A0A061INU9_CRIGR Loading...

Serine--tRNA ligase, cytoplasmic

Catalyzes the attachment of serine to tRNA(Ser) in a two-step reaction: serine is first activated by ATP to form Ser-AMP and then transferred to the acceptor end of tRNA(Ser). Is probably also able to aminoacylate tRNA(Sec) with serine, to form the misacylated tRNA L-seryl-tRNA(Sec), which will be further converted into selenocysteinyl-tRNA(Sec). In the nucleus, binds to the VEGFA core promoter and prevents MYC binding and transcriptional activation by MYC. Recruits SIRT2 to the VEGFA promoter, promoting deacetylation of histone H4 at 'Lys-16' (H4K16). Thereby, inhibits the production of VEGFA and sprouting angiogenesis mediated by VEGFA.

AlphaFold DB , UniProt , Accession A0A061INU9, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Sars1, Length 536 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	77.5	Confident	92.4	Very high	9 Å²	9	39.1 Å²	39.1	4%	0.044	21%	0.211	C	C	.	.				0	144.1	0	-53.8	166.8	-83.7	0	0	108.8	E236 V237 Q239 A372 Y401 Q402 R405	M1-E236 WeakPolarHBondContact CG-O 3.33Å; M1-E236 PolarHBondContact N-O 3.14Å; M1-V237 WeakPolarHBondContact CE-O 3.46Å; M1-Q239 HydrophobicContact CE-CG 3.78Å; M1-A372 HydrophobicContact SD-CB 3.89Å; M1-Y401 HydrophobicContact CB-CD1 3.37Å; M1-Y401 HydrophobicContact CB-CE1 3.23Å; M1-Y401 HydrophobicContact CB-CG 4.49Å; M1-Y401 HydrophobicContact CG-CD1 4.43Å; M1-Y401 HydrophobicContact CG-CE1 4.47Å; M1-Y401 PolarHBondContact O-OH 3.3Å; M1-Q402 HydrophobicContact CG-CG 3.83Å; M1-Q402 HydrophobicContact SD-CG 3.4Å; M1-Q402 WeakPolarHBondContact SD-CG 3.45Å; M1-R405 VanDerWaalsContact CA-CB 3.4Å; M1-R405 HydrophobicContact CB-CB 4.49Å
2	V	88.4	Confident	92.2	Very high	13 Å²	13	46.5 Å²	46.5	8%	0.079	24%	0.24	C	C	.	.			trans	-155.3	155.1	-173.1	-66.6	0	0	0	0	113.7	L132 Y401 R404	V2-L132 HydrophobicContact CB-CD1 4.38Å; V2-L132 HydrophobicContact CB-CD2 3.79Å; V2-L132 HydrophobicContact CB-CG 3.78Å; V2-L132 HydrophobicContact CG1-CD2 3.87Å; V2-L132 HydrophobicContact CG1-CG 3.73Å; V2-L132 HydrophobicContact CG2-CD2 4.21Å; V2-Y401 VanDerWaalsContact C-CE2 3.46Å; V2-Y401 PolarHBondContact N-O 2.98Å; V2-R404 HydrophobicContact CG2-CG 4.48Å
3	L	94.2	Very high	92.1	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.021	28%	0.281	C	S	.	.			trans	-71.2	167.7	167.1	-79.1	177.4	0	0	0	113.1	L7 F8 I19 L132 I135 L138 Y401	L3-L7 HydrophobicContact CD2-CD1 4.39Å; L3-F8 HydrophobicContact CB-CE2 3.99Å; L3-F8 HydrophobicContact CB-CZ 4.39Å; L3-F8 HydrophobicContact CD1-CE2 4.44Å; L3-F8 HydrophobicContact CD1-CZ 4.18Å; L3-I19 HydrophobicContact CD1-CG2 4.27Å; L3-L132 HydrophobicContact CB-CD1 4.26Å; L3-I135 HydrophobicContact CD1-CG2 3.95Å; L3-L138 HydrophobicContact CD2-CG 4.32Å; L3-Y401 HydrophobicContact CD2-CD2 4.13Å; L3-Y401 HydrophobicContact CD2-CE2 4.48Å; L3-Y401 HydrophobicContact CG-CD2 4.13Å; L3-Y401 HydrophobicContact CG-CE2 3.99Å
4	D	94	Very high	92.2	Very high	24 Å²	24	46.1 Å²	46.1	13%	0.128	27%	0.27	C	S	.	.			trans	-71.8	124.4	172	-164.8	-20.9	0	0	0	112.3	D6 L7 F8 R404 K443	D4-D6 PolarHBondContact O-N 3.36Å; D4-D6 PolarHBondContact OD1-N 3.17Å; D4-L7 HydrophobicContact CB-CD1 3.9Å; D4-L7 HydrophobicContact CB-CG 3.98Å; D4-L7 WeakPolarHBondContact O-CB 3.47Å; D4-L7 PolarHBondContact O-N 3.5Å; D4-L7 VanDerWaalsContact O-N 3.08Å; D4-F8 WeakPolarHBondContact O-CD2 3.43Å; D4-R404 IonicContact OD1-NH1 3.41Å; D4-R404 PolarHBondContact OD1-NH1 3.41Å; D4-R404 IonicContact OD2-CZ 3.63Å; D4-R404 IonicContact OD2-NH1 3.07Å; D4-R404 PolarHBondContact OD2-NH1 3.33Å; D4-R404 IonicContact OD2-NH2 3.17Å; D4-R404 PolarHBondContact OD2-NH2 3.09Å; D4-K443 IonicContact OD1-NZ 3.36Å; D4-K443 PolarHBondContact OD1-NZ 2.98Å; D4-K443 VanDerWaalsContact OD2-CE 3.29Å; D4-K443 WeakPolarHBondContact OD2-CE 3.27Å; D4-K443 IonicContact OD2-NZ 2.77Å; D4-K443 PolarHBondContact OD2-NZ 2.93Å
5	L	93.9	Very high	92.5	Very high	38 Å²	38	48.8 Å²	48.8	20%	0.199	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-58.2	-29.5	176.7	-79.2	176.4	0	0	0	113.9	L7 F8 L36 R128 L132	L5-L7 PolarHBondContact O-N 3.25Å; L5-F8 WeakPolarHBondContact O-CB 3.48Å; L5-F8 PolarHBondContact O-N 3.09Å; L5-F8 VanDerWaalsContact O-N 3.14Å; L5-L36 HydrophobicContact CD2-CD2 4.21Å; L5-R128 HydrophobicContact CD2-CG 4.3Å; L5-L132 HydrophobicContact CD2-CD2 3.87Å; L5-L132 HydrophobicContact CG-CD2 4.19Å
6	D	93.8	Very high	92.7	Very high	37 Å²	37	47.2 Å²	47.2	20%	0.198	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-72.7	-18.8	179.8	-70.5	-14.3	0	0	0	112.8	D4 F8 R9 K12 G14 K443	D4-D6 PolarHBondContact O-N 3.36Å; D4-D6 PolarHBondContact OD1-N 3.17Å; D6-F8 PolarHBondContact O-N 2.88Å; D6-R9 PolarHBondContact O-N 3.1Å; D6-R9 IonicContact OD1-CZ 2.77Å; D6-R9 IonicContact OD1-NH1 3.37Å; D6-R9 PolarHBondContact OD1-NH1 3.11Å; D6-K12 HydrophobicContact CB-CB 3.88Å; D6-K12 HydrophobicContact CB-CG 4.31Å; D6-G14 WeakPolarHBondContact O-CA 3.29Å; D6-K443 VanDerWaalsContact CB-NZ 3.26Å; D6-K443 WeakPolarHBondContact OD2-CE 3.34Å; D6-K443 IonicContact OD2-NZ 3.61Å; D6-K443 PolarHBondContact OD2-NZ 2.83Å
7	L	94.3	Very high	93	Very high	61 Å²	61	48.1 Å²	48.1	32%	0.319	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-64.1	-22.6	171.3	-63.9	168	0	0	0	111.4	L3 D4 L5 G14 D15 I19	L3-L7 HydrophobicContact CD2-CD1 4.39Å; D4-L7 HydrophobicContact CB-CD1 3.9Å; D4-L7 HydrophobicContact CB-CG 3.98Å; D4-L7 WeakPolarHBondContact O-CB 3.47Å; D4-L7 PolarHBondContact O-N 3.5Å; D4-L7 VanDerWaalsContact O-N 3.08Å; L5-L7 PolarHBondContact O-N 3.25Å; L7-G14 CarbonylContact O-C 3.59Å; L7-G14 WeakPolarHBondContact O-CA 3.48Å; L7-D15 CarbonylContact O-C 3.5Å; L7-D15 PolarHBondContact O-N 2.95Å; L7-I19 HydrophobicContact CB-CD1 3.78Å; L7-I19 WeakPolarHBondContact O-CD1 3.49Å
8	F	97	Very high	93.1	Very high	6 Å²	6	50 Å²	50	3%	0.026	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-91	1.7	176.3	-58.4	-97.4	0	0	0	113.1	L3 D4 L5 D6 P16 I19 V33 L36 V37 L132 I135	L3-F8 HydrophobicContact CB-CE2 3.99Å; L3-F8 HydrophobicContact CB-CZ 4.39Å; L3-F8 HydrophobicContact CD1-CE2 4.44Å; L3-F8 HydrophobicContact CD1-CZ 4.18Å; D4-F8 WeakPolarHBondContact O-CD2 3.43Å; L5-F8 WeakPolarHBondContact O-CB 3.48Å; L5-F8 PolarHBondContact O-N 3.09Å; L5-F8 VanDerWaalsContact O-N 3.14Å; D6-F8 PolarHBondContact O-N 2.88Å; F8-P16 WeakPolarHBondContact O-CG 3.49Å; F8-I19 HydrophobicContact CD1-CD1 3.57Å; F8-I19 HydrophobicContact CD2-CD1 3.87Å; F8-I19 HydrophobicContact CE1-CB 4.34Å; F8-I19 HydrophobicContact CE1-CD1 3.6Å; F8-I19 HydrophobicContact CE1-CG2 3.72Å; F8-I19 HydrophobicContact CE2-CD1 3.9Å; F8-I19 HydrophobicContact CG-CD1 3.72Å; F8-I19 HydrophobicContact CZ-CD1 3.77Å; F8-I19 HydrophobicContact CZ-CG2 3.95Å; F8-V33 HydrophobicContact CD1-CG1 4.05Å; F8-V33 HydrophobicContact CE1-CG1 4.17Å; F8-L36 HydrophobicContact CB-CD2 3.85Å; F8-L36 HydrophobicContact CD1-CD1 4.11Å; F8-L36 HydrophobicContact CD1-CD2 3.67Å; F8-L36 HydrophobicContact CD1-CG 4.41Å; F8-L36 HydrophobicContact CD2-CD2 4.21Å; F8-L36 HydrophobicContact CE1-CD1 3.8Å; F8-L36 HydrophobicContact CE1-CD2 4.22Å; F8-L36 HydrophobicContact CE2-CD1 4.32Å; F8-L36 HydrophobicContact CG-CD1 4.49Å; F8-L36 HydrophobicContact CG-CD2 3.65Å; F8-L36 HydrophobicContact CZ-CD1 3.9Å; F8-V37 HydrophobicContact CB-CG2 4.19Å; F8-V37 HydrophobicContact CD1-CG2 4.49Å; F8-L132 HydrophobicContact CE2-CD1 3.72Å; F8-L132 HydrophobicContact CZ-CD1 3.89Å; F8-I135 HydrophobicContact CE1-CD1 3.85Å; F8-I135 HydrophobicContact CZ-CD1 4.08Å; F8-I135 HydrophobicContact CZ-CG2 4.13Å
9	R	95.6	Very high	93.4	Very high	31 Å²	31	47.6 Å²	47.6	12%	0.117	28%	0.282	C	S	.	.			trans	-117.6	109.1	-174	-67	176.6	-178.7	147.2	1.1	111.3	D6 D11 K12 G13 G14 D40	D6-R9 PolarHBondContact O-N 3.1Å; D6-R9 IonicContact OD1-CZ 2.77Å; D6-R9 IonicContact OD1-NH1 3.37Å; D6-R9 PolarHBondContact OD1-NH1 3.11Å; R9-D11 VanDerWaalsContact C-N 3.26Å; R9-D11 PolarHBondContact O-N 3.35Å; R9-K12 HydrophobicContact CB-CB 3.97Å; R9-K12 HydrophobicContact CB-CG 3.81Å; R9-K12 WeakPolarHBondContact O-CA 3.35Å; R9-K12 PolarHBondContact O-N 3.01Å; R9-G13 PolarHBondContact O-N 2.89Å; R9-G14 PolarHBondContact O-N 3.3Å; R9-D40 IonicContact CZ-OD1 2.73Å; R9-D40 IonicContact CZ-OD2 3.63Å; R9-D40 IonicContact NE-OD1 3.38Å; R9-D40 IonicContact NE-OD2 3.79Å; R9-D40 PolarHBondContact NE-OD2 2.99Å; R9-D40 IonicContact NH2-OD1 2.66Å; R9-D40 PolarHBondContact NH2-OD1 2.75Å; R9-D40 IonicContact NH2-OD2 3.73Å; R9-D40 PolarHBondContact NH2-OD2 2.83Å
10	V	95	Very high	93.6	Very high	111 Å²	111	50.1 Å²	50.1	67%	0.673	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-60.3	-36.7	177.7	-170.3	0	0	0	0	111.7	K12 G13 P16	V10-K12 PolarHBondContact O-N 2.61Å; V10-K12 VanDerWaalsContact O-N 3.12Å; V10-G13 PolarHBondContact O-N 2.98Å; V10-P16 HydrophobicContact CG2-CG 4.2Å
11	D	92.4	Very high	93.8	Very high	96 Å²	96	51.6 Å²	51.6	51%	0.513	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-67.5	-9.8	176.1	64	-78.1	0	0	0	114.2	R9 R44	R9-D11 VanDerWaalsContact C-N 3.26Å; R9-D11 PolarHBondContact O-N 3.35Å; D11-R44 VanDerWaalsContact CG-NH1 3.3Å; D11-R44 IonicContact OD1-CZ 3.47Å; D11-R44 IonicContact OD1-NH1 2.68Å; D11-R44 PolarHBondContact OD1-NH1 3.37Å; D11-R44 IonicContact OD1-NH2 2.7Å; D11-R44 IonicContact OD2-NH1 3.76Å; D11-R44 PolarHBondContact OD2-NH1 3.44Å
12	K	90.4	Very high	94.7	Very high	128 Å²	128	51.7 Å²	51.7	56%	0.557	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-108.1	5.8	175.2	-58.1	-63.6	174.8	-169.6	0	113	D6 R9 V10 G14	D6-K12 HydrophobicContact CB-CB 3.88Å; D6-K12 HydrophobicContact CB-CG 4.31Å; R9-K12 HydrophobicContact CB-CB 3.97Å; R9-K12 HydrophobicContact CB-CG 3.81Å; R9-K12 WeakPolarHBondContact O-CA 3.35Å; R9-K12 PolarHBondContact O-N 3.01Å; V10-K12 PolarHBondContact O-N 2.61Å; V10-K12 VanDerWaalsContact O-N 3.12Å; K12-G14 VanDerWaalsContact C-N 3.32Å
13	G	90.8	Very high	95.2	Very high	76 Å²	76	51.1 Å²	51.1	78%	0.784	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	11.4	-175.6	0	0	0	0	0	114.2	R9 V10	R9-G13 PolarHBondContact O-N 2.89Å; V10-G13 PolarHBondContact O-N 2.98Å
14	G	93.4	Very high	95.4	Very high	12 Å²	12	55 Å²	55	12%	0.124	31%	0.307	C	S	.	.			trans	-77.5	161.7	170.5	0	0	0	0	0	112.6	D6 L7 R9 K12	D6-G14 WeakPolarHBondContact O-CA 3.29Å; L7-G14 CarbonylContact O-C 3.59Å; L7-G14 WeakPolarHBondContact O-CA 3.48Å; R9-G14 PolarHBondContact O-N 3.3Å; K12-G14 VanDerWaalsContact C-N 3.32Å
15	D	96.2	Very high	95.6	Very high	86 Å²	86	57.4 Å²	57.4	46%	0.46	32%	0.316	S	S	.	.			trans	-128.9	96.3	179.3	-174.2	-0.6	0	0	0	110.8	L7 A17 L18	L7-D15 CarbonylContact O-C 3.5Å; L7-D15 PolarHBondContact O-N 2.95Å; D15-A17 PolarHBondContact O-N 3.46Å; D15-A17 VanDerWaalsContact OD1-CB 3.27Å; D15-A17 WeakPolarHBondContact OD1-CB 3.47Å; D15-A17 PolarHBondContact OD1-N 3.46Å; D15-L18 HydrophobicContact CB-CB 4.13Å; D15-L18 PolarHBondContact O-N 3.02Å; D15-L18 PolarHBondContact OD1-N 3.19Å
16	P	97	Very high	95.8	Very high	23 Å²	23	55.8 Å²	55.8	15%	0.149	31%	0.307	C	S	.	.	H	α-helix	trans	-58.2	-28.9	174.3	-24.3	34.1	0	0	0	113.7	F8 V10 I19 R20 V33 V37	F8-P16 WeakPolarHBondContact O-CG 3.49Å; V10-P16 HydrophobicContact CG2-CG 4.2Å; P16-I19 PolarHBondContact O-N 3.12Å; P16-R20 WeakPolarHBondContact O-CB 3.37Å; P16-R20 PolarHBondContact O-N 3.04Å; P16-V33 HydrophobicContact CB-CG1 4.2Å; P16-V37 HydrophobicContact CB-CG2 4.16Å; P16-V37 HydrophobicContact CG-CG2 4.21Å
17	A	96.9	Very high	96	Very high	63 Å²	63	59 Å²	59	52%	0.521	32%	0.319	S	S	.	.	H	α-helix	trans	-68.8	-37.2	-178.7	0	0	0	0	0	111.3	D15 I19 R20 E21	D15-A17 PolarHBondContact O-N 3.46Å; D15-A17 VanDerWaalsContact OD1-CB 3.27Å; D15-A17 WeakPolarHBondContact OD1-CB 3.47Å; D15-A17 PolarHBondContact OD1-N 3.46Å; A17-I19 VanDerWaalsContact C-N 3.32Å; A17-I19 PolarHBondContact O-N 2.91Å; A17-R20 WeakPolarHBondContact O-CB 3.49Å; A17-R20 PolarHBondContact O-N 3.47Å; A17-E21 PolarHBondContact O-N 3.28Å
18	L	95.9	Very high	96.1	Very high	82 Å²	82	60.7 Å²	60.7	43%	0.429	33%	0.325	S	S	.	.	H	α-helix	trans	-63.2	-38	173.7	-178.6	65	0	0	0	112.3	D15 E21 T22	D15-L18 HydrophobicContact CB-CB 4.13Å; D15-L18 PolarHBondContact O-N 3.02Å; D15-L18 PolarHBondContact OD1-N 3.19Å; L18-E21 PolarHBondContact O-N 3.03Å; L18-T22 PolarHBondContact O-N 3.39Å; L18-T22 PolarHBondContact O-OG1 3.48Å
19	I	97.4	Very high	96.1	Very high	4 Å²	4	64.5 Å²	64.5	2%	0.021	35%	0.345	C	S	.	.	H	α-helix	trans	-70.6	-38.4	177.2	-56.6	162.5	0	0	0	110.1	L3 L7 F8 P16 A17 T22 Q23 V33 I135	L3-I19 HydrophobicContact CD1-CG2 4.27Å; L7-I19 HydrophobicContact CB-CD1 3.78Å; L7-I19 WeakPolarHBondContact O-CD1 3.49Å; F8-I19 HydrophobicContact CD1-CD1 3.57Å; F8-I19 HydrophobicContact CD2-CD1 3.87Å; F8-I19 HydrophobicContact CE1-CB 4.34Å; F8-I19 HydrophobicContact CE1-CD1 3.6Å; F8-I19 HydrophobicContact CE1-CG2 3.72Å; F8-I19 HydrophobicContact CE2-CD1 3.9Å; F8-I19 HydrophobicContact CG-CD1 3.72Å; F8-I19 HydrophobicContact CZ-CD1 3.77Å; F8-I19 HydrophobicContact CZ-CG2 3.95Å; P16-I19 PolarHBondContact O-N 3.12Å; A17-I19 VanDerWaalsContact C-N 3.32Å; A17-I19 PolarHBondContact O-N 2.91Å; I19-T22 WeakPolarHBondContact O-CB 3.4Å; I19-T22 PolarHBondContact O-N 2.88Å; I19-Q23 PolarHBondContact O-N 3.39Å; I19-V33 HydrophobicContact CG2-CG2 3.97Å; I19-I135 HydrophobicContact CG2-CG2 3.82Å
20	R	97.7	Very high	96.2	Very high	98 Å²	98	64.3 Å²	64.3	37%	0.37	35%	0.348	S	S	.	.	H	α-helix	trans	-59.3	-46.5	173.3	-166	-177.6	174.6	-73.1	-14	111.3	P16 A17 T22 Q23 E24 P30	P16-R20 WeakPolarHBondContact O-CB 3.37Å; P16-R20 PolarHBondContact O-N 3.04Å; A17-R20 WeakPolarHBondContact O-CB 3.49Å; A17-R20 PolarHBondContact O-N 3.47Å; R20-T22 VanDerWaalsContact C-N 3.29Å; R20-T22 PolarHBondContact O-N 3.01Å; R20-Q23 WeakPolarHBondContact O-CB 3.45Å; R20-Q23 PolarHBondContact O-N 3.21Å; R20-E24 IonicContact CZ-OE1 3.29Å; R20-E24 IonicContact NH1-OE1 3.41Å; R20-E24 PolarHBondContact NH1-OE1 3.13Å; R20-E24 IonicContact NH1-OE2 3.8Å; R20-E24 IonicContact NH2-OE1 2.67Å; R20-E24 PolarHBondContact NH2-OE1 3.3Å; R20-E24 PolarHBondContact O-N 2.88Å; R20-P30 HydrophobicContact CG-CB 3.57Å
21	E	97.8	Very high	96.3	Very high	81 Å²	81	59.9 Å²	59.9	38%	0.379	32%	0.324	S	S	.	.	H	α-helix	trans	-60	-40	174.2	-171.8	-167.9	159.6	0	0	111.5	A17 L18 E24 K25	A17-E21 PolarHBondContact O-N 3.28Å; L18-E21 PolarHBondContact O-N 3.03Å; E21-E24 PolarHBondContact O-N 2.99Å; E21-K25 HydrophobicContact CG-CD 4.27Å; E21-K25 WeakPolarHBondContact O-CB 3.31Å; E21-K25 VanDerWaalsContact O-CG 3.31Å; E21-K25 WeakPolarHBondContact O-CG 3.46Å; E21-K25 PolarHBondContact O-N 3.43Å; E21-K25 WeakPolarHBondContact OE1-CE 3.39Å; E21-K25 IonicContact OE1-NZ 3.24Å; E21-K25 PolarHBondContact OE1-NZ 3.31Å
22	T	97.2	Very high	96.6	Very high	11 Å²	11	56.7 Å²	56.7	7%	0.067	31%	0.308	C	S	.	.	H	α-helix	trans	-64.5	-39.3	176.2	-56.3	0	0	0	0	111.9	L18 I19 R20 K25 R26 L138 L139	L18-T22 PolarHBondContact O-N 3.39Å; L18-T22 PolarHBondContact O-OG1 3.48Å; I19-T22 WeakPolarHBondContact O-CB 3.4Å; I19-T22 PolarHBondContact O-N 2.88Å; R20-T22 VanDerWaalsContact C-N 3.29Å; R20-T22 PolarHBondContact O-N 3.01Å; T22-K25 PolarHBondContact O-N 3.4Å; T22-R26 WeakPolarHBondContact O-CG 3.26Å; T22-R26 PolarHBondContact O-N 2.97Å; T22-L138 HydrophobicContact CG2-CD2 4.4Å; T22-L139 HydrophobicContact CG2-CD1 4.37Å; T22-L139 HydrophobicContact CG2-CG 4.07Å
23	Q	97.8	Very high	96.9	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-63.5	-45.4	174.8	-78	-66.4	-58.8	0	0	111.8	I19 R20 K25 R26 F27 K28 P30 V33 I135	I19-Q23 PolarHBondContact O-N 3.39Å; R20-Q23 WeakPolarHBondContact O-CB 3.45Å; R20-Q23 PolarHBondContact O-N 3.21Å; Q23-K25 PolarHBondContact O-N 3.4Å; Q23-R26 CarbonylContact O-C 3.54Å; Q23-R26 WeakPolarHBondContact O-CA 3.32Å; Q23-R26 PolarHBondContact O-N 3.08Å; Q23-R26 VanDerWaalsContact O-N 3.08Å; Q23-F27 PolarHBondContact O-N 3.4Å; Q23-K28 PolarHBondContact O-N 2.95Å; Q23-P30 HydrophobicContact CB-CB 4.47Å; Q23-V33 HydrophobicContact CG-CG2 4.01Å; Q23-I135 HydrophobicContact CG-CG2 4.27Å
24	E	98.2	Very high	97.2	Very high	86 Å²	86	51.5 Å²	51.5	40%	0.402	27%	0.268	S	S	.	.	H	α-helix	trans	-61.5	-44.5	175.5	-69.9	175.3	165.6	0	0	111.3	R20 E21 R26 F27 P30	R20-E24 IonicContact CZ-OE1 3.29Å; R20-E24 IonicContact NH1-OE1 3.41Å; R20-E24 PolarHBondContact NH1-OE1 3.13Å; R20-E24 IonicContact NH1-OE2 3.8Å; R20-E24 IonicContact NH2-OE1 2.67Å; R20-E24 PolarHBondContact NH2-OE1 3.3Å; R20-E24 PolarHBondContact O-N 2.88Å; E21-E24 PolarHBondContact O-N 2.99Å; E24-R26 PolarHBondContact O-N 3Å; E24-F27 PolarHBondContact O-N 3.29Å; E24-P30 HydrophobicContact CG-CB 4.01Å; E24-P30 HydrophobicContact CG-CG 4.03Å
25	K	98.3	Very high	97.4	Very high	75 Å²	75	55.2 Å²	55.2	33%	0.326	28%	0.282	S	S	.	.	H	α-helix	trans	-59	-29.5	173.8	-80.1	172.6	169.7	169.9	0	112.9	E21 T22 Q23 F27 L139 I145 S366	E21-K25 HydrophobicContact CG-CD 4.27Å; E21-K25 WeakPolarHBondContact O-CB 3.31Å; E21-K25 VanDerWaalsContact O-CG 3.31Å; E21-K25 WeakPolarHBondContact O-CG 3.46Å; E21-K25 PolarHBondContact O-N 3.43Å; E21-K25 WeakPolarHBondContact OE1-CE 3.39Å; E21-K25 IonicContact OE1-NZ 3.24Å; E21-K25 PolarHBondContact OE1-NZ 3.31Å; T22-K25 PolarHBondContact O-N 3.4Å; Q23-K25 PolarHBondContact O-N 3.4Å; K25-F27 VanDerWaalsContact C-N 3.33Å; K25-F27 WeakPolarHBondContact O-CD2 3.19Å; K25-L139 HydrophobicContact CB-CD1 3.66Å; K25-L139 HydrophobicContact CD-CD1 4.41Å; K25-I145 HydrophobicContact CB-CD1 4.1Å; K25-I145 HydrophobicContact CB-CG2 4.27Å; K25-I145 HydrophobicContact CD-CD1 4.19Å; K25-I145 HydrophobicContact CG-CD1 4.1Å; K25-I145 HydrophobicContact CG-CG1 4.4Å; K25-I145 HydrophobicContact CG-CG2 4.12Å; K25-S366 WeakPolarHBondContact O-CB 3.2Å; K25-S366 PolarHBondContact O-OG 2.93Å
26	R	98.3	Very high	97.5	Very high	3 Å²	3	51.1 Å²	51.1	1%	0.011	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	2	175	-71.8	178.3	173	-83.4	2.2	113.5	T22 Q23 E24 K28 N137 L139 N370 A373	T22-R26 WeakPolarHBondContact O-CG 3.26Å; T22-R26 PolarHBondContact O-N 2.97Å; Q23-R26 CarbonylContact O-C 3.54Å; Q23-R26 WeakPolarHBondContact O-CA 3.32Å; Q23-R26 PolarHBondContact O-N 3.08Å; Q23-R26 VanDerWaalsContact O-N 3.08Å; E24-R26 PolarHBondContact O-N 3Å; R26-K28 HydrophobicContact CB-CG 4.06Å; R26-K28 PolarHBondContact O-N 3.22Å; R26-N137 VanDerWaalsContact CZ-O 3.29Å; R26-N137 PolarHBondContact NE-O 2.61Å; R26-N137 PolarHBondContact NH2-O 3.27Å; R26-L139 HydrophobicContact CG-CD1 4.03Å; R26-L139 HydrophobicContact CG-CD2 4.2Å; R26-L139 HydrophobicContact CG-CG 4.28Å; R26-L139 VanDerWaalsContact CZ-CD2 3.48Å; R26-N370 PolarHBondContact NH1-O 3.47Å; R26-A373 PolarHBondContact NH2-O 3.12Å
27	F	97.9	Very high	97.6	Very high	104 Å²	104	52 Å²	52	46%	0.456	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	36.6	-175.3	-58.3	-97.6	0	0	0	112.5	Q23 E24 K25 I145 S146 N147	Q23-F27 PolarHBondContact O-N 3.4Å; E24-F27 PolarHBondContact O-N 3.29Å; K25-F27 VanDerWaalsContact C-N 3.33Å; K25-F27 WeakPolarHBondContact O-CD2 3.19Å; F27-I145 HydrophobicContact CE2-CG2 4.39Å; F27-S146 VanDerWaalsContact CE2-O 3.32Å; F27-S146 WeakPolarHBondContact CE2-O 3.48Å; F27-N147 HydrophobicContact CB-CB 4.4Å; F27-N147 HydrophobicContact CD1-CB 3.85Å; F27-N147 HydrophobicContact CD2-CB 3.8Å; F27-N147 HydrophobicContact CE1-CB 4Å; F27-N147 HydrophobicContact CE2-CB 4Å; F27-N147 HydrophobicContact CG-CB 3.75Å; F27-N147 HydrophobicContact CZ-CB 4.08Å
28	K	96.8	Very high	97.6	Very high	98 Å²	98	55.2 Å²	55.2	43%	0.426	27%	0.267	S	S	.	.	S	Bend	trans	-114	166.9	176.4	-61.1	-56.8	179.9	-173.7	0	110.4	Q23 R26 P30	Q23-K28 PolarHBondContact O-N 2.95Å; R26-K28 HydrophobicContact CB-CG 4.06Å; R26-K28 PolarHBondContact O-N 3.22Å; K28-P30 WeakPolarHBondContact O-CD 3.49Å
29	D	97.6	Very high	97.7	Very high	85 Å²	85	51.3 Å²	51.3	46%	0.455	25%	0.247	S	C	.	.			trans	-68.6	110.3	-174.5	178.4	21	0	0	0	112.1	G31 L32	D29-G31 PolarHBondContact O-N 3.39Å; D29-G31 WeakPolarHBondContact OD1-CA 3.4Å; D29-G31 PolarHBondContact OD1-N 2.71Å; D29-L32 HydrophobicContact CB-CD1 4.35Å; D29-L32 HydrophobicContact CB-CG 4.22Å; D29-L32 PolarHBondContact O-N 2.94Å
30	P	97.4	Very high	97.7	Very high	27 Å²	27	51.3 Å²	51.3	18%	0.175	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-20.9	175	27.5	-33.2	0	0	0	112.9	R20 Q23 E24 K28 L32 V33	R20-P30 HydrophobicContact CG-CB 3.57Å; Q23-P30 HydrophobicContact CB-CB 4.47Å; E24-P30 HydrophobicContact CG-CB 4.01Å; E24-P30 HydrophobicContact CG-CG 4.03Å; K28-P30 WeakPolarHBondContact O-CD 3.49Å; P30-L32 PolarHBondContact O-N 3.29Å; P30-V33 WeakPolarHBondContact O-CB 3.46Å; P30-V33 PolarHBondContact O-N 2.71Å; P30-V33 VanDerWaalsContact O-N 3.07Å
31	G	97.8	Very high	97.6	Very high	18 Å²	18	48 Å²	48	19%	0.186	24%	0.238	C	C	.	.	H	α-helix	trans	-62	-23.3	179.8	0	0	0	0	0	113.6	D29 V33 D34 Q35	D29-G31 PolarHBondContact O-N 3.39Å; D29-G31 WeakPolarHBondContact OD1-CA 3.4Å; D29-G31 PolarHBondContact OD1-N 2.71Å; G31-V33 PolarHBondContact O-N 2.88Å; G31-D34 PolarHBondContact O-N 3.45Å; G31-Q35 WeakPolarHBondContact O-CG 3.46Å; G31-Q35 PolarHBondContact O-N 3.28Å
32	L	97.4	Very high	97.5	Very high	30 Å²	30	47.3 Å²	47.3	16%	0.157	24%	0.235	C	C	.	.	H	α-helix	trans	-60.8	-32.4	173.6	-65.5	174.9	0	0	0	112.5	D29 P30 L36 E134 I135	D29-L32 HydrophobicContact CB-CD1 4.35Å; D29-L32 HydrophobicContact CB-CG 4.22Å; D29-L32 PolarHBondContact O-N 2.94Å; P30-L32 PolarHBondContact O-N 3.29Å; L32-L36 VanDerWaalsContact O-CB 3.26Å; L32-L36 WeakPolarHBondContact O-CB 3.39Å; L32-L36 PolarHBondContact O-N 3.46Å; L32-E134 HydrophobicContact CD1-CB 3.92Å; L32-I135 HydrophobicContact CB-CD1 4.16Å; L32-I135 HydrophobicContact CB-CG1 4.05Å
33	V	97.9	Very high	97.5	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-66.4	-45.1	177.5	-177.8	0	0	0	0	110.1	F8 P16 I19 Q23 P30 G31 L36 V37 I135	F8-V33 HydrophobicContact CD1-CG1 4.05Å; F8-V33 HydrophobicContact CE1-CG1 4.17Å; P16-V33 HydrophobicContact CB-CG1 4.2Å; I19-V33 HydrophobicContact CG2-CG2 3.97Å; Q23-V33 HydrophobicContact CG-CG2 4.01Å; P30-V33 WeakPolarHBondContact O-CB 3.46Å; P30-V33 PolarHBondContact O-N 2.71Å; P30-V33 VanDerWaalsContact O-N 3.07Å; G31-V33 PolarHBondContact O-N 2.88Å; V33-L36 PolarHBondContact O-N 2.86Å; V33-V37 VanDerWaalsContact O-CG2 3.29Å; V33-V37 WeakPolarHBondContact O-CG2 3.5Å; V33-V37 PolarHBondContact O-N 3.19Å; V33-I135 HydrophobicContact CG2-CD1 4.2Å
34	D	97.1	Very high	97.3	Very high	93 Å²	93	51.6 Å²	51.6	50%	0.497	25%	0.25	S	S	.	.	H	α-helix	trans	-66	-43.1	179.8	-63.2	-35.3	0	0	0	111.3	G31 L36 V37 K38	G31-D34 PolarHBondContact O-N 3.45Å; D34-L36 VanDerWaalsContact C-N 3.34Å; D34-L36 PolarHBondContact O-N 2.54Å; D34-V37 PolarHBondContact O-N 3.01Å; D34-K38 WeakPolarHBondContact O-CB 3.5Å; D34-K38 PolarHBondContact O-N 2.84Å
35	Q	97.8	Very high	97.1	Very high	91 Å²	91	56 Å²	56	43%	0.425	26%	0.263	S	S	.	.	H	α-helix	trans	-61.2	-42.7	175.2	-67.5	175.6	28.5	0	0	111.6	G31 K38 A39 N131	G31-Q35 WeakPolarHBondContact O-CG 3.46Å; G31-Q35 PolarHBondContact O-N 3.28Å; Q35-K38 PolarHBondContact O-N 3.15Å; Q35-A39 WeakPolarHBondContact O-CB 3.32Å; Q35-A39 PolarHBondContact O-N 3.13Å; Q35-N131 PolarHBondContact OE1-OD1 3.01Å
36	L	98.1	Very high	96.8	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.7	-48.7	175.9	-174.9	161.8	0	0	0	111.8	L5 F8 L32 V33 D34 K38 A39 D40 R128 N131 L132 I135	L5-L36 HydrophobicContact CD2-CD2 4.21Å; F8-L36 HydrophobicContact CB-CD2 3.85Å; F8-L36 HydrophobicContact CD1-CD1 4.11Å; F8-L36 HydrophobicContact CD1-CD2 3.67Å; F8-L36 HydrophobicContact CD1-CG 4.41Å; F8-L36 HydrophobicContact CD2-CD2 4.21Å; F8-L36 HydrophobicContact CE1-CD1 3.8Å; F8-L36 HydrophobicContact CE1-CD2 4.22Å; F8-L36 HydrophobicContact CE2-CD1 4.32Å; F8-L36 HydrophobicContact CG-CD1 4.49Å; F8-L36 HydrophobicContact CG-CD2 3.65Å; F8-L36 HydrophobicContact CZ-CD1 3.9Å; L32-L36 VanDerWaalsContact O-CB 3.26Å; L32-L36 WeakPolarHBondContact O-CB 3.39Å; L32-L36 PolarHBondContact O-N 3.46Å; V33-L36 PolarHBondContact O-N 2.86Å; D34-L36 VanDerWaalsContact C-N 3.34Å; D34-L36 PolarHBondContact O-N 2.54Å; L36-K38 VanDerWaalsContact C-N 3.29Å; L36-K38 PolarHBondContact O-N 2.96Å; L36-A39 PolarHBondContact O-N 3.43Å; L36-D40 WeakPolarHBondContact O-CB 3.35Å; L36-D40 PolarHBondContact O-N 3.34Å; L36-R128 HydrophobicContact CD2-CG 4.47Å; L36-R128 HydrophobicContact CG-CG 4.14Å; L36-N131 HydrophobicContact CB-CB 4.04Å; L36-L132 HydrophobicContact CD1-CB 3.62Å; L36-L132 HydrophobicContact CD1-CD1 3.68Å; L36-L132 HydrophobicContact CD1-CG 4.18Å; L36-I135 HydrophobicContact CD1-CD1 3.72Å
37	V	97.8	Very high	96.5	Very high	41 Å²	41	59.1 Å²	59.1	25%	0.248	28%	0.275	C	S	.	.	H	α-helix	trans	-61.2	-40.3	179.9	170.5	0	0	0	0	110.8	F8 P16 V33 D34 S41	F8-V37 HydrophobicContact CB-CG2 4.19Å; F8-V37 HydrophobicContact CD1-CG2 4.49Å; P16-V37 HydrophobicContact CB-CG2 4.16Å; P16-V37 HydrophobicContact CG-CG2 4.21Å; V33-V37 VanDerWaalsContact O-CG2 3.29Å; V33-V37 WeakPolarHBondContact O-CG2 3.5Å; V33-V37 PolarHBondContact O-N 3.19Å; D34-V37 PolarHBondContact O-N 3.01Å; V37-S41 VanDerWaalsContact O-CB 3.3Å; V37-S41 WeakPolarHBondContact O-CB 3.44Å; V37-S41 PolarHBondContact O-N 3.36Å; V37-S41 PolarHBondContact O-OG 3.17Å
38	K	97.7	Very high	96.2	Very high	130 Å²	130	60.6 Å²	60.6	57%	0.565	28%	0.282	S	S	*	.	H	α-helix	trans	-62	-54.5	174.7	-176.1	-175.1	174.1	-168.6	0	111.2	D34 Q35 L36 D40 S41 E42	D34-K38 WeakPolarHBondContact O-CB 3.5Å; D34-K38 PolarHBondContact O-N 2.84Å; Q35-K38 PolarHBondContact O-N 3.15Å; L36-K38 VanDerWaalsContact C-N 3.29Å; L36-K38 PolarHBondContact O-N 2.96Å; K38-D40 VanDerWaalsContact C-N 3.32Å; K38-D40 PolarHBondContact O-N 2.83Å; K38-S41 WeakPolarHBondContact O-CB 3.44Å; K38-S41 PolarHBondContact O-N 3.01Å; K38-S41 VanDerWaalsContact O-N 3.13Å; K38-E42 WeakPolarHBondContact CE-OE1 3.15Å; K38-E42 PolarHBondContact O-N 2.71Å
39	A	97.5	Very high	95.9	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.1	-39.8	-180	0	0	0	0	0	112.1	Q35 L36 W43 E127 R128	Q35-A39 WeakPolarHBondContact O-CB 3.32Å; Q35-A39 PolarHBondContact O-N 3.13Å; L36-A39 PolarHBondContact O-N 3.43Å; A39-W43 WeakPolarHBondContact O-CB 3.26Å; A39-W43 PolarHBondContact O-N 3.4Å; A39-E127 HydrophobicContact CB-CG 4.37Å; A39-R128 HydrophobicContact CB-CB 4.06Å
40	D	97.4	Very high	95.5	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-65.9	-39.5	175.2	-172.8	72.7	0	0	0	112.7	R9 L36 K38 W43 R44 R128	R9-D40 IonicContact CZ-OD1 2.73Å; R9-D40 IonicContact CZ-OD2 3.63Å; R9-D40 IonicContact NE-OD1 3.38Å; R9-D40 IonicContact NE-OD2 3.79Å; R9-D40 PolarHBondContact NE-OD2 2.99Å; R9-D40 IonicContact NH2-OD1 2.66Å; R9-D40 PolarHBondContact NH2-OD1 2.75Å; R9-D40 IonicContact NH2-OD2 3.73Å; R9-D40 PolarHBondContact NH2-OD2 2.83Å; L36-D40 WeakPolarHBondContact O-CB 3.35Å; L36-D40 PolarHBondContact O-N 3.34Å; K38-D40 VanDerWaalsContact C-N 3.32Å; K38-D40 PolarHBondContact O-N 2.83Å; D40-W43 PolarHBondContact O-N 2.67Å; D40-R44 WeakPolarHBondContact O-CB 3.29Å; D40-R44 WeakPolarHBondContact O-CG 3.22Å; D40-R44 PolarHBondContact O-N 3.06Å; D40-R44 IonicContact OD2-CZ 2.74Å; D40-R44 IonicContact OD2-NE 3.33Å; D40-R44 PolarHBondContact OD2-NE 2.8Å; D40-R44 IonicContact OD2-NH2 2.67Å; D40-R128 HydrophobicContact CB-CG 4.43Å; D40-R128 WeakPolarHBondContact OD1-CD 3.49Å; D40-R128 IonicContact OD1-CZ 3.81Å; D40-R128 IonicContact OD1-NE 3.79Å; D40-R128 IonicContact OD1-NH1 2.79Å; D40-R128 PolarHBondContact OD1-NH1 2.74Å
41	S	96.4	Very high	95.1	Very high	28 Å²	28	60.2 Å²	60.2	20%	0.196	28%	0.276	C	S	.	.	H	α-helix	trans	-66.2	-44	178.1	-62.8	0	0	0	0	111.6	V37 K38 R44 R45	V37-S41 VanDerWaalsContact O-CB 3.3Å; V37-S41 WeakPolarHBondContact O-CB 3.44Å; V37-S41 PolarHBondContact O-N 3.36Å; V37-S41 PolarHBondContact O-OG 3.17Å; K38-S41 WeakPolarHBondContact O-CB 3.44Å; K38-S41 PolarHBondContact O-N 3.01Å; K38-S41 VanDerWaalsContact O-N 3.13Å; S41-R44 PolarHBondContact O-N 2.82Å; S41-R45 WeakPolarHBondContact O-CG 3.36Å; S41-R45 PolarHBondContact O-N 3.23Å; S41-R45 VanDerWaalsContact O-N 3.1Å
42	E	96.4	Very high	94.8	Very high	68 Å²	68	61.5 Å²	61.5	32%	0.318	28%	0.278	S	S	.	.	H	α-helix	trans	-63.4	-44.8	173.8	-70	176.9	-171.6	0	0	110.9	K38 R44 R45 C46 L124	K38-E42 WeakPolarHBondContact CE-OE1 3.15Å; K38-E42 PolarHBondContact O-N 2.71Å; E42-R44 VanDerWaalsContact C-N 3.32Å; E42-R44 PolarHBondContact O-N 3.07Å; E42-R45 WeakPolarHBondContact O-CB 3.33Å; E42-R45 PolarHBondContact O-N 3.2Å; E42-R45 VanDerWaalsContact O-N 3.13Å; E42-C46 PolarHBondContact O-N 3.16Å; E42-C46 PolarHBondContact O-SG 3.24Å; E42-C46 VanDerWaalsContact O-SG 3.4Å; E42-L124 HydrophobicContact CB-CD1 3.93Å; E42-L124 HydrophobicContact CB-CD2 3.98Å
43	W	96.8	Very high	94.5	Very high	23 Å²	23	60.3 Å²	60.3	9%	0.087	27%	0.272	C	S	.	.	H	α-helix	trans	-58.8	-42.2	176.5	178.5	96	0	0	0	112.2	A39 D40 C46 R47 R121 L124 R128	A39-W43 WeakPolarHBondContact O-CB 3.26Å; A39-W43 PolarHBondContact O-N 3.4Å; D40-W43 PolarHBondContact O-N 2.67Å; W43-C46 PolarHBondContact O-N 3.04Å; W43-R47 WeakPolarHBondContact O-CB 3.3Å; W43-R47 PolarHBondContact O-N 3.29Å; W43-R121 HydrophobicContact CG-CG 4.5Å; W43-L124 HydrophobicContact CB-CB 4.04Å; W43-L124 HydrophobicContact CB-CD1 4.49Å; W43-R128 VanDerWaalsContact CE3-NH1 3.32Å
44	R	94.1	Very high	94.2	Very high	78 Å²	78	63.3 Å²	63.3	29%	0.294	29%	0.288	S	S	.	.	H	α-helix	trans	-64.9	-38.6	176.9	-77.4	-171	-72.9	153.9	-0.2	111.9	D11 D40 S41 E42 R47 F48	D11-R44 VanDerWaalsContact CG-NH1 3.3Å; D11-R44 IonicContact OD1-CZ 3.47Å; D11-R44 IonicContact OD1-NH1 2.68Å; D11-R44 PolarHBondContact OD1-NH1 3.37Å; D11-R44 IonicContact OD1-NH2 2.7Å; D11-R44 IonicContact OD2-NH1 3.76Å; D11-R44 PolarHBondContact OD2-NH1 3.44Å; D40-R44 WeakPolarHBondContact O-CB 3.29Å; D40-R44 WeakPolarHBondContact O-CG 3.22Å; D40-R44 PolarHBondContact O-N 3.06Å; D40-R44 IonicContact OD2-CZ 2.74Å; D40-R44 IonicContact OD2-NE 3.33Å; D40-R44 PolarHBondContact OD2-NE 2.8Å; D40-R44 IonicContact OD2-NH2 2.67Å; S41-R44 PolarHBondContact O-N 2.82Å; E42-R44 VanDerWaalsContact C-N 3.32Å; E42-R44 PolarHBondContact O-N 3.07Å; R44-R47 PolarHBondContact O-N 3.11Å; R44-F48 PolarHBondContact O-N 2.96Å
45	R	93.1	Very high	93.9	Very high	179 Å²	179	65.3 Å²	65.3	68%	0.675	29%	0.293	S	S	*	.	H	α-helix	trans	-64.6	-45.5	173.7	-67.8	175.1	-158	175.1	5.9	111.5	S41 E42 R47 F48 R49	S41-R45 WeakPolarHBondContact O-CG 3.36Å; S41-R45 PolarHBondContact O-N 3.23Å; S41-R45 VanDerWaalsContact O-N 3.1Å; E42-R45 WeakPolarHBondContact O-CB 3.33Å; E42-R45 PolarHBondContact O-N 3.2Å; E42-R45 VanDerWaalsContact O-N 3.13Å; R45-R47 VanDerWaalsContact C-N 3.3Å; R45-R47 PolarHBondContact O-N 3.33Å; R45-F48 PolarHBondContact O-N 3.07Å; R45-R49 WeakPolarHBondContact O-CB 3.39Å; R45-R49 PolarHBondContact O-N 2.93Å
46	C	92.8	Very high	93.6	Very high	18 Å²	18	62.1 Å²	62.1	12%	0.122	28%	0.278	C	S	.	.	H	α-helix	trans	-59	-42.2	175.6	-69	0	0	0	0	111.4	E42 W43 R49 A50	E42-C46 PolarHBondContact O-N 3.16Å; E42-C46 PolarHBondContact O-SG 3.24Å; E42-C46 VanDerWaalsContact O-SG 3.4Å; W43-C46 PolarHBondContact O-N 3.04Å; C46-R49 PolarHBondContact O-N 3.06Å; C46-A50 WeakPolarHBondContact O-CB 3.42Å; C46-A50 PolarHBondContact O-N 3.24Å
47	R	90.9	Very high	93.3	Very high	125 Å²	125	64.7 Å²	64.7	47%	0.472	29%	0.29	S	S	.	.	H	α-helix	trans	-63.3	-45.9	176.3	-174.6	169.8	-176.6	138.6	1.3	112.5	W43 R44 R45 R49 A50 D51	W43-R47 WeakPolarHBondContact O-CB 3.3Å; W43-R47 PolarHBondContact O-N 3.29Å; R44-R47 PolarHBondContact O-N 3.11Å; R45-R47 VanDerWaalsContact C-N 3.3Å; R45-R47 PolarHBondContact O-N 3.33Å; R47-R49 VanDerWaalsContact C-N 3.32Å; R47-R49 PolarHBondContact O-N 3.43Å; R47-A50 PolarHBondContact O-N 3.03Å; R47-D51 PolarHBondContact O-N 3.32Å
48	F	91.1	Very high	93.1	Very high	135 Å²	135	67.8 Å²	67.8	59%	0.592	31%	0.305	S	S	*	.	H	α-helix	trans	-60.4	-42.7	176.2	179.3	-101	0	0	0	111.9	R44 R45 D51 N52	R44-F48 PolarHBondContact O-N 2.96Å; R45-F48 PolarHBondContact O-N 3.07Å; F48-D51 PolarHBondContact O-N 3.16Å; F48-N52 WeakPolarHBondContact CE1-ND2 3.42Å; F48-N52 WeakPolarHBondContact CZ-ND2 2.99Å; F48-N52 PolarHBondContact O-N 3.49Å; F48-N52 VanDerWaalsContact O-N 3.08Å
