBondContact O-CB 3.38Å; W549-T553 PolarHBondContact O-N 2.63Å; W549-T553 VanDerWaalsContact O-N 3.15Å; W549-T553 PolarHBondContact O-OG1 2.7Å
550	L	88.4	Confident	89.8	Confident	113 Å²	113	85.4 Å²	85.4	59%	0.592	47%	0.473	S	S	*	.	H	α-helix	trans	-66.2	-37.8	176.8	-69.5	173.5	0	0	0	112	Q546 E547 L548 I552	Q546-L550 WeakPolarHBondContact O-CG 3.47Å; Q546-L550 PolarHBondContact O-N 2.64Å; E547-L550 PolarHBondContact O-N 2.76Å; L548-L550 PolarHBondContact O-N 3.48Å; L550-I552 VanDerWaalsContact C-N 3.33Å; L550-I552 PolarHBondContact O-N 2.75Å
551	S	88.8	Confident	89.5	Confident	89 Å²	89	85.5 Å²	85.5	62%	0.622	48%	0.478	S	S	*	.	H	α-helix	trans	-70.1	-27.8	-177.7	73.5	0	0	0	0	113.9	E547 L548	E547-S551 WeakPolarHBondContact O-CB 3.12Å; E547-S551 PolarHBondContact O-N 3.44Å; L548-S551 PolarHBondContact O-N 3Å; L548-S551 PolarHBondContact O-OG 2.84Å
552	I	87.5	Confident	89.1	Confident	65 Å²	65	90.2 Å²	90.2	33%	0.333	50%	0.504	S	S	.	.	H	α-helix	trans	-99.9	-12.7	-178.5	70.3	-178.8	0	0	0	113.4	M421 L423 L548 L550 P554	M421-I552 HydrophobicContact CB-CD1 3.86Å; M421-I552 HydrophobicContact CG-CD1 4.32Å; M421-I552 HydrophobicContact SD-CD1 4.48Å; L423-I552 HydrophobicContact CD1-CD1 4.4Å; L423-I552 HydrophobicContact CD1-CG1 4.01Å; L423-I552 HydrophobicContact CD2-CD1 3.71Å; L423-I552 HydrophobicContact CD2-CG1 3.78Å; L423-I552 HydrophobicContact CG-CD1 3.89Å; L423-I552 HydrophobicContact CG-CG1 4.01Å; L548-I552 HydrophobicContact CD1-CG2 4.08Å; L548-I552 VanDerWaalsContact O-CG1 3.27Å; L548-I552 WeakPolarHBondContact O-CG1 3.35Å; L548-I552 PolarHBondContact O-N 3.12Å; L548-I552 VanDerWaalsContact O-N 3.14Å; L550-I552 VanDerWaalsContact C-N 3.33Å; L550-I552 PolarHBondContact O-N 2.75Å; I552-P554 WeakPolarHBondContact O-CD 3.13Å
553	T	87	Confident	88.7	Confident	50 Å²	50	94.2 Å²	94.2	31%	0.307	53%	0.529	S	S	.	.	S	Bend	trans	-77.2	121.8	-179.7	-63.9	0	0	0	0	109.6	W549	W549-T553 WeakPolarHBondContact O-CB 3.38Å; W549-T553 PolarHBondContact O-N 2.63Å; W549-T553 VanDerWaalsContact O-N 3.15Å; W549-T553 PolarHBondContact O-OG1 2.7Å
554	P	85.8	Confident	88.3	Confident	109 Å²	109	95.2 Å²	95.2	71%	0.708	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-61.3	139.5	176.8	-21.9	33.4	0	0	0	111.6	I552	I552-P554 WeakPolarHBondContact O-CD 3.13Å
555	I	86.5	Confident	87.8	Confident	170 Å²	170	99.3 Å²	99.3	87%	0.872	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-91.2	118.4	172.7	-58.7	175.1	0	0	0	107.7
556	G	85.5	Confident	87.4	Confident	70 Å²	70	105.9 Å²	105.9	72%	0.722	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-80.9	143.4	172.7	0	0	0	0	0	111.4
557	E	88.5	Confident	87.2	Confident	191 Å²	191	109.6 Å²	109.6	89%	0.893	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-100.6	130.1	169	-172.5	174	178.7	0	0	108.3
558	I	82	Confident	86.8	Confident	168 Å²	168	108.4 Å²	108.4	86%	0.862	63%	0.632	S	S	*	*			trans	-114.6	116.4	175.5	-55	176.2	0	0	0	106.1
559	S	81.4	Confident	86.4	Confident	182 Å²	182	115.5 Å²	115.5	100%	1.273	68%	0.675	S	S	*	*			trans	-88.9	0	177.9	62.9	0	0	0	0	112.5

Retrieved 559 of 559 residues in 1124 ms (Link to these results)

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