49	R	90.4	Very high	92.9	Very high	113 Å²	113	63.9 Å²	63.9	43%	0.426	29%	0.289	S	S	.	.	H	α-helix	trans	-60.3	-46.5	174.3	-178.1	176.5	172	98.3	0	111.5	R45 C46 R47 D51 N52 L53 C117	R45-R49 WeakPolarHBondContact O-CB 3.39Å; R45-R49 PolarHBondContact O-N 2.93Å; C46-R49 PolarHBondContact O-N 3.06Å; R47-R49 VanDerWaalsContact C-N 3.32Å; R47-R49 PolarHBondContact O-N 3.43Å; R49-D51 VanDerWaalsContact C-N 3.35Å; R49-D51 PolarHBondContact O-N 3.24Å; R49-N52 PolarHBondContact O-N 2.99Å; R49-L53 HydrophobicContact CG-CD1 4.1Å; R49-L53 HydrophobicContact CG-CG 4.42Å; R49-L53 WeakPolarHBondContact O-CG 3.46Å; R49-L53 PolarHBondContact O-N 2.88Å; R49-C117 VanDerWaalsContact CD-SG 3.54Å; R49-C117 PolarHBondContact NE-SG 2.93Å
50	A	89.3	Confident	92.6	Very high	9 Å²	9	63.9 Å²	63.9	7%	0.074	29%	0.289	C	S	.	.	H	α-helix	trans	-60.9	-41.2	177.4	0	0	0	0	0	112.4	C46 R47 N52 L53 N54	C46-A50 WeakPolarHBondContact O-CB 3.42Å; C46-A50 PolarHBondContact O-N 3.24Å; R47-A50 PolarHBondContact O-N 3.03Å; A50-N52 VanDerWaalsContact C-N 3.32Å; A50-N52 PolarHBondContact O-N 2.9Å; A50-L53 PolarHBondContact O-N 2.88Å; A50-N54 WeakPolarHBondContact O-CB 3.4Å; A50-N54 PolarHBondContact O-N 3.38Å; A50-N54 PolarHBondContact O-ND2 3.2Å
51	D	89.9	Confident	92.5	Very high	81 Å²	81	65.5 Å²	65.5	43%	0.433	30%	0.301	S	S	.	.	H	α-helix	trans	-62.4	-39.7	176	-73.3	-22	0	0	0	111.7	R47 F48 R49 K55	R47-D51 PolarHBondContact O-N 3.32Å; F48-D51 PolarHBondContact O-N 3.16Å; R49-D51 VanDerWaalsContact C-N 3.35Å; R49-D51 PolarHBondContact O-N 3.24Å; D51-K55 WeakPolarHBondContact O-CG 3.49Å; D51-K55 PolarHBondContact O-N 2.71Å; D51-K55 VanDerWaalsContact O-N 3.15Å
52	N	90.4	Very high	92.4	Very high	44 Å²	44	70.4 Å²	70.4	24%	0.235	32%	0.319	C	S	.	.	H	α-helix	trans	-69.7	-44.6	176.6	-70.6	-16.3	0	0	0	112.2	F48 R49 A50 N54 K55 L56	F48-N52 WeakPolarHBondContact CE1-ND2 3.42Å; F48-N52 WeakPolarHBondContact CZ-ND2 2.99Å; F48-N52 PolarHBondContact O-N 3.49Å; F48-N52 VanDerWaalsContact O-N 3.08Å; R49-N52 PolarHBondContact O-N 2.99Å; A50-N52 VanDerWaalsContact C-N 3.32Å; A50-N52 PolarHBondContact O-N 2.9Å; N52-N54 VanDerWaalsContact C-N 3.26Å; N52-N54 PolarHBondContact O-N 2.96Å; N52-K55 WeakPolarHBondContact O-CB 3.48Å; N52-K55 PolarHBondContact O-N 3.34Å; N52-L56 WeakPolarHBondContact O-CG 3.39Å; N52-L56 PolarHBondContact O-N 3.33Å
53	L	91	Very high	92.2	Very high	5 Å²	5	67.7 Å²	67.7	3%	0.026	31%	0.307	C	S	.	.	H	α-helix	trans	-57.8	-40	175	-69.7	171.3	0	0	0	111.7	R49 A50 L56 K57 F87 I110 A113 I114	R49-L53 HydrophobicContact CG-CD1 4.1Å; R49-L53 HydrophobicContact CG-CG 4.42Å; R49-L53 WeakPolarHBondContact O-CG 3.46Å; R49-L53 PolarHBondContact O-N 2.88Å; A50-L53 PolarHBondContact O-N 2.88Å; L53-L56 PolarHBondContact O-N 3.23Å; L53-K57 WeakPolarHBondContact O-CB 3.47Å; L53-K57 PolarHBondContact O-N 2.95Å; L53-F87 HydrophobicContact CD2-CB 4.27Å; L53-F87 HydrophobicContact CD2-CD2 3.5Å; L53-F87 HydrophobicContact CD2-CE2 4.13Å; L53-F87 HydrophobicContact CD2-CG 4.15Å; L53-I110 HydrophobicContact CB-CG2 4.24Å; L53-I110 HydrophobicContact CD2-CG2 4.33Å; L53-I110 WeakPolarHBondContact O-CG2 3.39Å; L53-A113 HydrophobicContact CD1-CB 4.04Å; L53-A113 HydrophobicContact CD2-CB 4.36Å; L53-I114 HydrophobicContact CB-CD1 4.07Å; L53-I114 HydrophobicContact CB-CG1 3.54Å; L53-I114 HydrophobicContact CD1-CG1 4.05Å; L53-I114 HydrophobicContact CG-CG1 4.41Å
54	N	91.6	Very high	92	Very high	64 Å²	64	67.7 Å²	67.7	34%	0.342	31%	0.309	S	S	.	.	H	α-helix	trans	-63.5	-40.3	174.6	-81.9	-58.8	0	0	0	112.7	A50 N52 K57 N58	A50-N54 WeakPolarHBondContact O-CB 3.4Å; A50-N54 PolarHBondContact O-N 3.38Å; A50-N54 PolarHBondContact O-ND2 3.2Å; N52-N54 VanDerWaalsContact C-N 3.26Å; N52-N54 PolarHBondContact O-N 2.96Å; N54-K57 PolarHBondContact O-N 2.98Å; N54-N58 WeakPolarHBondContact O-CB 3.18Å; N54-N58 VanDerWaalsContact O-CG 3.25Å; N54-N58 PolarHBondContact O-N 3.35Å; N54-N58 PolarHBondContact O-ND2 2.64Å
55	K	91.7	Very high	91.9	Very high	136 Å²	136	65.5 Å²	65.5	59%	0.591	31%	0.31	S	S	*	.	H	α-helix	trans	-62.1	-43.8	173.5	-69.5	170	-170.4	163.8	0	111.4	D51 N52 N58 L59	D51-K55 WeakPolarHBondContact O-CG 3.49Å; D51-K55 PolarHBondContact O-N 2.71Å; D51-K55 VanDerWaalsContact O-N 3.15Å; N52-K55 WeakPolarHBondContact O-CB 3.48Å; N52-K55 PolarHBondContact O-N 3.34Å; K55-N58 PolarHBondContact O-N 3.14Å; K55-L59 PolarHBondContact O-N 3.41Å
56	L	90.9	Very high	91.9	Very high	23 Å²	23	61.2 Å²	61.2	12%	0.12	30%	0.298	C	S	.	.	H	α-helix	trans	-64.5	-43.9	178	-66	176.4	0	0	0	111.8	N52 L53 N58 L59 C60 F87 L90 I110	N52-L56 WeakPolarHBondContact O-CG 3.39Å; N52-L56 PolarHBondContact O-N 3.33Å; L53-L56 PolarHBondContact O-N 3.23Å; L56-N58 VanDerWaalsContact C-N 3.3Å; L56-N58 PolarHBondContact O-N 3.16Å; L56-L59 WeakPolarHBondContact O-CA 3.48Å; L56-L59 WeakPolarHBondContact O-CB 3.44Å; L56-L59 PolarHBondContact O-N 3.39Å; L56-L59 VanDerWaalsContact O-N 3.09Å; L56-C60 PolarHBondContact O-N 3.47Å; L56-C60 PolarHBondContact O-SG 3.03Å; L56-C60 VanDerWaalsContact O-SG 3.33Å; L56-F87 HydrophobicContact CD1-CB 3.93Å; L56-F87 WeakPolarHBondContact CD1-O 3.36Å; L56-L90 HydrophobicContact CB-CD2 4.32Å; L56-L90 HydrophobicContact CD1-CB 4.41Å; L56-L90 HydrophobicContact CD2-CB 4.05Å; L56-L90 HydrophobicContact CD2-CD2 4.08Å; L56-I110 HydrophobicContact CB-CD1 4.08Å
57	K	92.8	Very high	91.9	Very high	55 Å²	55	61.3 Å²	61.3	24%	0.239	30%	0.296	C	S	.	.	H	α-helix	trans	-56.5	-43.3	173.4	177.8	-179.9	175.8	169.8	0	112.4	L53 N54 L59 C60 S61 R107 I110 D111 I114	L53-K57 WeakPolarHBondContact O-CB 3.47Å; L53-K57 PolarHBondContact O-N 2.95Å; N54-K57 PolarHBondContact O-N 2.98Å; K57-L59 VanDerWaalsContact C-N 3.35Å; K57-C60 PolarHBondContact O-N 2.62Å; K57-S61 WeakPolarHBondContact O-CB 3.46Å; K57-S61 PolarHBondContact O-N 2.91Å; K57-S61 PolarHBondContact O-OG 3.26Å; K57-R107 HydrophobicContact CG-CG 4.34Å; K57-I110 HydrophobicContact CB-CG2 3.92Å; K57-D111 VanDerWaalsContact CD-OD1 3.23Å; K57-D111 WeakPolarHBondContact CD-OD1 3.25Å; K57-D111 WeakPolarHBondContact CE-OD1 3.49Å; K57-D111 IonicContact NZ-OD1 2.85Å; K57-D111 PolarHBondContact NZ-OD1 3.16Å; K57-I114 HydrophobicContact CB-CD1 4.5Å; K57-I114 HydrophobicContact CD-CD1 4.01Å
58	N	93.9	Very high	91.9	Very high	106 Å²	106	60.1 Å²	60.1	57%	0.567	30%	0.297	S	S	*	.	H	α-helix	trans	-65.7	-39.5	176.4	-72	-24.9	0	0	0	111.3	N54 K55 L56 S61 K62	N54-N58 WeakPolarHBondContact O-CB 3.18Å; N54-N58 VanDerWaalsContact O-CG 3.25Å; N54-N58 PolarHBondContact O-N 3.35Å; N54-N58 PolarHBondContact O-ND2 2.64Å; K55-N58 PolarHBondContact O-N 3.14Å; L56-N58 VanDerWaalsContact C-N 3.3Å; L56-N58 PolarHBondContact O-N 3.16Å; N58-S61 PolarHBondContact O-N 2.83Å; N58-K62 WeakPolarHBondContact O-CB 3.32Å; N58-K62 PolarHBondContact O-N 2.77Å
59	L	92.6	Very high	92.1	Very high	47 Å²	47	62.4 Å²	62.4	25%	0.246	31%	0.307	C	S	.	.	H	α-helix	trans	-62	-48.9	174.4	-174.8	62	0	0	0	111.4	K55 L56 K57 S61 K62 T63 A92 L95	K55-L59 PolarHBondContact O-N 3.41Å; L56-L59 WeakPolarHBondContact O-CA 3.48Å; L56-L59 WeakPolarHBondContact O-CB 3.44Å; L56-L59 PolarHBondContact O-N 3.39Å; L56-L59 VanDerWaalsContact O-N 3.09Å; K57-L59 VanDerWaalsContact C-N 3.35Å; L59-S61 VanDerWaalsContact C-N 3.29Å; L59-S61 PolarHBondContact O-N 3.25Å; L59-K62 WeakPolarHBondContact O-CB 3.45Å; L59-K62 PolarHBondContact O-N 3.38Å; L59-K62 VanDerWaalsContact O-N 3.14Å; L59-T63 PolarHBondContact O-N 3.02Å; L59-T63 PolarHBondContact O-OG1 2.96Å; L59-A92 HydrophobicContact CD1-CB 4.34Å; L59-A92 HydrophobicContact CD2-CB 4.47Å; L59-L95 HydrophobicContact CB-CD1 4.32Å; L59-L95 HydrophobicContact CD2-CD1 3.72Å; L59-L95 HydrophobicContact CG-CD1 3.68Å
60	C	92	Very high	92.2	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-55.1	-45.1	174.3	-64.8	0	0	0	0	111.8	L56 K57 K62 T63 I64 I103 R107	L56-C60 PolarHBondContact O-N 3.47Å; L56-C60 PolarHBondContact O-SG 3.03Å; L56-C60 VanDerWaalsContact O-SG 3.33Å; K57-C60 PolarHBondContact O-N 2.62Å; C60-K62 VanDerWaalsContact C-N 3.34Å; C60-K62 PolarHBondContact O-N 2.88Å; C60-T63 PolarHBondContact O-N 3.32Å; C60-I64 VanDerWaalsContact O-CG1 3.27Å; C60-I64 WeakPolarHBondContact O-CG1 3.41Å; C60-I64 PolarHBondContact O-N 2.9Å; C60-I103 HydrophobicContact CB-CG2 3.82Å; C60-R107 HydrophobicContact CB-CB 4.27Å
61	S	93.9	Very high	92.3	Very high	39 Å²	39	72.8 Å²	72.8	27%	0.273	35%	0.353	S	S	.	.	H	α-helix	trans	-65	-38.3	179.8	-59.7	0	0	0	0	112.2	K57 N58 L59 G65 R107	K57-S61 WeakPolarHBondContact O-CB 3.46Å; K57-S61 PolarHBondContact O-N 2.91Å; K57-S61 PolarHBondContact O-OG 3.26Å; N58-S61 PolarHBondContact O-N 2.83Å; L59-S61 VanDerWaalsContact C-N 3.29Å; L59-S61 PolarHBondContact O-N 3.25Å; S61-G65 PolarHBondContact O-N 3.01Å; S61-G65 VanDerWaalsContact O-N 3.1Å; S61-R107 PolarHBondContact OG-NH1 2.89Å
62	K	94.3	Very high	92.2	Very high	130 Å²	130	72 Å²	72	57%	0.565	35%	0.347	S	S	*	.	H	α-helix	trans	-64.3	-49.1	174.2	-176.7	-178.5	171.7	-173.2	0	111.3	N58 L59 C60 I64 G65 E66	N58-K62 WeakPolarHBondContact O-CB 3.32Å; N58-K62 PolarHBondContact O-N 2.77Å; L59-K62 WeakPolarHBondContact O-CB 3.45Å; L59-K62 PolarHBondContact O-N 3.38Å; L59-K62 VanDerWaalsContact O-N 3.14Å; C60-K62 VanDerWaalsContact C-N 3.34Å; C60-K62 PolarHBondContact O-N 2.88Å; K62-I64 PolarHBondContact O-N 3.5Å; K62-G65 PolarHBondContact O-N 3.33Å; K62-G65 VanDerWaalsContact O-N 3.1Å; K62-E66 WeakPolarHBondContact CE-OE1 3.43Å; K62-E66 WeakPolarHBondContact O-CG 3.1Å; K62-E66 PolarHBondContact O-N 2.83Å
63	T	92.6	Very high	92	Very high	11 Å²	11	75.3 Å²	75.3	7%	0.067	37%	0.371	C	S	.	.	H	α-helix	trans	-61.9	-42.1	180	-50.6	0	0	0	0	111.8	L59 C60 G65 E66 K67 L95 I103	L59-T63 PolarHBondContact O-N 3.02Å; L59-T63 PolarHBondContact O-OG1 2.96Å; C60-T63 PolarHBondContact O-N 3.32Å; T63-G65 VanDerWaalsContact C-N 3.33Å; T63-G65 PolarHBondContact O-N 3.29Å; T63-E66 PolarHBondContact O-N 2.97Å; T63-K67 HydrophobicContact CG2-CD 4.35Å; T63-K67 WeakPolarHBondContact O-CG 3.12Å; T63-K67 PolarHBondContact O-N 3.37Å; T63-L95 HydrophobicContact CG2-CB 4.42Å; T63-I103 HydrophobicContact CG2-CD1 3.99Å
64	I	91.9	Very high	91.6	Very high	23 Å²	23	78.2 Å²	78.2	12%	0.118	39%	0.389	C	S	.	.	H	α-helix	trans	-57.5	-48	172.5	-70	165	0	0	0	110.3	C60 K62 E66 K67 M68 V100 I103 K104	C60-I64 VanDerWaalsContact O-CG1 3.27Å; C60-I64 WeakPolarHBondContact O-CG1 3.41Å; C60-I64 PolarHBondContact O-N 2.9Å; K62-I64 PolarHBondContact O-N 3.5Å; I64-E66 VanDerWaalsContact C-N 3.33Å; I64-E66 PolarHBondContact O-N 2.93Å; I64-K67 PolarHBondContact O-N 3.31Å; I64-M68 HydrophobicContact CG2-CG 4.14Å; I64-M68 WeakPolarHBondContact O-CB 3.44Å; I64-M68 WeakPolarHBondContact O-CG 3.41Å; I64-M68 PolarHBondContact O-N 3.12Å; I64-V100 HydrophobicContact CG2-CG1 4.21Å; I64-I103 HydrophobicContact CD1-CB 4.3Å; I64-I103 HydrophobicContact CD1-CG2 3.8Å; I64-I103 HydrophobicContact CG1-CB 4.01Å; I64-I103 HydrophobicContact CG1-CG2 3.64Å; I64-K104 HydrophobicContact CD1-CG 3.89Å
65	G	93.4	Very high	91.1	Very high	32 Å²	32	76.4 Å²	76.4	33%	0.33	39%	0.385	S	S	.	.	H	α-helix	trans	-60.2	-39.5	179.4	0	0	0	0	0	113.4	S61 K62 T63 K69	S61-G65 PolarHBondContact O-N 3.01Å; S61-G65 VanDerWaalsContact O-N 3.1Å; K62-G65 PolarHBondContact O-N 3.33Å; K62-G65 VanDerWaalsContact O-N 3.1Å; T63-G65 VanDerWaalsContact C-N 3.33Å; T63-G65 PolarHBondContact O-N 3.29Å; G65-K69 WeakPolarHBondContact O-CG 3.24Å; G65-K69 PolarHBondContact O-N 2.86Å; G65-K69 VanDerWaalsContact O-N 3.12Å
66	E	93.3	Very high	90.4	Very high	89 Å²	89	77 Å²	77	42%	0.416	40%	0.395	S	S	.	.	H	α-helix	trans	-67.9	-46.3	176.9	-71.6	174.4	-178.5	0	0	112.4	K62 T63 I64 K69 K70	K62-E66 WeakPolarHBondContact CE-OE1 3.43Å; K62-E66 WeakPolarHBondContact O-CG 3.1Å; K62-E66 PolarHBondContact O-N 2.83Å; T63-E66 PolarHBondContact O-N 2.97Å; I64-E66 VanDerWaalsContact C-N 3.33Å; I64-E66 PolarHBondContact O-N 2.93Å; E66-K69 PolarHBondContact O-N 3.16Å; E66-K70 WeakPolarHBondContact O-CG 3.3Å; E66-K70 PolarHBondContact O-N 2.95Å; E66-K70 VanDerWaalsContact O-N 3.13Å
67	K	92.3	Very high	89.5	Confident	20 Å²	20	78.9 Å²	78.9	9%	0.087	41%	0.405	C	S	.	.	H	α-helix	trans	-63.8	-41	177.4	-70.3	-175.9	168.2	-97.8	0	112.3	T63 I64 K69 K70 K71 E72 S96 L98 V100 I103	T63-K67 HydrophobicContact CG2-CD 4.35Å; T63-K67 WeakPolarHBondContact O-CG 3.12Å; T63-K67 PolarHBondContact O-N 3.37Å; I64-K67 PolarHBondContact O-N 3.31Å; K67-K69 PolarHBondContact O-N 2.79Å; K67-K70 CarbonylContact O-C 3.56Å; K67-K70 PolarHBondContact O-N 3.39Å; K67-K71 PolarHBondContact O-N 3.18Å; K67-E72 HydrophobicContact CB-CB 4.33Å; K67-E72 WeakPolarHBondContact CD-OE2 3.42Å; K67-E72 VanDerWaalsContact CG-OE2 3.27Å; K67-E72 WeakPolarHBondContact CG-OE2 3.11Å; K67-E72 IonicContact NZ-OE2 3.24Å; K67-E72 PolarHBondContact NZ-OE2 3.45Å; K67-E72 PolarHBondContact O-N 3.48Å; K67-E72 VanDerWaalsContact O-N 3.16Å; K67-S96 VanDerWaalsContact CE-O 3.29Å; K67-S96 WeakPolarHBondContact CE-O 3.38Å; K67-S96 PolarHBondContact NZ-O 2.79Å; K67-L98 WeakPolarHBondContact CE-O 3.5Å; K67-L98 PolarHBondContact NZ-O 3.49Å; K67-V100 HydrophobicContact CB-CG2 3.9Å; K67-V100 HydrophobicContact CD-CG2 4.18Å; K67-I103 HydrophobicContact CD-CD1 3.89Å
68	M	91.6	Very high	88.3	Confident	100 Å²	100	82.4 Å²	82.4	49%	0.493	42%	0.423	S	S	.	.	H	α-helix	trans	-64.3	-39.1	176	-70.2	-65.4	-66.6	0	0	112.2	I64 K70 K71 V74 V100	I64-M68 HydrophobicContact CG2-CG 4.14Å; I64-M68 WeakPolarHBondContact O-CB 3.44Å; I64-M68 WeakPolarHBondContact O-CG 3.41Å; I64-M68 PolarHBondContact O-N 3.12Å; M68-K70 VanDerWaalsContact C-N 3.29Å; M68-K70 PolarHBondContact O-N 3.17Å; M68-K71 PolarHBondContact O-N 3.09Å; M68-K71 VanDerWaalsContact O-N 3.12Å; M68-V74 HydrophobicContact SD-CG2 4.47Å; M68-V100 HydrophobicContact SD-CG1 4.29Å
69	K	94.1	Very high	87.7	Confident	183 Å²	183	84.1 Å²	84.1	80%	0.796	43%	0.425	S	S	*	.	H	α-helix	trans	-63	-35.4	173.7	-78.3	176.6	-179.2	-178.9	0	112.5	G65 E66 K67 K71	G65-K69 WeakPolarHBondContact O-CG 3.24Å; G65-K69 PolarHBondContact O-N 2.86Å; G65-K69 VanDerWaalsContact O-N 3.12Å; E66-K69 PolarHBondContact O-N 3.16Å; K67-K69 PolarHBondContact O-N 2.79Å; K69-K71 PolarHBondContact O-N 2.82Å
70	K	93	Very high	87	Confident	152 Å²	152	83.1 Å²	83.1	66%	0.661	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-2.2	175.5	-69.3	177.9	-178.9	176.7	0	113.9	E66 K67 M68 E72	E66-K70 WeakPolarHBondContact O-CG 3.3Å; E66-K70 PolarHBondContact O-N 2.95Å; E66-K70 VanDerWaalsContact O-N 3.13Å; K67-K70 CarbonylContact O-C 3.56Å; K67-K70 PolarHBondContact O-N 3.39Å; M68-K70 VanDerWaalsContact C-N 3.29Å; M68-K70 PolarHBondContact O-N 3.17Å; K70-E72 HydrophobicContact CB-CG 4.2Å; K70-E72 PolarHBondContact O-N 3.41Å
71	K	91.3	Very high	86.3	Confident	188 Å²	188	84.6 Å²	84.6	82%	0.817	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	33.8	-175.3	-56.7	-178.8	179.1	179.4	0	113	K67 M68 K69	K67-K71 PolarHBondContact O-N 3.18Å; M68-K71 PolarHBondContact O-N 3.09Å; M68-K71 VanDerWaalsContact O-N 3.12Å; K69-K71 PolarHBondContact O-N 2.82Å
72	E	88.4	Confident	85.4	Confident	65 Å²	65	90.5 Å²	90.5	30%	0.304	45%	0.453	S	S	.	.			trans	-60.8	142.5	172.5	-72.6	178.2	-148.4	0	0	110	K67 K70 V74	K67-E72 HydrophobicContact CB-CB 4.33Å; K67-E72 WeakPolarHBondContact CD-OE2 3.42Å; K67-E72 VanDerWaalsContact CG-OE2 3.27Å; K67-E72 WeakPolarHBondContact CG-OE2 3.11Å; K67-E72 IonicContact NZ-OE2 3.24Å; K67-E72 PolarHBondContact NZ-OE2 3.45Å; K67-E72 PolarHBondContact O-N 3.48Å; K67-E72 VanDerWaalsContact O-N 3.16Å; K70-E72 HydrophobicContact CB-CG 4.2Å; K70-E72 PolarHBondContact O-N 3.41Å; E72-V74 PolarHBondContact O-N 3.21Å
73	P	84.8	Confident	84.4	Confident	113 Å²	113	89.5 Å²	89.5	73%	0.734	45%	0.453	S	S	*	.			trans	-56.1	133.3	174.3	-23	32.8	0	0	0	110.7	G75	P73-G75 PolarHBondContact O-N 3.18Å; P73-G75 VanDerWaalsContact O-N 3.17Å
74	V	82.6	Confident	83.5	Confident	67 Å²	67	89.1 Å²	89.1	41%	0.406	45%	0.451	S	S	.	.			trans	-60.4	-31.5	-176.3	176.9	0	0	0	0	111.7	M68 E72 V100 S101	M68-V74 HydrophobicContact SD-CG2 4.47Å; E72-V74 PolarHBondContact O-N 3.21Å; V74-V100 HydrophobicContact CG1-CB 4.18Å; V74-V100 HydrophobicContact CG1-CG1 4.24Å; V74-V100 PolarHBondContact O-N 2.9Å; V74-S101 PolarHBondContact O-N 2.81Å; V74-S101 PolarHBondContact O-OG 2.96Å
75	G	81.7	Confident	82.7	Confident	25 Å²	25	92 Å²	92	26%	0.258	47%	0.466	S	S	.	.			trans	81.1	141.9	-170.8	0	0	0	0	0	111.5	P73 S101	P73-G75 PolarHBondContact O-N 3.18Å; P73-G75 VanDerWaalsContact O-N 3.17Å; G75-S101 WeakPolarHBondContact O-CB 3.23Å; G75-S101 PolarHBondContact O-OG 3.32Å
76	D	76.8	Confident	82	Confident	148 Å²	148	93.8 Å²	93.8	79%	0.791	47%	0.468	S	S	*	.			trans	-98.4	-8.4	168.3	55.8	-19	0	0	0	111.9	E78	D76-E78 PolarHBondContact O-N 2.68Å
77	D	72.1	Confident	81.4	Confident	63 Å²	63	91 Å²	91	34%	0.337	46%	0.455	S	S	.	.			trans	-69.6	124.6	179.3	-163	-13.4	0	0	0	110.8	F79 K99 S101	D77-F79 WeakPolarHBondContact OD1-CB 3.32Å; D77-F79 PolarHBondContact OD1-N 2.99Å; D77-K99 HydrophobicContact CB-CD 4.34Å; D77-S101 WeakPolarHBondContact O-CB 3.46Å; D77-S101 PolarHBondContact O-OG 2.78Å
78	E	68.2	Low	80.4	Confident	130 Å²	130	95.8 Å²	95.8	61%	0.607	48%	0.481	S	S	*	.			trans	-110.8	-4.7	-173.3	-87.9	-148.3	-177	0	0	112.4	D76 K105	D76-E78 PolarHBondContact O-N 2.68Å; E78-K105 VanDerWaalsContact CD-NZ 3.29Å; E78-K105 WeakPolarHBondContact O-CD 3.45Å; E78-K105 PolarHBondContact O-NZ 3.45Å; E78-K105 WeakPolarHBondContact OE2-CE 3.5Å; E78-K105 IonicContact OE2-NZ 3.74Å; E78-K105 PolarHBondContact OE2-NZ 3.42Å
79	F	80.5	Confident	79.6	Confident	142 Å²	142	95.7 Å²	95.7	62%	0.623	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-79.2	131.7	179.1	-176.2	-100.7	0	0	0	110.6	D77 Q102	D77-F79 WeakPolarHBondContact OD1-CB 3.32Å; D77-F79 PolarHBondContact OD1-N 2.99Å; F79-Q102 WeakPolarHBondContact O-CG 3.38Å; F79-Q102 PolarHBondContact O-NE2 2.92Å
80	I	78.6	Confident	78.9	Confident	26 Å²	26	87.6 Å²	87.6	13%	0.133	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-103.6	121.3	174.8	-54.8	175.3	0	0	0	107.3	V84 L85 K105 V106 L109	I80-V84 HydrophobicContact CG2-CB 4.09Å; I80-V84 HydrophobicContact CG2-CG1 4.14Å; I80-L85 HydrophobicContact CB-CD2 4.48Å; I80-L85 HydrophobicContact CG2-CD2 3.97Å; I80-L85 HydrophobicContact CG2-CG 4.31Å; I80-K105 HydrophobicContact CD1-CB 3.68Å; I80-K105 HydrophobicContact CD1-CD 4.45Å; I80-K105 HydrophobicContact CG1-CB 4.21Å; I80-K105 HydrophobicContact CG1-CD 4.47Å; I80-V106 HydrophobicContact CD1-CG2 4.28Å; I80-V106 HydrophobicContact CG2-CG2 3.84Å; I80-L109 HydrophobicContact CD1-CD1 3.59Å
81	P	77.4	Confident	78.4	Confident	31 Å²	31	83.5 Å²	83.5	20%	0.201	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-58	141.2	174.4	-24.8	35.8	0	0	0	112.1	D83 V84 L98	P81-D83 VanDerWaalsContact C-N 3.26Å; P81-D83 WeakPolarHBondContact CB-OD1 3.31Å; P81-D83 PolarHBondContact O-N 3.17Å; P81-V84 HydrophobicContact CB-CG2 4.02Å; P81-V84 HydrophobicContact CG-CG2 4.31Å; P81-V84 WeakPolarHBondContact O-CB 3.33Å; P81-V84 PolarHBondContact O-N 3.08Å; P81-L98 HydrophobicContact CG-CD2 4.11Å
82	E	75.3	Confident	78	Confident	163 Å²	163	77 Å²	77	76%	0.762	42%	0.418	S	S	*	.	H	α-helix	trans	-62.3	-32	-175.8	-74.8	-177.2	168.5	0	0	113.2	V84 L85	E82-V84 PolarHBondContact O-N 3.14Å; E82-L85 HydrophobicContact CG-CD1 4.46Å; E82-L85 WeakPolarHBondContact O-CB 3.38Å; E82-L85 PolarHBondContact O-N 3.31Å
83	D	72.6	Confident	77.8	Confident	108 Å²	108	80 Å²	80	58%	0.578	44%	0.436	S	S	*	.	H	α-helix	trans	-62.6	-20.7	174.1	57.8	-50.2	0	0	0	113.1	P81	P81-D83 VanDerWaalsContact C-N 3.26Å; P81-D83 WeakPolarHBondContact CB-OD1 3.31Å; P81-D83 PolarHBondContact O-N 3.17Å
84	V	73.5	Confident	77.8	Confident	3 Å²	3	76.8 Å²	76.8	2%	0.018	41%	0.414	C	S	.	.	H	α-helix	trans	-91.6	-13.6	177.8	-175.9	0	0	0	0	111.6	I80 P81 E82 N86 L90 L98 V106	I80-V84 HydrophobicContact CG2-CB 4.09Å; I80-V84 HydrophobicContact CG2-CG1 4.14Å; P81-V84 HydrophobicContact CB-CG2 4.02Å; P81-V84 HydrophobicContact CG-CG2 4.31Å; P81-V84 WeakPolarHBondContact O-CB 3.33Å; P81-V84 PolarHBondContact O-N 3.08Å; E82-V84 PolarHBondContact O-N 3.14Å; V84-N86 VanDerWaalsContact C-N 3.34Å; V84-L90 HydrophobicContact CB-CD1 4.42Å; V84-L90 HydrophobicContact CG1-CD1 3.54Å; V84-L98 HydrophobicContact CG1-CD1 3.74Å; V84-L98 HydrophobicContact CG2-CD1 4.15Å; V84-L98 HydrophobicContact CG2-CD2 4.39Å; V84-V106 HydrophobicContact CG1-CG1 4.32Å; V84-V106 HydrophobicContact CG1-CG2 3.6Å
85	L	74.6	Confident	77.9	Confident	85 Å²	85	73.6 Å²	73.6	45%	0.445	40%	0.395	S	S	.	.	H	α-helix	trans	-78.3	-19.5	176.5	-64.7	173.1	0	0	0	112.6	I80 E82 F87 L109	I80-L85 HydrophobicContact CB-CD2 4.48Å; I80-L85 HydrophobicContact CG2-CD2 3.97Å; I80-L85 HydrophobicContact CG2-CG 4.31Å; E82-L85 HydrophobicContact CG-CD1 4.46Å; E82-L85 WeakPolarHBondContact O-CB 3.38Å; E82-L85 PolarHBondContact O-N 3.31Å; L85-F87 PolarHBondContact O-N 2.93Å; L85-L109 HydrophobicContact CD2-CD1 3.75Å
86	N	80.4	Confident	78.1	Confident	69 Å²	69	75.3 Å²	75.3	37%	0.369	40%	0.403	S	S	.	.			trans	-82.6	98.9	167.3	-169.2	4.3	0	0	0	110.2	V84 D88 D89	V84-N86 VanDerWaalsContact C-N 3.34Å; N86-D88 PolarHBondContact O-N 2.92Å; N86-D88 VanDerWaalsContact O-N 3.13Å; N86-D88 PolarHBondContact OD1-N 2.94Å; N86-D89 HydrophobicContact CB-CB 4.47Å; N86-D89 PolarHBondContact ND2-OD2 3.16Å; N86-D89 PolarHBondContact O-N 3.05Å
87	F	79.1	Confident	78.5	Confident	29 Å²	29	72.4 Å²	72.4	13%	0.127	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-61.1	-23.8	-178.8	-60.2	-31.1	0	0	0	113.8	L53 L56 L85 D89 L90 L109 I110 A113	L53-F87 HydrophobicContact CD2-CB 4.27Å; L53-F87 HydrophobicContact CD2-CD2 3.5Å; L53-F87 HydrophobicContact CD2-CE2 4.13Å; L53-F87 HydrophobicContact CD2-CG 4.15Å; L56-F87 HydrophobicContact CD1-CB 3.93Å; L56-F87 WeakPolarHBondContact CD1-O 3.36Å; L85-F87 PolarHBondContact O-N 2.93Å; F87-D89 PolarHBondContact O-N 3.28Å; F87-L90 WeakPolarHBondContact O-CB 3.49Å; F87-L90 PolarHBondContact O-N 3.38Å; F87-L109 HydrophobicContact CE1-CB 4.48Å; F87-L109 HydrophobicContact CZ-CB 3.93Å; F87-I110 HydrophobicContact CD1-CG1 4.05Å; F87-I110 HydrophobicContact CE1-CG1 3.73Å; F87-I110 HydrophobicContact CE2-CG1 4.27Å; F87-I110 HydrophobicContact CG-CG1 4.46Å; F87-I110 HydrophobicContact CZ-CG1 3.84Å; F87-A113 HydrophobicContact CD2-CB 4.43Å; F87-A113 HydrophobicContact CE2-CB 3.69Å
88	D	72.4	Confident	79.3	Confident	121 Å²	121	69.9 Å²	69.9	65%	0.647	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-69.5	-21.8	178.2	-65.3	-33.2	0	0	0	112.2	N86	N86-D88 PolarHBondContact O-N 2.92Å; N86-D88 VanDerWaalsContact O-N 3.13Å; N86-D88 PolarHBondContact OD1-N 2.94Å
89	D	73.3	Confident	80.4	Confident	99 Å²	99	68 Å²	68	53%	0.529	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-98.9	3	179.9	-61.4	-35.6	0	0	0	113.1	N86 F87 T91	N86-D89 HydrophobicContact CB-CB 4.47Å; N86-D89 PolarHBondContact ND2-OD2 3.16Å; N86-D89 PolarHBondContact O-N 3.05Å; F87-D89 PolarHBondContact O-N 3.28Å; D89-T91 PolarHBondContact O-N 3.11Å
90	L	80.1	Confident	80.8	Confident	12 Å²	12	61.2 Å²	61.2	6%	0.063	35%	0.346	C	S	.	.			trans	-77	113.5	-175.5	-152.2	91.9	0	0	0	111.1	L56 V84 F87 L95 V106 I110	L56-L90 HydrophobicContact CB-CD2 4.32Å; L56-L90 HydrophobicContact CD1-CB 4.41Å; L56-L90 HydrophobicContact CD2-CB 4.05Å; L56-L90 HydrophobicContact CD2-CD2 4.08Å; V84-L90 HydrophobicContact CB-CD1 4.42Å; V84-L90 HydrophobicContact CG1-CD1 3.54Å; F87-L90 WeakPolarHBondContact O-CB 3.49Å; F87-L90 PolarHBondContact O-N 3.38Å; L90-L95 HydrophobicContact CD1-CD2 4.35Å; L90-L95 HydrophobicContact CD2-CD1 3.87Å; L90-L95 HydrophobicContact CD2-CD2 3.97Å; L90-L95 HydrophobicContact CD2-CG 4.04Å; L90-L95 HydrophobicContact CG-CD1 4.33Å; L90-L95 HydrophobicContact CG-CD2 4.23Å; L90-L95 HydrophobicContact CG-CG 4.09Å; L90-V106 HydrophobicContact CD1-CG1 4.27Å; L90-V106 HydrophobicContact CD2-CG1 4.36Å; L90-I110 HydrophobicContact CD2-CD1 4.26Å
91	T	83	Confident	81.3	Confident	67 Å²	67	60.9 Å²	60.9	41%	0.411	35%	0.346	S	S	.	.			trans	-116.7	170.1	-179.7	64.5	0	0	0	0	111.6	D89 D93 T94 L95	D89-T91 PolarHBondContact O-N 3.11Å; T91-D93 PolarHBondContact O-N 3.4Å; T91-T94 PolarHBondContact N-OG1 3.35Å; T91-T94 PolarHBondContact O-OG1 3.42Å; T91-T94 VanDerWaalsContact O-OG1 3.11Å; T91-T94 WeakPolarHBondContact OG1-CG2 3.31Å; T91-T94 PolarHBondContact OG1-N 2.89Å; T91-T94 PolarHBondContact OG1-OG1 3.19Å; T91-L95 WeakPolarHBondContact O-CB 3.16Å; T91-L95 WeakPolarHBondContact O-CG 3.31Å; T91-L95 PolarHBondContact O-N 3.45Å; T91-L95 VanDerWaalsContact O-N 3.11Å
92	A	82.9	Confident	81.9	Confident	52 Å²	52	60.1 Å²	60.1	43%	0.43	34%	0.339	S	S	.	.	H	α-helix	trans	-61.2	-36.6	173.8	0	0	0	0	0	111.5	L59 S96	L59-A92 HydrophobicContact CD1-CB 4.34Å; L59-A92 HydrophobicContact CD2-CB 4.47Å; A92-S96 WeakPolarHBondContact O-CB 3.39Å; A92-S96 PolarHBondContact O-N 3.09Å
93	D	84	Confident	82.5	Confident	127 Å²	127	52.3 Å²	52.3	68%	0.679	30%	0.303	S	S	*	.	H	α-helix	trans	-70.3	-44.8	-178.5	-63.4	-31.4	0	0	0	111.1	T91 L95 S96 A97	T91-D93 PolarHBondContact O-N 3.4Å; D93-L95 PolarHBondContact O-N 3.39Å; D93-S96 PolarHBondContact O-N 3.2Å; D93-S96 VanDerWaalsContact O-N 3.14Å; D93-S96 PolarHBondContact O-OG 3.09Å; D93-A97 PolarHBondContact O-N 3.18Å
94	T	84.6	Confident	83.4	Confident	46 Å²	46	52.2 Å²	52.2	28%	0.282	30%	0.297	S	S	.	.	H	α-helix	trans	-63.2	-41.5	176.1	57	0	0	0	0	111.6	T91 S96 A97	T91-T94 PolarHBondContact N-OG1 3.35Å; T91-T94 PolarHBondContact O-OG1 3.42Å; T91-T94 VanDerWaalsContact O-OG1 3.11Å; T91-T94 WeakPolarHBondContact OG1-CG2 3.31Å; T91-T94 PolarHBondContact OG1-N 2.89Å; T91-T94 PolarHBondContact OG1-OG1 3.19Å; T94-S96 VanDerWaalsContact C-N 3.31Å; T94-S96 PolarHBondContact O-N 3.24Å; T94-A97 PolarHBondContact O-N 2.67Å
95	L	85.4	Confident	84.2	Confident	0 Å²	0	55 Å²	55	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-65.9	-30.8	174.5	-75.1	173.9	0	0	0	113.5	L59 T63 L90 T91 D93 A97 L98 I103	L59-L95 HydrophobicContact CB-CD1 4.32Å; L59-L95 HydrophobicContact CD2-CD1 3.72Å; L59-L95 HydrophobicContact CG-CD1 3.68Å; T63-L95 HydrophobicContact CG2-CB 4.42Å; L90-L95 HydrophobicContact CD1-CD2 4.35Å; L90-L95 HydrophobicContact CD2-CD1 3.87Å; L90-L95 HydrophobicContact CD2-CD2 3.97Å; L90-L95 HydrophobicContact CD2-CG 4.04Å; L90-L95 HydrophobicContact CG-CD1 4.33Å; L90-L95 HydrophobicContact CG-CD2 4.23Å; L90-L95 HydrophobicContact CG-CG 4.09Å; T91-L95 WeakPolarHBondContact O-CB 3.16Å; T91-L95 WeakPolarHBondContact O-CG 3.31Å; T91-L95 PolarHBondContact O-N 3.45Å; T91-L95 VanDerWaalsContact O-N 3.11Å; D93-L95 PolarHBondContact O-N 3.39Å; L95-A97 VanDerWaalsContact C-N 3.3Å; L95-L98 HydrophobicContact CD2-CD1 4.26Å; L95-L98 PolarHBondContact O-N 2.87Å; L95-I103 HydrophobicContact CD2-CG1 4.5Å; L95-I103 HydrophobicContact CD2-CG2 4.27Å; L95-I103 WeakPolarHBondContact O-CD1 3.17Å
96	S	84.6	Confident	84.9	Confident	61 Å²	61	51 Å²	51	43%	0.427	29%	0.288	S	S	.	.	H	α-helix	trans	-69.6	-29.6	179.1	78.5	0	0	0	0	112.8	K67 A92 D93 T94 L98	K67-S96 VanDerWaalsContact CE-O 3.29Å; K67-S96 WeakPolarHBondContact CE-O 3.38Å; K67-S96 PolarHBondContact NZ-O 2.79Å; A92-S96 WeakPolarHBondContact O-CB 3.39Å; A92-S96 PolarHBondContact O-N 3.09Å; D93-S96 PolarHBondContact O-N 3.2Å; D93-S96 VanDerWaalsContact O-N 3.14Å; D93-S96 PolarHBondContact O-OG 3.09Å; T94-S96 VanDerWaalsContact C-N 3.31Å; T94-S96 PolarHBondContact O-N 3.24Å; S96-L98 VanDerWaalsContact C-N 3.28Å; S96-L98 PolarHBondContact O-N 3.44Å
97	A	86.9	Confident	85.5	Confident	86 Å²	86	52.3 Å²	52.3	71%	0.711	29%	0.288	S	S	*	.	H	α-helix	trans	-72.8	-19.3	177.6	0	0	0	0	0	113.3	D93 T94 L95	D93-A97 PolarHBondContact O-N 3.18Å; T94-A97 PolarHBondContact O-N 2.67Å; L95-A97 VanDerWaalsContact C-N 3.3Å
98	L	88.4	Confident	86.1	Confident	11 Å²	11	55.9 Å²	55.9	6%	0.058	31%	0.308	C	S	.	.	S	Bend	trans	-84.8	155	-178.4	-61	175.9	0	0	0	113	K67 P81 V84 L95 S96 Q102 I103	K67-L98 WeakPolarHBondContact CE-O 3.5Å; K67-L98 PolarHBondContact NZ-O 3.49Å; P81-L98 HydrophobicContact CG-CD2 4.11Å; V84-L98 HydrophobicContact CG1-CD1 3.74Å; V84-L98 HydrophobicContact CG2-CD1 4.15Å; V84-L98 HydrophobicContact CG2-CD2 4.39Å; L95-L98 HydrophobicContact CD2-CD1 4.26Å; L95-L98 PolarHBondContact O-N 2.87Å; S96-L98 VanDerWaalsContact C-N 3.28Å; S96-L98 PolarHBondContact O-N 3.44Å; L98-Q102 HydrophobicContact CB-CB 4.24Å; L98-I103 HydrophobicContact CB-CD1 4.25Å; L98-I103 HydrophobicContact CB-CG1 3.7Å; L98-I103 HydrophobicContact CD1-CG1 4.4Å
99	K	90	Very high	86.9	Confident	89 Å²	89	52.8 Å²	52.8	39%	0.387	29%	0.291	S	S	.	.			trans	-78.5	160.9	170.6	-62.9	-177.2	-173	165.8	0	111.2	D77 S101 Q102 I103	D77-K99 HydrophobicContact CB-CD 4.34Å; K99-S101 VanDerWaalsContact C-N 3.29Å; K99-S101 PolarHBondContact O-N 3.45Å; K99-Q102 PolarHBondContact O-N 2.8Å; K99-Q102 VanDerWaalsContact O-N 3.16Å; K99-I103 WeakPolarHBondContact O-CG1 3.45Å; K99-I103 PolarHBondContact O-N 3.49Å
100	V	89.2	Confident	87.8	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.006	27%	0.266	C	S	.	.	H	α-helix	trans	-60.6	-38	-178	176.8	0	0	0	0	111.8	I64 K67 M68 V74 K104	I64-V100 HydrophobicContact CG2-CG1 4.21Å; K67-V100 HydrophobicContact CB-CG2 3.9Å; K67-V100 HydrophobicContact CD-CG2 4.18Å; M68-V100 HydrophobicContact SD-CG1 4.29Å; V74-V100 HydrophobicContact CG1-CB 4.18Å; V74-V100 HydrophobicContact CG1-CG1 4.24Å; V74-V100 PolarHBondContact O-N 2.9Å; V100-K104 HydrophobicContact CG1-CD 4.31Å; V100-K104 WeakPolarHBondContact O-CG 3.4Å; V100-K104 PolarHBondContact O-N 3.3Å
101	S	89.5	Confident	88.4	Confident	19 Å²	19	49 Å²	49	13%	0.133	27%	0.271	C	S	.	.	H	α-helix	trans	-57.4	-46.8	174.3	54.7	0	0	0	0	112.5	V74 G75 D77 K99 K104 K105	V74-S101 PolarHBondContact O-N 2.81Å; V74-S101 PolarHBondContact O-OG 2.96Å; G75-S101 WeakPolarHBondContact O-CB 3.23Å; G75-S101 PolarHBondContact O-OG 3.32Å; D77-S101 WeakPolarHBondContact O-CB 3.46Å; D77-S101 PolarHBondContact O-OG 2.78Å; K99-S101 VanDerWaalsContact C-N 3.29Å; K99-S101 PolarHBondContact O-N 3.45Å; S101-K104 PolarHBondContact O-N 3.23Å; S101-K105 PolarHBondContact O-N 2.57Å
102	Q	89.3	Confident	88.9	Confident	14 Å²	14	51.7 Å²	51.7	7%	0.065	28%	0.279	C	S	.	.	H	α-helix	trans	-66.6	-45.9	179.7	-64.2	171.4	-52.5	0	0	111.5	F79 L98 K99 K104 K105 V106	F79-Q102 WeakPolarHBondContact O-CG 3.38Å; F79-Q102 PolarHBondContact O-NE2 2.92Å; L98-Q102 HydrophobicContact CB-CB 4.24Å; K99-Q102 PolarHBondContact O-N 2.8Å; K99-Q102 VanDerWaalsContact O-N 3.16Å; Q102-K104 VanDerWaalsContact C-N 3.27Å; Q102-K104 PolarHBondContact O-N 2.85Å; Q102-K105 PolarHBondContact O-N 3.02Å; Q102-V106 WeakPolarHBondContact O-CG2 3.48Å; Q102-V106 PolarHBondContact O-N 3.12Å
103	I	89.7	Confident	89.3	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.9	-35.9	179	-56.3	162.6	0	0	0	110.9	C60 T63 I64 K67 L95 L98 K99 V106 R107	C60-I103 HydrophobicContact CB-CG2 3.82Å; T63-I103 HydrophobicContact CG2-CD1 3.99Å; I64-I103 HydrophobicContact CD1-CB 4.3Å; I64-I103 HydrophobicContact CD1-CG2 3.8Å; I64-I103 HydrophobicContact CG1-CB 4.01Å; I64-I103 HydrophobicContact CG1-CG2 3.64Å; K67-I103 HydrophobicContact CD-CD1 3.89Å; L95-I103 HydrophobicContact CD2-CG1 4.5Å; L95-I103 HydrophobicContact CD2-CG2 4.27Å; L95-I103 WeakPolarHBondContact O-CD1 3.17Å; L98-I103 HydrophobicContact CB-CD1 4.25Å; L98-I103 HydrophobicContact CB-CG1 3.7Å; L98-I103 HydrophobicContact CD1-CG1 4.4Å; K99-I103 WeakPolarHBondContact O-CG1 3.45Å; K99-I103 PolarHBondContact O-N 3.49Å; I103-V106 PolarHBondContact O-N 3.22Å; I103-R107 WeakPolarHBondContact O-CB 3.48Å; I103-R107 PolarHBondContact O-N 3.18Å
104	K	90.8	Very high	89.6	Confident	105 Å²	105	44.7 Å²	44.7	46%	0.457	24%	0.236	S	C	.	.	H	α-helix	trans	-62.3	-41.7	173.3	-77.2	175.7	178.3	179.1	0	111.9	I64 V100 S101 Q102 R107 L108	I64-K104 HydrophobicContact CD1-CG 3.89Å; V100-K104 HydrophobicContact CG1-CD 4.31Å; V100-K104 WeakPolarHBondContact O-CG 3.4Å; V100-K104 PolarHBondContact O-N 3.3Å; S101-K104 PolarHBondContact O-N 3.23Å; Q102-K104 VanDerWaalsContact C-N 3.27Å; Q102-K104 PolarHBondContact O-N 2.85Å; K104-R107 PolarHBondContact O-N 3.08Å; K104-L108 WeakPolarHBondContact O-CG 3.26Å; K104-L108 PolarHBondContact O-N 3.03Å; K104-L108 VanDerWaalsContact O-N 3.12Å
105	K	89.8	Confident	90.1	Very high	62 Å²	62	49.3 Å²	49.3	27%	0.27	26%	0.255	S	S	.	.	H	α-helix	trans	-68.1	-43.9	176.1	-69.3	-169.3	170.4	-163.3	0	112.8	E78 I80 S101 Q102 R107 L108 L109	E78-K105 VanDerWaalsContact CD-NZ 3.29Å; E78-K105 WeakPolarHBondContact O-CD 3.45Å; E78-K105 PolarHBondContact O-NZ 3.45Å; E78-K105 WeakPolarHBondContact OE2-CE 3.5Å; E78-K105 IonicContact OE2-NZ 3.74Å; E78-K105 PolarHBondContact OE2-NZ 3.42Å; I80-K105 HydrophobicContact CD1-CB 3.68Å; I80-K105 HydrophobicContact CD1-CD 4.45Å; I80-K105 HydrophobicContact CG1-CB 4.21Å; I80-K105 HydrophobicContact CG1-CD 4.47Å; S101-K105 PolarHBondContact O-N 2.57Å; Q102-K105 PolarHBondContact O-N 3.02Å; K105-R107 PolarHBondContact O-N 3.21Å; K105-L108 WeakPolarHBondContact O-CB 3.48Å; K105-L108 PolarHBondContact O-N 3.47Å; K105-L109 PolarHBondContact O-N 3.01Å
106	V	90.1	Very high	90.4	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.006	28%	0.284	C	S	.	.	H	α-helix	trans	-55.8	-43.4	174	172.7	0	0	0	0	110.3	I80 V84 L90 Q102 I103 L108 L109 I110	I80-V106 HydrophobicContact CD1-CG2 4.28Å; I80-V106 HydrophobicContact CG2-CG2 3.84Å; V84-V106 HydrophobicContact CG1-CG1 4.32Å; V84-V106 HydrophobicContact CG1-CG2 3.6Å; L90-V106 HydrophobicContact CD1-CG1 4.27Å; L90-V106 HydrophobicContact CD2-CG1 4.36Å; Q102-V106 WeakPolarHBondContact O-CG2 3.48Å; Q102-V106 PolarHBondContact O-N 3.12Å; I103-V106 PolarHBondContact O-N 3.22Å; V106-L108 VanDerWaalsContact C-N 3.34Å; V106-L108 PolarHBondContact O-N 2.86Å; V106-L109 PolarHBondContact O-N 3.44Å; V106-I110 HydrophobicContact CG1-CD1 3.94Å; V106-I110 HydrophobicContact CG1-CG1 4.49Å; V106-I110 WeakPolarHBondContact O-CG1 3.01Å; V106-I110 PolarHBondContact O-N 3.28Å
107	R	91.8	Very high	90.8	Very high	96 Å²	96	53.4 Å²	53.4	36%	0.362	27%	0.265	S	S	.	.	H	α-helix	trans	-60.4	-40.5	175.2	-176.8	-175.7	138.1	175.8	-9.4	112.8	K57 C60 S61 I103 K104 K105 I110 D111	K57-R107 HydrophobicContact CG-CG 4.34Å; C60-R107 HydrophobicContact CB-CB 4.27Å; S61-R107 PolarHBondContact OG-NH1 2.89Å; I103-R107 WeakPolarHBondContact O-CB 3.48Å; I103-R107 PolarHBondContact O-N 3.18Å; K104-R107 PolarHBondContact O-N 3.08Å; K105-R107 PolarHBondContact O-N 3.21Å; R107-I110 PolarHBondContact O-N 2.89Å; R107-D111 IonicContact NE-OD2 2.69Å; R107-D111 PolarHBondContact O-N 3.44Å
108	L	91.8	Very high	90.9	Very high	104 Å²	104	52.3 Å²	52.3	55%	0.545	25%	0.248	S	C	.	.	H	α-helix	trans	-62.5	-42.6	176	-69.9	171.3	0	0	0	111.6	K104 K105 V106 I110 D111 E112	K104-L108 WeakPolarHBondContact O-CG 3.26Å; K104-L108 PolarHBondContact O-N 3.03Å; K104-L108 VanDerWaalsContact O-N 3.12Å; K105-L108 WeakPolarHBondContact O-CB 3.48Å; K105-L108 PolarHBondContact O-N 3.47Å; V106-L108 VanDerWaalsContact C-N 3.34Å; V106-L108 PolarHBondContact O-N 2.86Å; L108-I110 VanDerWaalsContact C-N 3.33Å; L108-I110 PolarHBondContact O-N 2.95Å; L108-D111 WeakPolarHBondContact O-CB 3.47Å; L108-D111 PolarHBondContact O-N 3.05Å; L108-D111 VanDerWaalsContact O-N 3.15Å; L108-E112 WeakPolarHBondContact O-CG 3.41Å; L108-E112 PolarHBondContact O-N 3.03Å
109	L	90.9	Very high	91.2	Very high	57 Å²	57	53.8 Å²	53.8	30%	0.298	27%	0.266	S	S	.	.	H	α-helix	trans	-64.4	-37.1	175.2	-63.6	175.5	0	0	0	112.3	I80 L85 F87 K105 V106 E112 A113	I80-L109 HydrophobicContact CD1-CD1 3.59Å; L85-L109 HydrophobicContact CD2-CD1 3.75Å; F87-L109 HydrophobicContact CE1-CB 4.48Å; F87-L109 HydrophobicContact CZ-CB 3.93Å; K105-L109 PolarHBondContact O-N 3.01Å; V106-L109 PolarHBondContact O-N 3.44Å; L109-E112 PolarHBondContact O-N 3.11Å; L109-A113 WeakPolarHBondContact O-CB 3.29Å; L109-A113 PolarHBondContact O-N 2.82Å
110	I	91.4	Very high	91.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.3	-42.3	172.6	-67.1	166.8	0	0	0	110.3	L53 L56 K57 F87 L90 V106 R107 L108 A113 I114	L53-I110 HydrophobicContact CB-CG2 4.24Å; L53-I110 HydrophobicContact CD2-CG2 4.33Å; L53-I110 WeakPolarHBondContact O-CG2 3.39Å; L56-I110 HydrophobicContact CB-CD1 4.08Å; K57-I110 HydrophobicContact CB-CG2 3.92Å; F87-I110 HydrophobicContact CD1-CG1 4.05Å; F87-I110 HydrophobicContact CE1-CG1 3.73Å; F87-I110 HydrophobicContact CE2-CG1 4.27Å; F87-I110 HydrophobicContact CG-CG1 4.46Å; F87-I110 HydrophobicContact CZ-CG1 3.84Å; L90-I110 HydrophobicContact CD2-CD1 4.26Å; V106-I110 HydrophobicContact CG1-CD1 3.94Å; V106-I110 HydrophobicContact CG1-CG1 4.49Å; V106-I110 WeakPolarHBondContact O-CG1 3.01Å; V106-I110 PolarHBondContact O-N 3.28Å; R107-I110 PolarHBondContact O-N 2.89Å; L108-I110 VanDerWaalsContact C-N 3.33Å; L108-I110 PolarHBondContact O-N 2.95Å; I110-A113 PolarHBondContact O-N 3.28Å; I110-I114 HydrophobicContact CG2-CD1 3.86Å; I110-I114 HydrophobicContact CG2-CG1 4.35Å; I110-I114 VanDerWaalsContact O-CG1 3.26Å; I110-I114 WeakPolarHBondContact O-CG1 3.4Å; I110-I114 PolarHBondContact O-N 2.89Å
111	D	92.8	Very high	91.6	Very high	32 Å²	32	56 Å²	56	17%	0.171	28%	0.275	C	S	.	.	H	α-helix	trans	-60.5	-43.7	176.5	-79.5	-35.7	0	0	0	111.5	K57 R107 L108 I114 Q115	K57-D111 VanDerWaalsContact CD-OD1 3.23Å; K57-D111 WeakPolarHBondContact CD-OD1 3.25Å; K57-D111 WeakPolarHBondContact CE-OD1 3.49Å; K57-D111 IonicContact NZ-OD1 2.85Å; K57-D111 PolarHBondContact NZ-OD1 3.16Å; R107-D111 IonicContact NE-OD2 2.69Å; R107-D111 PolarHBondContact O-N 3.44Å; L108-D111 WeakPolarHBondContact O-CB 3.47Å; L108-D111 PolarHBondContact O-N 3.05Å; L108-D111 VanDerWaalsContact O-N 3.15Å; D111-I114 PolarHBondContact O-N 3.47Å; D111-Q115 WeakPolarHBondContact O-CG 3.41Å; D111-Q115 PolarHBondContact O-N 3.44Å
112	E	92.7	Very high	91.8	Very high	122 Å²	122	59.9 Å²	59.9	57%	0.57	29%	0.294	S	S	*	.	H	α-helix	trans	-62.7	-42.7	173.7	-71.1	173.9	-171.3	0	0	112.2	L108 L109 I114 Q115 K116	L108-E112 WeakPolarHBondContact O-CG 3.41Å; L108-E112 PolarHBondContact O-N 3.03Å; L109-E112 PolarHBondContact O-N 3.11Å; E112-I114 PolarHBondContact O-N 3.45Å; E112-Q115 PolarHBondContact O-N 3.47Å; E112-K116 PolarHBondContact O-N 3.42Å
113	A	91.1	Very high	92.1	Very high	16 Å²	16	66.5 Å²	66.5	13%	0.132	32%	0.322	C	S	.	.	H	α-helix	trans	-65.6	-36.6	177.1	0	0	0	0	0	112.7	L53 F87 L109 I110 K116 C117	L53-A113 HydrophobicContact CD1-CB 4.04Å; L53-A113 HydrophobicContact CD2-CB 4.36Å; F87-A113 HydrophobicContact CD2-CB 4.43Å; F87-A113 HydrophobicContact CE2-CB 3.69Å; L109-A113 WeakPolarHBondContact O-CB 3.29Å; L109-A113 PolarHBondContact O-N 2.82Å; I110-A113 PolarHBondContact O-N 3.28Å; A113-K116 PolarHBondContact O-N 3.08Å; A113-C117 WeakPolarHBondContact O-CB 3.31Å; A113-C117 PolarHBondContact O-N 3.26Å; A113-C117 PolarHBondContact O-SG 2.92Å; A113-C117 VanDerWaalsContact O-SG 3.38Å
114	I	91.5	Very high	92.4	Very high	16 Å²	16	67.2 Å²	67.2	8%	0.082	33%	0.326	C	S	.	.	H	α-helix	trans	-62.3	-48.3	172.9	-70.4	165.7	0	0	0	109.8	L53 K57 I110 D111 E112 K116 C117 D118	L53-I114 HydrophobicContact CB-CD1 4.07Å; L53-I114 HydrophobicContact CB-CG1 3.54Å; L53-I114 HydrophobicContact CD1-CG1 4.05Å; L53-I114 HydrophobicContact CG-CG1 4.41Å; K57-I114 HydrophobicContact CB-CD1 4.5Å; K57-I114 HydrophobicContact CD-CD1 4.01Å; I110-I114 HydrophobicContact CG2-CD1 3.86Å; I110-I114 HydrophobicContact CG2-CG1 4.35Å; I110-I114 VanDerWaalsContact O-CG1 3.26Å; I110-I114 WeakPolarHBondContact O-CG1 3.4Å; I110-I114 PolarHBondContact O-N 2.89Å; D111-I114 PolarHBondContact O-N 3.47Å; E112-I114 PolarHBondContact O-N 3.45Å; I114-K116 VanDerWaalsContact C-N 3.31Å; I114-K116 PolarHBondContact O-N 3.1Å; I114-C117 PolarHBondContact O-N 2.95Å; I114-D118 PolarHBondContact O-N 2.92Å
115	Q	93.8	Very high	92.5	Very high	144 Å²	144	65.6 Å²	65.6	67%	0.673	32%	0.32	S	S	*	.	H	α-helix	trans	-59	-42.6	178.2	-72.3	178.9	7	0	0	112	D111 E112 D118 G119	D111-Q115 WeakPolarHBondContact O-CG 3.41Å; D111-Q115 PolarHBondContact O-N 3.44Å; E112-Q115 PolarHBondContact O-N 3.47Å; Q115-D118 PolarHBondContact O-N 3.17Å; Q115-G119 PolarHBondContact O-N 3.37Å
116	K	92.7	Very high	92.7	Very high	142 Å²	142	65.3 Å²	65.3	62%	0.617	33%	0.329	S	S	*	.	H	α-helix	trans	-62.2	-47.5	175	-175.9	177.9	176.7	-177.6	0	111.7	E112 A113 I114 D118 G119 E120	E112-K116 PolarHBondContact O-N 3.42Å; A113-K116 PolarHBondContact O-N 3.08Å; I114-K116 VanDerWaalsContact C-N 3.31Å; I114-K116 PolarHBondContact O-N 3.1Å; K116-D118 VanDerWaalsContact C-N 3.31Å; K116-D118 PolarHBondContact O-N 3.49Å; K116-G119 PolarHBondContact O-N 2.82Å; K116-E120 WeakPolarHBondContact CE-OE1 3.41Å; K116-E120 PolarHBondContact O-N 3.37Å
117	C	92.1	Very high	93	Very high	4 Å²	4	69.1 Å²	69.1	3%	0.027	35%	0.347	C	S	.	.	H	α-helix	trans	-61.6	-37.6	177.3	-76.6	0	0	0	0	112.4	R49 A113 I114 R121	R49-C117 VanDerWaalsContact CD-SG 3.54Å; R49-C117 PolarHBondContact NE-SG 2.93Å; A113-C117 WeakPolarHBondContact O-CB 3.31Å; A113-C117 PolarHBondContact O-N 3.26Å; A113-C117 PolarHBondContact O-SG 2.92Å; A113-C117 VanDerWaalsContact O-SG 3.38Å; I114-C117 PolarHBondContact O-N 2.95Å; C117-R121 VanDerWaalsContact O-CB 3.24Å; C117-R121 WeakPolarHBondContact O-CB 3.42Å; C117-R121 PolarHBondContact O-N 2.82Å
118	D	90.8	Very high	93.2	Very high	64 Å²	64	65.3 Å²	65.3	34%	0.342	33%	0.332	S	S	.	.	H	α-helix	trans	-67.9	-39.9	175.9	-83.3	-32.4	0	0	0	112.2	I114 Q115 K116 R121 L122	I114-D118 PolarHBondContact O-N 2.92Å; Q115-D118 PolarHBondContact O-N 3.17Å; K116-D118 VanDerWaalsContact C-N 3.31Å; K116-D118 PolarHBondContact O-N 3.49Å; D118-R121 PolarHBondContact O-N 3.02Å; D118-R121 IonicContact OD1-NE 2.77Å; D118-L122 WeakPolarHBondContact O-CG 3.35Å; D118-L122 PolarHBondContact O-N 2.91Å
119	G	93.4	Very high	93.3	Very high	42 Å²	42	63.8 Å²	63.8	43%	0.433	32%	0.322	S	S	.	.	H	α-helix	trans	-60.6	-46.8	172.9	0	0	0	0	0	112.6	Q115 K116 R121 L122 K123	Q115-G119 PolarHBondContact O-N 3.37Å; K116-G119 PolarHBondContact O-N 2.82Å; G119-R121 PolarHBondContact O-N 3.49Å; G119-L122 PolarHBondContact O-N 3.37Å; G119-K123 PolarHBondContact O-N 3.4Å; G119-K123 VanDerWaalsContact O-N 3.12Å
120	E	94.4	Very high	93.3	Very high	80 Å²	80	65.3 Å²	65.3	37%	0.374	33%	0.327	S	S	.	.	H	α-helix	trans	-61.9	-41.9	174.4	-73.1	172.1	-174.8	0	0	111.8	K116 L122 K123 L124	K116-E120 WeakPolarHBondContact CE-OE1 3.41Å; K116-E120 PolarHBondContact O-N 3.37Å; E120-L122 PolarHBondContact O-N 2.87Å; E120-K123 PolarHBondContact O-N 2.99Å; E120-L124 WeakPolarHBondContact O-CB 3.33Å; E120-L124 WeakPolarHBondContact O-CG 3.46Å; E120-L124 PolarHBondContact O-N 3.43Å
121	R	93.5	Very high	93.5	Very high	56 Å²	56	66 Å²	66	21%	0.211	33%	0.331	C	S	.	.	H	α-helix	trans	-61.1	-43.5	178.3	-171.5	-171.2	68.6	69.1	3.7	111.9	W43 C117 D118 G119 E125	W43-R121 HydrophobicContact CG-CG 4.5Å; C117-R121 VanDerWaalsContact O-CB 3.24Å; C117-R121 WeakPolarHBondContact O-CB 3.42Å; C117-R121 PolarHBondContact O-N 2.82Å; D118-R121 PolarHBondContact O-N 3.02Å; D118-R121 IonicContact OD1-NE 2.77Å; G119-R121 PolarHBondContact O-N 3.49Å; R121-E125 IonicContact NH1-OE2 3.68Å; R121-E125 PolarHBondContact NH1-OE2 3.17Å; R121-E125 VanDerWaalsContact O-CB 3.26Å; R121-E125 WeakPolarHBondContact O-CB 3.36Å; R121-E125 PolarHBondContact O-N 3.1Å
122	L	93.4	Very high	93.6	Very high	101 Å²	101	64.9 Å²	64.9	53%	0.529	33%	0.325	S	S	.	.	H	α-helix	trans	-65.7	-40.2	177.4	-72.1	172.6	0	0	0	111.7	D118 G119 E120 E125 A126	D118-L122 WeakPolarHBondContact O-CG 3.35Å; D118-L122 PolarHBondContact O-N 2.91Å; G119-L122 PolarHBondContact O-N 3.37Å; E120-L122 PolarHBondContact O-N 2.87Å; L122-E125 PolarHBondContact O-N 3.39Å; L122-A126 PolarHBondContact O-N 3.27Å
123	K	95.9	Very high	93.6	Very high	153 Å²	153	60.8 Å²	60.8	67%	0.665	30%	0.304	S	S	*	.	H	α-helix	trans	-61.3	-49.6	174.9	-175.8	-174.3	174.2	-171.9	0	111.6	G119 E120 E125 A126 E127	G119-K123 PolarHBondContact O-N 3.4Å; G119-K123 VanDerWaalsContact O-N 3.12Å; E120-K123 PolarHBondContact O-N 2.99Å; K123-E125 VanDerWaalsContact C-N 3.29Å; K123-E125 PolarHBondContact O-N 3.33Å; K123-A126 PolarHBondContact O-N 3.24Å; K123-E127 PolarHBondContact O-N 3.11Å
124	L	95.9	Very high	93.7	Very high	14 Å²	14	62.5 Å²	62.5	7%	0.073	31%	0.309	C	S	.	.	H	α-helix	trans	-65.7	-32.4	179	-71.9	165.6	0	0	0	112.3	E42 W43 E120 R128	E42-L124 HydrophobicContact CB-CD1 3.93Å; E42-L124 HydrophobicContact CB-CD2 3.98Å; W43-L124 HydrophobicContact CB-CB 4.04Å; W43-L124 HydrophobicContact CB-CD1 4.49Å; E120-L124 WeakPolarHBondContact O-CB 3.33Å; E120-L124 WeakPolarHBondContact O-CG 3.46Å; E120-L124 PolarHBondContact O-N 3.43Å; L124-R128 WeakPolarHBondContact O-CB 3.32Å; L124-R128 PolarHBondContact O-N 3.05Å
125	E	93.9	Very high	94	Very high	72 Å²	72	61.8 Å²	61.8	34%	0.336	31%	0.306	S	S	.	.	H	α-helix	trans	-66.2	-41.5	174.6	-177.4	159.3	-151.2	0	0	111.7	R121 L122 K123 R128 F129	R121-E125 IonicContact NH1-OE2 3.68Å; R121-E125 PolarHBondContact NH1-OE2 3.17Å; R121-E125 VanDerWaalsContact O-CB 3.26Å; R121-E125 WeakPolarHBondContact O-CB 3.36Å; R121-E125 PolarHBondContact O-N 3.1Å; L122-E125 PolarHBondContact O-N 3.39Å; K123-E125 VanDerWaalsContact C-N 3.29Å; K123-E125 PolarHBondContact O-N 3.33Å; E125-R128 IonicContact OE1-NH2 3.11Å; E125-F129 VanDerWaalsContact O-CB 3.26Å; E125-F129 WeakPolarHBondContact O-CB 3.19Å; E125-F129 PolarHBondContact O-N 2.89Å; E125-F129 VanDerWaalsContact O-N 3.1Å
126	A	93.8	Very high	94.1	Very high	56 Å²	56	54.9 Å²	54.9	46%	0.463	27%	0.274	S	S	.	.	H	α-helix	trans	-65.2	-48.8	173.4	0	0	0	0	0	111.6	L122 K123 R128 F129 E130	L122-A126 PolarHBondContact O-N 3.27Å; K123-A126 PolarHBondContact O-N 3.24Å; A126-R128 PolarHBondContact O-N 2.99Å; A126-F129 WeakPolarHBondContact O-CB 3.34Å; A126-F129 PolarHBondContact O-N 3.47Å; A126-F129 VanDerWaalsContact O-N 3.08Å; A126-E130 WeakPolarHBondContact O-CG 3.5Å; A126-E130 PolarHBondContact O-N 3.02Å
127	E	95.6	Very high	94.4	Very high	81 Å²	81	48.3 Å²	48.3	38%	0.379	25%	0.245	S	C	.	.	H	α-helix	trans	-58.2	-47.8	177.9	-176.4	179.6	158.8	0	0	112.1	A39 K123 F129 E130 N131	A39-E127 HydrophobicContact CB-CG 4.37Å; K123-E127 PolarHBondContact O-N 3.11Å; E127-F129 PolarHBondContact O-N 2.62Å; E127-E130 PolarHBondContact O-N 3.19Å; E127-N131 PolarHBondContact O-N 3.18Å; E127-N131 PolarHBondContact O-ND2 3.4Å
128	R	96	Very high	94.7	Very high	15 Å²	15	50.6 Å²	50.6	6%	0.057	26%	0.257	C	S	.	.	H	α-helix	trans	-57.7	-38.8	175.2	-176.5	-177.7	64.1	-165.2	-9.1	111.6	L5 L36 A39 D40 W43 L124 E125 A126 L132	L5-R128 HydrophobicContact CD2-CG 4.3Å; L36-R128 HydrophobicContact CD2-CG 4.47Å; L36-R128 HydrophobicContact CG-CG 4.14Å; A39-R128 HydrophobicContact CB-CB 4.06Å; D40-R128 HydrophobicContact CB-CG 4.43Å; D40-R128 WeakPolarHBondContact OD1-CD 3.49Å; D40-R128 IonicContact OD1-CZ 3.81Å; D40-R128 IonicContact OD1-NE 3.79Å; D40-R128 IonicContact OD1-NH1 2.79Å; D40-R128 PolarHBondContact OD1-NH1 2.74Å; W43-R128 VanDerWaalsContact CE3-NH1 3.32Å; L124-R128 WeakPolarHBondContact O-CB 3.32Å; L124-R128 PolarHBondContact O-N 3.05Å; E125-R128 IonicContact OE1-NH2 3.11Å; A126-R128 PolarHBondContact O-N 2.99Å; R128-L132 VanDerWaalsContact O-CB 3.29Å; R128-L132 WeakPolarHBondContact O-CB 3.13Å; R128-L132 PolarHBondContact O-N 3.26Å
129	F	93.3	Very high	95	Very high	73 Å²	73	48.9 Å²	48.9	32%	0.32	25%	0.247	S	C	.	.	H	α-helix	trans	-74.8	-37.3	-177.1	-175.7	-99.1	0	0	0	113.5	E125 A126 E127 N131 L132 R133 R405	E125-F129 VanDerWaalsContact O-CB 3.26Å; E125-F129 WeakPolarHBondContact O-CB 3.19Å; E125-F129 PolarHBondContact O-N 2.89Å; E125-F129 VanDerWaalsContact O-N 3.1Å; A126-F129 WeakPolarHBondContact O-CB 3.34Å; A126-F129 PolarHBondContact O-N 3.47Å; A126-F129 VanDerWaalsContact O-N 3.08Å; E127-F129 PolarHBondContact O-N 2.62Å; F129-N131 VanDerWaalsContact C-N 3.32Å; F129-L132 PolarHBondContact O-N 2.95Å; F129-R133 WeakPolarHBondContact O-CB 3.19Å; F129-R133 PolarHBondContact O-N 3.45Å; F129-R405 VanDerWaalsContact CE2-NH1 3.34Å
130	E	92.5	Very high	95.3	Very high	88 Å²	88	49.2 Å²	49.2	41%	0.411	24%	0.238	S	C	.	.	H	α-helix	trans	-59	-46	173.7	-70.3	-60.5	121.1	0	0	110.5	A126 E127 R133	A126-E130 WeakPolarHBondContact O-CG 3.5Å; A126-E130 PolarHBondContact O-N 3.02Å; E127-E130 PolarHBondContact O-N 3.19Å; E130-R133 VanDerWaalsContact CD-NH1 3.26Å; E130-R133 PolarHBondContact O-N 2.99Å; E130-R133 IonicContact OE1-CZ 3.08Å; E130-R133 IonicContact OE1-NH1 3.28Å; E130-R133 PolarHBondContact OE1-NH1 3.39Å; E130-R133 IonicContact OE1-NH2 2.62Å; E130-R133 IonicContact OE2-CZ 3.44Å; E130-R133 VanDerWaalsContact OE2-CZ 3.23Å; E130-R133 IonicContact OE2-NH1 3.48Å; E130-R133 PolarHBondContact OE2-NH1 3.05Å; E130-R133 IonicContact OE2-NH2 3.89Å; E130-R133 PolarHBondContact OE2-NH2 2.82Å
131	N	95.2	Very high	95.5	Very high	16 Å²	16	51.5 Å²	51.5	9%	0.086	26%	0.259	C	S	.	.	H	α-helix	trans	-62.7	-48	174.2	-65.5	-34.9	0	0	0	111.8	Q35 L36 E127 F129 R133 E134 I135	Q35-N131 PolarHBondContact OE1-OD1 3.01Å; L36-N131 HydrophobicContact CB-CB 4.04Å; E127-N131 PolarHBondContact O-N 3.18Å; E127-N131 PolarHBondContact O-ND2 3.4Å; F129-N131 VanDerWaalsContact C-N 3.32Å; N131-R133 PolarHBondContact O-N 3.17Å; N131-E134 PolarHBondContact O-N 3.46Å; N131-I135 WeakPolarHBondContact O-CG1 3.45Å
132	L	94.9	Very high	95.7	Very high	7 Å²	7	51.2 Å²	51.2	4%	0.037	27%	0.266	C	S	.	.	H	α-helix	trans	-62.4	-30.4	-177.2	-177.6	61.8	0	0	0	113.1	V2 L3 L5 F8 L36 R128 F129 E134 I135	V2-L132 HydrophobicContact CB-CD1 4.38Å; V2-L132 HydrophobicContact CB-CD2 3.79Å; V2-L132 HydrophobicContact CB-CG 3.78Å; V2-L132 HydrophobicContact CG1-CD2 3.87Å; V2-L132 HydrophobicContact CG1-CG 3.73Å; V2-L132 HydrophobicContact CG2-CD2 4.21Å; L3-L132 HydrophobicContact CB-CD1 4.26Å; L5-L132 HydrophobicContact CD2-CD2 3.87Å; L5-L132 HydrophobicContact CG-CD2 4.19Å; F8-L132 HydrophobicContact CE2-CD1 3.72Å; F8-L132 HydrophobicContact CZ-CD1 3.89Å; L36-L132 HydrophobicContact CD1-CB 3.62Å; L36-L132 HydrophobicContact CD1-CD1 3.68Å; L36-L132 HydrophobicContact CD1-CG 4.18Å; R128-L132 VanDerWaalsContact O-CB 3.29Å; R128-L132 WeakPolarHBondContact O-CB 3.13Å; R128-L132 PolarHBondContact O-N 3.26Å; F129-L132 PolarHBondContact O-N 2.95Å; L132-E134 VanDerWaalsContact C-N 3.32Å; L132-E134 PolarHBondContact O-N 2.92Å; L132-I135 PolarHBondContact O-N 3.47Å
133	R	91.6	Very high	96	Very high	36 Å²	36	46.8 Å²	46.8	14%	0.136	24%	0.243	C	C	.	.	H	α-helix	trans	-69	-30.8	-178.4	-172	-175.4	63.3	-134.9	-18.5	112.8	F129 E130 N131 L240 H371	F129-R133 WeakPolarHBondContact O-CB 3.19Å; F129-R133 PolarHBondContact O-N 3.45Å; E130-R133 VanDerWaalsContact CD-NH1 3.26Å; E130-R133 PolarHBondContact O-N 2.99Å; E130-R133 IonicContact OE1-CZ 3.08Å; E130-R133 IonicContact OE1-NH1 3.28Å; E130-R133 PolarHBondContact OE1-NH1 3.39Å; E130-R133 IonicContact OE1-NH2 2.62Å; E130-R133 IonicContact OE2-CZ 3.44Å; E130-R133 VanDerWaalsContact OE2-CZ 3.23Å; E130-R133 IonicContact OE2-NH1 3.48Å; E130-R133 PolarHBondContact OE2-NH1 3.05Å; E130-R133 IonicContact OE2-NH2 3.89Å; E130-R133 PolarHBondContact OE2-NH2 2.82Å; N131-R133 PolarHBondContact O-N 3.17Å; R133-L240 VanDerWaalsContact CZ-CG 3.4Å; R133-L240 VanDerWaalsContact NE-CG 3.32Å; R133-H371 PolarHBondContact O-ND1 3.41Å
134	E	93.9	Very high	96.1	Very high	53 Å²	53	40.7 Å²	40.7	25%	0.248	22%	0.219	C	C	.	.	H	α-helix	trans	-89.9	-6.3	-179.1	-55.6	-48.9	130.3	0	0	112.9	L32 N131 L132 G136 H371	L32-E134 HydrophobicContact CD1-CB 3.92Å; N131-E134 PolarHBondContact O-N 3.46Å; L132-E134 VanDerWaalsContact C-N 3.32Å; L132-E134 PolarHBondContact O-N 2.92Å; E134-G136 PolarHBondContact O-N 3.48Å; E134-H371 PolarHBondContact O-CE1 3.17Å; E134-H371 IonicContact OE2-CE1 3.2Å; E134-H371 PolarHBondContact OE2-CE1 2.89Å
135	I	96.8	Very high	96.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	-88	105.4	176.4	-62.8	168.5	0	0	0	109.8	L3 F8 I19 Q23 L32 V33 L36 N131 L132 Y401	L3-I135 HydrophobicContact CD1-CG2 3.95Å; F8-I135 HydrophobicContact CE1-CD1 3.85Å; F8-I135 HydrophobicContact CZ-CD1 4.08Å; F8-I135 HydrophobicContact CZ-CG2 4.13Å; I19-I135 HydrophobicContact CG2-CG2 3.82Å; Q23-I135 HydrophobicContact CG-CG2 4.27Å; L32-I135 HydrophobicContact CB-CD1 4.16Å; L32-I135 HydrophobicContact CB-CG1 4.05Å; V33-I135 HydrophobicContact CG2-CD1 4.2Å; L36-I135 HydrophobicContact CD1-CD1 3.72Å; N131-I135 WeakPolarHBondContact O-CG1 3.45Å; L132-I135 PolarHBondContact O-N 3.47Å; I135-Y401 PolarHBondContact O-OH 3.45Å
136	G	97	Very high	96.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-62.2	163.9	176.8	0	0	0	0	0	115.4	E134 H371	E134-G136 PolarHBondContact O-N 3.48Å; G136-H371 CarbonylContact C-O 3.44Å; G136-H371 WeakPolarHBondContact CA-O 3.28Å
137	N	98.3	Very high	96.6	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.016	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-61.5	161.4	-177.9	-162.3	4.1	0	0	0	112.8	R26 H371 A372 C398 T399 Y401	R26-N137 VanDerWaalsContact CZ-O 3.29Å; R26-N137 PolarHBondContact NE-O 2.61Å; R26-N137 PolarHBondContact NH2-O 3.27Å; N137-H371 WeakPolarHBondContact CB-O 3.4Å; N137-H371 PolarHBondContact N-O 2.74Å; N137-A372 WeakPolarHBondContact CB-O 3.25Å; N137-A372 PolarHBondContact ND2-O 2.67Å; N137-C398 PolarHBondContact ND2-O 2.86Å; N137-C398 VanDerWaalsContact ND2-O 3.09Å; N137-T399 PolarHBondContact ND2-OG1 3.4Å; N137-T399 PolarHBondContact OD1-OG1 2.92Å; N137-Y401 HydrophobicContact CB-CD2 3.76Å; N137-Y401 HydrophobicContact CB-CE2 4.31Å; N137-Y401 HydrophobicContact CB-CG 4.08Å
138	L	98.1	Very high	96.6	Very high	53 Å²	53	43 Å²	43	28%	0.277	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-62.9	137.5	171.4	-62.3	179.4	0	0	0	110.4	L3 T22 S374	L3-L138 HydrophobicContact CD2-CG 4.32Å; T22-L138 HydrophobicContact CG2-CD2 4.4Å; L138-S374 WeakPolarHBondContact O-CA 3.31Å; L138-S374 WeakPolarHBondContact O-CB 3.26Å; L138-S374 PolarHBondContact O-OG 2.84Å
139	L	98.6	Very high	96.5	Very high	28 Å²	28	46.4 Å²	46.4	15%	0.147	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-81	141.1	-179.4	-68.2	171.6	0	0	0	111.1	T22 K25 R26 V143 I145 L369	T22-L139 HydrophobicContact CG2-CD1 4.37Å; T22-L139 HydrophobicContact CG2-CG 4.07Å; K25-L139 HydrophobicContact CB-CD1 3.66Å; K25-L139 HydrophobicContact CD-CD1 4.41Å; R26-L139 HydrophobicContact CG-CD1 4.03Å; R26-L139 HydrophobicContact CG-CD2 4.2Å; R26-L139 HydrophobicContact CG-CG 4.28Å; R26-L139 VanDerWaalsContact CZ-CD2 3.48Å; L139-V143 HydrophobicContact CD2-CG1 4.27Å; L139-V143 HydrophobicContact CD2-CG2 4.48Å; L139-I145 HydrophobicContact CD1-CD1 4.08Å; L139-L369 HydrophobicContact CD2-CD1 3.61Å
140	H	98.7	Very high	96.4	Very high	49 Å²	49	51 Å²	51	23%	0.227	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-66	142	166	-174.6	-97.7	0	0	0	109.9	S142 V143 W338 S374 K375	H140-S142 PolarHBondContact CE1-OG 3.21Å; H140-S142 VanDerWaalsContact ND1-CB 3.33Å; H140-S142 WeakPolarHBondContact ND1-CB 3.46Å; H140-S142 PolarHBondContact ND1-N 2.74Å; H140-S142 VanDerWaalsContact ND1-N 3.19Å; H140-S142 PolarHBondContact ND1-OG 3.31Å; H140-S142 PolarHBondContact O-N 2.92Å; H140-V143 HydrophobicContact CB-CG2 4.16Å; H140-V143 WeakPolarHBondContact O-CG2 3.42Å; H140-V143 PolarHBondContact O-N 2.87Å; H140-W338 HydrophobicContact CB-CH2 3.66Å; H140-W338 HydrophobicContact CB-CZ2 4.09Å; H140-W338 HydrophobicContact CB-CZ3 4.21Å; H140-W338 AromaticContact CD2-CD2 3.93Å; H140-W338 AromaticContact CD2-CE2 3.72Å; H140-W338 AromaticContact CD2-CH2 3.78Å; H140-W338 AromaticContact CD2-CZ2 3.65Å; H140-W338 AromaticContact CD2-CZ3 3.97Å; H140-W338 AromaticContact CG-CH2 3.94Å; H140-S374 PolarHBondContact N-O 3.28Å; H140-S374 PolarHBondContact N-OG 3.07Å; H140-K375 HydrophobicContact CB-CB 3.88Å; H140-K375 HydrophobicContact CB-CD 4.34Å; H140-K375 HydrophobicContact CB-CG 4.46Å
141	P	98.3	Very high	96.3	Very high	128 Å²	128	50 Å²	50	83%	0.831	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-20.8	-177.1	-28	36	0	0	0	115.4
142	S	98.3	Very high	96.4	Very high	49 Å²	49	53.2 Å²	53.2	34%	0.343	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	0.9	-179.9	83.6	0	0	0	0	114.6	H140 N363 K375	H140-S142 PolarHBondContact CE1-OG 3.21Å; H140-S142 VanDerWaalsContact ND1-CB 3.33Å; H140-S142 WeakPolarHBondContact ND1-CB 3.46Å; H140-S142 PolarHBondContact ND1-N 2.74Å; H140-S142 VanDerWaalsContact ND1-N 3.19Å; H140-S142 PolarHBondContact ND1-OG 3.31Å; H140-S142 PolarHBondContact O-N 2.92Å; S142-N363 PolarHBondContact O-ND2 2.78Å; S142-K375 WeakPolarHBondContact OG-CE 3.19Å; S142-K375 PolarHBondContact OG-NZ 2.96Å
143	V	98.7	Very high	96.4	Very high	8 Å²	8	54.2 Å²	54.2	5%	0.048	30%	0.303	C	S	.	.	S	Bend	trans	-72.5	129.8	179.5	173.2	0	0	0	0	108.8	L139 H140 I145 L369 S374 K375	L139-V143 HydrophobicContact CD2-CG1 4.27Å; L139-V143 HydrophobicContact CD2-CG2 4.48Å; H140-V143 HydrophobicContact CB-CG2 4.16Å; H140-V143 WeakPolarHBondContact O-CG2 3.42Å; H140-V143 PolarHBondContact O-N 2.87Å; V143-I145 PolarHBondContact O-N 3.37Å; V143-L369 HydrophobicContact CG1-CD1 3.87Å; V143-L369 HydrophobicContact CG2-CD1 4.18Å; V143-S374 WeakPolarHBondContact CG2-O 3.4Å; V143-K375 HydrophobicContact CG2-CB 4.04Å; V143-K375 HydrophobicContact CG2-CG 4Å
144	P	98.3	Very high	96.7	Very high	26 Å²	26	57.8 Å²	57.8	17%	0.169	32%	0.319	C	S	.	.			trans	-67.9	130.3	174.5	22.6	-24.1	0	0	0	110.2	S146 K154 N363 V365 S366	P144-S146 PolarHBondContact O-N 2.86Å; P144-K154 HydrophobicContact CG-CB 4.42Å; P144-N363 WeakPolarHBondContact CD-OD1 3.4Å; P144-N363 WeakPolarHBondContact CG-O 3.26Å; P144-V365 HydrophobicContact CB-CG1 4.18Å; P144-V365 HydrophobicContact CG-CG1 3.99Å; P144-V365 CarbonylContact O-C 3.57Å; P144-V365 WeakPolarHBondContact O-CA 3.18Å; P144-S366 PolarHBondContact O-N 2.82Å; P144-S366 PolarHBondContact O-OG 2.84Å
145	I	98.6	Very high	97	Very high	85 Å²	85	58.4 Å²	58.4	44%	0.436	33%	0.327	S	S	.	.			trans	-90.3	96.5	-177.6	-52.4	-53.3	0	0	0	109.3	K25 F27 L139 V143 S366	K25-I145 HydrophobicContact CB-CD1 4.1Å; K25-I145 HydrophobicContact CB-CG2 4.27Å; K25-I145 HydrophobicContact CD-CD1 4.19Å; K25-I145 HydrophobicContact CG-CD1 4.1Å; K25-I145 HydrophobicContact CG-CG1 4.4Å; K25-I145 HydrophobicContact CG-CG2 4.12Å; F27-I145 HydrophobicContact CE2-CG2 4.39Å; L139-I145 HydrophobicContact CD1-CD1 4.08Å; V143-I145 PolarHBondContact O-N 3.37Å; I145-S366 WeakPolarHBondContact CA-OG 3.4Å
146	S	98.3	Very high	97	Very high	13 Å²	13	61.8 Å²	61.8	9%	0.091	34%	0.342	C	S	.	.			trans	-158.5	167	175.6	-175.1	0	0	0	0	111.2	F27 P144 D148 D152 V365 S366 G367	F27-S146 VanDerWaalsContact CE2-O 3.32Å; F27-S146 WeakPolarHBondContact CE2-O 3.48Å; P144-S146 PolarHBondContact O-N 2.86Å; S146-D148 PolarHBondContact OG-N 3.19Å; S146-D148 VanDerWaalsContact OG-N 3.14Å; S146-D152 VanDerWaalsContact CB-CB 3.44Å; S146-D152 VanDerWaalsContact CB-OD2 3.26Å; S146-D152 WeakPolarHBondContact CB-OD2 3.49Å; S146-D152 WeakPolarHBondContact OG-CB 3.47Å; S146-D152 PolarHBondContact OG-OD2 3.32Å; S146-V365 WeakPolarHBondContact O-CB 3.33Å; S146-S366 PolarHBondContact N-OG 3.46Å; S146-G367 PolarHBondContact O-N 3.31Å
147	N	97.2	Very high	97.1	Very high	97 Å²	97	66 Å²	66	52%	0.519	36%	0.358	S	S	.	.	S	Bend	trans	-114.2	4.5	173.1	-159	47.5	0	0	0	112.5	F27	F27-N147 HydrophobicContact CB-CB 4.4Å; F27-N147 HydrophobicContact CD1-CB 3.85Å; F27-N147 HydrophobicContact CD2-CB 3.8Å; F27-N147 HydrophobicContact CE1-CB 4Å; F27-N147 HydrophobicContact CE2-CB 4Å; F27-N147 HydrophobicContact CG-CB 3.75Å; F27-N147 HydrophobicContact CZ-CB 4.08Å
148	D	96.4	Very high	97.1	Very high	76 Å²	76	71.3 Å²	71.3	41%	0.406	39%	0.386	S	S	.	.			trans	-112.4	108.2	178.1	-167.5	-38.1	0	0	0	109.9	S146 D150 A151 D152	S146-D148 PolarHBondContact OG-N 3.19Å; S146-D148 VanDerWaalsContact OG-N 3.14Å; D148-D150 PolarHBondContact OD1-N 2.96Å; D148-A151 HydrophobicContact CB-CB 4.19Å; D148-A151 PolarHBondContact OD1-N 3.24Å; D148-D152 WeakPolarHBondContact O-CB 3.39Å; D148-D152 PolarHBondContact O-N 2.95Å; D148-D152 VanDerWaalsContact O-N 3.13Å
149	E	94.8	Very high	97.2	Very high	87 Å²	87	73 Å²	73	41%	0.407	39%	0.388	S	S	.	.	H	α-helix	trans	-69.8	-38.5	178.5	-72.8	-173.4	-124.9	0	0	112.7	A151 N153 V365 S368	E149-A151 VanDerWaalsContact C-N 3.32Å; E149-A151 PolarHBondContact O-N 3.31Å; E149-N153 WeakPolarHBondContact O-CB 3.32Å; E149-N153 PolarHBondContact O-N 3.43Å; E149-N153 PolarHBondContact O-ND2 3.04Å; E149-V365 HydrophobicContact CG-CG2 3.92Å; E149-S368 WeakPolarHBondContact CG-OG 3.34Å; E149-S368 WeakPolarHBondContact OE1-CB 3.45Å; E149-S368 PolarHBondContact OE1-OG 3.41Å
150	D	89.3	Confident	97.2	Very high	168 Å²	168	73.8 Å²	73.8	90%	0.898	40%	0.404	S	S	*	.	H	α-helix	trans	-71.7	-32.5	-173.7	-69.4	-42.1	0	0	0	111.2	D148	D148-D150 PolarHBondContact OD1-N 2.96Å
151	A	92.1	Very high	97.1	Very high	69 Å²	69	75.4 Å²	75.4	57%	0.57	41%	0.414	S	S	*	.	H	α-helix	trans	-89.7	-42.7	-178.3	0	0	0	0	0	113.9	D148 E149	D148-A151 HydrophobicContact CB-CB 4.19Å; D148-A151 PolarHBondContact OD1-N 3.24Å; E149-A151 VanDerWaalsContact C-N 3.32Å; E149-A151 PolarHBondContact O-N 3.31Å
152	D	95.8	Very high	97.1	Very high	83 Å²	83	70 Å²	70	44%	0.444	38%	0.379	S	S	.	.	H	α-helix	trans	-117.9	-2	-161	-64.2	-44.3	0	0	0	114.7	S146 D148 K154 V365	S146-D152 VanDerWaalsContact CB-CB 3.44Å; S146-D152 VanDerWaalsContact CB-OD2 3.26Å; S146-D152 WeakPolarHBondContact CB-OD2 3.49Å; S146-D152 WeakPolarHBondContact OG-CB 3.47Å; S146-D152 PolarHBondContact OG-OD2 3.32Å; D148-D152 WeakPolarHBondContact O-CB 3.39Å; D148-D152 PolarHBondContact O-N 2.95Å; D148-D152 VanDerWaalsContact O-N 3.13Å; D152-K154 PolarHBondContact O-N 3.47Å; D152-V365 VanDerWaalsContact C-CG1 3.44Å; D152-V365 HydrophobicContact CB-CG1 3.84Å; D152-V365 WeakPolarHBondContact O-CG1 3.26Å
153	N	96.6	Very high	97.1	Very high	28 Å²	28	73 Å²	73	15%	0.15	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-59.7	123.3	167.8	-88.6	-9.1	0	0	0	110	E149 V362 I364 V365	E149-N153 WeakPolarHBondContact O-CB 3.32Å; E149-N153 PolarHBondContact O-N 3.43Å; E149-N153 PolarHBondContact O-ND2 3.04Å; N153-V362 HydrophobicContact CB-CG1 3.45Å; N153-V362 VanDerWaalsContact CB-CG1 3.45Å; N153-I364 WeakPolarHBondContact OD1-CA 3.44Å; N153-V365 WeakPolarHBondContact OD1-CG1 3.47Å; N153-V365 PolarHBondContact OD1-N 3.4Å
154	K	97.9	Very high	97	Very high	110 Å²	110	75.6 Å²	75.6	48%	0.478	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	118.9	-173.3	-175.3	-178.1	173.1	-123.2	0	110.7	P144 D152 E156 V362 N363	P144-K154 HydrophobicContact CG-CB 4.42Å; D152-K154 PolarHBondContact O-N 3.47Å; K154-E156 IonicContact NZ-OE1 2.77Å; K154-E156 PolarHBondContact NZ-OE1 3.41Å; K154-E156 IonicContact NZ-OE2 3.63Å; K154-E156 PolarHBondContact NZ-OE2 3.01Å; K154-E156 PolarHBondContact O-N 3.11Å; K154-V362 WeakPolarHBondContact O-CA 3.48Å; K154-N363 HydrophobicContact CB-CB 4.41Å; K154-N363 PolarHBondContact N-O 3.46Å; K154-N363 VanDerWaalsContact N-O 3.16Å; K154-N363 PolarHBondContact O-N 3.41Å
155	V	98.4	Very high	97	Very high	67 Å²	67	82 Å²	82	41%	0.406	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	117.1	170.4	-177.4	0	0	0	0	109.6	I158 H360 I361	V155-I158 HydrophobicContact CG1-CD1 4.13Å; V155-I158 HydrophobicContact CG1-CG1 3.75Å; V155-H360 HydrophobicContact CG1-CB 4.01Å; V155-I361 CarbonylContact C-O 3.56Å; V155-I361 WeakPolarHBondContact CA-O 3.48Å
156	E	98.3	Very high	97	Very high	70 Å²	70	81.4 Å²	81.4	33%	0.327	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-38.8	-180	-60.8	-67.9	-179.7	0	0	111.7	K154 I361 N363 L377	K154-E156 IonicContact NZ-OE1 2.77Å; K154-E156 PolarHBondContact NZ-OE1 3.41Å; K154-E156 IonicContact NZ-OE2 3.63Å; K154-E156 PolarHBondContact NZ-OE2 3.01Å; K154-E156 PolarHBondContact O-N 3.11Å; E156-I361 HydrophobicContact CB-CG2 4.42Å; E156-I361 PolarHBondContact N-O 2.88Å; E156-N363 HydrophobicContact CG-CB 3.79Å; E156-N363 VanDerWaalsContact OE1-CB 3.32Å; E156-N363 WeakPolarHBondContact OE1-CB 3.4Å; E156-N363 PolarHBondContact OE1-ND2 2.66Å; E156-L377 HydrophobicContact CG-CD2 4.35Å
157	R	98.6	Very high	97	Very high	88 Å²	88	88.1 Å²	88.1	33%	0.332	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	151.1	-175.1	-66.7	174	-82	-177.6	2.3	111	E349 H360 I361	R157-E349 VanDerWaalsContact CZ-CD 3.42Å; R157-E349 IonicContact CZ-OE1 3.52Å; R157-E349 IonicContact CZ-OE2 3.33Å; R157-E349 VanDerWaalsContact CZ-OE2 3.28Å; R157-E349 IonicContact NE-OE1 2.72Å; R157-E349 IonicContact NE-OE2 2.62Å; R157-E349 PolarHBondContact NE-OE2 3.41Å; R157-E349 VanDerWaalsContact NH1-CD 3.3Å; R157-E349 IonicContact NH1-OE1 3.61Å; R157-E349 PolarHBondContact NH1-OE1 3.35Å; R157-E349 IonicContact NH1-OE2 3.62Å; R157-E349 PolarHBondContact NH1-OE2 2.72Å; R157-E349 IonicContact NH2-OE1 3.36Å; R157-E349 PolarHBondContact NH2-OE1 3.36Å; R157-E349 IonicContact NH2-OE2 3.18Å; R157-H360 CarbonylContact O-C 3.59Å; R157-H360 WeakPolarHBondContact O-CA 3.38Å; R157-H360 WeakPolarHBondContact O-CB 3.46Å; R157-I361 HydrophobicContact CB-CB 4.08Å; R157-I361 HydrophobicContact CB-CG1 4.03Å; R157-I361 PolarHBondContact O-N 3Å
158	I	98.8	Very high	97	Very high	116 Å²	116	84.9 Å²	84.9	60%	0.595	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.1	137.7	174	-55.7	177.3	0	0	0	108.2	V155 H360	V155-I158 HydrophobicContact CG1-CD1 4.13Å; V155-I158 HydrophobicContact CG1-CG1 3.75Å; I158-H360 HydrophobicContact CG1-CB 3.93Å
159	W	98.8	Very high	97.1	Very high	87 Å²	87	82.6 Å²	82.6	33%	0.33	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	137.8	176.5	-174.2	91.7	0	0	0	111.8	Q353 I357 P358 Y359	W159-Q353 HydrophobicContact CD2-CB 4.47Å; W159-Q353 HydrophobicContact CD2-CG 3.66Å; W159-Q353 HydrophobicContact CE3-CG 4.18Å; W159-Q353 HydrophobicContact CG-CG 3.94Å; W159-Q353 HydrophobicContact CH2-CB 4.25Å; W159-Q353 HydrophobicContact CH2-CG 4.44Å; W159-Q353 HydrophobicContact CZ2-CB 3.9Å; W159-Q353 HydrophobicContact CZ2-CG 3.94Å; W159-I357 VanDerWaalsContact CZ3-O 3.26Å; W159-I357 WeakPolarHBondContact CZ3-O 3.32Å; W159-P358 CarbonylContact O-C 3.59Å; W159-P358 VanDerWaalsContact O-CA 3.3Å; W159-P358 WeakPolarHBondContact O-CA 3.42Å; W159-Y359 HydrophobicContact CB-CD1 4.38Å; W159-Y359 HydrophobicContact CB-CD2 4.42Å; W159-Y359 HydrophobicContact CB-CE1 3.93Å; W159-Y359 HydrophobicContact CB-CE2 3.94Å; W159-Y359 HydrophobicContact CD2-CE1 4.22Å; W159-Y359 HydrophobicContact CE3-CD1 4.19Å; W159-Y359 AromaticContact CE3-CE1 3.96Å; W159-Y359 HydrophobicContact CE3-CE1 3.96Å; W159-Y359 HydrophobicContact CG-CE1 4.21Å; W159-Y359 PolarHBondContact N-O 3.06Å; W159-Y359 PolarHBondContact O-N 2.82Å
160	G	98.3	Very high	97.2	Very high	46 Å²	46	79 Å²	79	47%	0.474	41%	0.408	S	S	.	.	S	Bend	trans	76.4	-175.9	-179.4	0	0	0	0	0	114	C162	G160-C162 PolarHBondContact O-N 3.2Å
161	D	97.9	Very high	97.6	Very high	82 Å²	82	72 Å²	72	44%	0.439	37%	0.371	S	S	.	.			trans	-87.7	105.7	176.5	-171.7	-25	0	0	0	110.5	T163 V164 P358	D161-T163 WeakPolarHBondContact OD1-CA 3.33Å; D161-T163 PolarHBondContact OD1-N 3.16Å; D161-T163 PolarHBondContact OD1-OG1 2.82Å; D161-V164 HydrophobicContact CB-CG2 4.4Å; D161-V164 PolarHBondContact OD1-N 3.35Å; D161-V164 VanDerWaalsContact OD1-N 3.15Å; D161-V164 WeakPolarHBondContact OD2-CG2 3.36Å; D161-P358 WeakPolarHBondContact O-CB 3.46Å; D161-P358 WeakPolarHBondContact O-CG 3.32Å
162	C	98	Very high	97.9	Very high	16 Å²	16	69.1 Å²	69.1	11%	0.108	35%	0.346	C	S	.	.	S	Bend	trans	-97.4	22.3	179.6	-58.4	0	0	0	0	113.1	G160 W382 F389	G160-C162 PolarHBondContact O-N 3.2Å; C162-W382 HydrophobicContact CB-CB 4.03Å; C162-W382 HydrophobicContact CB-CD2 4.26Å; C162-W382 HydrophobicContact CB-CG 4.04Å; C162-W382 WeakPolarHBondContact O-CZ2 3.16Å; C162-F389 HydrophobicContact CB-CE1 3.81Å; C162-F389 HydrophobicContact CB-CZ 3.45Å; C162-F389 VanDerWaalsContact CB-CZ 3.45Å
163	T	97.6	Very high	98	Very high	111 Å²	111	65.1 Å²	65.1	68%	0.681	33%	0.325	S	S	*	.	S	Bend	trans	-120.9	-25.1	-178.8	67.9	0	0	0	0	112.8	D161 R165	D161-T163 WeakPolarHBondContact OD1-CA 3.33Å; D161-T163 PolarHBondContact OD1-N 3.16Å; D161-T163 PolarHBondContact OD1-OG1 2.82Å; T163-R165 PolarHBondContact O-N 2.64Å
164	V	97.8	Very high	98.1	Very high	63 Å²	63	63.8 Å²	63.8	38%	0.382	32%	0.318	S	S	.	.			trans	-56.1	133.1	177.9	163.5	0	0	0	0	111.1	D161 K166 W382 P384	D161-V164 HydrophobicContact CB-CG2 4.4Å; D161-V164 PolarHBondContact OD1-N 3.35Å; D161-V164 VanDerWaalsContact OD1-N 3.15Å; D161-V164 WeakPolarHBondContact OD2-CG2 3.36Å; V164-K166 HydrophobicContact CG1-CG 4.33Å; V164-W382 PolarHBondContact O-NE1 3Å; V164-P384 WeakPolarHBondContact O-CB 3.49Å
165	R	98.4	Very high	98.1	Very high	161 Å²	161	60.4 Å²	60.4	61%	0.608	31%	0.306	S	S	*	.			trans	-105.9	146	173.5	-63.1	-66.4	-64.8	-98.9	-1.1	110.3	T163 P384	T163-R165 PolarHBondContact O-N 2.64Å; R165-P384 VanDerWaalsContact CA-O 3.31Å; R165-P384 WeakPolarHBondContact CA-O 3.48Å; R165-P384 PolarHBondContact NE-O 2.55Å
166	K	98.1	Very high	98.1	Very high	72 Å²	72	57.6 Å²	57.6	31%	0.313	29%	0.289	S	S	.	.			trans	-128.5	167.3	176	-70.2	-171.5	173.3	-162.6	0	111	V164 P384 E466 N467 Q469	V164-K166 HydrophobicContact CG1-CG 4.33Å; K166-P384 HydrophobicContact CB-CB 4.04Å; K166-P384 HydrophobicContact CB-CG 4.23Å; K166-P384 HydrophobicContact CD-CB 4.34Å; K166-P384 HydrophobicContact CD-CG 4Å; K166-P384 HydrophobicContact CG-CB 3.94Å; K166-P384 HydrophobicContact CG-CG 4.13Å; K166-P384 PolarHBondContact N-O 3.41Å; K166-E466 VanDerWaalsContact CD-O 3.26Å; K166-E466 WeakPolarHBondContact CD-O 3.43Å; K166-N467 PolarHBondContact NZ-O 3.33Å; K166-Q469 HydrophobicContact CB-CG 4.15Å; K166-Q469 HydrophobicContact CD-CG 3.83Å
167	K	97.1	Very high	98.1	Very high	154 Å²	154	54.5 Å²	54.5	67%	0.67	27%	0.274	S	S	*	.	S	Bend	trans	-70	-52.5	-163.9	-173.3	175.7	-179.8	-165.9	0	113.5
168	Y	98.1	Very high	98.1	Very high	28 Å²	28	52.7 Å²	52.7	11%	0.11	27%	0.272	C	S	.	.			trans	-109.9	145.6	-171.3	-61.7	-68.9	0	0	0	111.8	D172 L173 M176 G385 Q469 A498 I500 D501	Y168-D172 HydrophobicContact CD1-CB 4.37Å; Y168-L173 HydrophobicContact CD2-CD2 4.31Å; Y168-L173 HydrophobicContact CG-CD2 4.36Å; Y168-M176 HydrophobicContact CD1-SD 4.3Å; Y168-M176 HydrophobicContact CD2-CE 3.95Å; Y168-M176 HydrophobicContact CD2-SD 4.06Å; Y168-M176 HydrophobicContact CE2-CE 3.73Å; Y168-M176 HydrophobicContact CE2-SD 4.27Å; Y168-M176 HydrophobicContact CG-SD 4.07Å; Y168-G385 WeakPolarHBondContact O-CA 3.24Å; Y168-Q469 PolarHBondContact O-NE2 3.46Å; Y168-A498 HydrophobicContact CD1-CB 3.96Å; Y168-A498 HydrophobicContact CE1-CB 3.37Å; Y168-I500 HydrophobicContact CD1-CG2 4.06Å; Y168-I500 HydrophobicContact CE1-CG2 3.95Å; Y168-D501 WeakPolarHBondContact CE1-OD2 3.5Å; Y168-D501 PolarHBondContact OH-OD2 3.16Å
169	S	97.9	Very high	98.1	Very high	28 Å²	28	47.2 Å²	47.2	20%	0.196	24%	0.243	C	C	.	.			trans	-79.5	160.8	171	73.3	0	0	0	0	111.1	V171 D172 L173 E466	S169-V171 PolarHBondContact O-N 3.28Å; S169-V171 PolarHBondContact OG-N 2.82Å; S169-D172 PolarHBondContact O-N 3.21Å; S169-D172 VanDerWaalsContact O-N 3.07Å; S169-D172 PolarHBondContact OG-OD2 3.49Å; S169-L173 VanDerWaalsContact O-CG 3.3Å; S169-L173 WeakPolarHBondContact O-CG 3.5Å; S169-L173 PolarHBondContact O-N 3.01Å; S169-L173 VanDerWaalsContact O-N 3.11Å; S169-E466 WeakPolarHBondContact CA-OE1 3.41Å
170	H	98.3	Very high	98.1	Very high	12 Å²	12	44.6 Å²	44.6	6%	0.056	23%	0.234	C	C	.	.	H	α-helix	trans	-55.6	-28.2	176.2	73	89.8	0	0	0	112.7	D172 L173 V174 C462 E466	H170-D172 PolarHBondContact O-N 3.16Å; H170-L173 PolarHBondContact O-N 3.42Å; H170-V174 WeakPolarHBondContact O-CG1 3.17Å; H170-V174 WeakPolarHBondContact O-CG2 3.36Å; H170-V174 PolarHBondContact O-N 3.3Å; H170-C462 HydrophobicContact CB-CB 3.62Å; H170-C462 PolarHBondContact ND1-SG 2.92Å; H170-E466 HydrophobicContact CB-CG 3.96Å; H170-E466 IonicContact CD2-OE1 3.66Å; H170-E466 PolarHBondContact CD2-OE1 3.01Å; H170-E466 IonicContact CG-OE1 2.97Å; H170-E466 PolarHBondContact N-OE1 2.63Å
171	V	97.1	Very high	98	Very high	21 Å²	21	45 Å²	45	13%	0.127	22%	0.224	C	C	.	.	H	α-helix	trans	-63.6	-40.1	178.7	176.4	0	0	0	0	112	S169 V174 R313	S169-V171 PolarHBondContact O-N 3.28Å; S169-V171 PolarHBondContact OG-N 2.82Å; V171-V174 WeakPolarHBondContact O-CG2 3.45Å; V171-R313 HydrophobicContact CG1-CB 3.73Å; V171-R313 HydrophobicContact CG2-CB 4.09Å
172	D	97.7	Very high	97.9	Very high	8 Å²	8	41.9 Å²	41.9	4%	0.043	21%	0.211	C	C	.	.	H	α-helix	trans	-78	-42.3	177.4	-60.8	-58.9	0	0	0	110.3	Y168 S169 H170 V174 V175 M176 I500	Y168-D172 HydrophobicContact CD1-CB 4.37Å; S169-D172 PolarHBondContact O-N 3.21Å; S169-D172 VanDerWaalsContact O-N 3.07Å; S169-D172 PolarHBondContact OG-OD2 3.49Å; H170-D172 PolarHBondContact O-N 3.16Å; D172-V174 PolarHBondContact O-N 3.11Å; D172-V175 WeakPolarHBondContact O-CB 3.33Å; D172-V175 PolarHBondContact O-N 2.84Å; D172-M176 HydrophobicContact CB-SD 4.34Å; D172-M176 VanDerWaalsContact O-CG 3.32Å; D172-M176 WeakPolarHBondContact O-CG 3.45Å; D172-M176 PolarHBondContact O-N 3.17Å; D172-I500 PolarHBondContact OD1-N 2.96Å
173	L	98.6	Very high	97.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.5	-39.7	-175	-66.1	171.6	0	0	0	112.8	Y168 S169 H170 V175 M176 V177 L465 E466 Q469 I474 F494	Y168-L173 HydrophobicContact CD2-CD2 4.31Å; Y168-L173 HydrophobicContact CG-CD2 4.36Å; S169-L173 VanDerWaalsContact O-CG 3.3Å; S169-L173 WeakPolarHBondContact O-CG 3.5Å; S169-L173 PolarHBondContact O-N 3.01Å; S169-L173 VanDerWaalsContact O-N 3.11Å; H170-L173 PolarHBondContact O-N 3.42Å; L173-V175 PolarHBondContact O-N 3.43Å; L173-M176 HydrophobicContact CD2-SD 4.05Å; L173-M176 PolarHBondContact O-N 2.98Å; L173-V177 WeakPolarHBondContact O-CG2 3.46Å; L173-V177 PolarHBondContact O-N 3.21Å; L173-L465 HydrophobicContact CB-CB 4.09Å; L173-L465 HydrophobicContact CB-CD1 4.35Å; L173-L465 HydrophobicContact CD1-CB 3.97Å; L173-L465 WeakPolarHBondContact CD1-O 3.49Å; L173-E466 HydrophobicContact CD1-CG 4.15Å; L173-Q469 HydrophobicContact CD1-CB 4.23Å; L173-Q469 HydrophobicContact CD2-CB 4.18Å; L173-I474 HydrophobicContact CD1-CD1 4.41Å; L173-I474 HydrophobicContact CD2-CD1 4Å; L173-F494 HydrophobicContact CD2-CE1 3.73Å; L173-F494 HydrophobicContact CD2-CZ 3.63Å
174	V	98.4	Very high	97.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.6	-28	176.1	-66.5	0	0	0	0	112.7	H170 V171 D172 G179 F180 L200 I315 L465	H170-V174 WeakPolarHBondContact O-CG1 3.17Å; H170-V174 WeakPolarHBondContact O-CG2 3.36Å; H170-V174 PolarHBondContact O-N 3.3Å; V171-V174 WeakPolarHBondContact O-CG2 3.45Å; D172-V174 PolarHBondContact O-N 3.11Å; V174-G179 PolarHBondContact O-N 3.18Å; V174-F180 HydrophobicContact CB-CB 3.8Å; V174-F180 HydrophobicContact CB-CG 4.4Å; V174-F180 HydrophobicContact CG2-CB 3.89Å; V174-F180 HydrophobicContact CG2-CD1 3.99Å; V174-F180 HydrophobicContact CG2-CG 3.98Å; V174-F180 PolarHBondContact O-N 3.01Å; V174-L200 HydrophobicContact CB-CD1 4.13Å; V174-L200 HydrophobicContact CG1-CD1 4.01Å; V174-I315 HydrophobicContact CG1-CD1 4.14Å; V174-I315 HydrophobicContact CG1-CG1 4.31Å; V174-L465 HydrophobicContact CB-CD1 4.41Å; V174-L465 HydrophobicContact CG1-CD1 3.37Å
175	V	98.1	Very high	97.7	Very high	39 Å²	39	46.2 Å²	46.2	24%	0.236	22%	0.216	C	C	.	.	H	α-helix	trans	-83.3	-41.4	176	-178.9	0	0	0	0	111.1	D172 L173 V177 D178 F180 P499	D172-V175 WeakPolarHBondContact O-CB 3.33Å; D172-V175 PolarHBondContact O-N 2.84Å; L173-V175 PolarHBondContact O-N 3.43Å; V175-V177 VanDerWaalsContact C-N 3.27Å; V175-V177 PolarHBondContact O-N 2.91Å; V175-D178 WeakPolarHBondContact O-CA 3.41Å; V175-D178 PolarHBondContact O-N 3.19Å; V175-F180 HydrophobicContact CG2-CD1 4.14Å; V175-P499 HydrophobicContact CB-CG 3.75Å; V175-P499 HydrophobicContact CG1-CG 3.74Å; V175-P499 HydrophobicContact CG2-CG 4.03Å
176	M	98.6	Very high	97.5	Very high	8 Å²	8	40.6 Å²	40.6	4%	0.039	20%	0.204	C	C	.	.	H	α-helix	trans	-61.8	-33.2	-177.9	-70	168.9	69	0	0	113.2	Y168 D172 L173 D178 F494 V495 K496 A498	Y168-M176 HydrophobicContact CD1-SD 4.3Å; Y168-M176 HydrophobicContact CD2-CE 3.95Å; Y168-M176 HydrophobicContact CD2-SD 4.06Å; Y168-M176 HydrophobicContact CE2-CE 3.73Å; Y168-M176 HydrophobicContact CE2-SD 4.27Å; Y168-M176 HydrophobicContact CG-SD 4.07Å; D172-M176 HydrophobicContact CB-SD 4.34Å; D172-M176 VanDerWaalsContact O-CG 3.32Å; D172-M176 WeakPolarHBondContact O-CG 3.45Å; D172-M176 PolarHBondContact O-N 3.17Å; L173-M176 HydrophobicContact CD2-SD 4.05Å; L173-M176 PolarHBondContact O-N 2.98Å; M176-D178 VanDerWaalsContact C-N 3.26Å; M176-F494 HydrophobicContact CB-CD1 3.53Å; M176-F494 HydrophobicContact CB-CE1 3.93Å; M176-F494 HydrophobicContact CB-CG 4.23Å; M176-F494 HydrophobicContact CE-CD1 3.89Å; M176-F494 HydrophobicContact CE-CD2 3.72Å; M176-F494 HydrophobicContact CE-CE1 3.85Å; M176-F494 HydrophobicContact CE-CE2 3.65Å; M176-F494 HydrophobicContact CE-CG 3.84Å; M176-F494 HydrophobicContact CE-CZ 3.73Å; M176-F494 HydrophobicContact SD-CE1 4.43Å; M176-V495 PolarHBondContact O-N 3.34Å; M176-K496 PolarHBondContact O-N 3.02Å; M176-A498 HydrophobicContact CE-CB 4.12Å; M176-A498 HydrophobicContact CG-CB 4.02Å; M176-A498 HydrophobicContact SD-CB 3.53Å; M176-A498 VanDerWaalsContact SD-CB 3.53Å
177	V	98.6	Very high	97.5	Very high	4 Å²	4	43 Å²	43	2%	0.024	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	4.7	173.9	-56.3	0	0	0	0	113.3	L173 V175 G179 V199 L200 I474 I492 F494	L173-V177 WeakPolarHBondContact O-CG2 3.46Å; L173-V177 PolarHBondContact O-N 3.21Å; V175-V177 VanDerWaalsContact C-N 3.27Å; V175-V177 PolarHBondContact O-N 2.91Å; V177-G179 PolarHBondContact O-N 3.41Å; V177-V199 HydrophobicContact CB-CG2 3.99Å; V177-V199 HydrophobicContact CG2-CG2 3.98Å; V177-V199 WeakPolarHBondContact O-CG2 3.17Å; V177-L200 HydrophobicContact CG2-CD1 4.1Å; V177-L200 HydrophobicContact CG2-CD2 4.03Å; V177-L200 HydrophobicContact CG2-CG 3.99Å; V177-I474 HydrophobicContact CG1-CG1 4.02Å; V177-I492 HydrophobicContact CB-CG2 3.99Å; V177-I492 HydrophobicContact CG1-CG2 3.9Å; V177-F494 HydrophobicContact CG1-CD1 3.81Å; V177-F494 HydrophobicContact CG1-CE1 4.01Å
178	D	98.4	Very high	97.5	Very high	51 Å²	51	40.6 Å²	40.6	27%	0.273	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	40.9	-173.2	-164.9	30.1	0	0	0	113.8	V175 M176 K197 V495 K496	V175-D178 WeakPolarHBondContact O-CA 3.41Å; V175-D178 PolarHBondContact O-N 3.19Å; M176-D178 VanDerWaalsContact C-N 3.26Å; D178-K197 WeakPolarHBondContact O-CE 3.37Å; D178-K197 WeakPolarHBondContact O-CG 3.45Å; D178-K197 WeakPolarHBondContact OD1-CE 3.4Å; D178-K197 IonicContact OD1-NZ 3.47Å; D178-K197 PolarHBondContact OD1-NZ 3Å; D178-K197 IonicContact OD2-NZ 2.71Å; D178-V495 HydrophobicContact CB-CG2 3.52Å; D178-K496 HydrophobicContact CB-CD 3.91Å; D178-K496 HydrophobicContact CB-CG 4.35Å; D178-K496 VanDerWaalsContact CG-CE 3.41Å; D178-K496 WeakPolarHBondContact OD1-CE 3.34Å; D178-K496 IonicContact OD1-NZ 3.36Å; D178-K496 PolarHBondContact OD1-NZ 3.38Å; D178-K496 IonicContact OD2-NZ 2.71Å
179	G	98.3	Very high	97.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.247	C	C	.	.			trans	-99.4	-6.8	-176.4	0	0	0	0	0	115.1	V174 V177 L196 K197	V174-G179 PolarHBondContact O-N 3.18Å; V177-G179 PolarHBondContact O-N 3.41Å; G179-L196 WeakPolarHBondContact O-CA 3.28Å; G179-L196 WeakPolarHBondContact O-CD1 3.45Å; G179-K197 WeakPolarHBondContact CA-O 3.27Å; G179-K197 PolarHBondContact O-N 3.32Å
180	F	98.1	Very high	97.3	Very high	32 Å²	32	43.2 Å²	43.2	14%	0.14	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	140.8	-169.7	168.9	-102.7	0	0	0	112	V174 V175 Y194 F195 I315	V174-F180 HydrophobicContact CB-CB 3.8Å; V174-F180 HydrophobicContact CB-CG 4.4Å; V174-F180 HydrophobicContact CG2-CB 3.89Å; V174-F180 HydrophobicContact CG2-CD1 3.99Å; V174-F180 HydrophobicContact CG2-CG 3.98Å; V174-F180 PolarHBondContact O-N 3.01Å; V175-F180 HydrophobicContact CG2-CD1 4.14Å; F180-Y194 VanDerWaalsContact CE2-CB 3.49Å; F180-Y194 HydrophobicContact CE2-CG 4.39Å; F180-F195 WeakPolarHBondContact CA-O 3.44Å; F180-I315 HydrophobicContact CD2-CG2 3.43Å; F180-I315 VanDerWaalsContact CD2-CG2 3.43Å; F180-I315 HydrophobicContact CE2-CG2 3.55Å; F180-I315 HydrophobicContact CG-CG2 4.49Å
181	E	97.6	Very high	97	Very high	54 Å²	54	46.8 Å²	46.8	25%	0.252	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	91.4	171.7	-176.6	60.9	-123.4	0	0	110.6	K184 G185 F195	E181-K184 HydrophobicContact CG-CB 3.72Å; E181-K184 HydrophobicContact CG-CG 3.75Å; E181-G185 PolarHBondContact O-N 2.89Å; E181-F195 HydrophobicContact CB-CB 4.21Å; E181-F195 PolarHBondContact N-O 3.37Å; E181-F195 PolarHBondContact O-N 3.49Å; E181-F195 VanDerWaalsContact O-N 3.09Å
182	G	94.7	Very high	96.8	Very high	17 Å²	17	47.8 Å²	47.8	18%	0.175	28%	0.283	C	S	.	.	H	α-helix	trans	-83.7	-34.7	-178	0	0	0	0	0	114.5	G185 A186	G182-G185 PolarHBondContact O-N 3.25Å; G182-A186 WeakPolarHBondContact O-CB 3.41Å; G182-A186 PolarHBondContact O-N 3.25Å
183	E	94.4	Very high	96.7	Very high	147 Å²	147	48 Å²	48	69%	0.687	29%	0.287	S	S	*	.	H	α-helix	trans	-67	-45.2	-177.4	-67.7	-172.2	177.4	0	0	111.2	A186 V187	E183-A186 PolarHBondContact O-N 2.84Å; E183-V187 WeakPolarHBondContact O-CG2 3.33Å; E183-V187 PolarHBondContact O-N 3.24Å
184	K	97.1	Very high	96.7	Very high	133 Å²	133	49.7 Å²	49.7	58%	0.578	29%	0.293	S	S	*	.	H	α-helix	trans	-70.7	-35.4	174.2	-55.5	-62	-175.4	177.8	0	112.2	E181 A186 V187 V188	E181-K184 HydrophobicContact CG-CB 3.72Å; E181-K184 HydrophobicContact CG-CG 3.75Å; K184-A186 VanDerWaalsContact C-N 3.29Å; K184-A186 PolarHBondContact O-N 2.76Å; K184-V187 PolarHBondContact O-N 3.12Å; K184-V188 WeakPolarHBondContact O-CG2 3.47Å; K184-V188 PolarHBondContact O-N 3.37Å; K184-V188 VanDerWaalsContact O-N 3.09Å
185	G	97.1	Very high	96.7	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-57.1	-43.7	173.2	0	0	0	0	0	112	E181 G182 V187 V188 A189 G193	E181-G185 PolarHBondContact O-N 2.89Å; G182-G185 PolarHBondContact O-N 3.25Å; G185-V187 VanDerWaalsContact C-N 3.32Å; G185-V187 PolarHBondContact O-N 3.49Å; G185-V188 PolarHBondContact O-N 2.89Å; G185-A189 PolarHBondContact O-N 2.93Å; G185-G193 CarbonylContact C-O 3.5Å; G185-G193 VanDerWaalsContact C-O 3.3Å; G185-G193 WeakPolarHBondContact CA-O 3.17Å
186	A	95.6	Very high	96.8	Very high	43 Å²	43	54.1 Å²	54.1	36%	0.355	31%	0.311	S	S	.	.	H	α-helix	trans	-63.8	-35.2	177.7	0	0	0	0	0	113.5	G182 E183 K184 G190 G193	G182-A186 WeakPolarHBondContact O-CB 3.41Å; G182-A186 PolarHBondContact O-N 3.25Å; E183-A186 PolarHBondContact O-N 2.84Å; K184-A186 VanDerWaalsContact C-N 3.29Å; K184-A186 PolarHBondContact O-N 2.76Å; A186-G190 VanDerWaalsContact CA-O 3.29Å; A186-G190 WeakPolarHBondContact CA-O 3.37Å; A186-G190 CarbonylContact O-C 3.53Å; A186-G190 VanDerWaalsContact O-CA 3.25Å; A186-G190 WeakPolarHBondContact O-CA 3.18Å; A186-G190 PolarHBondContact O-N 2.99Å; A186-G190 VanDerWaalsContact O-N 3.11Å; A186-G193 PolarHBondContact N-O 2.86Å
187	V	97.6	Very high	96.8	Very high	123 Å²	123	56.9 Å²	56.9	75%	0.745	32%	0.323	S	S	*	.	H	α-helix	trans	-68.1	-38.3	175.1	173.7	0	0	0	0	111.5	E183 K184 G185	E183-V187 WeakPolarHBondContact O-CG2 3.33Å; E183-V187 PolarHBondContact O-N 3.24Å; K184-V187 PolarHBondContact O-N 3.12Å; G185-V187 VanDerWaalsContact C-N 3.32Å; G185-V187 PolarHBondContact O-N 3.49Å
188	V	97.8	Very high	96.7	Very high	104 Å²	104	58.9 Å²	58.9	63%	0.63	34%	0.344	S	S	*	.	H	α-helix	trans	-82.4	-46.4	-174.4	174	0	0	0	0	112.3	K184 G185 F195	K184-V188 WeakPolarHBondContact O-CG2 3.47Å; K184-V188 PolarHBondContact O-N 3.37Å; K184-V188 VanDerWaalsContact O-N 3.09Å; G185-V188 PolarHBondContact O-N 2.89Å; V188-F195 HydrophobicContact CB-CE2 4.17Å; V188-F195 HydrophobicContact CB-CZ 4.28Å; V188-F195 HydrophobicContact CG1-CZ 4.22Å; V188-F195 HydrophobicContact CG2-CE2 3.97Å; V188-F195 HydrophobicContact CG2-CZ 4.07Å
189	A	95.9	Very high	96.7	Very high	76 Å²	76	57.7 Å²	57.7	63%	0.628	34%	0.339	S	S	*	.	H	α-helix	trans	-115.6	2.2	-169	0	0	0	0	0	114.1	G185	G185-A189 PolarHBondContact O-N 2.93Å
190	G	95	Very high	96.8	Very high	34 Å²	34	57.7 Å²	57.7	35%	0.351	34%	0.339	S	S	.	.	S	Bend	trans	84.9	-178.1	-173.3	0	0	0	0	0	113	A186 G193	A186-G190 VanDerWaalsContact CA-O 3.29Å; A186-G190 WeakPolarHBondContact CA-O 3.37Å; A186-G190 CarbonylContact O-C 3.53Å; A186-G190 VanDerWaalsContact O-CA 3.25Å; A186-G190 WeakPolarHBondContact O-CA 3.18Å; A186-G190 PolarHBondContact O-N 2.99Å; A186-G190 VanDerWaalsContact O-N 3.11Å; G190-G193 WeakPolarHBondContact O-CA 3.49Å; G190-G193 PolarHBondContact O-N 3.5Å
191	S	92.4	Very high	96.8	Very high	88 Å²	88	58.8 Å²	58.8	62%	0.615	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	141.8	-178.2	56.3	0	0	0	0	112.4	G193 H319	S191-G193 PolarHBondContact O-N 3.4Å; S191-G193 VanDerWaalsContact O-N 3.16Å; S191-H319 PolarHBondContact O-CD2 3.4Å; S191-H319 PolarHBondContact O-NE2 2.94Å; S191-H319 VanDerWaalsContact O-NE2 3.17Å
192	R	93.4	Very high	96.9	Very high	41 Å²	41	61 Å²	61	16%	0.155	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	3.5	-174.1	-57.2	174	170.4	156	-4.7	115.3	S307 R310	R192-S307 PolarHBondContact NH1-OG 3.1Å; R192-S307 PolarHBondContact NH2-O 3.08Å; R192-S307 PolarHBondContact NH2-OG 3.34Å; R192-S307 VanDerWaalsContact NH2-OG 3.07Å; R192-R310 PolarHBondContact NH2-O 2.77Å
193	G	95.8	Very high	97.1	Very high	12 Å²	12	60.1 Å²	60.1	12%	0.124	35%	0.348	C	S	.	.			trans	-63.5	140.2	165.7	0	0	0	0	0	111.4	G185 A186 G190 S191	G185-G193 CarbonylContact C-O 3.5Å; G185-G193 VanDerWaalsContact C-O 3.3Å; G185-G193 WeakPolarHBondContact CA-O 3.17Å; A186-G193 PolarHBondContact N-O 2.86Å; G190-G193 WeakPolarHBondContact O-CA 3.49Å; G190-G193 PolarHBondContact O-N 3.5Å; S191-G193 PolarHBondContact O-N 3.4Å; S191-G193 VanDerWaalsContact O-N 3.16Å
194	Y	98.4	Very high	97.3	Very high	36 Å²	36	54 Å²	54	14%	0.141	32%	0.32	C	S	.	.			trans	-143.5	156.3	-179	70.4	-79.5	0	0	0	111.6	F180 L196 I315 V318 Q320	F180-Y194 VanDerWaalsContact CE2-CB 3.49Å; F180-Y194 HydrophobicContact CE2-CG 4.39Å; Y194-L196 HydrophobicContact CD2-CB 4.34Å; Y194-L196 HydrophobicContact CE2-CB 4.09Å; Y194-I315 HydrophobicContact CD2-CG2 3.89Å; Y194-I315 HydrophobicContact CE2-CG2 4.3Å; Y194-I315 HydrophobicContact CG-CG2 4.15Å; Y194-V318 HydrophobicContact CD1-CB 4.08Å; Y194-V318 HydrophobicContact CD1-CG1 3.78Å; Y194-V318 HydrophobicContact CE1-CB 3.83Å; Y194-V318 HydrophobicContact CE1-CG1 3.94Å; Y194-V318 HydrophobicContact CE1-CG2 3.85Å; Y194-Q320 WeakPolarHBondContact CE1-O 3.48Å; Y194-Q320 PolarHBondContact OH-O 3.25Å
195	F	98.7	Very high	97.4	Very high	101 Å²	101	52.2 Å²	52.2	44%	0.443	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129.7	158.1	-69	-93.9	0	0	0	109	F180 E181 V188	F180-F195 WeakPolarHBondContact CA-O 3.44Å; E181-F195 HydrophobicContact CB-CB 4.21Å; E181-F195 PolarHBondContact N-O 3.37Å; E181-F195 PolarHBondContact O-N 3.49Å; E181-F195 VanDerWaalsContact O-N 3.09Å; V188-F195 HydrophobicContact CB-CE2 4.17Å; V188-F195 HydrophobicContact CB-CZ 4.28Å; V188-F195 HydrophobicContact CG1-CZ 4.22Å; V188-F195 HydrophobicContact CG2-CE2 3.97Å; V188-F195 HydrophobicContact CG2-CZ 4.07Å
196	L	98.6	Very high	97.5	Very high	31 Å²	31	52.1 Å²	52.1	16%	0.162	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	138.2	164.8	-153.8	73.2	0	0	0	108.8	G179 Y194 L200 V201 E204 I315 I461	G179-L196 WeakPolarHBondContact O-CA 3.28Å; G179-L196 WeakPolarHBondContact O-CD1 3.45Å; Y194-L196 HydrophobicContact CD2-CB 4.34Å; Y194-L196 HydrophobicContact CE2-CB 4.09Å; L196-L200 HydrophobicContact CD1-CB 3.77Å; L196-L200 HydrophobicContact CD1-CD1 4Å; L196-L200 HydrophobicContact CD2-CB 4.08Å; L196-L200 HydrophobicContact CG-CB 3.83Å; L196-V201 HydrophobicContact CB-CG2 4.24Å; L196-V201 HydrophobicContact CD2-CG2 4.33Å; L196-V201 HydrophobicContact CG-CG2 4.25Å; L196-E204 HydrophobicContact CD2-CB 4.26Å; L196-E204 WeakPolarHBondContact CD2-OE2 3.28Å; L196-I315 HydrophobicContact CD1-CD1 4.04Å; L196-I461 HydrophobicContact CD2-CD1 4.5Å
197	K	98.4	Very high	97.6	Very high	66 Å²	66	50.1 Å²	50.1	29%	0.287	30%	0.296	S	S	.	.			trans	-144.4	160	-176.2	65.8	-175.1	-174.1	178.4	0	113	D178 G179 V199 L200	D178-K197 WeakPolarHBondContact O-CE 3.37Å; D178-K197 WeakPolarHBondContact O-CG 3.45Å; D178-K197 WeakPolarHBondContact OD1-CE 3.4Å; D178-K197 IonicContact OD1-NZ 3.47Å; D178-K197 PolarHBondContact OD1-NZ 3Å; D178-K197 IonicContact OD2-NZ 2.71Å; G179-K197 WeakPolarHBondContact CA-O 3.27Å; G179-K197 PolarHBondContact O-N 3.32Å; K197-V199 PolarHBondContact O-N 3.03Å; K197-L200 PolarHBondContact O-N 3.49Å
198	G	98.3	Very high	97.7	Very high	46 Å²	46	44.7 Å²	44.7	47%	0.474	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	-123	171.4	0	0	0	0	0	113.3	L200 V201 F202	G198-L200 VanDerWaalsContact C-N 3.28Å; G198-L200 PolarHBondContact O-N 3.39Å; G198-V201 WeakPolarHBondContact O-CB 3.33Å; G198-V201 PolarHBondContact O-N 2.87Å; G198-V201 VanDerWaalsContact O-N 3.17Å; G198-F202 WeakPolarHBondContact O-CD2 3.34Å; G198-F202 PolarHBondContact O-N 3.28Å
199	V	98.6	Very high	97.7	Very high	27 Å²	27	43.7 Å²	43.7	16%	0.164	25%	0.251	C	S	.	.	H	α-helix	trans	-59.8	-32.8	-171.8	-58.2	0	0	0	0	113.9	V177 K197 F202 L203 L488 I492	V177-V199 HydrophobicContact CB-CG2 3.99Å; V177-V199 HydrophobicContact CG2-CG2 3.98Å; V177-V199 WeakPolarHBondContact O-CG2 3.17Å; K197-V199 PolarHBondContact O-N 3.03Å; V199-F202 PolarHBondContact O-N 2.82Å; V199-L203 PolarHBondContact O-N 2.93Å; V199-L203 VanDerWaalsContact O-N 3.11Å; V199-L488 HydrophobicContact CB-CD1 4.3Å; V199-L488 HydrophobicContact CG1-CD1 3.78Å; V199-L488 HydrophobicContact CG1-CD2 4.03Å; V199-I492 HydrophobicContact CB-CG2 3.73Å; V199-I492 HydrophobicContact CG1-CG2 4.11Å; V199-I492 HydrophobicContact CG2-CG2 3.52Å
200	L	98.8	Very high	97.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-78.1	-25.2	-178.8	-65	-172.9	0	0	0	112.9	V174 V177 L196 K197 G198 F202 L203 E204 I461 L465	V174-L200 HydrophobicContact CB-CD1 4.13Å; V174-L200 HydrophobicContact CG1-CD1 4.01Å; V177-L200 HydrophobicContact CG2-CD1 4.1Å; V177-L200 HydrophobicContact CG2-CD2 4.03Å; V177-L200 HydrophobicContact CG2-CG 3.99Å; L196-L200 HydrophobicContact CD1-CB 3.77Å; L196-L200 HydrophobicContact CD1-CD1 4Å; L196-L200 HydrophobicContact CD2-CB 4.08Å; L196-L200 HydrophobicContact CG-CB 3.83Å; K197-L200 PolarHBondContact O-N 3.49Å; G198-L200 VanDerWaalsContact C-N 3.28Å; G198-L200 PolarHBondContact O-N 3.39Å; L200-F202 VanDerWaalsContact C-N 3.35Å; L200-L203 HydrophobicContact CD2-CD2 4.14Å; L200-L203 PolarHBondContact O-N 3.25Å; L200-E204 WeakPolarHBondContact O-CB 3.39Å; L200-E204 PolarHBondContact O-N 3.29Å; L200-I461 HydrophobicContact CD2-CG2 4.13Å; L200-L465 HydrophobicContact CD2-CD1 4.49Å; L200-L465 HydrophobicContact CD2-CD2 4.05Å
201	V	98.9	Very high	98.1	Very high	54 Å²	54	39.9 Å²	39.9	33%	0.327	21%	0.21	S	C	.	.	H	α-helix	trans	-65.2	-42.9	170.9	175.7	0	0	0	0	109.9	L196 G198 L203 E204 Q205	L196-V201 HydrophobicContact CB-CG2 4.24Å; L196-V201 HydrophobicContact CD2-CG2 4.33Å; L196-V201 HydrophobicContact CG-CG2 4.25Å; G198-V201 WeakPolarHBondContact O-CB 3.33Å; G198-V201 PolarHBondContact O-N 2.87Å; G198-V201 VanDerWaalsContact O-N 3.17Å; V201-L203 PolarHBondContact O-N 2.99Å; V201-E204 WeakPolarHBondContact O-CB 3.03Å; V201-E204 PolarHBondContact O-N 3.48Å; V201-Q205 WeakPolarHBondContact O-CG 3.25Å; V201-Q205 PolarHBondContact O-N 3Å
202	F	98.9	Very high	98.4	Very high	100 Å²	100	37 Å²	37	44%	0.439	19%	0.187	S	C	.	.	H	α-helix	trans	-64.9	-39.2	175.2	-69.8	-62.8	0	0	0	112.4	G198 V199 L200 E204 Q205 A206 M484 P485 L488	G198-F202 WeakPolarHBondContact O-CD2 3.34Å; G198-F202 PolarHBondContact O-N 3.28Å; V199-F202 PolarHBondContact O-N 2.82Å; L200-F202 VanDerWaalsContact C-N 3.35Å; F202-E204 VanDerWaalsContact C-N 3.35Å; F202-Q205 PolarHBondContact O-N 3.23Å; F202-A206 WeakPolarHBondContact O-CB 3.45Å; F202-A206 PolarHBondContact O-N 3.33Å; F202-M484 HydrophobicContact CB-CE 4.27Å; F202-M484 HydrophobicContact CB-SD 4.21Å; F202-P485 HydrophobicContact CB-CG 4.24Å; F202-P485 HydrophobicContact CD1-CG 3.93Å; F202-P485 HydrophobicContact CD2-CG 3.89Å; F202-P485 HydrophobicContact CE1-CG 4.22Å; F202-P485 HydrophobicContact CE2-CG 4.18Å; F202-P485 HydrophobicContact CG-CG 3.75Å; F202-P485 HydrophobicContact CZ-CG 4.34Å; F202-L488 HydrophobicContact CD2-CD1 4.27Å
203	L	98.9	Very high	98.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.7	-39.1	175.9	-172.7	62.6	0	0	0	112.1	V199 L200 V201 A206 L207 I461 I464 L480 M484 I492	V199-L203 PolarHBondContact O-N 2.93Å; V199-L203 VanDerWaalsContact O-N 3.11Å; L200-L203 HydrophobicContact CD2-CD2 4.14Å; L200-L203 PolarHBondContact O-N 3.25Å; V201-L203 PolarHBondContact O-N 2.99Å; L203-A206 PolarHBondContact O-N 3.36Å; L203-L207 WeakPolarHBondContact O-CG 3.48Å; L203-L207 PolarHBondContact O-N 3.32Å; L203-I461 HydrophobicContact CD2-CG1 4.16Å; L203-I461 HydrophobicContact CD2-CG2 4.21Å; L203-I461 HydrophobicContact CG-CG1 4.28Å; L203-I464 HydrophobicContact CD2-CG2 4.42Å; L203-L480 HydrophobicContact CD1-CD1 3.83Å; L203-M484 HydrophobicContact CD1-SD 4.35Å; L203-I492 HydrophobicContact CD2-CD1 4.21Å
204	E	98.9	Very high	98.8	Very high	18 Å²	18	41.5 Å²	41.5	8%	0.084	20%	0.203	C	C	.	.	H	α-helix	trans	-61.4	-48.9	173.6	-166.8	-165.3	113.2	0	0	111.5	L196 L200 V201 F202 A206 L207 I208 T457 I461	L196-E204 HydrophobicContact CD2-CB 4.26Å; L196-E204 WeakPolarHBondContact CD2-OE2 3.28Å; L200-E204 WeakPolarHBondContact O-CB 3.39Å; L200-E204 PolarHBondContact O-N 3.29Å; V201-E204 WeakPolarHBondContact O-CB 3.03Å; V201-E204 PolarHBondContact O-N 3.48Å; F202-E204 VanDerWaalsContact C-N 3.35Å; E204-A206 VanDerWaalsContact C-N 3.31Å; E204-A206 PolarHBondContact O-N 3.25Å; E204-L207 WeakPolarHBondContact O-CB 3.49Å; E204-L207 PolarHBondContact O-N 2.92Å; E204-I208 HydrophobicContact CG-CD1 4.19Å; E204-I208 WeakPolarHBondContact O-CG1 3.39Å; E204-I208 PolarHBondContact O-N 2.82Å; E204-T457 HydrophobicContact CG-CG2 4.09Å; E204-I461 HydrophobicContact CB-CD1 3.91Å; E204-I461 HydrophobicContact CG-CD1 4.3Å
205	Q	98.9	Very high	98.8	Very high	95 Å²	95	39.8 Å²	39.8	44%	0.444	20%	0.196	S	C	.	.	H	α-helix	trans	-63.4	-36.9	177.6	-67.9	-61.5	-50.8	0	0	112.1	V201 F202 I208 Q209	V201-Q205 WeakPolarHBondContact O-CG 3.25Å; V201-Q205 PolarHBondContact O-N 3Å; F202-Q205 PolarHBondContact O-N 3.23Å; Q205-I208 PolarHBondContact O-N 3.19Å; Q205-Q209 WeakPolarHBondContact O-CB 3.39Å; Q205-Q209 WeakPolarHBondContact O-CG 3.38Å; Q205-Q209 PolarHBondContact O-N 3.19Å
206	A	98.9	Very high	98.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62	-43.7	173.7	0	0	0	0	0	112	F202 L203 E204 Q209 Y210 L480 F483 M484	F202-A206 WeakPolarHBondContact O-CB 3.45Å; F202-A206 PolarHBondContact O-N 3.33Å; L203-A206 PolarHBondContact O-N 3.36Å; E204-A206 VanDerWaalsContact C-N 3.31Å; E204-A206 PolarHBondContact O-N 3.25Å; A206-Q209 PolarHBondContact O-N 3.42Å; A206-Y210 VanDerWaalsContact O-CB 3.25Å; A206-Y210 WeakPolarHBondContact O-CB 3.04Å; A206-Y210 PolarHBondContact O-N 3.36Å; A206-L480 HydrophobicContact CB-CB 4.41Å; A206-F483 HydrophobicContact CB-CB 3.62Å; A206-M484 HydrophobicContact CB-CG 4.39Å; A206-M484 HydrophobicContact CB-SD 3.91Å
207	L	98.9	Very high	98.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.8	-44.4	175.1	-78.1	167.1	0	0	0	112.2	L203 E204 Y210 A211 F351 L355 T460 I461 I464 L480	L203-L207 WeakPolarHBondContact O-CG 3.48Å; L203-L207 PolarHBondContact O-N 3.32Å; E204-L207 WeakPolarHBondContact O-CB 3.49Å; E204-L207 PolarHBondContact O-N 2.92Å; L207-Y210 PolarHBondContact O-N 2.66Å; L207-A211 VanDerWaalsContact O-CB 3.29Å; L207-A211 WeakPolarHBondContact O-CB 3.41Å; L207-A211 PolarHBondContact O-N 3.49Å; L207-F351 HydrophobicContact CD2-CZ 4.48Å; L207-L355 HydrophobicContact CD2-CD1 4.1Å; L207-T460 HydrophobicContact CD1-CG2 4.04Å; L207-T460 HydrophobicContact CD2-CG2 3.72Å; L207-I461 HydrophobicContact CD1-CD1 4.46Å; L207-I461 HydrophobicContact CD1-CG1 3.63Å; L207-I464 HydrophobicContact CD1-CD1 4.22Å; L207-I464 HydrophobicContact CD2-CD1 3.92Å; L207-I464 HydrophobicContact CG-CD1 4.41Å; L207-L480 HydrophobicContact CD2-CD1 3.87Å; L207-L480 HydrophobicContact CD2-CD2 4.11Å; L207-L480 HydrophobicContact CG-CD1 4.14Å
208	I	98.9	Very high	98.8	Very high	10 Å²	10	40.7 Å²	40.7	5%	0.051	22%	0.218	C	C	.	.	H	α-helix	trans	-59.5	-50.8	177.8	-67.8	162.2	0	0	0	110.3	E204 Q205 Y210 A211 L212 L297 E322 I324 T457	E204-I208 HydrophobicContact CG-CD1 4.19Å; E204-I208 WeakPolarHBondContact O-CG1 3.39Å; E204-I208 PolarHBondContact O-N 2.82Å; Q205-I208 PolarHBondContact O-N 3.19Å; I208-Y210 PolarHBondContact O-N 3.39Å; I208-A211 PolarHBondContact O-N 3.14Å; I208-L212 HydrophobicContact CG2-CD1 3.92Å; I208-L212 WeakPolarHBondContact O-CB 3.41Å; I208-L212 WeakPolarHBondContact O-CG 3.16Å; I208-L212 PolarHBondContact O-N 3Å; I208-L297 HydrophobicContact CG2-CD1 3.94Å; I208-L297 HydrophobicContact CG2-CD2 4.36Å; I208-E322 HydrophobicContact CD1-CB 4.48Å; I208-E322 HydrophobicContact CD1-CG 4.47Å; I208-I324 HydrophobicContact CB-CD1 4.37Å; I208-I324 HydrophobicContact CG1-CD1 3.96Å; I208-T457 HydrophobicContact CD1-CG2 4.36Å; I208-T457 HydrophobicContact CG1-CG2 3.84Å
209	Q	98.9	Very high	98.8	Very high	83 Å²	83	41 Å²	41	39%	0.388	22%	0.221	S	C	.	.	H	α-helix	trans	-63.5	-41.5	-179.7	-72.7	-65.7	91.8	0	0	112.3	Q205 A206 R213 F483	Q205-Q209 WeakPolarHBondContact O-CB 3.39Å; Q205-Q209 WeakPolarHBondContact O-CG 3.38Å; Q205-Q209 PolarHBondContact O-N 3.19Å; A206-Q209 PolarHBondContact O-N 3.42Å; Q209-R213 WeakPolarHBondContact O-CB 3.34Å; Q209-R213 WeakPolarHBondContact O-CG 3.42Å; Q209-R213 PolarHBondContact O-N 2.76Å; Q209-F483 HydrophobicContact CB-CD1 3.64Å; Q209-F483 HydrophobicContact CB-CE1 3.95Å; Q209-F483 HydrophobicContact CB-CG 4.15Å; Q209-F483 HydrophobicContact CG-CD1 4.49Å
210	Y	98.9	Very high	98.9	Very high	30 Å²	30	40 Å²	40	12%	0.118	22%	0.215	C	C	.	.	H	α-helix	trans	-65.5	-46.1	178.5	-176.6	-126.1	0	0	0	112	A206 L207 I208 R213 T214 F351 S354 L355 K479 L480 F483	A206-Y210 VanDerWaalsContact O-CB 3.25Å; A206-Y210 WeakPolarHBondContact O-CB 3.04Å; A206-Y210 PolarHBondContact O-N 3.36Å; L207-Y210 PolarHBondContact O-N 2.66Å; I208-Y210 PolarHBondContact O-N 3.39Å; Y210-R213 PolarHBondContact O-N 3.38Å; Y210-T214 WeakPolarHBondContact O-CB 3.41Å; Y210-T214 PolarHBondContact O-N 2.87Å; Y210-T214 PolarHBondContact O-OG1 2.95Å; Y210-F351 AromaticContact CD1-CD2 3.97Å; Y210-F351 HydrophobicContact CD1-CD2 3.97Å; Y210-F351 AromaticContact CD1-CE2 3.28Å; Y210-F351 HydrophobicContact CD1-CE2 3.28Å; Y210-F351 HydrophobicContact CD1-CZ 4Å; Y210-F351 AromaticContact CE1-CD2 3.68Å; Y210-F351 HydrophobicContact CE1-CD2 3.68Å; Y210-F351 AromaticContact CE1-CE2 3.5Å; Y210-F351 HydrophobicContact CE1-CE2 3.5Å; Y210-F351 HydrophobicContact CE1-CZ 4.4Å; Y210-F351 HydrophobicContact CG-CE2 4.23Å; Y210-S354 WeakPolarHBondContact OH-CB 3.32Å; Y210-S354 PolarHBondContact OH-OG 2.9Å; Y210-L355 HydrophobicContact CD1-CD2 3.99Å; Y210-L355 HydrophobicContact CE1-CD2 3.89Å; Y210-L355 HydrophobicContact CE1-CG 4.22Å; Y210-K479 HydrophobicContact CD1-CB 4.44Å; Y210-K479 HydrophobicContact CD2-CB 4.36Å; Y210-K479 HydrophobicContact CE1-CB 3.92Å; Y210-K479 HydrophobicContact CE2-CB 3.84Å; Y210-K479 HydrophobicContact CE2-CG 4.37Å; Y210-L480 HydrophobicContact CD1-CD2 3.84Å; Y210-L480 HydrophobicContact CG-CD2 3.96Å; Y210-F483 AromaticContact CD2-CE2 3.78Å; Y210-F483 HydrophobicContact CD2-CE2 3.78Å; Y210-F483 HydrophobicContact CD2-CZ 4.3Å; Y210-F483 HydrophobicContact CG-CE2 4.13Å
211	A	98.9	Very high	98.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.9	-44.9	179.2	0	0	0	0	0	112	L207 I208 T214 L215 I324 F351 M454 C455	L207-A211 VanDerWaalsContact O-CB 3.29Å; L207-A211 WeakPolarHBondContact O-CB 3.41Å; L207-A211 PolarHBondContact O-N 3.49Å; I208-A211 PolarHBondContact O-N 3.14Å; A211-T214 PolarHBondContact O-N 3.16Å; A211-L215 WeakPolarHBondContact O-CG 3.44Å; A211-L215 PolarHBondContact O-N 3.4Å; A211-I324 HydrophobicContact CB-CB 4.09Å; A211-I324 HydrophobicContact CB-CD1 4.17Å; A211-I324 HydrophobicContact CB-CG1 3.97Å; A211-I324 HydrophobicContact CB-CG2 4.06Å; A211-F351 HydrophobicContact CB-CE2 3.91Å; A211-F351 HydrophobicContact CB-CZ 4.04Å; A211-M454 HydrophobicContact CB-CG 4.29Å; A211-C455 HydrophobicContact CB-CB 4.2Å
212	L	98.9	Very high	98.9	Very high	26 Å²	26	45 Å²	45	14%	0.136	25%	0.247	C	C	.	.	H	α-helix	trans	-64.3	-41.3	177.9	-71.7	175.4	0	0	0	112.7	I208 G216 P222 A295 L297 I324	I208-L212 HydrophobicContact CG2-CD1 3.92Å; I208-L212 WeakPolarHBondContact O-CB 3.41Å; I208-L212 WeakPolarHBondContact O-CG 3.16Å; I208-L212 PolarHBondContact O-N 3Å; L212-G216 PolarHBondContact O-N 2.6Å; L212-P222 HydrophobicContact CD2-CB 4.37Å; L212-A295 HydrophobicContact CD2-CB 4.33Å; L212-L297 HydrophobicContact CD1-CD2 4.2Å; L212-L297 HydrophobicContact CD2-CB 4.48Å; L212-I324 HydrophobicContact CD2-CG2 4.28Å
213	R	98.9	Very high	98.8	Very high	132 Å²	132	42 Å²	42	50%	0.498	24%	0.235	S	C	.	.	H	α-helix	trans	-66.7	-39.1	176.3	-75.1	-173.7	-179.7	-174.6	5.3	112	Q209 Y210 G216 S217 E482	Q209-R213 WeakPolarHBondContact O-CB 3.34Å; Q209-R213 WeakPolarHBondContact O-CG 3.42Å; Q209-R213 PolarHBondContact O-N 2.76Å; Y210-R213 PolarHBondContact O-N 3.38Å; R213-G216 PolarHBondContact O-N 2.92Å; R213-S217 WeakPolarHBondContact O-CB 3.43Å; R213-S217 PolarHBondContact O-N 2.94Å; R213-S217 PolarHBondContact O-OG 3.48Å; R213-E482 IonicContact CZ-OE1 3.17Å; R213-E482 IonicContact NH1-OE1 3.47Å; R213-E482 PolarHBondContact NH1-OE1 3.47Å
214	T	98.8	Very high	98.8	Very high	16 Å²	16	49.4 Å²	49.4	10%	0.098	26%	0.264	C	S	.	.	H	α-helix	trans	-63.2	-44	176.2	-64	0	0	0	0	112.1	Y210 A211 S217 R218 F351 M454	Y210-T214 WeakPolarHBondContact O-CB 3.41Å; Y210-T214 PolarHBondContact O-N 2.87Å; Y210-T214 PolarHBondContact O-OG1 2.95Å; A211-T214 PolarHBondContact O-N 3.16Å; T214-S217 PolarHBondContact O-OG 3.46Å; T214-R218 WeakPolarHBondContact O-CG 3.35Å; T214-F351 HydrophobicContact CG2-CD2 4.49Å; T214-M454 HydrophobicContact CG2-CE 3.61Å
215	L	98.9	Very high	98.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-72.4	-41.1	176.8	-68.7	179.7	0	0	0	111.7	A211 S217 R218 G219 Y220 A295 I324 Q326 T347 M454	A211-L215 WeakPolarHBondContact O-CG 3.44Å; A211-L215 PolarHBondContact O-N 3.4Å; L215-S217 VanDerWaalsContact C-N 3.32Å; L215-S217 PolarHBondContact O-N 3.38Å; L215-R218 CarbonylContact O-C 3.52Å; L215-R218 WeakPolarHBondContact O-CA 3.32Å; L215-R218 WeakPolarHBondContact O-CB 3.45Å; L215-R218 PolarHBondContact O-N 2.95Å; L215-G219 PolarHBondContact O-N 3Å; L215-Y220 HydrophobicContact CB-CD2 4.19Å; L215-Y220 HydrophobicContact CB-CG 4.04Å; L215-Y220 HydrophobicContact CD2-CD2 3.99Å; L215-Y220 HydrophobicContact CD2-CE2 4.06Å; L215-Y220 HydrophobicContact CD2-CG 4.26Å; L215-Y220 WeakPolarHBondContact O-CB 3.39Å; L215-Y220 WeakPolarHBondContact O-CD2 3.39Å; L215-Y220 PolarHBondContact O-N 2.79Å; L215-Y220 VanDerWaalsContact O-N 3.1Å; L215-A295 HydrophobicContact CB-CB 3.8Å; L215-A295 HydrophobicContact CD1-CB 3.58Å; L215-A295 HydrophobicContact CG-CB 4.36Å; L215-I324 HydrophobicContact CD1-CG2 3.71Å; L215-Q326 HydrophobicContact CD1-CG 4.08Å; L215-Q326 HydrophobicContact CD2-CG 3.72Å; L215-T347 HydrophobicContact CD2-CG2 3.79Å; L215-M454 HydrophobicContact CD1-CB 3.99Å; L215-M454 HydrophobicContact CD1-CG 3.91Å; L215-M454 HydrophobicContact CD2-CE 3.84Å; L215-M454 HydrophobicContact CD2-CG 4.24Å; L215-M454 HydrophobicContact CD2-SD 3.93Å; L215-M454 HydrophobicContact CG-CE 4.09Å; L215-M454 HydrophobicContact CG-CG 4.07Å; L215-M454 HydrophobicContact CG-SD 4.36Å
216	G	98.8	Very high	98.8	Very high	33 Å²	33	48.2 Å²	48.2	34%	0.34	27%	0.266	S	S	.	.	H	α-helix	trans	-58.7	-40.6	178.1	0	0	0	0	0	113	L212 R213 R218 G219	L212-G216 PolarHBondContact O-N 2.6Å; R213-G216 PolarHBondContact O-N 2.92Å; G216-R218 PolarHBondContact O-N 3.45Å; G216-G219 PolarHBondContact O-N 3.39Å; G216-G219 VanDerWaalsContact O-N 3.15Å
217	S	98.6	Very high	98.8	Very high	100 Å²	100	50.3 Å²	50.3	70%	0.699	28%	0.275	S	S	*	.	H	α-helix	trans	-69	-16.9	175.2	67.7	0	0	0	0	113.8	R213 T214 L215	R213-S217 WeakPolarHBondContact O-CB 3.43Å; R213-S217 PolarHBondContact O-N 2.94Å; R213-S217 PolarHBondContact O-OG 3.48Å; T214-S217 PolarHBondContact O-OG 3.46Å; L215-S217 VanDerWaalsContact C-N 3.32Å; L215-S217 PolarHBondContact O-N 3.38Å
218	R	98.7	Very high	98.7	Very high	84 Å²	84	55.3 Å²	55.3	32%	0.317	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	12.4	173.3	-65.5	-178.8	-169.6	-122.9	-10.9	113.6	T214 L215 G216 Y220 T347 E350	T214-R218 WeakPolarHBondContact O-CG 3.35Å; L215-R218 CarbonylContact O-C 3.52Å; L215-R218 WeakPolarHBondContact O-CA 3.32Å; L215-R218 WeakPolarHBondContact O-CB 3.45Å; L215-R218 PolarHBondContact O-N 2.95Å; G216-R218 PolarHBondContact O-N 3.45Å; R218-Y220 VanDerWaalsContact C-N 3.34Å; R218-Y220 HydrophobicContact CB-CD2 4Å; R218-Y220 HydrophobicContact CB-CE2 4.25Å; R218-T347 PolarHBondContact NH1-OG1 3.46Å; R218-T347 VanDerWaalsContact NH1-OG1 3.16Å; R218-E350 IonicContact CZ-OE2 3.69Å; R218-E350 IonicContact NH1-OE2 3.89Å; R218-E350 PolarHBondContact NH1-OE2 3.22Å; R218-E350 IonicContact NH2-OE2 2.72Å; R218-E350 PolarHBondContact NH2-OE2 3.28Å
219	G	98.6	Very high	98.7	Very high	53 Å²	53	55.6 Å²	55.6	55%	0.546	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	13.4	177.2	0	0	0	0	0	114.6	L215 G216	L215-G219 PolarHBondContact O-N 3Å; G216-G219 PolarHBondContact O-N 3.39Å; G216-G219 VanDerWaalsContact O-N 3.15Å
220	Y	98.9	Very high	98.6	Very high	5 Å²	5	57.1 Å²	57.1	2%	0.02	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-74.7	138.9	167.1	-71.2	-104.7	0	0	0	110.1	L215 R218 P222 K293 Y294 Q326 V328	L215-Y220 HydrophobicContact CB-CD2 4.19Å; L215-Y220 HydrophobicContact CB-CG 4.04Å; L215-Y220 HydrophobicContact CD2-CD2 3.99Å; L215-Y220 HydrophobicContact CD2-CE2 4.06Å; L215-Y220 HydrophobicContact CD2-CG 4.26Å; L215-Y220 WeakPolarHBondContact O-CB 3.39Å; L215-Y220 WeakPolarHBondContact O-CD2 3.39Å; L215-Y220 PolarHBondContact O-N 2.79Å; L215-Y220 VanDerWaalsContact O-N 3.1Å; R218-Y220 VanDerWaalsContact C-N 3.34Å; R218-Y220 HydrophobicContact CB-CD2 4Å; R218-Y220 HydrophobicContact CB-CE2 4.25Å; Y220-P222 WeakPolarHBondContact O-CD 3.33Å; Y220-K293 WeakPolarHBondContact CA-O 3.47Å; Y220-K293 HydrophobicContact CD1-CB 3.59Å; Y220-K293 HydrophobicContact CD2-CB 4.31Å; Y220-K293 HydrophobicContact CD2-CD 4.24Å; Y220-K293 HydrophobicContact CE1-CB 3.79Å; Y220-K293 HydrophobicContact CE1-CD 4.41Å; Y220-K293 HydrophobicContact CE1-CG 4.39Å; Y220-K293 HydrophobicContact CE2-CD 3.94Å; Y220-K293 HydrophobicContact CG-CB 3.85Å; Y220-Y294 WeakPolarHBondContact CD1-O 3.46Å; Y220-Q326 HydrophobicContact CE1-CB 3.83Å; Y220-Q326 HydrophobicContact CE1-CG 4.13Å; Y220-Q326 PolarHBondContact OH-OE1 3.06Å; Y220-V328 HydrophobicContact CE1-CG2 3.92Å
221	T	98.9	Very high	98.4	Very high	79 Å²	79	59.3 Å²	59.3	49%	0.485	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	116.5	172.5	-60.5	0	0	0	0	109.3	I223 K293 Y294 A295	T221-I223 PolarHBondContact O-N 2.81Å; T221-K293 PolarHBondContact N-O 2.84Å; T221-Y294 HydrophobicContact CG2-CD1 4.44Å; T221-Y294 HydrophobicContact CG2-CE1 4.34Å; T221-Y294 WeakPolarHBondContact O-CA 3.41Å; T221-A295 PolarHBondContact O-N 3.16Å
222	P	98.8	Very high	98.2	Very high	80 Å²	80	63.7 Å²	63.7	52%	0.519	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	131.8	173.6	-22.9	35.1	0	0	0	111.1	L212 Y220 A295	L212-P222 HydrophobicContact CD2-CB 4.37Å; Y220-P222 WeakPolarHBondContact O-CD 3.33Å; P222-A295 WeakPolarHBondContact CA-O 3.36Å
223	I	98.8	Very high	98.1	Very high	38 Å²	38	63.2 Å²	63.2	20%	0.195	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	126.7	179.6	-169.9	167.9	0	0	0	110.7	T221 I276 L279 Y294 A295 G296 L297	T221-I223 PolarHBondContact O-N 2.81Å; I223-I276 HydrophobicContact CG2-CD1 3.71Å; I223-I276 HydrophobicContact CG2-CG1 4.07Å; I223-L279 HydrophobicContact CD1-CD2 3.68Å; I223-Y294 HydrophobicContact CB-CD1 4.12Å; I223-Y294 HydrophobicContact CD1-CD1 4.17Å; I223-Y294 HydrophobicContact CD1-CE1 4.18Å; I223-Y294 HydrophobicContact CG2-CD1 3.94Å; I223-Y294 HydrophobicContact CG2-CG 4.18Å; I223-A295 PolarHBondContact N-O 2.96Å; I223-G296 WeakPolarHBondContact O-CA 3.17Å; I223-L297 PolarHBondContact O-N 3.13Å
224	Y	98.8	Very high	98	Very high	156 Å²	156	57 Å²	57	61%	0.612	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	132.1	170.2	176.8	-97.3	0	0	0	109	F227	Y224-F227 AromaticContact CE2-CE1 3.68Å; Y224-F227 HydrophobicContact CE2-CE1 3.68Å; Y224-F227 AromaticContact CE2-CZ 3.56Å; Y224-F227 HydrophobicContact CE2-CZ 3.56Å; Y224-F227 AromaticContact CZ-CE1 3.79Å; Y224-F227 AromaticContact CZ-CZ 3.74Å; Y224-F227 WeakPolarHBondContact OH-CZ 3.34Å
225	T	98.6	Very high	97.7	Very high	5 Å²	5	60.1 Å²	60.1	3%	0.031	32%	0.319	C	S	.	.			trans	-109.8	153.4	-171	65.1	0	0	0	0	112.3	F227 P275 I276 S298	T225-F227 WeakPolarHBondContact O-CD1 3.22Å; T225-F227 WeakPolarHBondContact O-CE1 3.5Å; T225-P275 HydrophobicContact CG2-CB 4.37Å; T225-P275 HydrophobicContact CG2-CG 3.85Å; T225-I276 HydrophobicContact CG2-CD1 4.16Å; T225-I276 HydrophobicContact CG2-CG1 3.77Å; T225-S298 WeakPolarHBondContact OG1-CB 3.29Å
226	P	98.6	Very high	97.5	Very high	82 Å²	82	61.1 Å²	61.1	53%	0.532	32%	0.324	S	S	.	.			trans	-57.5	139.7	162.1	-21.2	33.2	0	0	0	110.7	F228	P226-F228 VanDerWaalsContact C-N 3.33Å
227	F	98.7	Very high	97.3	Very high	44 Å²	44	59.8 Å²	59.8	19%	0.193	31%	0.31	C	S	.	.	S	Bend	trans	-88.8	-1.2	-178.4	-65.8	-5.5	0	0	0	113.8	Y224 T225 L268 I269 T299 F301	Y224-F227 AromaticContact CE2-CE1 3.68Å; Y224-F227 HydrophobicContact CE2-CE1 3.68Å; Y224-F227 AromaticContact CE2-CZ 3.56Å; Y224-F227 HydrophobicContact CE2-CZ 3.56Å; Y224-F227 AromaticContact CZ-CE1 3.79Å; Y224-F227 AromaticContact CZ-CZ 3.74Å; Y224-F227 WeakPolarHBondContact OH-CZ 3.34Å; T225-F227 WeakPolarHBondContact O-CD1 3.22Å; T225-F227 WeakPolarHBondContact O-CE1 3.5Å; F227-L268 CarbonylContact O-C 3.5Å; F227-L268 VanDerWaalsContact O-CA 3.26Å; F227-L268 WeakPolarHBondContact O-CA 3.4Å; F227-L268 WeakPolarHBondContact O-CD2 3.22Å; F227-I269 HydrophobicContact CD1-CD1 4.15Å; F227-I269 PolarHBondContact O-N 3.43Å; F227-T299 VanDerWaalsContact CZ-N 3.28Å; F227-F301 HydrophobicContact CB-CE2 4.2Å; F227-F301 HydrophobicContact CD2-CE2 4.21Å; F227-F301 HydrophobicContact CG-CE2 4.44Å
228	F	97.7	Very high	97	Very high	106 Å²	106	55.3 Å²	55.3	47%	0.465	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	148	173.9	51.3	-99.3	0	0	0	110.6	P226 K266 Y267 L268	P226-F228 VanDerWaalsContact C-N 3.33Å; F228-K266 HydrophobicContact CB-CB 4.4Å; F228-K266 HydrophobicContact CD2-CD 3.62Å; F228-K266 HydrophobicContact CE2-CD 4.06Å; F228-K266 HydrophobicContact CG-CD 4.4Å; F228-Y267 CarbonylContact C-O 3.56Å; F228-Y267 WeakPolarHBondContact CA-O 3.41Å; F228-L268 HydrophobicContact CB-CD2 4.31Å
229	M	98.1	Very high	96.4	Very high	15 Å²	15	52.2 Å²	52.2	7%	0.074	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	147.8	175.8	-61.1	175.9	67	0	0	110.4	V233 M234 V237 K266 Y267 I269 Q274 P275 A278	M229-V233 HydrophobicContact CE-CB 4.27Å; M229-V233 HydrophobicContact CE-CG1 3.65Å; M229-M234 HydrophobicContact CB-CB 4.37Å; M229-M234 HydrophobicContact CB-CE 4.03Å; M229-M234 HydrophobicContact CG-CE 4.23Å; M229-M234 HydrophobicContact SD-CE 3.88Å; M229-M234 HydrophobicContact SD-SD 4.25Å; M229-V237 HydrophobicContact CE-CG2 3.91Å; M229-V237 HydrophobicContact SD-CG2 4.42Å; M229-K266 CarbonylContact O-C 3.57Å; M229-K266 VanDerWaalsContact O-CA 3.23Å; M229-K266 WeakPolarHBondContact O-CA 3.48Å; M229-K266 WeakPolarHBondContact O-CB 3.07Å; M229-Y267 PolarHBondContact N-O 3.5Å; M229-Y267 PolarHBondContact O-N 2.91Å; M229-I269 HydrophobicContact CG-CG2 3.84Å; M229-I269 HydrophobicContact SD-CG2 3.95Å; M229-Q274 HydrophobicContact SD-CB 3.65Å; M229-P275 HydrophobicContact SD-CB 4.12Å; M229-A278 HydrophobicContact CE-CB 3.7Å
230	R	96.9	Very high	95.4	Very high	115 Å²	115	52.8 Å²	52.8	43%	0.434	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	144.5	172.3	-65.6	-172.4	-65.9	128.3	8.7	109.9	E232 V233 M234	R230-E232 VanDerWaalsContact C-N 3.28Å; R230-E232 HydrophobicContact CB-CG 4.48Å; R230-E232 IonicContact CZ-OE1 2.73Å; R230-E232 IonicContact NH1-OE1 3.92Å; R230-E232 PolarHBondContact NH1-OE1 2.96Å; R230-E232 IonicContact NH1-OE2 3.56Å; R230-E232 IonicContact NH2-OE1 2.71Å; R230-E232 PolarHBondContact NH2-OE1 3.26Å; R230-E232 PolarHBondContact O-N 3.2Å; R230-V233 HydrophobicContact CB-CG2 4.41Å; R230-V233 PolarHBondContact O-N 3.27Å; R230-M234 PolarHBondContact O-N 3.28Å
231	K	95.2	Very high	94.6	Very high	77 Å²	77	54.9 Å²	54.9	34%	0.335	27%	0.273	S	S	.	.	H	α-helix	trans	-47.3	-48.3	179.7	-175.7	172.3	-170.8	171.3	0	113.1	V233 M234 Q235 E265 Y267	K231-V233 VanDerWaalsContact C-N 3.25Å; K231-V233 PolarHBondContact O-N 2.84Å; K231-M234 PolarHBondContact O-N 3.36Å; K231-Q235 VanDerWaalsContact O-CG 3.3Å; K231-Q235 WeakPolarHBondContact O-CG 3.35Å; K231-Q235 PolarHBondContact O-N 3.5Å; K231-E265 HydrophobicContact CD-CB 4.43Å; K231-E265 WeakPolarHBondContact CD-OE2 3.49Å; K231-E265 PolarHBondContact N-O 3.12Å; K231-E265 IonicContact NZ-OE2 3.82Å; K231-E265 PolarHBondContact NZ-OE2 3.42Å; K231-Y267 HydrophobicContact CB-CD2 4.33Å; K231-Y267 HydrophobicContact CB-CE2 3.85Å; K231-Y267 HydrophobicContact CD-CE2 4.23Å; K231-Y267 HydrophobicContact CG-CE2 3.78Å
232	E	94.3	Very high	93.7	Very high	91 Å²	91	52.8 Å²	52.8	43%	0.425	26%	0.258	S	S	.	.	H	α-helix	trans	-58.8	-36	-178.3	75.3	177.6	-157.9	0	0	113	R230 R281	R230-E232 VanDerWaalsContact C-N 3.28Å; R230-E232 HydrophobicContact CB-CG 4.48Å; R230-E232 IonicContact CZ-OE1 2.73Å; R230-E232 IonicContact NH1-OE1 3.92Å; R230-E232 PolarHBondContact NH1-OE1 2.96Å; R230-E232 IonicContact NH1-OE2 3.56Å; R230-E232 IonicContact NH2-OE1 2.71Å; R230-E232 PolarHBondContact NH2-OE1 3.26Å; R230-E232 PolarHBondContact O-N 3.2Å; E232-R281 IonicContact OE1-NH1 3.59Å
233	V	96.4	Very high	93	Very high	17 Å²	17	50.4 Å²	50.4	10%	0.103	24%	0.239	C	C	.	.	H	α-helix	trans	-84.7	-39.1	-176.9	-170.5	0	0	0	0	109.7	M229 R230 K231 Q235 E236 A278	M229-V233 HydrophobicContact CE-CB 4.27Å; M229-V233 HydrophobicContact CE-CG1 3.65Å; R230-V233 HydrophobicContact CB-CG2 4.41Å; R230-V233 PolarHBondContact O-N 3.27Å; K231-V233 VanDerWaalsContact C-N 3.25Å; K231-V233 PolarHBondContact O-N 2.84Å; V233-Q235 VanDerWaalsContact C-N 3.27Å; V233-Q235 PolarHBondContact O-N 3.27Å; V233-E236 WeakPolarHBondContact O-CB 3.34Å; V233-E236 PolarHBondContact O-N 3.25Å; V233-A278 HydrophobicContact CG1-CB 3.57Å
234	M	96.8	Very high	92.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.9	-40	176	-174.3	58.6	88.1	0	0	111.4	M229 R230 K231 E236 V237 A238 F243 L247 Y267 I269 Q274	M229-M234 HydrophobicContact CB-CB 4.37Å; M229-M234 HydrophobicContact CB-CE 4.03Å; M229-M234 HydrophobicContact CG-CE 4.23Å; M229-M234 HydrophobicContact SD-CE 3.88Å; M229-M234 HydrophobicContact SD-SD 4.25Å; R230-M234 PolarHBondContact O-N 3.28Å; K231-M234 PolarHBondContact O-N 3.36Å; M234-E236 PolarHBondContact O-N 3.47Å; M234-E236 VanDerWaalsContact O-N 3.09Å; M234-V237 WeakPolarHBondContact O-CG2 3.35Å; M234-V237 PolarHBondContact O-N 2.76Å; M234-V237 VanDerWaalsContact O-N 3.08Å; M234-V237 HydrophobicContact SD-CG2 4.01Å; M234-A238 HydrophobicContact CG-CB 4.2Å; M234-A238 WeakPolarHBondContact O-CB 3.48Å; M234-A238 PolarHBondContact O-N 3.03Å; M234-A238 HydrophobicContact SD-CB 3.98Å; M234-F243 HydrophobicContact CB-CE1 4.43Å; M234-F243 HydrophobicContact CB-CZ 4.12Å; M234-F243 HydrophobicContact CG-CE1 3.97Å; M234-F243 HydrophobicContact CG-CZ 3.69Å; M234-L247 HydrophobicContact CE-CD1 4.37Å; M234-L247 HydrophobicContact CE-CD2 4.15Å; M234-L247 HydrophobicContact CG-CD1 3.75Å; M234-L247 HydrophobicContact SD-CD1 3.95Å; M234-L247 HydrophobicContact SD-CD2 4.46Å; M234-Y267 HydrophobicContact CB-CD2 4.49Å; M234-Y267 HydrophobicContact CG-CG 4.41Å; M234-I269 HydrophobicContact CE-CG2 4.36Å; M234-Q274 HydrophobicContact SD-CB 4.48Å; M234-Q274 HydrophobicContact SD-CG 4.35Å
235	Q	93.5	Very high	91.4	Very high	82 Å²	82	52.1 Å²	52.1	38%	0.383	26%	0.256	S	S	.	.	H	α-helix	trans	-63.2	-15.2	177.2	-73.8	176.4	-36.4	0	0	114.2	K231 V233 F243 R405	K231-Q235 VanDerWaalsContact O-CG 3.3Å; K231-Q235 WeakPolarHBondContact O-CG 3.35Å; K231-Q235 PolarHBondContact O-N 3.5Å; V233-Q235 VanDerWaalsContact C-N 3.27Å; V233-Q235 PolarHBondContact O-N 3.27Å; Q235-F243 HydrophobicContact CB-CZ 4.26Å; Q235-F243 HydrophobicContact CG-CE1 4.22Å; Q235-F243 HydrophobicContact CG-CE2 4.04Å; Q235-F243 HydrophobicContact CG-CZ 3.48Å; Q235-F243 VanDerWaalsContact CG-CZ 3.48Å; Q235-R405 PolarHBondContact O-NH2 3.19Å
236	E	94.6	Very high	90.9	Very high	22 Å²	22	53.6 Å²	53.6	10%	0.103	26%	0.262	C	S	.	.	H	α-helix	trans	-86.1	-24.8	176.6	-66.3	-175.8	173.6	0	0	112.8	M1 V233 M234 R281 R405 L406	M1-E236 WeakPolarHBondContact CG-O 3.33Å; M1-E236 PolarHBondContact N-O 3.14Å; V233-E236 WeakPolarHBondContact O-CB 3.34Å; V233-E236 PolarHBondContact O-N 3.25Å; M234-E236 PolarHBondContact O-N 3.47Å; M234-E236 VanDerWaalsContact O-N 3.09Å; E236-R281 VanDerWaalsContact CD-NH2 3.34Å; E236-R281 IonicContact OE1-CZ 3.39Å; E236-R281 IonicContact OE1-NE 3.64Å; E236-R281 IonicContact OE1-NH2 3Å; E236-R281 PolarHBondContact OE1-NH2 2.95Å; E236-R281 WeakPolarHBondContact OE2-CD 3.27Å; E236-R281 IonicContact OE2-CZ 3.12Å; E236-R281 IonicContact OE2-NE 2.63Å; E236-R281 PolarHBondContact OE2-NE 3.3Å; E236-R281 IonicContact OE2-NH2 3.89Å; E236-R281 PolarHBondContact OE2-NH2 3Å; E236-R405 HydrophobicContact CB-CG 3.87Å; E236-R405 HydrophobicContact CG-CG 4.11Å; E236-R405 WeakPolarHBondContact O-CG 3.4Å; E236-L406 HydrophobicContact CB-CD2 3.9Å; E236-L406 HydrophobicContact CB-CG 4.46Å
237	V	94.4	Very high	90.7	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.03	24%	0.238	C	C	.	.	H	α-helix	trans	-114.6	-13.4	-174.5	-60.9	0	0	0	0	114.7	M1 M229 M234 Q274 A277 A278 L406	M1-V237 WeakPolarHBondContact CE-O 3.46Å; M229-V237 HydrophobicContact CE-CG2 3.91Å; M229-V237 HydrophobicContact SD-CG2 4.42Å; M234-V237 WeakPolarHBondContact O-CG2 3.35Å; M234-V237 PolarHBondContact O-N 2.76Å; M234-V237 VanDerWaalsContact O-N 3.08Å; M234-V237 HydrophobicContact SD-CG2 4.01Å; V237-Q274 HydrophobicContact CG2-CB 3.84Å; V237-Q274 HydrophobicContact CG2-CG 4.07Å; V237-A277 HydrophobicContact CG1-CB 3.97Å; V237-A278 HydrophobicContact CG1-CB 4.44Å; V237-L406 HydrophobicContact CG1-CD1 3.81Å; V237-L406 HydrophobicContact CG1-CD2 3.87Å; V237-L406 HydrophobicContact CG1-CG 4.17Å
238	A	91.4	Very high	90.6	Very high	5 Å²	5	51.2 Å²	51.2	4%	0.041	24%	0.242	C	C	.	.	S	Bend	trans	-111.5	152.7	175.5	0	0	0	0	0	112.1	M234 Q242 F243 L247	M234-A238 HydrophobicContact CG-CB 4.2Å; M234-A238 WeakPolarHBondContact O-CB 3.48Å; M234-A238 PolarHBondContact O-N 3.03Å; M234-A238 HydrophobicContact SD-CB 3.98Å; A238-Q242 HydrophobicContact CB-CB 4.46Å; A238-F243 HydrophobicContact CB-CE2 3.92Å; A238-F243 HydrophobicContact CB-CZ 4.45Å; A238-L247 HydrophobicContact CB-CD1 3.97Å
239	Q	85.4	Confident	90.6	Very high	20 Å²	20	51.4 Å²	51.4	9%	0.093	24%	0.243	C	C	.	.			trans	-83.5	160.4	170.3	-65.1	166.9	28.4	0	0	110.2	M1 S241 Q242 F243 H371	M1-Q239 HydrophobicContact CE-CG 3.78Å; Q239-S241 PolarHBondContact O-N 2.72Å; Q239-Q242 HydrophobicContact CB-CG 4.21Å; Q239-Q242 WeakPolarHBondContact O-CB 3.19Å; Q239-Q242 PolarHBondContact O-N 3.14Å; Q239-F243 WeakPolarHBondContact O-CD2 3.31Å; Q239-H371 HydrophobicContact CG-CB 4.35Å
240	L	79	Confident	90.5	Very high	65 Å²	65	53 Å²	53	34%	0.34	25%	0.254	S	S	.	.	H	α-helix	trans	-60.9	-46.1	-179.8	-81.5	-167.4	0	0	0	113.1	R133 Q242 F243	R133-L240 VanDerWaalsContact CZ-CG 3.4Å; R133-L240 VanDerWaalsContact NE-CG 3.32Å; L240-Q242 PolarHBondContact O-N 2.81Å; L240-Q242 VanDerWaalsContact O-N 3.11Å; L240-F243 WeakPolarHBondContact O-CB 3.29Å; L240-F243 PolarHBondContact O-N 3.27Å
241	S	81.3	Confident	90.5	Very high	48 Å²	48	51.7 Å²	51.7	34%	0.336	25%	0.254	S	S	.	.	H	α-helix	trans	-54.2	-33.8	178.3	51.3	0	0	0	0	112.1	Q239 F243 D244 E245	Q239-S241 PolarHBondContact O-N 2.72Å; S241-F243 VanDerWaalsContact C-N 3.3Å; S241-F243 PolarHBondContact O-N 3.39Å; S241-D244 PolarHBondContact O-N 2.64Å; S241-D244 VanDerWaalsContact O-N 3.17Å; S241-E245 WeakPolarHBondContact O-CB 3.34Å; S241-E245 WeakPolarHBondContact O-CG 3.43Å; S241-E245 PolarHBondContact O-N 2.9Å
242	Q	80.7	Confident	90.3	Very high	35 Å²	35	49.3 Å²	49.3	16%	0.164	25%	0.251	C	S	.	.	H	α-helix	trans	-66.7	-28.9	177.4	-60.6	-176.5	-74.8	0	0	112.9	A238 Q239 L240 D244 E246 L247	A238-Q242 HydrophobicContact CB-CB 4.46Å; Q239-Q242 HydrophobicContact CB-CG 4.21Å; Q239-Q242 WeakPolarHBondContact O-CB 3.19Å; Q239-Q242 PolarHBondContact O-N 3.14Å; L240-Q242 PolarHBondContact O-N 2.81Å; L240-Q242 VanDerWaalsContact O-N 3.11Å; Q242-D244 VanDerWaalsContact C-N 3.28Å; Q242-D244 PolarHBondContact O-N 3.42Å; Q242-E246 HydrophobicContact CB-CB 4.26Å; Q242-E246 PolarHBondContact NE2-OE2 3.41Å; Q242-E246 CarbonylContact O-C 3.6Å; Q242-E246 WeakPolarHBondContact O-CA 3.32Å; Q242-E246 WeakPolarHBondContact O-CB 3.36Å; Q242-E246 PolarHBondContact O-N 2.96Å; Q242-L247 WeakPolarHBondContact O-CG 3.45Å; Q242-L247 PolarHBondContact O-N 2.85Å
243	F	82.9	Confident	90.1	Very high	30 Å²	30	50.2 Å²	50.2	13%	0.132	25%	0.254	C	S	.	.	H	α-helix	trans	-66.3	-33.5	174.1	-77.6	-92.6	0	0	0	112.4	M234 Q235 A238 Q239 L240 S241 L247 Y267	M234-F243 HydrophobicContact CB-CE1 4.43Å; M234-F243 HydrophobicContact CB-CZ 4.12Å; M234-F243 HydrophobicContact CG-CE1 3.97Å; M234-F243 HydrophobicContact CG-CZ 3.69Å; Q235-F243 HydrophobicContact CB-CZ 4.26Å; Q235-F243 HydrophobicContact CG-CE1 4.22Å; Q235-F243 HydrophobicContact CG-CE2 4.04Å; Q235-F243 HydrophobicContact CG-CZ 3.48Å; Q235-F243 VanDerWaalsContact CG-CZ 3.48Å; A238-F243 HydrophobicContact CB-CE2 3.92Å; A238-F243 HydrophobicContact CB-CZ 4.45Å; Q239-F243 WeakPolarHBondContact O-CD2 3.31Å; L240-F243 WeakPolarHBondContact O-CB 3.29Å; L240-F243 PolarHBondContact O-N 3.27Å; S241-F243 VanDerWaalsContact C-N 3.3Å; S241-F243 PolarHBondContact O-N 3.39Å; F243-L247 HydrophobicContact CD1-CD1 4.18Å; F243-L247 HydrophobicContact CD2-CD1 4.39Å; F243-L247 HydrophobicContact CE1-CD1 4.26Å; F243-L247 HydrophobicContact CE2-CD1 4.47Å; F243-L247 HydrophobicContact CG-CD1 4.24Å; F243-L247 HydrophobicContact CZ-CD1 4.4Å; F243-Y267 HydrophobicContact CD1-CD1 4.04Å; F243-Y267 AromaticContact CD1-CE1 3.59Å; F243-Y267 HydrophobicContact CD1-CE1 3.59Å; F243-Y267 HydrophobicContact CD1-CE2 4.26Å; F243-Y267 AromaticContact CD1-CZ 3.73Å; F243-Y267 HydrophobicContact CE1-CD1 4.19Å; F243-Y267 HydrophobicContact CE1-CD2 4.03Å; F243-Y267 AromaticContact CE1-CE1 3.98Å; F243-Y267 HydrophobicContact CE1-CE1 3.98Å; F243-Y267 AromaticContact CE1-CE2 3.86Å; F243-Y267 HydrophobicContact CE1-CE2 3.86Å; F243-Y267 HydrophobicContact CE1-CG 4.22Å; F243-Y267 AromaticContact CE1-CZ 3.82Å
244	D	80.8	Confident	89.3	Confident	124 Å²	124	51.4 Å²	51.4	66%	0.663	27%	0.27	S	S	*	.	H	α-helix	trans	-88	-33.2	-177.6	-63.7	-36.9	0	0	0	112	S241 Q242	S241-D244 PolarHBondContact O-N 2.64Å; S241-D244 VanDerWaalsContact O-N 3.17Å; Q242-D244 VanDerWaalsContact C-N 3.28Å; Q242-D244 PolarHBondContact O-N 3.42Å
245	E	84.6	Confident	88.9	Confident	106 Å²	106	53 Å²	53	50%	0.495	28%	0.281	S	S	.	.	H	α-helix	trans	-109	-25.8	-168.4	-62	176.4	-178.2	0	0	115	S241 V305	S241-E245 WeakPolarHBondContact O-CB 3.34Å; S241-E245 WeakPolarHBondContact O-CG 3.43Å; S241-E245 PolarHBondContact O-N 2.9Å; E245-V305 HydrophobicContact CB-CB 4.26Å; E245-V305 WeakPolarHBondContact O-CB 3.38Å; E245-V305 WeakPolarHBondContact O-CG2 3.21Å; E245-V305 PolarHBondContact O-N 3.04Å
246	E	87.1	Confident	88.6	Confident	36 Å²	36	59 Å²	59	17%	0.168	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-39.3	-167.7	-160.7	176	-179.7	0	0	113.4	Q242 A270 R302 Q303	Q242-E246 HydrophobicContact CB-CB 4.26Å; Q242-E246 PolarHBondContact NE2-OE2 3.41Å; Q242-E246 CarbonylContact O-C 3.6Å; Q242-E246 WeakPolarHBondContact O-CA 3.32Å; Q242-E246 WeakPolarHBondContact O-CB 3.36Å; Q242-E246 PolarHBondContact O-N 2.96Å; E246-A270 HydrophobicContact CG-CB 3.92Å; E246-A270 WeakPolarHBondContact OE1-CB 3.47Å; E246-R302 HydrophobicContact CG-CB 4.29Å; E246-R302 HydrophobicContact CG-CG 3.99Å; E246-R302 CarbonylContact O-C 3.52Å; E246-R302 WeakPolarHBondContact O-CA 3.41Å; E246-R302 WeakPolarHBondContact OE1-CD 3.43Å; E246-R302 IonicContact OE1-CZ 3.18Å; E246-R302 IonicContact OE1-NE 3.78Å; E246-R302 PolarHBondContact OE1-NE 3.37Å; E246-R302 VanDerWaalsContact OE1-NE 3.17Å; E246-R302 IonicContact OE1-NH1 3.71Å; E246-R302 IonicContact OE1-NH2 2.67Å; E246-Q303 PolarHBondContact O-N 3.08Å
247	L	94.4	Very high	88.3	Confident	2 Å²	2	64.5 Å²	64.5	1%	0.01	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-94.5	121.2	-166.1	-62.1	176.7	0	0	0	114.2	M234 A238 Q242 F243 Y267 A270 Q303	M234-L247 HydrophobicContact CE-CD1 4.37Å; M234-L247 HydrophobicContact CE-CD2 4.15Å; M234-L247 HydrophobicContact CG-CD1 3.75Å; M234-L247 HydrophobicContact SD-CD1 3.95Å; M234-L247 HydrophobicContact SD-CD2 4.46Å; A238-L247 HydrophobicContact CB-CD1 3.97Å; Q242-L247 WeakPolarHBondContact O-CG 3.45Å; Q242-L247 PolarHBondContact O-N 2.85Å; F243-L247 HydrophobicContact CD1-CD1 4.18Å; F243-L247 HydrophobicContact CD2-CD1 4.39Å; F243-L247 HydrophobicContact CE1-CD1 4.26Å; F243-L247 HydrophobicContact CE2-CD1 4.47Å; F243-L247 HydrophobicContact CG-CD1 4.24Å; F243-L247 HydrophobicContact CZ-CD1 4.4Å; L247-Y267 HydrophobicContact CB-CD1 4Å; L247-A270 HydrophobicContact CD2-CB 3.92Å; L247-Q303 PolarHBondContact O-OE1 2.89Å; L247-Q303 VanDerWaalsContact O-OE1 3.1Å
248	Y	97.1	Very high	88	Confident	74 Å²	74	69.9 Å²	69.9	29%	0.29	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-70.9	131.5	167.7	-76.3	-87	0	0	0	111.8	Y267 L268 F301 Q303 H319	Y248-Y267 CarbonylContact O-C 3.43Å; Y248-Y267 VanDerWaalsContact O-CA 3.29Å; Y248-Y267 WeakPolarHBondContact O-CA 3.5Å; Y248-L268 PolarHBondContact O-N 2.97Å; Y248-F301 HydrophobicContact CD2-CB 4.02Å; Y248-Q303 HydrophobicContact CD1-CG 3.97Å; Y248-Q303 HydrophobicContact CD2-CG 3.65Å; Y248-Q303 HydrophobicContact CE1-CG 3.92Å; Y248-Q303 HydrophobicContact CE2-CB 4.26Å; Y248-Q303 HydrophobicContact CE2-CG 3.62Å; Y248-Q303 HydrophobicContact CG-CG 3.84Å; Y248-H319 HydrophobicContact CE2-CB 4.39Å; Y248-H319 PolarHBondContact OH-ND1 2.92Å
249	K	97.3	Very high	87.9	Confident	110 Å²	110	75.9 Å²	75.9	48%	0.478	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	135	172.5	-170.4	168.6	70.3	163.9	0	111.7	I251 E265 Y267	K249-I251 HydrophobicContact CD-CD1 3.97Å; K249-I251 HydrophobicContact CG-CD1 3.99Å; K249-E265 HydrophobicContact CD-CG 4.5Å; K249-E265 IonicContact NZ-OE1 3.01Å; K249-E265 PolarHBondContact NZ-OE1 2.92Å; K249-Y267 HydrophobicContact CB-CD1 4.24Å; K249-Y267 HydrophobicContact CB-CE1 3.91Å; K249-Y267 HydrophobicContact CD-CE1 4.25Å; K249-Y267 HydrophobicContact CG-CE1 4.01Å
250	V	96.6	Very high	88.1	Confident	50 Å²	50	77 Å²	77	30%	0.303	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	127.9	175	-178.4	0	0	0	0	108.8	K266 L268	V250-K266 HydrophobicContact CB-CB 4.25Å; V250-K266 PolarHBondContact N-O 2.95Å; V250-K266 PolarHBondContact O-N 2.66Å; V250-L268 HydrophobicContact CG2-CD1 4.36Å; V250-L268 HydrophobicContact CG2-CD2 3.9Å; V250-L268 HydrophobicContact CG2-CG 3.64Å
251	I	95.8	Very high	88.6	Confident	87 Å²	87	78.9 Å²	78.9	45%	0.446	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	118.1	176.2	-55.3	-59.5	0	0	0	108.4	K249 Y263 E265	K249-I251 HydrophobicContact CD-CD1 3.97Å; K249-I251 HydrophobicContact CG-CD1 3.99Å; I251-Y263 HydrophobicContact CG2-CD1 3.69Å; I251-Y263 HydrophobicContact CG2-CE1 4.47Å; I251-Y263 HydrophobicContact CG2-CG 4.22Å; I251-E265 HydrophobicContact CD1-CB 4.35Å; I251-E265 HydrophobicContact CD1-CG 3.75Å
252	G	91.1	Very high	89.1	Confident	26 Å²	26	79.2 Å²	79.2	27%	0.268	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	169.3	173.1	0	0	0	0	0	111.2	Y263 D264	G252-Y263 CarbonylContact O-C 3.55Å; G252-Y263 VanDerWaalsContact O-CA 3.32Å; G252-Y263 WeakPolarHBondContact O-CA 3.38Å; G252-D264 PolarHBondContact N-O 3.38Å; G252-D264 VanDerWaalsContact N-O 3.08Å; G252-D264 PolarHBondContact O-N 3.45Å
253	K	91	Very high	89.6	Confident	111 Å²	111	85.5 Å²	85.5	48%	0.483	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	143.1	165.4	-74.9	-147.7	170.6	-159.7	0	110.1	S255 D260	K253-S255 WeakPolarHBondContact CB-O 3.14Å; K253-S255 PolarHBondContact O-N 2.87Å; K253-D260 PolarHBondContact NZ-O 3.01Å
254	G	80.3	Confident	90.1	Very high	42 Å²	42	86.6 Å²	86.6	43%	0.433	46%	0.46	S	S	.	.	S	Bend	trans	-71.2	-18.8	177.8	0	0	0	0	0	113.6	S262	G254-S262 PolarHBondContact N-O 2.83Å
255	S	87.1	Confident	90.7	Very high	34 Å²	34	83.2 Å²	83.2	24%	0.238	44%	0.44	C	S	.	.	S	Bend	trans	-143.4	151.3	178.4	175.7	0	0	0	0	110.4	K253 K257 D260	K253-S255 WeakPolarHBondContact CB-O 3.14Å; K253-S255 PolarHBondContact O-N 2.87Å; S255-K257 PolarHBondContact O-N 3.3Å; S255-K257 WeakPolarHBondContact OG-CG 3.36Å; S255-K257 PolarHBondContact OG-N 2.87Å; S255-D260 VanDerWaalsContact CB-CG 3.48Å
256	E	88.7	Confident	91.3	Very high	207 Å²	207	80.3 Å²	80.3	97%	0.967	43%	0.426	S	S	*	.	S	Bend	trans	-75.8	-1.8	173.7	-64.7	177	-168.5	0	0	112.6
257	K	88.3	Confident	91.8	Very high	137 Å²	137	79.5 Å²	79.5	60%	0.596	42%	0.421	S	S	*	.	S	Bend	trans	-79.2	140.4	178.4	-57	179.6	177.4	179.9	0	111.7	S255 D259 D260	S255-K257 PolarHBondContact O-N 3.3Å; S255-K257 WeakPolarHBondContact OG-CG 3.36Å; S255-K257 PolarHBondContact OG-N 2.87Å; K257-D259 VanDerWaalsContact C-N 3.3Å; K257-D259 WeakPolarHBondContact CB-OD1 3.38Å; K257-D259 PolarHBondContact O-N 3.22Å; K257-D260 HydrophobicContact CB-CB 4.41Å; K257-D260 PolarHBondContact O-N 3.18Å
258	S	86.6	Confident	92	Very high	119 Å²	119	81 Å²	81	83%	0.832	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-29.9	-177.5	50.2	0	0	0	0	113.6	D260	S258-D260 VanDerWaalsContact C-N 3.33Å
259	D	91.1	Very high	92.1	Very high	130 Å²	130	77.5 Å²	77.5	70%	0.695	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-12.5	178.6	60.4	-25.9	0	0	0	113.5	K257 S261	K257-D259 VanDerWaalsContact C-N 3.3Å; K257-D259 WeakPolarHBondContact CB-OD1 3.38Å; K257-D259 PolarHBondContact O-N 3.22Å; D259-S261 PolarHBondContact O-N 3.39Å
260	D	88.4	Confident	92.1	Very high	45 Å²	45	72.3 Å²	72.3	24%	0.241	39%	0.393	C	S	.	.			trans	-79.7	122.7	178.2	-164.1	-79.3	0	0	0	111.4	K253 S255 K257 S258 S262	K253-D260 PolarHBondContact NZ-O 3.01Å; S255-D260 VanDerWaalsContact CB-CG 3.48Å; K257-D260 HydrophobicContact CB-CB 4.41Å; K257-D260 PolarHBondContact O-N 3.18Å; S258-D260 VanDerWaalsContact C-N 3.33Å; D260-S262 WeakPolarHBondContact OD1-CA 3.26Å; D260-S262 VanDerWaalsContact OD1-CB 3.26Å; D260-S262 WeakPolarHBondContact OD1-CB 3.42Å; D260-S262 PolarHBondContact OD1-N 3.21Å; D260-S262 PolarHBondContact OD1-OG 2.94Å
261	S	89.3	Confident	92.2	Very high	104 Å²	104	70.3 Å²	70.3	73%	0.727	38%	0.381	S	S	*	.			trans	-103.5	4.2	177.3	59.6	0	0	0	0	113.1	D259	D259-S261 PolarHBondContact O-N 3.39Å
262	S	92.6	Very high	92.3	Very high	55 Å²	55	66.1 Å²	66.1	39%	0.385	36%	0.359	S	S	.	.			trans	-77.6	149.3	178.5	78.4	0	0	0	0	111	G254 D260	G254-S262 PolarHBondContact N-O 2.83Å; D260-S262 WeakPolarHBondContact OD1-CA 3.26Å; D260-S262 VanDerWaalsContact OD1-CB 3.26Å; D260-S262 WeakPolarHBondContact OD1-CB 3.42Å; D260-S262 PolarHBondContact OD1-N 3.21Å; D260-S262 PolarHBondContact OD1-OG 2.94Å
263	Y	91.3	Very high	92.6	Very high	166 Å²	166	66.3 Å²	66.3	65%	0.651	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.2	143.1	174.7	-67.5	-84	0	0	0	109.5	I251 G252	I251-Y263 HydrophobicContact CG2-CD1 3.69Å; I251-Y263 HydrophobicContact CG2-CE1 4.47Å; I251-Y263 HydrophobicContact CG2-CG 4.22Å; G252-Y263 CarbonylContact O-C 3.55Å; G252-Y263 VanDerWaalsContact O-CA 3.32Å; G252-Y263 WeakPolarHBondContact O-CA 3.38Å
264	D	92	Very high	93	Very high	53 Å²	53	61.2 Å²	61.2	28%	0.283	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	131.7	173.3	-175.2	31.8	0	0	0	110.1	G252 K266	G252-D264 PolarHBondContact N-O 3.38Å; G252-D264 VanDerWaalsContact N-O 3.08Å; G252-D264 PolarHBondContact O-N 3.45Å; D264-K266 VanDerWaalsContact OD2-CE 3.31Å; D264-K266 WeakPolarHBondContact OD2-CE 3.34Å; D264-K266 IonicContact OD2-NZ 2.85Å; D264-K266 PolarHBondContact OD2-NZ 3.42Å
265	E	95.2	Very high	93.9	Very high	54 Å²	54	60 Å²	60	25%	0.252	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.1	178.7	-59.2	-163.4	136.8	0	0	110	K231 K249 I251	K231-E265 HydrophobicContact CD-CB 4.43Å; K231-E265 WeakPolarHBondContact CD-OE2 3.49Å; K231-E265 PolarHBondContact N-O 3.12Å; K231-E265 IonicContact NZ-OE2 3.82Å; K231-E265 PolarHBondContact NZ-OE2 3.42Å; K249-E265 HydrophobicContact CD-CG 4.5Å; K249-E265 IonicContact NZ-OE1 3.01Å; K249-E265 PolarHBondContact NZ-OE1 2.92Å; I251-E265 HydrophobicContact CD1-CB 4.35Å; I251-E265 HydrophobicContact CD1-CG 3.75Å
266	K	96.7	Very high	94.4	Very high	44 Å²	44	58.4 Å²	58.4	19%	0.191	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	167.6	171.9	-59.1	-176.3	179.9	68.3	0	109.4	F228 M229 V250 D264	F228-K266 HydrophobicContact CB-CB 4.4Å; F228-K266 HydrophobicContact CD2-CD 3.62Å; F228-K266 HydrophobicContact CE2-CD 4.06Å; F228-K266 HydrophobicContact CG-CD 4.4Å; M229-K266 CarbonylContact O-C 3.57Å; M229-K266 VanDerWaalsContact O-CA 3.23Å; M229-K266 WeakPolarHBondContact O-CA 3.48Å; M229-K266 WeakPolarHBondContact O-CB 3.07Å; V250-K266 HydrophobicContact CB-CB 4.25Å; V250-K266 PolarHBondContact N-O 2.95Å; V250-K266 PolarHBondContact O-N 2.66Å; D264-K266 VanDerWaalsContact OD2-CE 3.31Å; D264-K266 WeakPolarHBondContact OD2-CE 3.34Å; D264-K266 IonicContact OD2-NZ 2.85Å; D264-K266 PolarHBondContact OD2-NZ 3.42Å
267	Y	98.2	Very high	94.9	Very high	19 Å²	19	48.6 Å²	48.6	8%	0.075	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	135.2	177.3	-67.7	-94.3	0	0	0	109.3	F228 M229 K231 M234 F243 L247 Y248 K249	F228-Y267 CarbonylContact C-O 3.56Å; F228-Y267 WeakPolarHBondContact CA-O 3.41Å; M229-Y267 PolarHBondContact N-O 3.5Å; M229-Y267 PolarHBondContact O-N 2.91Å; K231-Y267 HydrophobicContact CB-CD2 4.33Å; K231-Y267 HydrophobicContact CB-CE2 3.85Å; K231-Y267 HydrophobicContact CD-CE2 4.23Å; K231-Y267 HydrophobicContact CG-CE2 3.78Å; M234-Y267 HydrophobicContact CB-CD2 4.49Å; M234-Y267 HydrophobicContact CG-CG 4.41Å; F243-Y267 HydrophobicContact CD1-CD1 4.04Å; F243-Y267 AromaticContact CD1-CE1 3.59Å; F243-Y267 HydrophobicContact CD1-CE1 3.59Å; F243-Y267 HydrophobicContact CD1-CE2 4.26Å; F243-Y267 AromaticContact CD1-CZ 3.73Å; F243-Y267 HydrophobicContact CE1-CD1 4.19Å; F243-Y267 HydrophobicContact CE1-CD2 4.03Å; F243-Y267 AromaticContact CE1-CE1 3.98Å; F243-Y267 HydrophobicContact CE1-CE1 3.98Å; F243-Y267 AromaticContact CE1-CE2 3.86Å; F243-Y267 HydrophobicContact CE1-CE2 3.86Å; F243-Y267 HydrophobicContact CE1-CG 4.22Å; F243-Y267 AromaticContact CE1-CZ 3.82Å; L247-Y267 HydrophobicContact CB-CD1 4Å; Y248-Y267 CarbonylContact O-C 3.43Å; Y248-Y267 VanDerWaalsContact O-CA 3.29Å; Y248-Y267 WeakPolarHBondContact O-CA 3.5Å; K249-Y267 HydrophobicContact CB-CD1 4.24Å; K249-Y267 HydrophobicContact CB-CE1 3.91Å; K249-Y267 HydrophobicContact CD-CE1 4.25Å; K249-Y267 HydrophobicContact CG-CE1 4.01Å
268	L	98.5	Very high	95.4	Very high	35 Å²	35	42.9 Å²	42.9	18%	0.183	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	145.2	169.7	-67.3	174.8	0	0	0	109.5	F227 F228 Y248 V250 F301	F227-L268 CarbonylContact O-C 3.5Å; F227-L268 VanDerWaalsContact O-CA 3.26Å; F227-L268 WeakPolarHBondContact O-CA 3.4Å; F227-L268 WeakPolarHBondContact O-CD2 3.22Å; F228-L268 HydrophobicContact CB-CD2 4.31Å; Y248-L268 PolarHBondContact O-N 2.97Å; V250-L268 HydrophobicContact CG2-CD1 4.36Å; V250-L268 HydrophobicContact CG2-CD2 3.9Å; V250-L268 HydrophobicContact CG2-CG 3.64Å; L268-F301 HydrophobicContact CB-CB 3.84Å; L268-F301 HydrophobicContact CB-CD2 3.84Å; L268-F301 HydrophobicContact CB-CG 3.95Å; L268-F301 HydrophobicContact CD1-CB 4.1Å; L268-F301 HydrophobicContact CD1-CD1 3.83Å; L268-F301 HydrophobicContact CD1-CD2 4.07Å; L268-F301 HydrophobicContact CD1-CE1 4.24Å; L268-F301 HydrophobicContact CD1-CE2 4.47Å; L268-F301 HydrophobicContact CD1-CG 3.72Å; L268-F301 HydrophobicContact CD2-CD2 4.26Å; L268-F301 HydrophobicContact CD2-CE2 4.28Å; L268-F301 HydrophobicContact CG-CD2 4.27Å; L268-F301 HydrophobicContact CG-CG 4.33Å
269	I	98.4	Very high	95.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.216	C	C	.	.			trans	-75.6	138.4	-179	65.9	174.6	0	0	0	110.7	F227 M229 M234 Q274 P275 F301	F227-I269 HydrophobicContact CD1-CD1 4.15Å; F227-I269 PolarHBondContact O-N 3.43Å; M229-I269 HydrophobicContact CG-CG2 3.84Å; M229-I269 HydrophobicContact SD-CG2 3.95Å; M234-I269 HydrophobicContact CE-CG2 4.36Å; I269-Q274 VanDerWaalsContact CA-OE1 3.25Å; I269-P275 HydrophobicContact CD1-CG 4.09Å; I269-P275 HydrophobicContact CG2-CG 4.21Å; I269-F301 PolarHBondContact O-N 3.36Å
270	A	97.4	Very high	96.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-86.7	-13.9	170.3	0	0	0	0	0	112.5	E246 L247 C300 F301 R302	E246-A270 HydrophobicContact CG-CB 3.92Å; E246-A270 WeakPolarHBondContact OE1-CB 3.47Å; L247-A270 HydrophobicContact CD2-CB 3.92Å; A270-C300 WeakPolarHBondContact O-CB 3.36Å; A270-F301 WeakPolarHBondContact CA-O 3.43Å; A270-R302 HydrophobicContact CB-CG 4.12Å; A270-R302 PolarHBondContact O-NE 3.25Å
271	T	98	Very high	96.7	Very high	8 Å²	8	36.5 Å²	36.5	5%	0.049	19%	0.187	C	C	.	.	S	Bend	trans	-166	150.3	176.9	176.3	0	0	0	0	110.5	E273 Q274 P275 K323	T271-E273 HydrophobicContact CG2-CB 3.58Å; T271-E273 PolarHBondContact O-N 2.78Å; T271-E273 PolarHBondContact OG1-N 2.85Å; T271-Q274 HydrophobicContact CG2-CG 4.08Å; T271-Q274 PolarHBondContact O-N 2.88Å; T271-P275 WeakPolarHBondContact O-CD 3.03Å; T271-K323 WeakPolarHBondContact OG1-CE 3.45Å; T271-K323 PolarHBondContact OG1-NZ 2.87Å
272	S	98.1	Very high	97.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-17.8	169.8	46.9	0	0	0	0	114	Q274 P275 I276 S298 E325	S272-Q274 VanDerWaalsContact C-N 3.26Å; S272-Q274 PolarHBondContact O-N 3.02Å; S272-P275 VanDerWaalsContact O-CD 3.24Å; S272-P275 WeakPolarHBondContact O-CD 3.47Å; S272-P275 WeakPolarHBondContact O-CG 3.36Å; S272-I276 WeakPolarHBondContact O-CB 3.29Å; S272-I276 WeakPolarHBondContact O-CD1 3.3Å; S272-I276 WeakPolarHBondContact O-CG1 3.25Å; S272-I276 PolarHBondContact O-N 2.76Å; S272-S298 WeakPolarHBondContact CB-OG 3.15Å; S272-S298 PolarHBondContact N-OG 2.94Å; S272-E325 WeakPolarHBondContact OG-CB 3.37Å
273	E	98.1	Very high	97.3	Very high	29 Å²	29	35.8 Å²	35.8	14%	0.136	17%	0.169	C	C	.	.	H	α-helix	trans	-50.7	-45.8	170.2	-172.9	-160	153.9	0	0	111.8	T271 I276 A277 F327 Q402 N451	T271-E273 HydrophobicContact CG2-CB 3.58Å; T271-E273 PolarHBondContact O-N 2.78Å; T271-E273 PolarHBondContact OG1-N 2.85Å; E273-I276 PolarHBondContact O-N 2.86Å; E273-A277 WeakPolarHBondContact O-CB 3.42Å; E273-A277 PolarHBondContact O-N 2.97Å; E273-F327 HydrophobicContact CB-CD2 4.33Å; E273-F327 HydrophobicContact CB-CE2 4.42Å; E273-F327 HydrophobicContact CG-CD2 3.78Å; E273-F327 HydrophobicContact CG-CE2 3.48Å; E273-F327 VanDerWaalsContact CG-CE2 3.48Å; E273-Q402 PolarHBondContact OE1-NE2 2.87Å; E273-N451 HydrophobicContact CB-CB 4.49Å; E273-N451 VanDerWaalsContact CD-CG 3.46Å; E273-N451 HydrophobicContact CG-CB 3.73Å; E273-N451 PolarHBondContact OE1-ND2 3.39Å
274	Q	98.4	Very high	97.5	Very high	5 Å²	5	31.9 Å²	31.9	2%	0.023	15%	0.153	C	C	.	.	H	α-helix	trans	-60.2	-55	-174.7	-68.1	165.2	-25.8	0	0	112.7	M229 M234 V237 I269 T271 S272 A278	M229-Q274 HydrophobicContact SD-CB 3.65Å; M234-Q274 HydrophobicContact SD-CB 4.48Å; M234-Q274 HydrophobicContact SD-CG 4.35Å; V237-Q274 HydrophobicContact CG2-CB 3.84Å; V237-Q274 HydrophobicContact CG2-CG 4.07Å; I269-Q274 VanDerWaalsContact CA-OE1 3.25Å; T271-Q274 HydrophobicContact CG2-CG 4.08Å; T271-Q274 PolarHBondContact O-N 2.88Å; S272-Q274 VanDerWaalsContact C-N 3.26Å; S272-Q274 PolarHBondContact O-N 3.02Å; Q274-A278 PolarHBondContact O-N 3.34Å
275	P	98.7	Very high	97.7	Very high	16 Å²	16	29.8 Å²	29.8	10%	0.104	14%	0.141	C	C	.	.	H	α-helix	trans	-70	-32.1	176.8	26.3	-35	0	0	0	112.8	T225 M229 I269 T271 S272 A278 L279	T225-P275 HydrophobicContact CG2-CB 4.37Å; T225-P275 HydrophobicContact CG2-CG 3.85Å; M229-P275 HydrophobicContact SD-CB 4.12Å; I269-P275 HydrophobicContact CD1-CG 4.09Å; I269-P275 HydrophobicContact CG2-CG 4.21Å; T271-P275 WeakPolarHBondContact O-CD 3.03Å; S272-P275 VanDerWaalsContact O-CD 3.24Å; S272-P275 WeakPolarHBondContact O-CD 3.47Å; S272-P275 WeakPolarHBondContact O-CG 3.36Å; P275-A278 PolarHBondContact O-N 3.04Å; P275-L279 PolarHBondContact O-N 3.44Å
276	I	98.8	Very high	97.6	Very high	1 Å²	1	32 Å²	32	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-69.7	-40.8	178.1	-64.5	167.1	0	0	0	110.9	I223 T225 S272 E273 A278 L279 Y294 F327 Y329	I223-I276 HydrophobicContact CG2-CD1 3.71Å; I223-I276 HydrophobicContact CG2-CG1 4.07Å; T225-I276 HydrophobicContact CG2-CD1 4.16Å; T225-I276 HydrophobicContact CG2-CG1 3.77Å; S272-I276 WeakPolarHBondContact O-CB 3.29Å; S272-I276 WeakPolarHBondContact O-CD1 3.3Å; S272-I276 WeakPolarHBondContact O-CG1 3.25Å; S272-I276 PolarHBondContact O-N 2.76Å; E273-I276 PolarHBondContact O-N 2.86Å; I276-A278 VanDerWaalsContact C-N 3.28Å; I276-A278 PolarHBondContact O-N 3.21Å; I276-L279 WeakPolarHBondContact O-CB 3.44Å; I276-L279 PolarHBondContact O-N 2.74Å; I276-L279 VanDerWaalsContact O-N 3.11Å; I276-Y294 HydrophobicContact CG2-CD2 3.78Å; I276-Y294 HydrophobicContact CG2-CG 4.19Å; I276-F327 HydrophobicContact CB-CB 4.49Å; I276-F327 HydrophobicContact CB-CD2 4.43Å; I276-F327 HydrophobicContact CB-CG 4.21Å; I276-F327 HydrophobicContact CD1-CB 4.39Å; I276-F327 HydrophobicContact CG2-CB 3.8Å; I276-F327 HydrophobicContact CG2-CD1 3.54Å; I276-F327 HydrophobicContact CG2-CD2 4.24Å; I276-F327 HydrophobicContact CG2-CE1 4.22Å; I276-F327 HydrophobicContact CG2-CG 3.56Å; I276-Y329 HydrophobicContact CG2-CE2 4.44Å; I276-Y329 PolarHBondContact O-OH 3.35Å
277	A	98.4	Very high	97.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-58.5	-42.7	172.8	0	0	0	0	0	110.9	V237 E273 L279 F327 Y329 L406 I408 M449	V237-A277 HydrophobicContact CG1-CB 3.97Å; E273-A277 WeakPolarHBondContact O-CB 3.42Å; E273-A277 PolarHBondContact O-N 2.97Å; A277-L279 VanDerWaalsContact C-N 3.26Å; A277-L279 PolarHBondContact O-N 2.92Å; A277-F327 HydrophobicContact CB-CE2 4.08Å; A277-F327 HydrophobicContact CB-CZ 3.84Å; A277-Y329 WeakPolarHBondContact CA-OH 3.4Å; A277-Y329 PolarHBondContact O-OH 3.04Å; A277-Y329 VanDerWaalsContact O-OH 3.04Å; A277-L406 HydrophobicContact CB-CD1 3.93Å; A277-L406 VanDerWaalsContact O-CD1 3.24Å; A277-L406 WeakPolarHBondContact O-CD1 3.47Å; A277-I408 WeakPolarHBondContact O-CD1 3.43Å; A277-M449 HydrophobicContact CB-CE 3.49Å; A277-M449 VanDerWaalsContact CB-CE 3.49Å
278	A	98.4	Very high	97.4	Very high	17 Å²	17	36.8 Å²	36.8	14%	0.14	18%	0.176	C	C	.	.	H	α-helix	trans	-74.6	-10.9	177.5	0	0	0	0	0	114.7	M229 V233 V237 Q274 P275 I276 H280 R281 L406	M229-A278 HydrophobicContact CE-CB 3.7Å; V233-A278 HydrophobicContact CG1-CB 3.57Å; V237-A278 HydrophobicContact CG1-CB 4.44Å; Q274-A278 PolarHBondContact O-N 3.34Å; P275-A278 PolarHBondContact O-N 3.04Å; I276-A278 VanDerWaalsContact C-N 3.28Å; I276-A278 PolarHBondContact O-N 3.21Å; A278-H280 VanDerWaalsContact C-N 3.35Å; A278-H280 PolarHBondContact O-N 3.03Å; A278-R281 WeakPolarHBondContact O-CB 3.22Å; A278-R281 PolarHBondContact O-N 3.44Å; A278-L406 HydrophobicContact CB-CD2 4.28Å
279	L	98.6	Very high	97.3	Very high	76 Å²	76	38.3 Å²	38.3	40%	0.398	18%	0.184	S	C	.	.	H	α-helix	trans	-59.3	-44.7	-176.4	-178.2	62.9	0	0	0	112.1	I223 P275 I276 A277 Y294	I223-L279 HydrophobicContact CD1-CD2 3.68Å; P275-L279 PolarHBondContact O-N 3.44Å; I276-L279 WeakPolarHBondContact O-CB 3.44Å; I276-L279 PolarHBondContact O-N 2.74Å; I276-L279 VanDerWaalsContact O-N 3.11Å; A277-L279 VanDerWaalsContact C-N 3.26Å; A277-L279 PolarHBondContact O-N 2.92Å; L279-Y294 HydrophobicContact CD2-CE1 4.4Å; L279-Y294 HydrophobicContact CD2-CE2 4Å
280	H	98.3	Very high	97.3	Very high	19 Å²	19	39.5 Å²	39.5	9%	0.088	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	21.1	-179	-66.3	-74.9	0	0	0	112.9	A278 D282 E283 L285 Y294 Y329 I408	A278-H280 VanDerWaalsContact C-N 3.35Å; A278-H280 PolarHBondContact O-N 3.03Å; H280-D282 PolarHBondContact O-N 3.05Å; H280-E283 HydrophobicContact CB-CB 4.39Å; H280-E283 HydrophobicContact CB-CG 4.45Å; H280-E283 IonicContact CE1-OE2 3.23Å; H280-E283 IonicContact CG-OE2 3.87Å; H280-E283 IonicContact ND1-OE1 2.66Å; H280-E283 IonicContact ND1-OE2 3.69Å; H280-E283 PolarHBondContact ND1-OE2 3.14Å; H280-E283 VanDerWaalsContact O-CB 3.31Å; H280-E283 WeakPolarHBondContact O-CB 3.37Å; H280-E283 WeakPolarHBondContact O-CG 3.3Å; H280-E283 PolarHBondContact O-N 3.24Å; H280-E283 VanDerWaalsContact O-N 3.08Å; H280-L285 HydrophobicContact CB-CD2 4.33Å; H280-Y294 AromaticContact NE2-CE2 3.52Å; H280-Y294 AromaticContact NE2-CZ 3.73Å; H280-Y294 PolarHBondContact NE2-OH 3.08Å; H280-Y294 VanDerWaalsContact NE2-OH 3.09Å; H280-Y329 HydrophobicContact CB-CE1 4.39Å; H280-Y329 AromaticContact CD2-CE2 3.42Å; H280-Y329 VanDerWaalsContact CD2-CE2 3.42Å; H280-Y329 WeakPolarHBondContact CD2-CE2 3.44Å; H280-Y329 AromaticContact CD2-CZ 3.58Å; H280-I408 HydrophobicContact CB-CD1 4.13Å; H280-I408 HydrophobicContact CB-CG2 4.09Å; H280-I408 WeakPolarHBondContact O-CG1 3.43Å
281	R	98.1	Very high	97.3	Very high	65 Å²	65	42.3 Å²	42.3	25%	0.245	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	133.5	176.8	-176.2	-172.3	-177.1	-146.6	4.4	109.7	E232 E236 A278 E283 L406	E232-R281 IonicContact OE1-NH1 3.59Å; E236-R281 VanDerWaalsContact CD-NH2 3.34Å; E236-R281 IonicContact OE1-CZ 3.39Å; E236-R281 IonicContact OE1-NE 3.64Å; E236-R281 IonicContact OE1-NH2 3Å; E236-R281 PolarHBondContact OE1-NH2 2.95Å; E236-R281 WeakPolarHBondContact OE2-CD 3.27Å; E236-R281 IonicContact OE2-CZ 3.12Å; E236-R281 IonicContact OE2-NE 2.63Å; E236-R281 PolarHBondContact OE2-NE 3.3Å; E236-R281 IonicContact OE2-NH2 3.89Å; E236-R281 PolarHBondContact OE2-NH2 3Å; A278-R281 WeakPolarHBondContact O-CB 3.22Å; A278-R281 PolarHBondContact O-N 3.44Å; R281-E283 VanDerWaalsContact C-N 3.25Å; R281-E283 PolarHBondContact O-N 3.2Å; R281-L406 WeakPolarHBondContact CA-O 3.37Å; R281-L406 HydrophobicContact CB-CD2 4.18Å; R281-L406 HydrophobicContact CG-CD2 4.03Å; R281-L406 WeakPolarHBondContact CG-O 3.2Å
282	D	96.7	Very high	97.4	Very high	61 Å²	61	43.3 Å²	43.3	33%	0.326	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	15.4	-177.5	-74.5	-60.5	0	0	0	117.4	H280 L406 R407 R409	H280-D282 PolarHBondContact O-N 3.05Å; D282-L406 PolarHBondContact N-O 2.85Å; D282-R407 WeakPolarHBondContact CA-O 3.33Å; D282-R407 IonicContact OD1-CZ 2.83Å; D282-R407 IonicContact OD1-NE 3.85Å; D282-R407 PolarHBondContact OD1-NE 2.63Å; D282-R407 IonicContact OD1-NH1 2.76Å; D282-R407 IonicContact OD1-NH2 3.87Å; D282-R407 PolarHBondContact OD1-NH2 3.12Å; D282-R407 VanDerWaalsContact OD1-NH2 3.12Å; D282-R407 IonicContact OD2-CZ 3.01Å; D282-R407 IonicContact OD2-NE 2.61Å; D282-R407 IonicContact OD2-NH2 2.78Å; D282-R407 PolarHBondContact OD2-NH2 2.73Å; D282-R409 VanDerWaalsContact CA-NH1 3.28Å; D282-R409 PolarHBondContact O-NH1 2.96Å; D282-R409 IonicContact OD1-CZ 2.74Å; D282-R409 IonicContact OD1-NH1 3.67Å; D282-R409 IonicContact OD1-NH2 3.61Å; D282-R409 PolarHBondContact OD1-NH2 3.29Å
283	E	96.3	Very high	97.4	Very high	84 Å²	84	44.8 Å²	44.8	39%	0.393	22%	0.22	S	C	.	.			trans	-91.6	167	178.6	-63.2	-171.1	-172.7	0	0	114.1	H280 R281 L285 R409	H280-E283 HydrophobicContact CB-CB 4.39Å; H280-E283 HydrophobicContact CB-CG 4.45Å; H280-E283 IonicContact CE1-OE2 3.23Å; H280-E283 IonicContact CG-OE2 3.87Å; H280-E283 IonicContact ND1-OE1 2.66Å; H280-E283 IonicContact ND1-OE2 3.69Å; H280-E283 PolarHBondContact ND1-OE2 3.14Å; H280-E283 VanDerWaalsContact O-CB 3.31Å; H280-E283 WeakPolarHBondContact O-CB 3.37Å; H280-E283 WeakPolarHBondContact O-CG 3.3Å; H280-E283 PolarHBondContact O-N 3.24Å; H280-E283 VanDerWaalsContact O-N 3.08Å; R281-E283 VanDerWaalsContact C-N 3.25Å; R281-E283 PolarHBondContact O-N 3.2Å; E283-L285 HydrophobicContact CB-CD2 4.23Å; E283-R409 WeakPolarHBondContact O-CD 3.37Å; E283-R409 PolarHBondContact O-N 2.94Å
284	W	96	Very high	97.5	Very high	83 Å²	83	45 Å²	45	31%	0.314	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	101.3	169.8	-72.8	78.5	0	0	0	107.5	R409 T413 V444	W284-R409 HydrophobicContact CD2-CB 3.58Å; W284-R409 HydrophobicContact CD2-CG 3.96Å; W284-R409 HydrophobicContact CE3-CB 3.43Å; W284-R409 VanDerWaalsContact CE3-CB 3.43Å; W284-R409 HydrophobicContact CE3-CG 4.09Å; W284-R409 HydrophobicContact CG-CB 4.14Å; W284-R409 HydrophobicContact CH2-CB 4.17Å; W284-R409 HydrophobicContact CH2-CG 4.01Å; W284-R409 HydrophobicContact CZ2-CB 4.27Å; W284-R409 HydrophobicContact CZ2-CG 3.83Å; W284-R409 HydrophobicContact CZ3-CB 3.76Å; W284-R409 HydrophobicContact CZ3-CG 4.13Å; W284-T413 HydrophobicContact CD2-CG2 4.15Å; W284-T413 HydrophobicContact CE3-CG2 4.32Å; W284-T413 HydrophobicContact CH2-CG2 3.51Å; W284-T413 HydrophobicContact CZ2-CG2 3.31Å; W284-T413 HydrophobicContact CZ3-CG2 4.03Å; W284-V444 HydrophobicContact CH2-CB 4.41Å; W284-V444 HydrophobicContact CH2-CG1 3.72Å; W284-V444 HydrophobicContact CH2-CG2 3.81Å; W284-V444 HydrophobicContact CZ2-CG1 4.39Å; W284-V444 HydrophobicContact CZ3-CG1 4.1Å
285	L	96.1	Very high	97.5	Very high	9 Å²	9	44.8 Å²	44.8	5%	0.047	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	134.4	-176.4	-59.6	-173.3	0	0	0	110.3	H280 E283 L290 I292 Y329 I408 R409 G411 V447	H280-L285 HydrophobicContact CB-CD2 4.33Å; E283-L285 HydrophobicContact CB-CD2 4.23Å; L285-L290 HydrophobicContact CB-CD2 4.43Å; L285-L290 HydrophobicContact CD1-CD2 4.22Å; L285-I292 HydrophobicContact CD1-CD1 4.18Å; L285-I292 HydrophobicContact CD2-CD1 4.29Å; L285-Y329 HydrophobicContact CD1-CD1 4.02Å; L285-Y329 HydrophobicContact CD1-CG 4.14Å; L285-I408 HydrophobicContact CD1-CG2 3.7Å; L285-I408 HydrophobicContact CG-CG2 3.88Å; L285-R409 PolarHBondContact N-O 3.26Å; L285-G411 PolarHBondContact O-N 3.05Å; L285-V447 HydrophobicContact CB-CG1 4.09Å; L285-V447 HydrophobicContact CD1-CG1 4.04Å; L285-V447 HydrophobicContact CD1-CG2 4.18Å; L285-V447 HydrophobicContact CG-CG1 4.46Å
286	R	93.9	Very high	97.5	Very high	100 Å²	100	44 Å²	44	38%	0.377	21%	0.214	S	C	.	.			trans	-78	136.9	-178.6	-61.3	-176.3	-66.2	159.2	-3.4	109.9	E288 D289	R286-E288 HydrophobicContact CB-CG 4.1Å; R286-E288 IonicContact NH1-OE1 2.63Å; R286-E288 PolarHBondContact O-N 3.09Å; R286-D289 HydrophobicContact CB-CB 4.5Å; R286-D289 IonicContact CZ-OD1 3.58Å; R286-D289 IonicContact CZ-OD2 3.29Å; R286-D289 IonicContact NE-OD1 3.81Å; R286-D289 IonicContact NE-OD2 3.71Å; R286-D289 PolarHBondContact NE-OD2 2.86Å; R286-D289 IonicContact NH2-OD1 3.6Å; R286-D289 PolarHBondContact NH2-OD1 2.93Å; R286-D289 IonicContact NH2-OD2 3.85Å; R286-D289 PolarHBondContact NH2-OD2 2.84Å; R286-D289 PolarHBondContact O-N 3.46Å
287	P	94.8	Very high	97.5	Very high	52 Å²	52	46 Å²	46	34%	0.338	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-55.8	-36.8	177.7	-27.7	36.9	0	0	0	113.2	D289 L290 Y410	P287-D289 PolarHBondContact O-N 2.88Å; P287-L290 PolarHBondContact O-N 2.98Å; P287-Y410 HydrophobicContact CB-CE2 4.06Å; P287-Y410 HydrophobicContact CG-CE1 4.29Å; P287-Y410 HydrophobicContact CG-CE2 4.02Å
288	E	95.6	Very high	97.5	Very high	113 Å²	113	46.1 Å²	46.1	53%	0.528	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-68.8	-16.6	179.2	62.1	-98.9	-145.8	0	0	115	R286	R286-E288 HydrophobicContact CB-CG 4.1Å; R286-E288 IonicContact NH1-OE1 2.63Å; R286-E288 PolarHBondContact O-N 3.09Å
289	D	96.6	Very high	97.6	Very high	66 Å²	66	46.1 Å²	46.1	35%	0.353	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-91.5	-12.2	177	-63.1	-26.7	0	0	0	112.1	R286 P287 P291 I292	R286-D289 HydrophobicContact CB-CB 4.5Å; R286-D289 IonicContact CZ-OD1 3.58Å; R286-D289 IonicContact CZ-OD2 3.29Å; R286-D289 IonicContact NE-OD1 3.81Å; R286-D289 IonicContact NE-OD2 3.71Å; R286-D289 PolarHBondContact NE-OD2 2.86Å; R286-D289 IonicContact NH2-OD1 3.6Å; R286-D289 PolarHBondContact NH2-OD1 2.93Å; R286-D289 IonicContact NH2-OD2 3.85Å; R286-D289 PolarHBondContact NH2-OD2 2.84Å; R286-D289 PolarHBondContact O-N 3.46Å; P287-D289 PolarHBondContact O-N 2.88Å; D289-P291 CarbonylContact O-C 3.57Å; D289-I292 HydrophobicContact CB-CD1 4.45Å; D289-I292 HydrophobicContact CB-CG1 4.42Å; D289-I292 VanDerWaalsContact O-CG1 3.23Å; D289-I292 WeakPolarHBondContact O-CG1 3.47Å
290	L	97.9	Very high	97.5	Very high	25 Å²	25	42.5 Å²	42.5	13%	0.131	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-88.8	139.8	-177.3	-62.4	171	0	0	0	110.8	L285 P287 I292 Y329 Y410 V447	L285-L290 HydrophobicContact CB-CD2 4.43Å; L285-L290 HydrophobicContact CD1-CD2 4.22Å; P287-L290 PolarHBondContact O-N 2.98Å; L290-I292 HydrophobicContact CD2-CD1 4.3Å; L290-I292 HydrophobicContact CD2-CG1 4.18Å; L290-Y329 WeakPolarHBondContact CD2-O 3.45Å; L290-Y410 HydrophobicContact CD1-CD2 3.59Å; L290-Y410 HydrophobicContact CD1-CE2 3.69Å; L290-V447 HydrophobicContact CD1-CG1 3.91Å; L290-V447 HydrophobicContact CD2-CG1 4.4Å
291	P	98.6	Very high	97.6	Very high	59 Å²	59	43.2 Å²	43.2	38%	0.383	21%	0.207	S	C	.	.	S	Bend	cis	-80.8	135.6	2.5	31.5	-34.3	0	0	0	113.6	D289 K293 V328 Y329 M340	D289-P291 CarbonylContact O-C 3.57Å; P291-K293 HydrophobicContact CB-CG 4.49Å; P291-V328 HydrophobicContact CB-CG1 3.82Å; P291-Y329 CarbonylContact C-O 3.55Å; P291-Y329 WeakPolarHBondContact CA-O 3.34Å; P291-M340 HydrophobicContact CB-CE 4.05Å; P291-M340 HydrophobicContact CG-CE 3.88Å
292	I	98.9	Very high	97.5	Very high	30 Å²	30	42.8 Å²	42.8	15%	0.154	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	120.8	170.3	-56.6	169	0	0	0	107.7	L285 D289 L290 Y294 V328 Y329	L285-I292 HydrophobicContact CD1-CD1 4.18Å; L285-I292 HydrophobicContact CD2-CD1 4.29Å; D289-I292 HydrophobicContact CB-CD1 4.45Å; D289-I292 HydrophobicContact CB-CG1 4.42Å; D289-I292 VanDerWaalsContact O-CG1 3.23Å; D289-I292 WeakPolarHBondContact O-CG1 3.47Å; L290-I292 HydrophobicContact CD2-CD1 4.3Å; L290-I292 HydrophobicContact CD2-CG1 4.18Å; I292-Y294 HydrophobicContact CG2-CD2 4.17Å; I292-Y294 HydrophobicContact CG2-CE2 3.51Å; I292-V328 WeakPolarHBondContact O-CA 3.5Å; I292-Y329 HydrophobicContact CB-CD2 4.39Å; I292-Y329 PolarHBondContact N-O 2.76Å; I292-Y329 PolarHBondContact O-N 2.91Å
293	K	98.9	Very high	97.3	Very high	31 Å²	31	42.6 Å²	42.6	14%	0.135	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	124.4	-173.7	-57.8	-174.1	-176.9	-176	0	110.9	Y220 T221 P291 V328 M340 E343	Y220-K293 WeakPolarHBondContact CA-O 3.47Å; Y220-K293 HydrophobicContact CD1-CB 3.59Å; Y220-K293 HydrophobicContact CD2-CB 4.31Å; Y220-K293 HydrophobicContact CD2-CD 4.24Å; Y220-K293 HydrophobicContact CE1-CB 3.79Å; Y220-K293 HydrophobicContact CE1-CD 4.41Å; Y220-K293 HydrophobicContact CE1-CG 4.39Å; Y220-K293 HydrophobicContact CE2-CD 3.94Å; Y220-K293 HydrophobicContact CG-CB 3.85Å; T221-K293 PolarHBondContact N-O 2.84Å; P291-K293 HydrophobicContact CB-CG 4.49Å; K293-V328 HydrophobicContact CB-CG2 4.36Å; K293-V328 HydrophobicContact CG-CG1 4.12Å; K293-V328 HydrophobicContact CG-CG2 4.02Å; K293-M340 VanDerWaalsContact CE-CE 3.48Å; K293-E343 IonicContact NZ-OE1 3.82Å; K293-E343 PolarHBondContact NZ-OE1 3.38Å; K293-E343 IonicContact NZ-OE2 3.24Å
294	Y	98.9	Very high	96.8	Very high	33 Å²	33	40.1 Å²	40.1	13%	0.129	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	134.4	178.5	-72.4	-65.1	0	0	0	112.4	Y220 T221 I223 I276 L279 H280 I292 F327 Y329	Y220-Y294 WeakPolarHBondContact CD1-O 3.46Å; T221-Y294 HydrophobicContact CG2-CD1 4.44Å; T221-Y294 HydrophobicContact CG2-CE1 4.34Å; T221-Y294 WeakPolarHBondContact O-CA 3.41Å; I223-Y294 HydrophobicContact CB-CD1 4.12Å; I223-Y294 HydrophobicContact CD1-CD1 4.17Å; I223-Y294 HydrophobicContact CD1-CE1 4.18Å; I223-Y294 HydrophobicContact CG2-CD1 3.94Å; I223-Y294 HydrophobicContact CG2-CG 4.18Å; I276-Y294 HydrophobicContact CG2-CD2 3.78Å; I276-Y294 HydrophobicContact CG2-CG 4.19Å; L279-Y294 HydrophobicContact CD2-CE1 4.4Å; L279-Y294 HydrophobicContact CD2-CE2 4Å; H280-Y294 AromaticContact NE2-CE2 3.52Å; H280-Y294 AromaticContact NE2-CZ 3.73Å; H280-Y294 PolarHBondContact NE2-OH 3.08Å; H280-Y294 VanDerWaalsContact NE2-OH 3.09Å; I292-Y294 HydrophobicContact CG2-CD2 4.17Å; I292-Y294 HydrophobicContact CG2-CE2 3.51Å; Y294-F327 PolarHBondContact N-O 2.86Å; Y294-F327 PolarHBondContact O-N 3.48Å; Y294-Y329 HydrophobicContact CD2-CD2 4.36Å; Y294-Y329 HydrophobicContact CD2-CE2 4.14Å; Y294-Y329 HydrophobicContact CE2-CD2 4.23Å; Y294-Y329 HydrophobicContact CE2-CE2 4.02Å
295	A	98.9	Very high	95.9	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	89.3	169.2	0	0	0	0	0	108.7	L212 L215 T221 P222 I223 L297 E325	L212-A295 HydrophobicContact CD2-CB 4.33Å; L215-A295 HydrophobicContact CB-CB 3.8Å; L215-A295 HydrophobicContact CD1-CB 3.58Å; L215-A295 HydrophobicContact CG-CB 4.36Å; T221-A295 PolarHBondContact O-N 3.16Å; P222-A295 WeakPolarHBondContact CA-O 3.36Å; I223-A295 PolarHBondContact N-O 2.96Å; A295-L297 PolarHBondContact O-N 2.97Å; A295-E325 CarbonylContact C-O 3.49Å; A295-E325 VanDerWaalsContact CA-O 3.29Å; A295-E325 WeakPolarHBondContact CA-O 3.21Å
296	G	98.9	Very high	94.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	118	-175.4	0	0	0	0	0	112.7	I223 I324 E325	I223-G296 WeakPolarHBondContact O-CA 3.17Å; G296-I324 CarbonylContact O-C 3.54Å; G296-I324 VanDerWaalsContact O-CA 3.3Å; G296-I324 WeakPolarHBondContact O-CA 3.3Å; G296-E325 PolarHBondContact N-O 2.77Å; G296-E325 PolarHBondContact O-N 3.31Å
297	L	98.9	Very high	93.6	Very high	43 Å²	43	39.4 Å²	39.4	23%	0.225	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	118.8	171.7	173.4	66	0	0	0	110	I208 L212 I223 A295 I324	I208-L297 HydrophobicContact CG2-CD1 3.94Å; I208-L297 HydrophobicContact CG2-CD2 4.36Å; L212-L297 HydrophobicContact CD1-CD2 4.2Å; L212-L297 HydrophobicContact CD2-CB 4.48Å; I223-L297 PolarHBondContact O-N 3.13Å; A295-L297 PolarHBondContact O-N 2.97Å; L297-I324 HydrophobicContact CD1-CD1 4.48Å; L297-I324 HydrophobicContact CD1-CG1 4.24Å
298	S	98.8	Very high	92.5	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.014	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	158.8	172.3	72.4	0	0	0	0	113.7	T225 S272 K323	T225-S298 WeakPolarHBondContact OG1-CB 3.29Å; S272-S298 WeakPolarHBondContact CB-OG 3.15Å; S272-S298 PolarHBondContact N-OG 2.94Å; S298-K323 PolarHBondContact N-O 3.2Å; S298-K323 PolarHBondContact O-N 3.04Å
299	T	98.9	Very high	91.3	Very high	18 Å²	18	43 Å²	43	11%	0.11	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	132.3	157.5	-55	0	0	0	0	108.4	F227 F301 Q320 E322	F227-T299 VanDerWaalsContact CZ-N 3.28Å; T299-F301 HydrophobicContact CG2-CE1 4.26Å; T299-F301 HydrophobicContact CG2-CE2 3.93Å; T299-F301 HydrophobicContact CG2-CZ 3.72Å; T299-Q320 HydrophobicContact CG2-CG 3.49Å; T299-Q320 VanDerWaalsContact CG2-CG 3.49Å; T299-E322 PolarHBondContact OG1-OE1 3.09Å
300	C	98.6	Very high	90.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	141.9	-179.2	-58.4	0	0	0	0	109.7	A270 Q320 F321	A270-C300 WeakPolarHBondContact O-CB 3.36Å; C300-Q320 WeakPolarHBondContact O-CA 3.39Å; C300-F321 HydrophobicContact CB-CD1 4.38Å; C300-F321 HydrophobicContact CB-CD2 4.12Å; C300-F321 HydrophobicContact CB-CE1 3.95Å; C300-F321 HydrophobicContact CB-CE2 3.67Å; C300-F321 HydrophobicContact CB-CG 4.45Å; C300-F321 HydrophobicContact CB-CZ 3.58Å; C300-F321 WeakPolarHBondContact CB-O 3.5Å; C300-F321 PolarHBondContact N-O 3.18Å; C300-F321 PolarHBondContact O-N 3.06Å; C300-F321 VanDerWaalsContact O-N 3.12Å
301	F	98.4	Very high	89.5	Confident	34 Å²	34	49.7 Å²	49.7	15%	0.149	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	121.5	-179.5	-58.7	-90.8	0	0	0	110.6	F227 Y248 L268 I269 A270 T299 H319 Q320	F227-F301 HydrophobicContact CB-CE2 4.2Å; F227-F301 HydrophobicContact CD2-CE2 4.21Å; F227-F301 HydrophobicContact CG-CE2 4.44Å; Y248-F301 HydrophobicContact CD2-CB 4.02Å; L268-F301 HydrophobicContact CB-CB 3.84Å; L268-F301 HydrophobicContact CB-CD2 3.84Å; L268-F301 HydrophobicContact CB-CG 3.95Å; L268-F301 HydrophobicContact CD1-CB 4.1Å; L268-F301 HydrophobicContact CD1-CD1 3.83Å; L268-F301 HydrophobicContact CD1-CD2 4.07Å; L268-F301 HydrophobicContact CD1-CE1 4.24Å; L268-F301 HydrophobicContact CD1-CE2 4.47Å; L268-F301 HydrophobicContact CD1-CG 3.72Å; L268-F301 HydrophobicContact CD2-CD2 4.26Å; L268-F301 HydrophobicContact CD2-CE2 4.28Å; L268-F301 HydrophobicContact CG-CD2 4.27Å; L268-F301 HydrophobicContact CG-CG 4.33Å; I269-F301 PolarHBondContact O-N 3.36Å; A270-F301 WeakPolarHBondContact CA-O 3.43Å; T299-F301 HydrophobicContact CG2-CE1 4.26Å; T299-F301 HydrophobicContact CG2-CE2 3.93Å; T299-F301 HydrophobicContact CG2-CZ 3.72Å; F301-H319 CarbonylContact C-O 3.58Å; F301-H319 VanDerWaalsContact CA-O 3.22Å; F301-H319 WeakPolarHBondContact CA-O 3.26Å; F301-Q320 HydrophobicContact CD1-CB 4.43Å; F301-Q320 HydrophobicContact CD1-CG 4.29Å; F301-Q320 HydrophobicContact CE1-CB 4.45Å; F301-Q320 HydrophobicContact CE1-CG 3.89Å
302	R	96.3	Very high	88.7	Confident	56 Å²	56	50.9 Å²	50.9	21%	0.211	28%	0.28	C	S	.	.			trans	-130.7	127.7	179.5	-63.8	-171.9	-178.3	-167.4	-6.6	111.3	E246 A270 E304 H319 F321	E246-R302 HydrophobicContact CG-CB 4.29Å; E246-R302 HydrophobicContact CG-CG 3.99Å; E246-R302 CarbonylContact O-C 3.52Å; E246-R302 WeakPolarHBondContact O-CA 3.41Å; E246-R302 WeakPolarHBondContact OE1-CD 3.43Å; E246-R302 IonicContact OE1-CZ 3.18Å; E246-R302 IonicContact OE1-NE 3.78Å; E246-R302 PolarHBondContact OE1-NE 3.37Å; E246-R302 VanDerWaalsContact OE1-NE 3.17Å; E246-R302 IonicContact OE1-NH1 3.71Å; E246-R302 IonicContact OE1-NH2 2.67Å; A270-R302 HydrophobicContact CB-CG 4.12Å; A270-R302 PolarHBondContact O-NE 3.25Å; R302-E304 HydrophobicContact CB-CG 4.03Å; R302-E304 WeakPolarHBondContact CB-OE1 3.47Å; R302-E304 WeakPolarHBondContact CD-OE1 3.42Å; R302-E304 PolarHBondContact O-N 2.89Å; R302-H319 PolarHBondContact N-O 2.84Å; R302-H319 VanDerWaalsContact O-CA 3.32Å; R302-H319 WeakPolarHBondContact O-CA 3.41Å; R302-H319 PolarHBondContact O-ND1 3.31Å; R302-F321 HydrophobicContact CG-CE1 4.17Å
303	Q	92.3	Very high	88.1	Confident	56 Å²	56	56.6 Å²	56.6	26%	0.262	30%	0.299	S	S	.	.			trans	-69.1	-22.1	176.4	-66.5	-177.8	-66.6	0	0	112.5	E246 L247 Y248 V305 H319	E246-Q303 PolarHBondContact O-N 3.08Å; L247-Q303 PolarHBondContact O-OE1 2.89Å; L247-Q303 VanDerWaalsContact O-OE1 3.1Å; Y248-Q303 HydrophobicContact CD1-CG 3.97Å; Y248-Q303 HydrophobicContact CD2-CG 3.65Å; Y248-Q303 HydrophobicContact CE1-CG 3.92Å; Y248-Q303 HydrophobicContact CE2-CB 4.26Å; Y248-Q303 HydrophobicContact CE2-CG 3.62Å; Y248-Q303 HydrophobicContact CG-CG 3.84Å; Q303-V305 HydrophobicContact CB-CG2 3.84Å; Q303-V305 PolarHBondContact O-N 3Å; Q303-H319 PolarHBondContact O-CE1 2.92Å; Q303-H319 PolarHBondContact O-ND1 2.96Å
304	E	87.4	Confident	87.8	Confident	32 Å²	32	55.6 Å²	55.6	15%	0.15	30%	0.298	C	S	.	.			trans	54.7	32.6	177.3	-62.8	-73.3	147.3	0	0	113	R302 S307 R317	R302-E304 HydrophobicContact CB-CG 4.03Å; R302-E304 WeakPolarHBondContact CB-OE1 3.47Å; R302-E304 WeakPolarHBondContact CD-OE1 3.42Å; R302-E304 PolarHBondContact O-N 2.89Å; E304-S307 PolarHBondContact O-N 2.9Å; E304-S307 PolarHBondContact O-OG 2.94Å; E304-R317 HydrophobicContact CG-CG 4.24Å; E304-R317 WeakPolarHBondContact OE2-CD 3.45Å; E304-R317 VanDerWaalsContact OE2-CG 3.31Å; E304-R317 WeakPolarHBondContact OE2-CG 3.37Å; E304-R317 IonicContact OE2-NE 3.78Å; E304-R317 PolarHBondContact OE2-NE 3.49Å
305	V	76	Confident	87.8	Confident	82 Å²	82	54 Å²	54	50%	0.497	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	142.8	174.4	-175.1	0	0	0	0	108.6	E245 Q303 S307	E245-V305 HydrophobicContact CB-CB 4.26Å; E245-V305 WeakPolarHBondContact O-CB 3.38Å; E245-V305 WeakPolarHBondContact O-CG2 3.21Å; E245-V305 PolarHBondContact O-N 3.04Å; Q303-V305 HydrophobicContact CB-CG2 3.84Å; Q303-V305 PolarHBondContact O-N 3Å; V305-S307 VanDerWaalsContact C-N 3.34Å; V305-S307 PolarHBondContact O-N 2.88Å
306	G	70.5	Confident	87.6	Confident	81 Å²	81	54.5 Å²	54.5	84%	0.835	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.3	-13.9	-175.5	0	0	0	0	0	115.2
307	S	71.7	Confident	87.4	Confident	14 Å²	14	56.6 Å²	56.6	10%	0.098	30%	0.302	C	S	.	.			trans	-96.4	24.3	177.6	72.1	0	0	0	0	114.2	R192 E304 V305 G309 R310	R192-S307 PolarHBondContact NH1-OG 3.1Å; R192-S307 PolarHBondContact NH2-O 3.08Å; R192-S307 PolarHBondContact NH2-OG 3.34Å; R192-S307 VanDerWaalsContact NH2-OG 3.07Å; E304-S307 PolarHBondContact O-N 2.9Å; E304-S307 PolarHBondContact O-OG 2.94Å; V305-S307 VanDerWaalsContact C-N 3.34Å; V305-S307 PolarHBondContact O-N 2.88Å; S307-G309 PolarHBondContact O-N 3.29Å; S307-R310 PolarHBondContact O-N 2.91Å
308	H	70.9	Confident	87.3	Confident	188 Å²	188	54.8 Å²	54.8	87%	0.87	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	125.9	-170.7	-172.4	-78.4	0	0	0	111.8	R310	H308-R310 VanDerWaalsContact C-N 3.27Å; H308-R310 PolarHBondContact O-N 3.45Å
309	G	71.5	Confident	87.2	Confident	54 Å²	54	56.2 Å²	56.2	56%	0.557	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	-3.6	179.4	0	0	0	0	0	115.9	S307	S307-G309 PolarHBondContact O-N 3.29Å
310	R	74.9	Confident	87.2	Confident	173 Å²	173	59.7 Å²	59.7	65%	0.653	31%	0.314	S	S	*	.	S	Bend	trans	-90.2	133.8	174.2	-62.1	-172.2	-179	-174.4	-0.4	111.5	R192 S307 H308 T312	R192-R310 PolarHBondContact NH2-O 2.77Å; S307-R310 PolarHBondContact O-N 2.91Å; H308-R310 VanDerWaalsContact C-N 3.27Å; H308-R310 PolarHBondContact O-N 3.45Å; R310-T312 PolarHBondContact O-N 2.99Å; R310-T312 VanDerWaalsContact O-N 3.16Å
311	D	81.9	Confident	87.2	Confident	58 Å²	58	60.5 Å²	60.5	31%	0.31	32%	0.318	S	S	.	.	S	Bend	trans	47.8	42.3	174.2	-53.8	-63.7	0	0	0	113.8	R313 F316 R317	D311-R313 PolarHBondContact O-N 2.85Å; D311-R313 VanDerWaalsContact O-N 3.16Å; D311-F316 HydrophobicContact CB-CD1 4.41Å; D311-R317 HydrophobicContact CB-CB 3.95Å; D311-R317 IonicContact OD2-CZ 2.81Å; D311-R317 IonicContact OD2-NH1 3.87Å; D311-R317 PolarHBondContact OD2-NH1 3.05Å; D311-R317 IonicContact OD2-NH2 2.67Å
312	T	81.6	Confident	87.2	Confident	84 Å²	84	60.4 Å²	60.4	52%	0.515	32%	0.317	S	S	.	.			trans	-76.5	2.9	-173.8	62.2	0	0	0	0	114.3	R310	R310-T312 PolarHBondContact O-N 2.99Å; R310-T312 VanDerWaalsContact O-N 3.16Å
313	R	86.6	Confident	87.4	Confident	149 Å²	149	58.1 Å²	58.1	56%	0.562	31%	0.309	S	S	*	.	S	Bend	trans	-122	151	-178.2	-64.6	179.8	66.1	-163.5	-4.6	110.3	V171 D311	V171-R313 HydrophobicContact CG1-CB 3.73Å; V171-R313 HydrophobicContact CG2-CB 4.09Å; D311-R313 PolarHBondContact O-N 2.85Å; D311-R313 VanDerWaalsContact O-N 3.16Å
314	G	93	Very high	87.7	Confident	11 Å²	11	55.5 Å²	55.5	11%	0.113	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	74	-153	-177.8	0	0	0	0	0	112.2
315	I	97.1	Very high	88.2	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	12.2	-174.2	62.8	179	0	0	0	113.4	V174 F180 Y194 L196 T458 I461 C462	V174-I315 HydrophobicContact CG1-CD1 4.14Å; V174-I315 HydrophobicContact CG1-CG1 4.31Å; F180-I315 HydrophobicContact CD2-CG2 3.43Å; F180-I315 VanDerWaalsContact CD2-CG2 3.43Å; F180-I315 HydrophobicContact CE2-CG2 3.55Å; F180-I315 HydrophobicContact CG-CG2 4.49Å; Y194-I315 HydrophobicContact CD2-CG2 3.89Å; Y194-I315 HydrophobicContact CE2-CG2 4.3Å; Y194-I315 HydrophobicContact CG-CG2 4.15Å; L196-I315 HydrophobicContact CD1-CD1 4.04Å; I315-T458 VanDerWaalsContact O-CB 3.26Å; I315-T458 WeakPolarHBondContact O-CB 3.42Å; I315-T458 PolarHBondContact O-OG1 3.02Å; I315-I461 HydrophobicContact CD1-CB 4.5Å; I315-I461 HydrophobicContact CD1-CG2 4.1Å; I315-C462 WeakPolarHBondContact CG1-SG 3.41Å
316	F	96.3	Very high	89.3	Confident	9 Å²	9	50.1 Å²	50.1	4%	0.039	27%	0.266	C	S	.	.	S	Bend	trans	-73.3	-43.7	-175	-176.7	-92.7	0	0	0	113.1	D311 F383 R390 R459 C462	D311-F316 HydrophobicContact CB-CD1 4.41Å; F316-F383 HydrophobicContact CD2-CE1 4.28Å; F316-F383 HydrophobicContact CD2-CZ 4.25Å; F316-F383 HydrophobicContact CE2-CE1 4.34Å; F316-F383 AromaticContact CE2-CZ 3.93Å; F316-F383 HydrophobicContact CE2-CZ 3.93Å; F316-R390 HydrophobicContact CE2-CB 3.82Å; F316-R390 HydrophobicContact CE2-CG 4.24Å; F316-R390 HydrophobicContact CZ-CB 3.66Å; F316-R390 HydrophobicContact CZ-CG 4.06Å; F316-R459 HydrophobicContact CD2-CB 4.2Å; F316-R459 HydrophobicContact CD2-CG 3.89Å; F316-R459 HydrophobicContact CE2-CB 4.08Å; F316-R459 HydrophobicContact CE2-CG 3.84Å; F316-R459 HydrophobicContact CG-CG 4.42Å; F316-R459 HydrophobicContact CZ-CG 4.34Å; F316-R459 WeakPolarHBondContact O-CG 3.27Å; F316-R459 PolarHBondContact O-NE 3.35Å; F316-C462 HydrophobicContact CD2-CB 4.44Å
317	R	94.9	Very high	90.7	Very high	45 Å²	45	46.3 Å²	46.3	17%	0.17	23%	0.227	C	C	.	.	S	Bend	trans	-121.9	106	173.1	-177.7	177.1	-78.6	127.2	5.3	109.5	E304 D311	E304-R317 HydrophobicContact CG-CG 4.24Å; E304-R317 WeakPolarHBondContact OE2-CD 3.45Å; E304-R317 VanDerWaalsContact OE2-CG 3.31Å; E304-R317 WeakPolarHBondContact OE2-CG 3.37Å; E304-R317 IonicContact OE2-NE 3.78Å; E304-R317 PolarHBondContact OE2-NE 3.49Å; D311-R317 HydrophobicContact CB-CB 3.95Å; D311-R317 IonicContact OD2-CZ 2.81Å; D311-R317 IonicContact OD2-NH1 3.87Å; D311-R317 PolarHBondContact OD2-NH1 3.05Å; D311-R317 IonicContact OD2-NH2 2.67Å
318	V	96	Very high	92	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.024	22%	0.222	C	C	.	.			trans	-138.9	159.4	-173.8	-71.1	0	0	0	0	110.2	Y194 Q320 F321	Y194-V318 HydrophobicContact CD1-CB 4.08Å; Y194-V318 HydrophobicContact CD1-CG1 3.78Å; Y194-V318 HydrophobicContact CE1-CB 3.83Å; Y194-V318 HydrophobicContact CE1-CG1 3.94Å; Y194-V318 HydrophobicContact CE1-CG2 3.85Å; V318-Q320 VanDerWaalsContact C-N 3.31Å; V318-Q320 WeakPolarHBondContact CG2-O 3.36Å; V318-Q320 PolarHBondContact O-N 3.42Å; V318-F321 HydrophobicContact CG2-CB 4.18Å; V318-F321 HydrophobicContact CG2-CD1 4.46Å
319	H	97.1	Very high	93.3	Very high	32 Å²	32	36.7 Å²	36.7	15%	0.148	18%	0.18	C	C	.	.	S	Bend	trans	-75.4	-19.7	-178.5	-64.8	-57.1	0	0	0	114.1	S191 Y248 F301 R302 Q303	S191-H319 PolarHBondContact O-CD2 3.4Å; S191-H319 PolarHBondContact O-NE2 2.94Å; S191-H319 VanDerWaalsContact O-NE2 3.17Å; Y248-H319 HydrophobicContact CE2-CB 4.39Å; Y248-H319 PolarHBondContact OH-ND1 2.92Å; F301-H319 CarbonylContact C-O 3.58Å; F301-H319 VanDerWaalsContact CA-O 3.22Å; F301-H319 WeakPolarHBondContact CA-O 3.26Å; R302-H319 PolarHBondContact N-O 2.84Å; R302-H319 VanDerWaalsContact O-CA 3.32Å; R302-H319 WeakPolarHBondContact O-CA 3.41Å; R302-H319 PolarHBondContact O-ND1 3.31Å; Q303-H319 PolarHBondContact O-CE1 2.92Å; Q303-H319 PolarHBondContact O-ND1 2.96Å
320	Q	98.5	Very high	94.6	Very high	91 Å²	91	34.3 Å²	34.3	43%	0.425	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	130.7	-176.2	-176.9	-178.4	28.6	0	0	108.7	Y194 T299 C300 F301 V318	Y194-Q320 WeakPolarHBondContact CE1-O 3.48Å; Y194-Q320 PolarHBondContact OH-O 3.25Å; T299-Q320 HydrophobicContact CG2-CG 3.49Å; T299-Q320 VanDerWaalsContact CG2-CG 3.49Å; C300-Q320 WeakPolarHBondContact O-CA 3.39Å; F301-Q320 HydrophobicContact CD1-CB 4.43Å; F301-Q320 HydrophobicContact CD1-CG 4.29Å; F301-Q320 HydrophobicContact CE1-CB 4.45Å; F301-Q320 HydrophobicContact CE1-CG 3.89Å; V318-Q320 VanDerWaalsContact C-N 3.31Å; V318-Q320 WeakPolarHBondContact CG2-O 3.36Å; V318-Q320 PolarHBondContact O-N 3.42Å
321	F	98.7	Very high	95.7	Very high	18 Å²	18	26.9 Å²	26.9	8%	0.079	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	152.5	175.5	59.5	-84.6	0	0	0	111.7	C300 R302 V318 K323 T458	C300-F321 HydrophobicContact CB-CD1 4.38Å; C300-F321 HydrophobicContact CB-CD2 4.12Å; C300-F321 HydrophobicContact CB-CE1 3.95Å; C300-F321 HydrophobicContact CB-CE2 3.67Å; C300-F321 HydrophobicContact CB-CG 4.45Å; C300-F321 HydrophobicContact CB-CZ 3.58Å; C300-F321 WeakPolarHBondContact CB-O 3.5Å; C300-F321 PolarHBondContact N-O 3.18Å; C300-F321 PolarHBondContact O-N 3.06Å; C300-F321 VanDerWaalsContact O-N 3.12Å; R302-F321 HydrophobicContact CG-CE1 4.17Å; V318-F321 HydrophobicContact CG2-CB 4.18Å; V318-F321 HydrophobicContact CG2-CD1 4.46Å; F321-K323 HydrophobicContact CD2-CB 4.45Å; F321-K323 HydrophobicContact CE2-CB 4.27Å; F321-K323 HydrophobicContact CE2-CD 4.26Å; F321-T458 HydrophobicContact CB-CG2 3.98Å
322	E	98.8	Very high	96.4	Very high	31 Å²	31	25.4 Å²	25.4	15%	0.145	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	141.8	176.1	-69.8	58.5	-136	0	0	110.5	I208 T299 T457	I208-E322 HydrophobicContact CD1-CB 4.48Å; I208-E322 HydrophobicContact CD1-CG 4.47Å; T299-E322 PolarHBondContact OG1-OE1 3.09Å; E322-T457 HydrophobicContact CB-CG2 3.74Å; E322-T457 WeakPolarHBondContact CB-OG1 3.34Å; E322-T457 PolarHBondContact O-N 2.95Å; E322-T457 PolarHBondContact O-OG1 3.08Å
323	K	98.8	Very high	97.1	Very high	9 Å²	9	24.2 Å²	24.2	4%	0.039	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	137.8	177.4	-166.5	166.5	68.4	136.6	0	111.5	T271 S298 F321 E325 T453 C455	T271-K323 WeakPolarHBondContact OG1-CE 3.45Å; T271-K323 PolarHBondContact OG1-NZ 2.87Å; S298-K323 PolarHBondContact N-O 3.2Å; S298-K323 PolarHBondContact O-N 3.04Å; F321-K323 HydrophobicContact CD2-CB 4.45Å; F321-K323 HydrophobicContact CE2-CB 4.27Å; F321-K323 HydrophobicContact CE2-CD 4.26Å; K323-E325 WeakPolarHBondContact CD-OE2 3.41Å; K323-E325 WeakPolarHBondContact CE-OE2 3.34Å; K323-E325 IonicContact NZ-OE1 2.89Å; K323-E325 IonicContact NZ-OE2 3.91Å; K323-E325 PolarHBondContact NZ-OE2 3.34Å; K323-T453 HydrophobicContact CD-CG2 3.77Å; K323-T453 HydrophobicContact CG-CG2 3.98Å; K323-T453 PolarHBondContact NZ-OG1 2.76Å; K323-C455 WeakPolarHBondContact CA-O 3.45Å
324	I	98.9	Very high	97.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	124.1	166.3	-60.4	84.3	0	0	0	107.1	I208 A211 L212 L215 G296 L297 M454 C455 T457	I208-I324 HydrophobicContact CB-CD1 4.37Å; I208-I324 HydrophobicContact CG1-CD1 3.96Å; A211-I324 HydrophobicContact CB-CB 4.09Å; A211-I324 HydrophobicContact CB-CD1 4.17Å; A211-I324 HydrophobicContact CB-CG1 3.97Å; A211-I324 HydrophobicContact CB-CG2 4.06Å; L212-I324 HydrophobicContact CD2-CG2 4.28Å; L215-I324 HydrophobicContact CD1-CG2 3.71Å; G296-I324 CarbonylContact O-C 3.54Å; G296-I324 VanDerWaalsContact O-CA 3.3Å; G296-I324 WeakPolarHBondContact O-CA 3.3Å; L297-I324 HydrophobicContact CD1-CD1 4.48Å; L297-I324 HydrophobicContact CD1-CG1 4.24Å; I324-M454 HydrophobicContact CB-CB 4.32Å; I324-M454 HydrophobicContact CG2-CB 4.03Å; I324-M454 HydrophobicContact CG2-CG 4.45Å; I324-M454 WeakPolarHBondContact O-CA 3.2Å; I324-M454 WeakPolarHBondContact O-CB 3.37Å; I324-M454 PolarHBondContact O-N 3.27Å; I324-C455 HydrophobicContact CB-CB 4.5Å; I324-C455 HydrophobicContact CD1-CB 4.23Å; I324-C455 PolarHBondContact N-O 2.94Å; I324-C455 PolarHBondContact O-N 3.11Å; I324-C455 VanDerWaalsContact O-N 3.14Å; I324-T457 HydrophobicContact CD1-CG2 4.14Å
325	E	98.8	Very high	97.7	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.009	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.8	-173.4	-163.5	70.1	-167.4	0	0	110.6	S272 A295 G296 K323 A452 T453	S272-E325 WeakPolarHBondContact OG-CB 3.37Å; A295-E325 CarbonylContact C-O 3.49Å; A295-E325 VanDerWaalsContact CA-O 3.29Å; A295-E325 WeakPolarHBondContact CA-O 3.21Å; G296-E325 PolarHBondContact N-O 2.77Å; G296-E325 PolarHBondContact O-N 3.31Å; K323-E325 WeakPolarHBondContact CD-OE2 3.41Å; K323-E325 WeakPolarHBondContact CE-OE2 3.34Å; K323-E325 IonicContact NZ-OE1 2.89Å; K323-E325 IonicContact NZ-OE2 3.91Å; K323-E325 PolarHBondContact NZ-OE2 3.34Å; E325-A452 VanDerWaalsContact CD-C 3.48Å; E325-A452 VanDerWaalsContact CD-O 3.29Å; E325-A452 PolarHBondContact OE1-N 3.45Å; E325-T453 PolarHBondContact OE1-N 3.44Å; E325-T453 WeakPolarHBondContact OE2-CA 3.48Å; E325-T453 PolarHBondContact OE2-OG1 3.3Å
326	Q	98.9	Very high	97.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	125.7	162.1	-56.8	179.9	82.1	0	0	108	L215 Y220 M344 N451 A452 M454	L215-Q326 HydrophobicContact CD1-CG 4.08Å; L215-Q326 HydrophobicContact CD2-CG 3.72Å; Y220-Q326 HydrophobicContact CE1-CB 3.83Å; Y220-Q326 HydrophobicContact CE1-CG 4.13Å; Y220-Q326 PolarHBondContact OH-OE1 3.06Å; Q326-M344 HydrophobicContact CB-CE 3.81Å; Q326-M344 PolarHBondContact NE2-O 2.67Å; Q326-N451 CarbonylContact O-C 3.43Å; Q326-N451 WeakPolarHBondContact O-CA 3.43Å; Q326-A452 HydrophobicContact CB-CB 4.24Å; Q326-A452 WeakPolarHBondContact CB-O 3.42Å; Q326-A452 PolarHBondContact N-O 3.05Å; Q326-A452 PolarHBondContact O-N 3.24Å; Q326-M454 HydrophobicContact CG-CB 4.22Å
327	F	98.9	Very high	97.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	127.8	171.9	-164.9	-77.3	0	0	0	109.8	E273 I276 A277 Y294 Y329 M449 L450 N451	E273-F327 HydrophobicContact CB-CD2 4.33Å; E273-F327 HydrophobicContact CB-CE2 4.42Å; E273-F327 HydrophobicContact CG-CD2 3.78Å; E273-F327 HydrophobicContact CG-CE2 3.48Å; E273-F327 VanDerWaalsContact CG-CE2 3.48Å; I276-F327 HydrophobicContact CB-CB 4.49Å; I276-F327 HydrophobicContact CB-CD2 4.43Å; I276-F327 HydrophobicContact CB-CG 4.21Å; I276-F327 HydrophobicContact CD1-CB 4.39Å; I276-F327 HydrophobicContact CG2-CB 3.8Å; I276-F327 HydrophobicContact CG2-CD1 3.54Å; I276-F327 HydrophobicContact CG2-CD2 4.24Å; I276-F327 HydrophobicContact CG2-CE1 4.22Å; I276-F327 HydrophobicContact CG2-CG 3.56Å; A277-F327 HydrophobicContact CB-CE2 4.08Å; A277-F327 HydrophobicContact CB-CZ 3.84Å; Y294-F327 PolarHBondContact N-O 2.86Å; Y294-F327 PolarHBondContact O-N 3.48Å; F327-Y329 HydrophobicContact CD1-CD2 4.11Å; F327-Y329 AromaticContact CD1-CE2 3.72Å; F327-Y329 HydrophobicContact CD1-CE2 3.72Å; F327-Y329 HydrophobicContact CE1-CD1 4.39Å; F327-Y329 HydrophobicContact CE1-CD2 4.01Å; F327-Y329 AromaticContact CE1-CE1 3.97Å; F327-Y329 HydrophobicContact CE1-CE1 3.97Å; F327-Y329 AromaticContact CE1-CE2 3.51Å; F327-Y329 HydrophobicContact CE1-CE2 3.51Å; F327-Y329 HydrophobicContact CE1-CG 4.43Å; F327-Y329 AromaticContact CE1-CZ 3.52Å; F327-M449 HydrophobicContact CE1-CB 4.48Å; F327-M449 HydrophobicContact CE1-CE 4.03Å; F327-M449 HydrophobicContact CZ-CB 4.16Å; F327-M449 HydrophobicContact CZ-CE 3.51Å; F327-M449 HydrophobicContact CZ-CG 4.45Å; F327-L450 WeakPolarHBondContact CA-O 3.39Å; F327-N451 HydrophobicContact CD2-CB 3.91Å; F327-N451 HydrophobicContact CE2-CB 4.17Å
328	V	98.9	Very high	98.1	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	127.5	-175	-174	0	0	0	0	111.6	Y220 P291 I292 K293 M340 M344 M449 L450	Y220-V328 HydrophobicContact CE1-CG2 3.92Å; P291-V328 HydrophobicContact CB-CG1 3.82Å; I292-V328 WeakPolarHBondContact O-CA 3.5Å; K293-V328 HydrophobicContact CB-CG2 4.36Å; K293-V328 HydrophobicContact CG-CG1 4.12Å; K293-V328 HydrophobicContact CG-CG2 4.02Å; V328-M340 HydrophobicContact CB-CG 4.02Å; V328-M340 HydrophobicContact CB-SD 4.37Å; V328-M340 HydrophobicContact CG1-CE 4.37Å; V328-M340 HydrophobicContact CG1-CG 3.7Å; V328-M340 HydrophobicContact CG1-SD 3.95Å; V328-M340 HydrophobicContact CG2-CG 4.21Å; V328-M340 HydrophobicContact CG2-SD 4.01Å; V328-M344 HydrophobicContact CB-SD 3.99Å; V328-M344 HydrophobicContact CG2-CE 4.16Å; V328-M344 HydrophobicContact CG2-CG 4.21Å; V328-M344 HydrophobicContact CG2-SD 3.59Å; V328-M344 VanDerWaalsContact CG2-SD 3.59Å; V328-M449 WeakPolarHBondContact O-CA 3.35Å; V328-L450 PolarHBondContact N-O 3.3Å; V328-L450 PolarHBondContact O-N 3.45Å
329	Y	98.9	Very high	98.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	119.1	162.7	-63.7	-88.4	0	0	0	108.4	I276 A277 H280 L285 L290 P291 I292 Y294 F327 I408 V447 M449	I276-Y329 HydrophobicContact CG2-CE2 4.44Å; I276-Y329 PolarHBondContact O-OH 3.35Å; A277-Y329 WeakPolarHBondContact CA-OH 3.4Å; A277-Y329 PolarHBondContact O-OH 3.04Å; A277-Y329 VanDerWaalsContact O-OH 3.04Å; H280-Y329 HydrophobicContact CB-CE1 4.39Å; H280-Y329 AromaticContact CD2-CE2 3.42Å; H280-Y329 VanDerWaalsContact CD2-CE2 3.42Å; H280-Y329 WeakPolarHBondContact CD2-CE2 3.44Å; H280-Y329 AromaticContact CD2-CZ 3.58Å; L285-Y329 HydrophobicContact CD1-CD1 4.02Å; L285-Y329 HydrophobicContact CD1-CG 4.14Å; L290-Y329 WeakPolarHBondContact CD2-O 3.45Å; P291-Y329 CarbonylContact C-O 3.55Å; P291-Y329 WeakPolarHBondContact CA-O 3.34Å; I292-Y329 HydrophobicContact CB-CD2 4.39Å; I292-Y329 PolarHBondContact N-O 2.76Å; I292-Y329 PolarHBondContact O-N 2.91Å; Y294-Y329 HydrophobicContact CD2-CD2 4.36Å; Y294-Y329 HydrophobicContact CD2-CE2 4.14Å; Y294-Y329 HydrophobicContact CE2-CD2 4.23Å; Y294-Y329 HydrophobicContact CE2-CE2 4.02Å; F327-Y329 HydrophobicContact CD1-CD2 4.11Å; F327-Y329 AromaticContact CD1-CE2 3.72Å; F327-Y329 HydrophobicContact CD1-CE2 3.72Å; F327-Y329 HydrophobicContact CE1-CD1 4.39Å; F327-Y329 HydrophobicContact CE1-CD2 4.01Å; F327-Y329 AromaticContact CE1-CE1 3.97Å; F327-Y329 HydrophobicContact CE1-CE1 3.97Å; F327-Y329 AromaticContact CE1-CE2 3.51Å; F327-Y329 HydrophobicContact CE1-CE2 3.51Å; F327-Y329 HydrophobicContact CE1-CG 4.43Å; F327-Y329 AromaticContact CE1-CZ 3.52Å; Y329-I408 HydrophobicContact CE1-CD1 3.76Å; Y329-I408 HydrophobicContact CE1-CG2 4.42Å; Y329-V447 HydrophobicContact CD1-CG2 3.92Å; Y329-M449 HydrophobicContact CD1-CG 3.74Å; Y329-M449 HydrophobicContact CD1-SD 4.38Å; Y329-M449 HydrophobicContact CE1-CE 3.77Å; Y329-M449 HydrophobicContact CE1-CG 3.82Å; Y329-M449 HydrophobicContact CE1-SD 3.94Å
330	S	98.8	Very high	98.3	Very high	4 Å²	4	34.4 Å²	34.4	3%	0.028	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	160	-175.8	-167.3	0	0	0	0	112.1	K336 H448	S330-K336 PolarHBondContact OG-O 3.08Å; S330-H448 PolarHBondContact N-O 3.15Å; S330-H448 PolarHBondContact O-N 3.48Å
331	S	98	Very high	98.4	Very high	17 Å²	17	30 Å²	30	12%	0.119	15%	0.149	C	C	.	.			trans	-61.6	139.5	170.6	-179.1	0	0	0	0	110.2	H333	S331-H333 PolarHBondContact O-N 3.31Å; S331-H333 PolarHBondContact OG-N 2.96Å
332	P	97.3	Very high	98.4	Very high	28 Å²	28	33.2 Å²	33.2	18%	0.182	16%	0.164	C	C	.	.	S	Bend	trans	-75.6	-8.4	173.9	32.8	-35.2	0	0	0	113.2	Y410 F446	P332-Y410 VanDerWaalsContact CD-CD2 3.43Å; P332-Y410 HydrophobicContact CG-CD1 4.2Å; P332-Y410 HydrophobicContact CG-CD2 4.2Å; P332-Y410 HydrophobicContact CG-CG 3.93Å; P332-F446 WeakPolarHBondContact CB-O 3.43Å; P332-F446 WeakPolarHBondContact CG-O 3.38Å
333	H	96	Very high	98.4	Very high	58 Å²	58	35.4 Å²	35.4	27%	0.269	18%	0.175	S	C	.	.	S	Bend	trans	-97.4	165.3	-174.6	-55.3	-64.3	0	0	0	113.3	S331 N335 K336 Y410 E445	S331-H333 PolarHBondContact O-N 3.31Å; S331-H333 PolarHBondContact OG-N 2.96Å; H333-N335 PolarHBondContact O-N 3.21Å; H333-N335 VanDerWaalsContact O-N 3.09Å; H333-K336 WeakPolarHBondContact O-CB 3.22Å; H333-K336 VanDerWaalsContact O-CG 3.26Å; H333-K336 WeakPolarHBondContact O-CG 3.43Å; H333-K336 PolarHBondContact O-N 3.3Å; H333-Y410 AromaticContact CD2-CE1 3.4Å; H333-Y410 VanDerWaalsContact CD2-CE1 3.4Å; H333-Y410 WeakPolarHBondContact CD2-CE1 3.38Å; H333-Y410 AromaticContact CD2-CZ 3.58Å; H333-Y410 AromaticContact NE2-CD1 3.62Å; H333-Y410 AromaticContact NE2-CE1 3.21Å; H333-Y410 WeakPolarHBondContact NE2-CE1 3.18Å; H333-Y410 AromaticContact NE2-CZ 3.91Å; H333-E445 IonicContact CE1-OE1 3.09Å; H333-E445 PolarHBondContact CE1-OE1 2.87Å; H333-E445 VanDerWaalsContact CE1-OE1 3.24Å; H333-E445 IonicContact CE1-OE2 2.64Å; H333-E445 IonicContact NE2-OE2 2.76Å
334	D	95.7	Very high	98.4	Very high	132 Å²	132	35 Å²	35	71%	0.706	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	35.8	164.9	-48.7	-43.5	0	0	0	114.6	K336	D334-K336 HydrophobicContact CB-CG 4.33Å; D334-K336 PolarHBondContact O-N 3.25Å
335	N	97.5	Very high	98.4	Very high	94 Å²	94	35 Å²	35	50%	0.503	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	12.5	-179.8	-154.8	49.7	0	0	0	114.7	H333 S337 W338 E339	H333-N335 PolarHBondContact O-N 3.21Å; H333-N335 VanDerWaalsContact O-N 3.09Å; N335-S337 VanDerWaalsContact C-N 3.32Å; N335-S337 PolarHBondContact O-N 2.85Å; N335-W338 PolarHBondContact O-N 2.74Å; N335-W338 WeakPolarHBondContact OD1-CB 3.49Å; N335-E339 PolarHBondContact O-N 3Å
336	K	98.5	Very high	98.4	Very high	90 Å²	90	35.7 Å²	35.7	39%	0.391	18%	0.18	S	C	.	.	H	α-helix	trans	-60.3	-35.4	-170.6	-71	-72.9	157.7	-150.4	0	114.1	S330 H333 D334 W338 E339 M340	S330-K336 PolarHBondContact OG-O 3.08Å; H333-K336 WeakPolarHBondContact O-CB 3.22Å; H333-K336 VanDerWaalsContact O-CG 3.26Å; H333-K336 WeakPolarHBondContact O-CG 3.43Å; H333-K336 PolarHBondContact O-N 3.3Å; D334-K336 HydrophobicContact CB-CG 4.33Å; D334-K336 PolarHBondContact O-N 3.25Å; K336-W338 VanDerWaalsContact C-N 3.33Å; K336-E339 IonicContact NZ-OE1 3.51Å; K336-E339 IonicContact NZ-OE2 2.6Å; K336-E339 PolarHBondContact NZ-OE2 2.61Å; K336-M340 WeakPolarHBondContact O-CB 3.29Å; K336-M340 PolarHBondContact O-N 3.43Å
337	S	98.8	Very high	98.4	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.014	18%	0.181	C	C	.	.	H	α-helix	trans	-66.7	-35.3	174.1	60.1	0	0	0	0	112.6	N335 M340 F341 N397 H448 L450	N335-S337 VanDerWaalsContact C-N 3.32Å; N335-S337 PolarHBondContact O-N 2.85Å; S337-M340 PolarHBondContact O-N 3.12Å; S337-F341 WeakPolarHBondContact O-CB 3.37Å; S337-F341 PolarHBondContact O-N 2.84Å; S337-N397 PolarHBondContact OG-ND2 3.09Å; S337-H448 VanDerWaalsContact CB-ND1 3.32Å; S337-H448 WeakPolarHBondContact CB-ND1 3.08Å; S337-H448 PolarHBondContact OG-ND1 3.02Å; S337-L450 WeakPolarHBondContact O-CD2 3.19Å
338	W	98.8	Very high	98.4	Very high	40 Å²	40	35.8 Å²	35.8	15%	0.152	18%	0.181	C	C	.	.	H	α-helix	trans	-78.5	-33.6	-179	-64.3	113.6	0	0	0	111.9	H140 N335 K336 M340 F341 E342 S374 K375 N397 T399	H140-W338 HydrophobicContact CB-CH2 3.66Å; H140-W338 HydrophobicContact CB-CZ2 4.09Å; H140-W338 HydrophobicContact CB-CZ3 4.21Å; H140-W338 AromaticContact CD2-CD2 3.93Å; H140-W338 AromaticContact CD2-CE2 3.72Å; H140-W338 AromaticContact CD2-CH2 3.78Å; H140-W338 AromaticContact CD2-CZ2 3.65Å; H140-W338 AromaticContact CD2-CZ3 3.97Å; H140-W338 AromaticContact CG-CH2 3.94Å; N335-W338 PolarHBondContact O-N 2.74Å; N335-W338 WeakPolarHBondContact OD1-CB 3.49Å; K336-W338 VanDerWaalsContact C-N 3.33Å; W338-M340 VanDerWaalsContact C-N 3.34Å; W338-F341 HydrophobicContact CE3-CB 4.32Å; W338-F341 HydrophobicContact CE3-CD1 4.4Å; W338-F341 HydrophobicContact CE3-CG 4.37Å; W338-F341 WeakPolarHBondContact O-CB 3.4Å; W338-F341 PolarHBondContact O-N 3.3Å; W338-E342 PolarHBondContact O-N 3.22Å; W338-S374 WeakPolarHBondContact CH2-OG 3.03Å; W338-K375 HydrophobicContact CH2-CB 3.96Å; W338-K375 HydrophobicContact CZ3-CB 3.75Å; W338-K375 HydrophobicContact CZ3-CD 4.24Å; W338-N397 HydrophobicContact CE3-CB 4.12Å; W338-N397 HydrophobicContact CH2-CB 3.94Å; W338-N397 HydrophobicContact CZ3-CB 3.59Å; W338-N397 WeakPolarHBondContact CZ3-ND2 3.16Å; W338-T399 HydrophobicContact CZ2-CG2 4.07Å
339	E	98.8	Very high	98.4	Very high	96 Å²	96	36.4 Å²	36.4	45%	0.449	18%	0.184	S	C	.	.	H	α-helix	trans	-59.9	-46	166.5	-66.7	174.2	178.9	0	0	110.8	N335 K336 F341 E342 E343	N335-E339 PolarHBondContact O-N 3Å; K336-E339 IonicContact NZ-OE1 3.51Å; K336-E339 IonicContact NZ-OE2 2.6Å; K336-E339 PolarHBondContact NZ-OE2 2.61Å; E339-F341 VanDerWaalsContact C-N 3.32Å; E339-F341 PolarHBondContact O-N 3.05Å; E339-E342 PolarHBondContact O-N 3.5Å; E339-E343 PolarHBondContact O-N 2.97Å
340	M	98.9	Very high	98.4	Very high	10 Å²	10	40.8 Å²	40.8	5%	0.049	20%	0.204	C	C	.	.	H	α-helix	trans	-63.7	-36.4	176.3	-175.4	56.4	52.2	0	0	112.7	P291 K293 V328 K336 S337 W338 E342 E343 M344 L450	P291-M340 HydrophobicContact CB-CE 4.05Å; P291-M340 HydrophobicContact CG-CE 3.88Å; K293-M340 VanDerWaalsContact CE-CE 3.48Å; V328-M340 HydrophobicContact CB-CG 4.02Å; V328-M340 HydrophobicContact CB-SD 4.37Å; V328-M340 HydrophobicContact CG1-CE 4.37Å; V328-M340 HydrophobicContact CG1-CG 3.7Å; V328-M340 HydrophobicContact CG1-SD 3.95Å; V328-M340 HydrophobicContact CG2-CG 4.21Å; V328-M340 HydrophobicContact CG2-SD 4.01Å; K336-M340 WeakPolarHBondContact O-CB 3.29Å; K336-M340 PolarHBondContact O-N 3.43Å; S337-M340 PolarHBondContact O-N 3.12Å; W338-M340 VanDerWaalsContact C-N 3.34Å; M340-E342 VanDerWaalsContact C-N 3.35Å; M340-E342 PolarHBondContact O-N 3.04Å; M340-E343 WeakPolarHBondContact CE-OE2 3.5Å; M340-E343 WeakPolarHBondContact O-CB 3.29Å; M340-E343 PolarHBondContact O-N 2.81Å; M340-E343 HydrophobicContact SD-CB 4.34Å; M340-M344 HydrophobicContact CG-CG 4.18Å; M340-M344 HydrophobicContact CG-SD 3.89Å; M340-M344 WeakPolarHBondContact O-CB 3.46Å; M340-M344 VanDerWaalsContact O-CG 3.27Å; M340-M344 WeakPolarHBondContact O-CG 3.26Å; M340-M344 PolarHBondContact O-N 3.04Å; M340-M344 HydrophobicContact SD-CG 4.06Å; M340-M344 HydrophobicContact SD-SD 4.41Å; M340-L450 HydrophobicContact CB-CD1 4.49Å; M340-L450 HydrophobicContact CB-CD2 4.45Å; M340-L450 HydrophobicContact CG-CD1 4.31Å; M340-L450 HydrophobicContact CG-CD2 4.48Å
341	F	98.9	Very high	98.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-58.8	-46.4	176.8	179.3	-103.2	0	0	0	111.6	S337 W338 E339 M344 I345 K375 L377 C395 N397 L450	S337-F341 WeakPolarHBondContact O-CB 3.37Å; S337-F341 PolarHBondContact O-N 2.84Å; W338-F341 HydrophobicContact CE3-CB 4.32Å; W338-F341 HydrophobicContact CE3-CD1 4.4Å; W338-F341 HydrophobicContact CE3-CG 4.37Å; W338-F341 WeakPolarHBondContact O-CB 3.4Å; W338-F341 PolarHBondContact O-N 3.3Å; E339-F341 VanDerWaalsContact C-N 3.32Å; E339-F341 PolarHBondContact O-N 3.05Å; F341-M344 PolarHBondContact O-N 2.95Å; F341-I345 PolarHBondContact O-N 3.29Å; F341-K375 HydrophobicContact CD1-CD 4.49Å; F341-K375 HydrophobicContact CE1-CD 3.7Å; F341-K375 HydrophobicContact CE1-CG 4.21Å; F341-K375 HydrophobicContact CZ-CB 4.36Å; F341-K375 HydrophobicContact CZ-CD 4.07Å; F341-K375 HydrophobicContact CZ-CG 4.06Å; F341-L377 HydrophobicContact CE1-CD1 3.57Å; F341-L377 HydrophobicContact CE1-CG 3.72Å; F341-L377 HydrophobicContact CZ-CB 4.11Å; F341-L377 HydrophobicContact CZ-CD1 3.97Å; F341-L377 HydrophobicContact CZ-CG 3.65Å; F341-C395 VanDerWaalsContact CE2-O 3.28Å; F341-C395 WeakPolarHBondContact CE2-O 3.21Å; F341-N397 HydrophobicContact CB-CB 4.36Å; F341-N397 HydrophobicContact CD2-CB 3.66Å; F341-N397 HydrophobicContact CE2-CB 4.21Å; F341-N397 HydrophobicContact CG-CB 4.19Å; F341-L450 HydrophobicContact CB-CD2 3.7Å; F341-L450 HydrophobicContact CD2-CD2 4.21Å; F341-L450 HydrophobicContact CG-CD2 4.48Å
342	E	98.8	Very high	98.4	Very high	84 Å²	84	39.9 Å²	39.9	39%	0.393	20%	0.197	S	C	.	.	H	α-helix	trans	-69.3	-33.7	176.1	-61.3	-60.2	151.5	0	0	111.9	W338 E339 M340 I345 G346 K375	W338-E342 PolarHBondContact O-N 3.22Å; E339-E342 PolarHBondContact O-N 3.5Å; M340-E342 VanDerWaalsContact C-N 3.35Å; M340-E342 PolarHBondContact O-N 3.04Å; E342-I345 VanDerWaalsContact O-CG2 3.31Å; E342-I345 WeakPolarHBondContact O-CG2 3.43Å; E342-G346 PolarHBondContact O-N 3.24Å; E342-K375 IonicContact OE1-NZ 2.79Å; E342-K375 PolarHBondContact OE1-NZ 3.41Å
343	E	98.9	Very high	98.5	Very high	78 Å²	78	41.7 Å²	41.7	36%	0.364	20%	0.204	S	C	.	.	H	α-helix	trans	-64.2	-41.6	172.9	-168.9	-168.6	135.7	0	0	112.5	K293 E339 M340 G346 T347	K293-E343 IonicContact NZ-OE1 3.82Å; K293-E343 PolarHBondContact NZ-OE1 3.38Å; K293-E343 IonicContact NZ-OE2 3.24Å; E339-E343 PolarHBondContact O-N 2.97Å; M340-E343 WeakPolarHBondContact CE-OE2 3.5Å; M340-E343 WeakPolarHBondContact O-CB 3.29Å; M340-E343 PolarHBondContact O-N 2.81Å; M340-E343 HydrophobicContact SD-CB 4.34Å; E343-G346 PolarHBondContact O-N 2.93Å; E343-T347 WeakPolarHBondContact O-CB 3.44Å; E343-T347 PolarHBondContact O-N 2.63Å; E343-T347 PolarHBondContact O-OG1 2.93Å
344	M	98.9	Very high	98.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-68.4	-44.7	-178.5	-74.5	173.4	68.5	0	0	112.1	Q326 V328 M340 F341 T347 A348 L450 A452	Q326-M344 HydrophobicContact CB-CE 3.81Å; Q326-M344 PolarHBondContact NE2-O 2.67Å; V328-M344 HydrophobicContact CB-SD 3.99Å; V328-M344 HydrophobicContact CG2-CE 4.16Å; V328-M344 HydrophobicContact CG2-CG 4.21Å; V328-M344 HydrophobicContact CG2-SD 3.59Å; V328-M344 VanDerWaalsContact CG2-SD 3.59Å; M340-M344 HydrophobicContact CG-CG 4.18Å; M340-M344 HydrophobicContact CG-SD 3.89Å; M340-M344 WeakPolarHBondContact O-CB 3.46Å; M340-M344 VanDerWaalsContact O-CG 3.27Å; M340-M344 WeakPolarHBondContact O-CG 3.26Å; M340-M344 PolarHBondContact O-N 3.04Å; M340-M344 HydrophobicContact SD-CG 4.06Å; M340-M344 HydrophobicContact SD-SD 4.41Å; F341-M344 PolarHBondContact O-N 2.95Å; M344-T347 PolarHBondContact O-N 3.18Å; M344-A348 PolarHBondContact O-N 3.47Å; M344-A348 VanDerWaalsContact O-N 3.16Å; M344-L450 HydrophobicContact CE-CB 3.95Å; M344-L450 HydrophobicContact SD-CB 3.5Å; M344-L450 WeakPolarHBondContact SD-CB 2.9Å; M344-L450 HydrophobicContact SD-CD2 4.16Å; M344-L450 HydrophobicContact SD-CG 4.38Å; M344-A452 HydrophobicContact CB-CB 4.38Å; M344-A452 HydrophobicContact CE-CB 3.69Å
345	I	98.8	Very high	98.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-67.3	-40.3	174.8	-169.4	61.6	0	0	0	110.9	F341 E342 T347 A348 E349 I361 L377 C395	F341-I345 PolarHBondContact O-N 3.29Å; E342-I345 VanDerWaalsContact O-CG2 3.31Å; E342-I345 WeakPolarHBondContact O-CG2 3.43Å; I345-T347 VanDerWaalsContact C-N 3.29Å; I345-T347 PolarHBondContact O-N 3.46Å; I345-A348 PolarHBondContact O-N 2.67Å; I345-A348 VanDerWaalsContact O-N 3.14Å; I345-E349 WeakPolarHBondContact O-CG 3.36Å; I345-E349 PolarHBondContact O-N 3.1Å; I345-I361 HydrophobicContact CD1-CD1 4.19Å; I345-I361 HydrophobicContact CG1-CD1 4.34Å; I345-I361 HydrophobicContact CG1-CG2 4.45Å; I345-L377 HydrophobicContact CB-CD1 4.36Å; I345-L377 HydrophobicContact CD1-CB 4.26Å; I345-L377 HydrophobicContact CG1-CB 4.24Å; I345-L377 HydrophobicContact CG1-CD1 4.13Å; I345-L377 HydrophobicContact CG2-CD1 4.03Å; I345-C395 HydrophobicContact CB-CB 4.37Å; I345-C395 HydrophobicContact CD1-CB 4Å
346	G	98.9	Very high	98.8	Very high	16 Å²	16	31.3 Å²	31.3	17%	0.165	16%	0.16	C	C	.	.	H	α-helix	trans	-61.1	-37	174.7	0	0	0	0	0	112.7	E342 E343 E349 E350	E342-G346 PolarHBondContact O-N 3.24Å; E343-G346 PolarHBondContact O-N 2.93Å; G346-E349 WeakPolarHBondContact O-CB 3.24Å; G346-E349 PolarHBondContact O-N 3.13Å; G346-E350 WeakPolarHBondContact O-CB 3.36Å; G346-E350 WeakPolarHBondContact O-CG 3.3Å; G346-E350 PolarHBondContact O-N 2.72Å
347	T	98.9	Very high	98.9	Very high	2 Å²	2	27 Å²	27	1%	0.012	14%	0.141	C	C	.	.	H	α-helix	trans	-64.8	-40.4	174.6	-65.5	0	0	0	0	112.2	L215 R218 E343 M344 I345 F351 M454	L215-T347 HydrophobicContact CD2-CG2 3.79Å; R218-T347 PolarHBondContact NH1-OG1 3.46Å; R218-T347 VanDerWaalsContact NH1-OG1 3.16Å; E343-T347 WeakPolarHBondContact O-CB 3.44Å; E343-T347 PolarHBondContact O-N 2.63Å; E343-T347 PolarHBondContact O-OG1 2.93Å; M344-T347 PolarHBondContact O-N 3.18Å; I345-T347 VanDerWaalsContact C-N 3.29Å; I345-T347 PolarHBondContact O-N 3.46Å; T347-F351 PolarHBondContact O-N 2.8Å; T347-M454 HydrophobicContact CG2-CE 4Å; T347-M454 HydrophobicContact CG2-SD 4.18Å
348	A	98.9	Very high	98.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-68.2	-42.8	174	0	0	0	0	0	111.7	M344 I345 E350 F351 Y352 V393	M344-A348 PolarHBondContact O-N 3.47Å; M344-A348 VanDerWaalsContact O-N 3.16Å; I345-A348 PolarHBondContact O-N 2.67Å; I345-A348 VanDerWaalsContact O-N 3.14Å; A348-E350 PolarHBondContact O-N 2.82Å; A348-F351 WeakPolarHBondContact O-CB 3.35Å; A348-F351 PolarHBondContact O-N 2.62Å; A348-Y352 VanDerWaalsContact O-CD2 3.28Å; A348-Y352 WeakPolarHBondContact O-CD2 3.37Å; A348-Y352 PolarHBondContact O-N 2.93Å; A348-V393 HydrophobicContact CB-CG1 4.16Å; A348-V393 HydrophobicContact CB-CG2 4.28Å
349	E	98.9	Very high	98.9	Very high	13 Å²	13	25.7 Å²	25.7	6%	0.061	14%	0.137	C	C	.	.	H	α-helix	trans	-54.7	-52.6	174.5	-80.5	175.5	-91.4	0	0	111.6	R157 I345 G346 F351 Y352 Q353 Y359 I361 L379	R157-E349 VanDerWaalsContact CZ-CD 3.42Å; R157-E349 IonicContact CZ-OE1 3.52Å; R157-E349 IonicContact CZ-OE2 3.33Å; R157-E349 VanDerWaalsContact CZ-OE2 3.28Å; R157-E349 IonicContact NE-OE1 2.72Å; R157-E349 IonicContact NE-OE2 2.62Å; R157-E349 PolarHBondContact NE-OE2 3.41Å; R157-E349 VanDerWaalsContact NH1-CD 3.3Å; R157-E349 IonicContact NH1-OE1 3.61Å; R157-E349 PolarHBondContact NH1-OE1 3.35Å; R157-E349 IonicContact NH1-OE2 3.62Å; R157-E349 PolarHBondContact NH1-OE2 2.72Å; R157-E349 IonicContact NH2-OE1 3.36Å; R157-E349 PolarHBondContact NH2-OE1 3.36Å; R157-E349 IonicContact NH2-OE2 3.18Å; I345-E349 WeakPolarHBondContact O-CG 3.36Å; I345-E349 PolarHBondContact O-N 3.1Å; G346-E349 WeakPolarHBondContact O-CB 3.24Å; G346-E349 PolarHBondContact O-N 3.13Å; E349-F351 VanDerWaalsContact C-N 3.26Å; E349-F351 PolarHBondContact O-N 3.41Å; E349-Y352 PolarHBondContact O-N 2.89Å; E349-Q353 WeakPolarHBondContact O-CB 3.15Å; E349-Q353 WeakPolarHBondContact O-CG 3.23Å; E349-Q353 PolarHBondContact O-N 3.4Å; E349-Y359 WeakPolarHBondContact CA-OH 3.35Å; E349-Y359 WeakPolarHBondContact CB-OH 3.35Å; E349-Y359 HydrophobicContact CG-CE2 3.81Å; E349-Y359 WeakPolarHBondContact CG-OH 3.45Å; E349-I361 HydrophobicContact CG-CD1 3.71Å; E349-I361 HydrophobicContact CG-CG1 4.11Å; E349-L379 HydrophobicContact CG-CD1 4.11Å
350	E	98.9	Very high	98.9	Very high	92 Å²	92	22 Å²	22	43%	0.43	12%	0.12	S	C	.	.	H	α-helix	trans	-61.5	-33.9	179.7	-72.9	172	-172.1	0	0	112.3	R218 G346 A348 S354	R218-E350 IonicContact CZ-OE2 3.69Å; R218-E350 IonicContact NH1-OE2 3.89Å; R218-E350 PolarHBondContact NH1-OE2 3.22Å; R218-E350 IonicContact NH2-OE2 2.72Å; R218-E350 PolarHBondContact NH2-OE2 3.28Å; G346-E350 WeakPolarHBondContact O-CB 3.36Å; G346-E350 WeakPolarHBondContact O-CG 3.3Å; G346-E350 PolarHBondContact O-N 2.72Å; A348-E350 PolarHBondContact O-N 2.82Å; E350-S354 WeakPolarHBondContact O-CB 3.45Å; E350-S354 PolarHBondContact O-N 3.01Å; E350-S354 PolarHBondContact O-OG 3.25Å
351	F	98.9	Very high	98.9	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.009	12%	0.118	C	C	.	.	H	α-helix	trans	-62.7	-51.6	172.8	178.2	-99.7	0	0	0	111.9	L207 Y210 A211 T214 T347 A348 E349 Q353 S354 L355 M454 C455	L207-F351 HydrophobicContact CD2-CZ 4.48Å; Y210-F351 AromaticContact CD1-CD2 3.97Å; Y210-F351 HydrophobicContact CD1-CD2 3.97Å; Y210-F351 AromaticContact CD1-CE2 3.28Å; Y210-F351 HydrophobicContact CD1-CE2 3.28Å; Y210-F351 HydrophobicContact CD1-CZ 4Å; Y210-F351 AromaticContact CE1-CD2 3.68Å; Y210-F351 HydrophobicContact CE1-CD2 3.68Å; Y210-F351 AromaticContact CE1-CE2 3.5Å; Y210-F351 HydrophobicContact CE1-CE2 3.5Å; Y210-F351 HydrophobicContact CE1-CZ 4.4Å; Y210-F351 HydrophobicContact CG-CE2 4.23Å; A211-F351 HydrophobicContact CB-CE2 3.91Å; A211-F351 HydrophobicContact CB-CZ 4.04Å; T214-F351 HydrophobicContact CG2-CD2 4.49Å; T347-F351 PolarHBondContact O-N 2.8Å; A348-F351 WeakPolarHBondContact O-CB 3.35Å; A348-F351 PolarHBondContact O-N 2.62Å; E349-F351 VanDerWaalsContact C-N 3.26Å; E349-F351 PolarHBondContact O-N 3.41Å; F351-Q353 VanDerWaalsContact C-N 3.35Å; F351-Q353 PolarHBondContact O-N 3.3Å; F351-S354 PolarHBondContact O-N 3.4Å; F351-S354 PolarHBondContact O-OG 3.36Å; F351-L355 HydrophobicContact CD1-CD1 4.07Å; F351-L355 HydrophobicContact CE1-CD1 3.53Å; F351-L355 HydrophobicContact CE2-CD1 4.45Å; F351-L355 HydrophobicContact CZ-CD1 3.76Å; F351-L355 WeakPolarHBondContact O-CG 3.49Å; F351-L355 PolarHBondContact O-N 2.92Å; F351-L355 VanDerWaalsContact O-N 3.16Å; F351-M454 HydrophobicContact CB-CE 3.45Å; F351-M454 VanDerWaalsContact CB-CE 3.45Å; F351-M454 HydrophobicContact CB-SD 4.08Å; F351-M454 HydrophobicContact CD2-CE 3.63Å; F351-M454 HydrophobicContact CE2-CE 4.49Å; F351-M454 HydrophobicContact CG-CE 3.65Å; F351-M454 HydrophobicContact CG-SD 4.27Å; F351-C455 HydrophobicContact CE1-CB 3.92Å; F351-C455 HydrophobicContact CZ-CB 4.05Å
352	Y	98.9	Very high	98.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-69.5	-31.7	179.6	-75.6	-75.7	0	0	0	113.1	A348 E349 L355 G356 I357 L379 L392 V393 T460	A348-Y352 VanDerWaalsContact O-CD2 3.28Å; A348-Y352 WeakPolarHBondContact O-CD2 3.37Å; A348-Y352 PolarHBondContact O-N 2.93Å; E349-Y352 PolarHBondContact O-N 2.89Å; Y352-L355 CarbonylContact O-C 3.55Å; Y352-L355 PolarHBondContact O-N 3.1Å; Y352-G356 PolarHBondContact O-N 3.39Å; Y352-G356 VanDerWaalsContact O-N 3.16Å; Y352-I357 HydrophobicContact CD1-CB 4.25Å; Y352-I357 HydrophobicContact CD1-CG1 4.4Å; Y352-I357 HydrophobicContact CD1-CG2 4.43Å; Y352-I357 PolarHBondContact O-N 3.02Å; Y352-L379 HydrophobicContact CD2-CD1 3.84Å; Y352-L379 HydrophobicContact CD2-CD2 4.15Å; Y352-L379 HydrophobicContact CG-CD1 4.36Å; Y352-L379 HydrophobicContact CG-CD2 4.3Å; Y352-L392 HydrophobicContact CD1-CD1 3.99Å; Y352-L392 HydrophobicContact CE1-CB 4.29Å; Y352-L392 HydrophobicContact CE1-CD1 3.37Å; Y352-L392 HydrophobicContact CE1-CG 4.48Å; Y352-V393 HydrophobicContact CD2-CG2 4.21Å; Y352-V393 HydrophobicContact CE2-CG2 3.38Å; Y352-T460 HydrophobicContact CE1-CG2 3.94Å; Y352-T460 PolarHBondContact OH-OG1 3.15Å
353	Q	98.9	Very high	98.8	Very high	67 Å²	67	17.7 Å²	17.7	31%	0.313	10%	0.1	S	C	.	.	H	α-helix	trans	-61.7	-44.4	170.7	-69.7	176.5	5.2	0	0	111.5	W159 E349 F351 L355 G356 Y359	W159-Q353 HydrophobicContact CD2-CB 4.47Å; W159-Q353 HydrophobicContact CD2-CG 3.66Å; W159-Q353 HydrophobicContact CE3-CG 4.18Å; W159-Q353 HydrophobicContact CG-CG 3.94Å; W159-Q353 HydrophobicContact CH2-CB 4.25Å; W159-Q353 HydrophobicContact CH2-CG 4.44Å; W159-Q353 HydrophobicContact CZ2-CB 3.9Å; W159-Q353 HydrophobicContact CZ2-CG 3.94Å; E349-Q353 WeakPolarHBondContact O-CB 3.15Å; E349-Q353 WeakPolarHBondContact O-CG 3.23Å; E349-Q353 PolarHBondContact O-N 3.4Å; F351-Q353 VanDerWaalsContact C-N 3.35Å; F351-Q353 PolarHBondContact O-N 3.3Å; Q353-L355 PolarHBondContact O-N 2.96Å; Q353-G356 PolarHBondContact O-N 3.36Å; Q353-Y359 HydrophobicContact CG-CE1 3.88Å; Q353-Y359 WeakPolarHBondContact CG-OH 3.29Å; Q353-Y359 PolarHBondContact NE2-OH 3.27Å
354	S	98.8	Very high	98.8	Very high	38 Å²	38	14 Å²	14	27%	0.266	8%	0.083	S	C	.	.	H	α-helix	trans	-66	-25	178.3	77.9	0	0	0	0	113.6	Y210 E350 F351 G356 K479	Y210-S354 WeakPolarHBondContact OH-CB 3.32Å; Y210-S354 PolarHBondContact OH-OG 2.9Å; E350-S354 WeakPolarHBondContact O-CB 3.45Å; E350-S354 PolarHBondContact O-N 3.01Å; E350-S354 PolarHBondContact O-OG 3.25Å; F351-S354 PolarHBondContact O-N 3.4Å; F351-S354 PolarHBondContact O-OG 3.36Å; S354-G356 VanDerWaalsContact C-N 3.33Å; S354-K479 WeakPolarHBondContact O-CG 3.34Å
355	L	98.8	Very high	98.8	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-1.5	172	-66.4	179.9	0	0	0	113.1	L207 Y210 F351 Y352 Q353 I357 T460 Y468 P477 L480	L207-L355 HydrophobicContact CD2-CD1 4.1Å; Y210-L355 HydrophobicContact CD1-CD2 3.99Å; Y210-L355 HydrophobicContact CE1-CD2 3.89Å; Y210-L355 HydrophobicContact CE1-CG 4.22Å; F351-L355 HydrophobicContact CD1-CD1 4.07Å; F351-L355 HydrophobicContact CE1-CD1 3.53Å; F351-L355 HydrophobicContact CE2-CD1 4.45Å; F351-L355 HydrophobicContact CZ-CD1 3.76Å; F351-L355 WeakPolarHBondContact O-CG 3.49Å; F351-L355 PolarHBondContact O-N 2.92Å; F351-L355 VanDerWaalsContact O-N 3.16Å; Y352-L355 CarbonylContact O-C 3.55Å; Y352-L355 PolarHBondContact O-N 3.1Å; Q353-L355 PolarHBondContact O-N 2.96Å; L355-I357 VanDerWaalsContact C-N 3.33Å; L355-I357 HydrophobicContact CB-CG1 3.96Å; L355-I357 PolarHBondContact O-N 3.1Å; L355-T460 HydrophobicContact CD1-CG2 4.32Å; L355-Y468 VanDerWaalsContact O-CE2 3.26Å; L355-Y468 WeakPolarHBondContact O-CE2 3.19Å; L355-Y468 PolarHBondContact O-OH 3.38Å; L355-P477 HydrophobicContact CD2-CB 4.28Å; L355-L480 HydrophobicContact CD2-CD1 4.05Å; L355-L480 HydrophobicContact CD2-CD2 3.91Å; L355-L480 HydrophobicContact CD2-CG 3.77Å
356	G	98.8	Very high	98.8	Very high	28 Å²	28	14 Å²	14	29%	0.289	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	28	179	0	0	0	0	0	114.6	Y352 Q353 S354	Y352-G356 PolarHBondContact O-N 3.39Å; Y352-G356 VanDerWaalsContact O-N 3.16Å; Q353-G356 PolarHBondContact O-N 3.36Å; S354-G356 VanDerWaalsContact C-N 3.33Å
357	I	98.9	Very high	98.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.08	C	C	.	.			trans	-97.4	116.1	-177.6	-56.1	-58.6	0	0	0	109.9	W159 Y352 L355 Y359 A381 A463 I464 N467 Y468	W159-I357 VanDerWaalsContact CZ3-O 3.26Å; W159-I357 WeakPolarHBondContact CZ3-O 3.32Å; Y352-I357 HydrophobicContact CD1-CB 4.25Å; Y352-I357 HydrophobicContact CD1-CG1 4.4Å; Y352-I357 HydrophobicContact CD1-CG2 4.43Å; Y352-I357 PolarHBondContact O-N 3.02Å; L355-I357 VanDerWaalsContact C-N 3.33Å; L355-I357 HydrophobicContact CB-CG1 3.96Å; L355-I357 PolarHBondContact O-N 3.1Å; I357-Y359 VanDerWaalsContact O-CD1 3.31Å; I357-Y359 WeakPolarHBondContact O-CD1 3.35Å; I357-A381 HydrophobicContact CG2-CB 3.64Å; I357-A463 HydrophobicContact CG2-CB 4.22Å; I357-I464 HydrophobicContact CD1-CG1 4.07Å; I357-N467 HydrophobicContact CD1-CB 3.94Å; I357-Y468 HydrophobicContact CD1-CD2 4.37Å; I357-Y468 HydrophobicContact CD1-CE2 3.99Å
358	P	98.8	Very high	98.6	Very high	13 Å²	13	15.4 Å²	15.4	8%	0.084	9%	0.092	C	C	.	.			trans	-66.7	145.5	176.3	-15.3	29.3	0	0	0	111.5	W159 D161 A381 W382 N467	W159-P358 CarbonylContact O-C 3.59Å; W159-P358 VanDerWaalsContact O-CA 3.3Å; W159-P358 WeakPolarHBondContact O-CA 3.42Å; D161-P358 WeakPolarHBondContact O-CB 3.46Å; D161-P358 WeakPolarHBondContact O-CG 3.32Å; P358-A381 CarbonylContact O-C 3.56Å; P358-A381 WeakPolarHBondContact O-CA 3.47Å; P358-W382 HydrophobicContact CB-CB 4.14Å; P358-W382 PolarHBondContact O-N 2.99Å; P358-N467 WeakPolarHBondContact CD-OD1 2.99Å
359	Y	98.9	Very high	98.5	Very high	1 Å²	1	15.8 Å²	15.8	0%	0.004	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	171.3	-178.9	63.1	-98.4	0	0	0	112.6	W159 E349 Q353 I357 I361 L379 E380	W159-Y359 HydrophobicContact CB-CD1 4.38Å; W159-Y359 HydrophobicContact CB-CD2 4.42Å; W159-Y359 HydrophobicContact CB-CE1 3.93Å; W159-Y359 HydrophobicContact CB-CE2 3.94Å; W159-Y359 HydrophobicContact CD2-CE1 4.22Å; W159-Y359 HydrophobicContact CE3-CD1 4.19Å; W159-Y359 AromaticContact CE3-CE1 3.96Å; W159-Y359 HydrophobicContact CE3-CE1 3.96Å; W159-Y359 HydrophobicContact CG-CE1 4.21Å; W159-Y359 PolarHBondContact N-O 3.06Å; W159-Y359 PolarHBondContact O-N 2.82Å; E349-Y359 WeakPolarHBondContact CA-OH 3.35Å; E349-Y359 WeakPolarHBondContact CB-OH 3.35Å; E349-Y359 HydrophobicContact CG-CE2 3.81Å; E349-Y359 WeakPolarHBondContact CG-OH 3.45Å; Q353-Y359 HydrophobicContact CG-CE1 3.88Å; Q353-Y359 WeakPolarHBondContact CG-OH 3.29Å; Q353-Y359 PolarHBondContact NE2-OH 3.27Å; I357-Y359 VanDerWaalsContact O-CD1 3.31Å; I357-Y359 WeakPolarHBondContact O-CD1 3.35Å; Y359-I361 HydrophobicContact CD2-CD1 3.89Å; Y359-I361 HydrophobicContact CD2-CG1 4.22Å; Y359-I361 HydrophobicContact CE2-CD1 3.8Å; Y359-I361 HydrophobicContact CE2-CG1 3.96Å; Y359-L379 VanDerWaalsContact CB-CD2 3.48Å; Y359-L379 HydrophobicContact CD1-CD1 4.06Å; Y359-L379 HydrophobicContact CD1-CD2 4.11Å; Y359-L379 HydrophobicContact CD1-CG 4.26Å; Y359-L379 HydrophobicContact CD2-CD1 3.84Å; Y359-L379 HydrophobicContact CD2-CD2 4.19Å; Y359-L379 HydrophobicContact CD2-CG 3.63Å; Y359-L379 HydrophobicContact CE1-CD1 4.15Å; Y359-L379 HydrophobicContact CE2-CD1 3.96Å; Y359-L379 HydrophobicContact CE2-CG 4.24Å; Y359-L379 HydrophobicContact CG-CD1 3.92Å; Y359-L379 HydrophobicContact CG-CD2 3.68Å; Y359-L379 HydrophobicContact CG-CG 3.67Å; Y359-E380 VanDerWaalsContact CA-O 3.24Å; Y359-E380 WeakPolarHBondContact CA-O 3.49Å; Y359-E380 VanDerWaalsContact CB-O 3.25Å; Y359-E380 WeakPolarHBondContact CB-O 3.35Å
360	H	98.8	Very high	98.4	Very high	19 Å²	19	18.1 Å²	18.1	9%	0.088	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	155	159.9	68.8	166	0	0	0	111.5	V155 R157 I158 E380 F389	V155-H360 HydrophobicContact CG1-CB 4.01Å; R157-H360 CarbonylContact O-C 3.59Å; R157-H360 WeakPolarHBondContact O-CA 3.38Å; R157-H360 WeakPolarHBondContact O-CB 3.46Å; I158-H360 HydrophobicContact CG1-CB 3.93Å; H360-E380 PolarHBondContact CD2-O 3.04Å; H360-E380 IonicContact CD2-OE2 2.64Å; H360-E380 IonicContact CE1-OE2 3.87Å; H360-E380 PolarHBondContact N-O 2.78Å; H360-E380 IonicContact NE2-OE2 3.54Å; H360-E380 PolarHBondContact NE2-OE2 2.8Å; H360-E380 PolarHBondContact O-N 2.61Å; H360-F389 HydrophobicContact CB-CE1 4.23Å; H360-F389 AromaticContact CD2-CD1 3.44Å; H360-F389 VanDerWaalsContact CD2-CD1 3.44Å; H360-F389 WeakPolarHBondContact CD2-CD1 3.38Å; H360-F389 AromaticContact CD2-CE1 3.71Å; H360-F389 AromaticContact CD2-CG 3.81Å; H360-F389 AromaticContact CE1-CD2 3.85Å; H360-F389 AromaticContact CE1-CG 3.88Å; H360-F389 AromaticContact CG-CE1 3.81Å; H360-F389 AromaticContact NE2-CD1 3.59Å; H360-F389 AromaticContact NE2-CD2 3.89Å; H360-F389 AromaticContact NE2-CG 3.43Å; H360-F389 WeakPolarHBondContact NE2-CG 3.32Å
361	I	98.9	Very high	98.3	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	129.1	174.2	-57.5	-57.4	0	0	0	108.3	V155 E156 R157 I345 E349 Y359 L377 D378 L379	V155-I361 CarbonylContact C-O 3.56Å; V155-I361 WeakPolarHBondContact CA-O 3.48Å; E156-I361 HydrophobicContact CB-CG2 4.42Å; E156-I361 PolarHBondContact N-O 2.88Å; R157-I361 HydrophobicContact CB-CB 4.08Å; R157-I361 HydrophobicContact CB-CG1 4.03Å; R157-I361 PolarHBondContact O-N 3Å; I345-I361 HydrophobicContact CD1-CD1 4.19Å; I345-I361 HydrophobicContact CG1-CD1 4.34Å; I345-I361 HydrophobicContact CG1-CG2 4.45Å; E349-I361 HydrophobicContact CG-CD1 3.71Å; E349-I361 HydrophobicContact CG-CG1 4.11Å; Y359-I361 HydrophobicContact CD2-CD1 3.89Å; Y359-I361 HydrophobicContact CD2-CG1 4.22Å; Y359-I361 HydrophobicContact CE2-CD1 3.8Å; Y359-I361 HydrophobicContact CE2-CG1 3.96Å; I361-L377 HydrophobicContact CG2-CB 4.25Å; I361-L377 HydrophobicContact CG2-CD1 4.28Å; I361-L377 HydrophobicContact CG2-CD2 4.26Å; I361-L377 HydrophobicContact CG2-CG 4.49Å; I361-D378 WeakPolarHBondContact CA-O 3.49Å; I361-L379 HydrophobicContact CD1-CB 3.63Å; I361-L379 HydrophobicContact CD1-CD1 3.85Å; I361-L379 HydrophobicContact CD1-CG 3.67Å
362	V	98.5	Very high	98.2	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.012	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	130.7	-174	-177.6	0	0	0	0	109.7	N153 K154 I364 L377 D378 E380	N153-V362 HydrophobicContact CB-CG1 3.45Å; N153-V362 VanDerWaalsContact CB-CG1 3.45Å; K154-V362 WeakPolarHBondContact O-CA 3.48Å; V362-I364 HydrophobicContact CB-CD1 4.41Å; V362-I364 HydrophobicContact CG1-CD1 3.89Å; V362-L377 CarbonylContact O-C 3.5Å; V362-L377 VanDerWaalsContact O-CA 3.28Å; V362-L377 WeakPolarHBondContact O-CA 3.27Å; V362-D378 PolarHBondContact N-O 3.41Å; V362-D378 PolarHBondContact O-N 2.83Å; V362-E380 HydrophobicContact CG2-CG 4.26Å
363	N	98.7	Very high	98.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	114.7	171.5	-176.4	1	0	0	0	109.4	S142 P144 K154 E156 L377	S142-N363 PolarHBondContact O-ND2 2.78Å; P144-N363 WeakPolarHBondContact CD-OD1 3.4Å; P144-N363 WeakPolarHBondContact CG-O 3.26Å; K154-N363 HydrophobicContact CB-CB 4.41Å; K154-N363 PolarHBondContact N-O 3.46Å; K154-N363 VanDerWaalsContact N-O 3.16Å; K154-N363 PolarHBondContact O-N 3.41Å; E156-N363 HydrophobicContact CG-CB 3.79Å; E156-N363 VanDerWaalsContact OE1-CB 3.32Å; E156-N363 WeakPolarHBondContact OE1-CB 3.4Å; E156-N363 PolarHBondContact OE1-ND2 2.66Å; N363-L377 HydrophobicContact CB-CD2 3.65Å
364	I	98.6	Very high	98.1	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	8%	0.077	C	C	.	.			trans	-79.1	135.7	-165.9	-58.5	-63.9	0	0	0	110.8	N153 V362 L369 K376 D378	N153-I364 WeakPolarHBondContact OD1-CA 3.44Å; V362-I364 HydrophobicContact CB-CD1 4.41Å; V362-I364 HydrophobicContact CG1-CD1 3.89Å; I364-L369 HydrophobicContact CB-CD2 4.14Å; I364-L369 HydrophobicContact CG2-CD2 4.08Å; I364-K376 HydrophobicContact CB-CB 4.39Å; I364-K376 PolarHBondContact N-O 2.88Å; I364-D378 HydrophobicContact CD1-CB 4.04Å; I364-D378 WeakPolarHBondContact CD1-OD2 3.37Å; I364-D378 HydrophobicContact CG1-CB 4.28Å
365	V	98.5	Very high	98.1	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	7%	0.068	C	C	.	.			trans	-61.2	147.9	179.5	-63.3	0	0	0	0	112.7	P144 S146 E149 D152 N153 G367 S368 L369	P144-V365 HydrophobicContact CB-CG1 4.18Å; P144-V365 HydrophobicContact CG-CG1 3.99Å; P144-V365 CarbonylContact O-C 3.57Å; P144-V365 WeakPolarHBondContact O-CA 3.18Å; S146-V365 WeakPolarHBondContact O-CB 3.33Å; E149-V365 HydrophobicContact CG-CG2 3.92Å; D152-V365 VanDerWaalsContact C-CG1 3.44Å; D152-V365 HydrophobicContact CB-CG1 3.84Å; D152-V365 WeakPolarHBondContact O-CG1 3.26Å; N153-V365 WeakPolarHBondContact OD1-CG1 3.47Å; N153-V365 PolarHBondContact OD1-N 3.4Å; V365-G367 VanDerWaalsContact C-N 3.27Å; V365-G367 PolarHBondContact O-N 2.98Å; V365-S368 PolarHBondContact O-N 3.5Å; V365-S368 VanDerWaalsContact O-N 3.12Å; V365-L369 PolarHBondContact O-N 3.32Å
366	S	98.5	Very high	98.1	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-57.9	-32.7	-174.2	54.3	0	0	0	0	114.7	K25 P144 I145 S146 S368 L369	K25-S366 WeakPolarHBondContact O-CB 3.2Å; K25-S366 PolarHBondContact O-OG 2.93Å; P144-S366 PolarHBondContact O-N 2.82Å; P144-S366 PolarHBondContact O-OG 2.84Å; I145-S366 WeakPolarHBondContact CA-OG 3.4Å; S146-S366 PolarHBondContact N-OG 3.46Å; S366-S368 VanDerWaalsContact C-N 3.3Å; S366-S368 PolarHBondContact O-N 3.27Å; S366-L369 PolarHBondContact O-N 3.46Å
367	G	97.6	Very high	98.2	Very high	10 Å²	10	10.9 Å²	10.9	10%	0.103	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-67.2	-27.9	178.7	0	0	0	0	0	114.1	S146 V365	S146-G367 PolarHBondContact O-N 3.31Å; V365-G367 VanDerWaalsContact C-N 3.27Å; V365-G367 PolarHBondContact O-N 2.98Å
368	S	97	Very high	98.2	Very high	38 Å²	38	11.2 Å²	11.2	27%	0.266	6%	0.063	S	C	.	.	G	3₁₀ helix	trans	-98.1	-0.6	-179.5	-66.7	0	0	0	0	113.9	E149 V365 S366	E149-S368 WeakPolarHBondContact CG-OG 3.34Å; E149-S368 WeakPolarHBondContact OE1-CB 3.45Å; E149-S368 PolarHBondContact OE1-OG 3.41Å; V365-S368 PolarHBondContact O-N 3.5Å; V365-S368 VanDerWaalsContact O-N 3.12Å; S366-S368 VanDerWaalsContact C-N 3.3Å; S366-S368 PolarHBondContact O-N 3.27Å
369	L	97.1	Very high	98.2	Very high	8 Å²	8	10.6 Å²	10.6	4%	0.042	6%	0.059	C	C	.	.	S	Bend	trans	-73.1	130.3	170.6	-64.7	-176.3	0	0	0	110.3	L139 V143 I364 V365 S366 A373 K376	L139-L369 HydrophobicContact CD2-CD1 3.61Å; V143-L369 HydrophobicContact CG1-CD1 3.87Å; V143-L369 HydrophobicContact CG2-CD1 4.18Å; I364-L369 HydrophobicContact CB-CD2 4.14Å; I364-L369 HydrophobicContact CG2-CD2 4.08Å; V365-L369 PolarHBondContact O-N 3.32Å; S366-L369 PolarHBondContact O-N 3.46Å; L369-A373 HydrophobicContact CD2-CB 4.45Å; L369-K376 HydrophobicContact CD2-CB 3.4Å
370	N	95	Very high	98.1	Very high	62 Å²	62	12.3 Å²	12.3	33%	0.332	7%	0.067	S	C	.	.			trans	-64.2	165.3	170	79.4	-19.7	0	0	0	110.7	R26 A372 A373	R26-N370 PolarHBondContact NH1-O 3.47Å; N370-A372 PolarHBondContact O-N 3.25Å; N370-A372 VanDerWaalsContact O-N 3.11Å; N370-A373 PolarHBondContact O-N 3.12Å; N370-A373 WeakPolarHBondContact OD1-CB 3.45Å; N370-A373 PolarHBondContact OD1-N 2.98Å
371	H	96.6	Very high	98.2	Very high	17 Å²	17	11.4 Å²	11.4	8%	0.079	6%	0.063	C	C	.	.	S	Bend	trans	-58.6	-29.1	-176.1	-63	172.5	0	0	0	113.9	R133 E134 G136 N137 Q239 Y401	R133-H371 PolarHBondContact O-ND1 3.41Å; E134-H371 PolarHBondContact O-CE1 3.17Å; E134-H371 IonicContact OE2-CE1 3.2Å; E134-H371 PolarHBondContact OE2-CE1 2.89Å; G136-H371 CarbonylContact C-O 3.44Å; G136-H371 WeakPolarHBondContact CA-O 3.28Å; N137-H371 WeakPolarHBondContact CB-O 3.4Å; N137-H371 PolarHBondContact N-O 2.74Å; Q239-H371 HydrophobicContact CG-CB 4.35Å; H371-Y401 HydrophobicContact CB-CE1 4.26Å
372	A	97.3	Very high	98.1	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.008	7%	0.068	C	C	.	.	S	Bend	trans	-80.1	-40.9	-176.4	0	0	0	0	0	113.6	M1 N137 N370 S374 C398 Y401 Q402	M1-A372 HydrophobicContact SD-CB 3.89Å; N137-A372 WeakPolarHBondContact CB-O 3.25Å; N137-A372 PolarHBondContact ND2-O 2.67Å; N370-A372 PolarHBondContact O-N 3.25Å; N370-A372 VanDerWaalsContact O-N 3.11Å; A372-S374 PolarHBondContact O-N 2.7Å; A372-C398 HydrophobicContact CB-CB 4.29Å; A372-C398 WeakPolarHBondContact O-CA 3.34Å; A372-Y401 VanDerWaalsContact CA-CD1 3.49Å; A372-Y401 HydrophobicContact CB-CD1 3.85Å; A372-Y401 HydrophobicContact CB-CE1 4.28Å; A372-Q402 HydrophobicContact CB-CG 4.48Å
373	A	98.4	Very high	98.2	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.067	C	C	.	.			trans	-69	125.7	-173.7	0	0	0	0	0	111.9	R26 L369 N370	R26-A373 PolarHBondContact NH2-O 3.12Å; L369-A373 HydrophobicContact CD2-CB 4.45Å; N370-A373 PolarHBondContact O-N 3.12Å; N370-A373 WeakPolarHBondContact OD1-CB 3.45Å; N370-A373 PolarHBondContact OD1-N 2.98Å
374	S	98.8	Very high	98.2	Very high	6 Å²	6	12.7 Å²	12.7	4%	0.042	7%	0.068	C	C	.	.	S	Bend	trans	-80.5	-33.2	167.9	-179.5	0	0	0	0	111.6	L138 H140 V143 W338 A372 N397	L138-S374 WeakPolarHBondContact O-CA 3.31Å; L138-S374 WeakPolarHBondContact O-CB 3.26Å; L138-S374 PolarHBondContact O-OG 2.84Å; H140-S374 PolarHBondContact N-O 3.28Å; H140-S374 PolarHBondContact N-OG 3.07Å; V143-S374 WeakPolarHBondContact CG2-O 3.4Å; W338-S374 WeakPolarHBondContact CH2-OG 3.03Å; A372-S374 PolarHBondContact O-N 2.7Å; S374-N397 WeakPolarHBondContact CB-O 3.43Å; S374-N397 PolarHBondContact N-O 2.72Å
375	K	98.8	Very high	98.1	Very high	16 Å²	16	13.3 Å²	13.3	7%	0.07	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	147.4	170.8	-174.2	-176.5	173.7	-171.3	0	108.1	H140 S142 V143 W338 F341 E342 N397	H140-K375 HydrophobicContact CB-CB 3.88Å; H140-K375 HydrophobicContact CB-CD 4.34Å; H140-K375 HydrophobicContact CB-CG 4.46Å; S142-K375 WeakPolarHBondContact OG-CE 3.19Å; S142-K375 PolarHBondContact OG-NZ 2.96Å; V143-K375 HydrophobicContact CG2-CB 4.04Å; V143-K375 HydrophobicContact CG2-CG 4Å; W338-K375 HydrophobicContact CH2-CB 3.96Å; W338-K375 HydrophobicContact CZ3-CB 3.75Å; W338-K375 HydrophobicContact CZ3-CD 4.24Å; F341-K375 HydrophobicContact CD1-CD 4.49Å; F341-K375 HydrophobicContact CE1-CD 3.7Å; F341-K375 HydrophobicContact CE1-CG 4.21Å; F341-K375 HydrophobicContact CZ-CB 4.36Å; F341-K375 HydrophobicContact CZ-CD 4.07Å; F341-K375 HydrophobicContact CZ-CG 4.06Å; E342-K375 IonicContact OE1-NZ 2.79Å; E342-K375 PolarHBondContact OE1-NZ 3.41Å; K375-N397 PolarHBondContact O-N 2.68Å
376	K	98.9	Very high	98	Very high	33 Å²	33	15.4 Å²	15.4	14%	0.143	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	136.5	173.7	-166	178.9	72.3	148.2	0	110.7	I364 L369 D378 C395 S396	I364-K376 HydrophobicContact CB-CB 4.39Å; I364-K376 PolarHBondContact N-O 2.88Å; L369-K376 HydrophobicContact CD2-CB 3.4Å; K376-D378 WeakPolarHBondContact CE-OD1 3.34Å; K376-D378 WeakPolarHBondContact CG-OD1 3.11Å; K376-D378 IonicContact NZ-OD1 2.63Å; K376-D378 PolarHBondContact NZ-OD1 3.43Å; K376-D378 IonicContact NZ-OD2 2.93Å; K376-D378 PolarHBondContact NZ-OD2 3.38Å; K376-C395 CarbonylContact C-O 3.3Å; K376-C395 VanDerWaalsContact CA-O 3.27Å; K376-C395 WeakPolarHBondContact CA-O 3.1Å; K376-C395 WeakPolarHBondContact CG-O 3.31Å; K376-S396 WeakPolarHBondContact CG-OG 3.28Å
377	L	98.9	Very high	98	Very high	3 Å²	3	16.5 Å²	16.5	2%	0.016	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	128.6	170.2	-69.7	-179.8	0	0	0	109	E156 F341 I345 I361 V362 N363 C395	E156-L377 HydrophobicContact CG-CD2 4.35Å; F341-L377 HydrophobicContact CE1-CD1 3.57Å; F341-L377 HydrophobicContact CE1-CG 3.72Å; F341-L377 HydrophobicContact CZ-CB 4.11Å; F341-L377 HydrophobicContact CZ-CD1 3.97Å; F341-L377 HydrophobicContact CZ-CG 3.65Å; I345-L377 HydrophobicContact CB-CD1 4.36Å; I345-L377 HydrophobicContact CD1-CB 4.26Å; I345-L377 HydrophobicContact CG1-CB 4.24Å; I345-L377 HydrophobicContact CG1-CD1 4.13Å; I345-L377 HydrophobicContact CG2-CD1 4.03Å; I361-L377 HydrophobicContact CG2-CB 4.25Å; I361-L377 HydrophobicContact CG2-CD1 4.28Å; I361-L377 HydrophobicContact CG2-CD2 4.26Å; I361-L377 HydrophobicContact CG2-CG 4.49Å; V362-L377 CarbonylContact O-C 3.5Å; V362-L377 VanDerWaalsContact O-CA 3.28Å; V362-L377 WeakPolarHBondContact O-CA 3.27Å; N363-L377 HydrophobicContact CB-CD2 3.65Å; L377-C395 PolarHBondContact N-O 2.66Å; L377-C395 PolarHBondContact O-N 3.21Å
378	D	98.8	Very high	98	Very high	6 Å²	6	17 Å²	17	3%	0.032	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	137.7	176.6	-66.1	2.1	0	0	0	109.4	I361 V362 I364 K376 E391 V393 S394	I361-D378 WeakPolarHBondContact CA-O 3.49Å; V362-D378 PolarHBondContact N-O 3.41Å; V362-D378 PolarHBondContact O-N 2.83Å; I364-D378 HydrophobicContact CD1-CB 4.04Å; I364-D378 WeakPolarHBondContact CD1-OD2 3.37Å; I364-D378 HydrophobicContact CG1-CB 4.28Å; K376-D378 WeakPolarHBondContact CE-OD1 3.34Å; K376-D378 WeakPolarHBondContact CG-OD1 3.11Å; K376-D378 IonicContact NZ-OD1 2.63Å; K376-D378 PolarHBondContact NZ-OD1 3.43Å; K376-D378 IonicContact NZ-OD2 2.93Å; K376-D378 PolarHBondContact NZ-OD2 3.38Å; D378-E391 HydrophobicContact CB-CG 4.35Å; D378-V393 CarbonylContact C-O 3.48Å; D378-V393 WeakPolarHBondContact CA-O 3.45Å; D378-S394 WeakPolarHBondContact OD1-CA 3.44Å; D378-S394 PolarHBondContact OD1-OG 3.36Å; D378-S394 VanDerWaalsContact OD1-OG 3.11Å
379	L	98.8	Very high	98	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	110.7	167.3	-173.4	161.6	0	0	0	107.3	E349 Y352 Y359 I361 L392 V393	E349-L379 HydrophobicContact CG-CD1 4.11Å; Y352-L379 HydrophobicContact CD2-CD1 3.84Å; Y352-L379 HydrophobicContact CD2-CD2 4.15Å; Y352-L379 HydrophobicContact CG-CD1 4.36Å; Y352-L379 HydrophobicContact CG-CD2 4.3Å; Y359-L379 VanDerWaalsContact CB-CD2 3.48Å; Y359-L379 HydrophobicContact CD1-CD1 4.06Å; Y359-L379 HydrophobicContact CD1-CD2 4.11Å; Y359-L379 HydrophobicContact CD1-CG 4.26Å; Y359-L379 HydrophobicContact CD2-CD1 3.84Å; Y359-L379 HydrophobicContact CD2-CD2 4.19Å; Y359-L379 HydrophobicContact CD2-CG 3.63Å; Y359-L379 HydrophobicContact CE1-CD1 4.15Å; Y359-L379 HydrophobicContact CE2-CD1 3.96Å; Y359-L379 HydrophobicContact CE2-CG 4.24Å; Y359-L379 HydrophobicContact CG-CD1 3.92Å; Y359-L379 HydrophobicContact CG-CD2 3.68Å; Y359-L379 HydrophobicContact CG-CG 3.67Å; I361-L379 HydrophobicContact CD1-CB 3.63Å; I361-L379 HydrophobicContact CD1-CD1 3.85Å; I361-L379 HydrophobicContact CD1-CG 3.67Å; L379-L392 PolarHBondContact O-N 3.02Å; L379-V393 HydrophobicContact CB-CB 3.89Å; L379-V393 HydrophobicContact CB-CG2 4.32Å; L379-V393 PolarHBondContact N-O 3.11Å; L379-V393 PolarHBondContact O-N 3.4Å
380	E	98.8	Very high	98.1	Very high	38 Å²	38	21.7 Å²	21.7	18%	0.178	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	117.3	175.3	-42.5	176.5	171.4	0	0	109.1	Y359 H360 V362 F389 R390 E391	Y359-E380 VanDerWaalsContact CA-O 3.24Å; Y359-E380 WeakPolarHBondContact CA-O 3.49Å; Y359-E380 VanDerWaalsContact CB-O 3.25Å; Y359-E380 WeakPolarHBondContact CB-O 3.35Å; H360-E380 PolarHBondContact CD2-O 3.04Å; H360-E380 IonicContact CD2-OE2 2.64Å; H360-E380 IonicContact CE1-OE2 3.87Å; H360-E380 PolarHBondContact N-O 2.78Å; H360-E380 IonicContact NE2-OE2 3.54Å; H360-E380 PolarHBondContact NE2-OE2 2.8Å; H360-E380 PolarHBondContact O-N 2.61Å; V362-E380 HydrophobicContact CG2-CG 4.26Å; E380-F389 HydrophobicContact CB-CB 3.95Å; E380-F389 WeakPolarHBondContact O-CD1 3.22Å; E380-F389 WeakPolarHBondContact OE2-CB 3.39Å; E380-R390 CarbonylContact C-O 3.5Å; E380-R390 WeakPolarHBondContact CA-O 3.26Å; E380-E391 HydrophobicContact CG-CB 4.48Å
381	A	98.8	Very high	98.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	148.3	178.5	0	0	0	0	0	110.8	I357 P358 F383 F389 R390 L392	I357-A381 HydrophobicContact CG2-CB 3.64Å; P358-A381 CarbonylContact O-C 3.56Å; P358-A381 WeakPolarHBondContact O-CA 3.47Å; A381-F383 HydrophobicContact CB-CD2 4.41Å; A381-F383 HydrophobicContact CB-CE2 4.02Å; A381-F383 WeakPolarHBondContact O-CD2 3.42Å; A381-F389 CarbonylContact O-C 3.54Å; A381-F389 WeakPolarHBondContact O-CA 3.48Å; A381-R390 PolarHBondContact N-O 2.74Å; A381-R390 PolarHBondContact O-N 3.4Å; A381-L392 HydrophobicContact CB-CD1 3.39Å; A381-L392 HydrophobicContact CB-CG 3.76Å
382	W	98.8	Very high	98.3	Very high	26 Å²	26	21.1 Å²	21.1	10%	0.098	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	126.7	171.4	177.8	-112.9	0	0	0	110.6	C162 V164 P358 P384 G387 F389 N467	C162-W382 HydrophobicContact CB-CB 4.03Å; C162-W382 HydrophobicContact CB-CD2 4.26Å; C162-W382 HydrophobicContact CB-CG 4.04Å; C162-W382 WeakPolarHBondContact O-CZ2 3.16Å; V164-W382 PolarHBondContact O-NE1 3Å; P358-W382 HydrophobicContact CB-CB 4.14Å; P358-W382 PolarHBondContact O-N 2.99Å; W382-P384 WeakPolarHBondContact O-CD 3.43Å; W382-G387 VanDerWaalsContact CH2-C 3.42Å; W382-F389 HydrophobicContact CB-CD1 4.21Å; W382-F389 HydrophobicContact CB-CE1 3.96Å; W382-F389 HydrophobicContact CE3-CD1 4.25Å; W382-F389 HydrophobicContact CE3-CD2 4.01Å; W382-F389 HydrophobicContact CE3-CE1 4.18Å; W382-F389 AromaticContact CE3-CE2 3.93Å; W382-F389 HydrophobicContact CE3-CE2 3.93Å; W382-F389 HydrophobicContact CE3-CG 4.18Å; W382-F389 HydrophobicContact CE3-CZ 4.04Å; W382-F389 HydrophobicContact CZ3-CD2 4.28Å; W382-F389 HydrophobicContact CZ3-CE2 4.23Å; W382-N467 PolarHBondContact O-ND2 3.34Å
383	F	98.8	Very high	98.4	Very high	1 Å²	1	21.1 Å²	21.1	0%	0.004	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	99.2	177.6	-82	-119.7	0	0	0	108.9	F316 A381 G385 S386 G387 A388 R390 L392 C462 A463 E466	F316-F383 HydrophobicContact CD2-CE1 4.28Å; F316-F383 HydrophobicContact CD2-CZ 4.25Å; F316-F383 HydrophobicContact CE2-CE1 4.34Å; F316-F383 AromaticContact CE2-CZ 3.93Å; F316-F383 HydrophobicContact CE2-CZ 3.93Å; A381-F383 HydrophobicContact CB-CD2 4.41Å; A381-F383 HydrophobicContact CB-CE2 4.02Å; A381-F383 WeakPolarHBondContact O-CD2 3.42Å; F383-G385 PolarHBondContact O-N 2.77Å; F383-S386 CarbonylContact O-C 3.6Å; F383-S386 PolarHBondContact O-N 2.71Å; F383-G387 WeakPolarHBondContact O-CA 3.42Å; F383-G387 PolarHBondContact O-N 3.5Å; F383-A388 WeakPolarHBondContact CB-O 3.4Å; F383-A388 PolarHBondContact N-O 3.28Å; F383-A388 PolarHBondContact O-N 3.32Å; F383-R390 HydrophobicContact CD2-CB 3.68Å; F383-R390 HydrophobicContact CD2-CG 3.9Å; F383-R390 HydrophobicContact CE2-CB 3.55Å; F383-R390 HydrophobicContact CE2-CG 4.16Å; F383-R390 HydrophobicContact CG-CB 4.39Å; F383-R390 HydrophobicContact CG-CG 4.13Å; F383-R390 HydrophobicContact CZ-CB 4.13Å; F383-L392 HydrophobicContact CE2-CD2 4.21Å; F383-L392 HydrophobicContact CZ-CD2 4.14Å; F383-C462 HydrophobicContact CE1-CB 3.71Å; F383-C462 HydrophobicContact CZ-CB 4.31Å; F383-A463 HydrophobicContact CE1-CB 4.31Å; F383-A463 HydrophobicContact CE2-CB 3.85Å; F383-A463 HydrophobicContact CZ-CB 3.64Å; F383-E466 WeakPolarHBondContact CA-OE2 3.36Å; F383-E466 WeakPolarHBondContact CB-OE2 3.47Å; F383-E466 HydrophobicContact CD1-CG 4.37Å
384	P	98.6	Very high	98.4	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.006	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-26.8	-168.5	26.7	-37.1	0	0	0	114.8	V164 R165 K166 W382 E466	V164-P384 WeakPolarHBondContact O-CB 3.49Å; R165-P384 VanDerWaalsContact CA-O 3.31Å; R165-P384 WeakPolarHBondContact CA-O 3.48Å; R165-P384 PolarHBondContact NE-O 2.55Å; K166-P384 HydrophobicContact CB-CB 4.04Å; K166-P384 HydrophobicContact CB-CG 4.23Å; K166-P384 HydrophobicContact CD-CB 4.34Å; K166-P384 HydrophobicContact CD-CG 4Å; K166-P384 HydrophobicContact CG-CB 3.94Å; K166-P384 HydrophobicContact CG-CG 4.13Å; K166-P384 PolarHBondContact N-O 3.41Å; W382-P384 WeakPolarHBondContact O-CD 3.43Å; P384-E466 HydrophobicContact CG-CB 4.04Å; P384-E466 WeakPolarHBondContact CG-O 3.23Å
385	G	97.6	Very high	98.4	Very high	14 Å²	14	21.9 Å²	21.9	14%	0.144	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-44.6	173.2	0	0	0	0	0	111.5	Y168 F383 G387 E466	Y168-G385 WeakPolarHBondContact O-CA 3.24Å; F383-G385 PolarHBondContact O-N 2.77Å; G385-G387 VanDerWaalsContact C-N 3.35Å; G385-E466 WeakPolarHBondContact CA-OE2 3.33Å; G385-E466 PolarHBondContact N-OE2 3.37Å
386	S	97	Very high	98.4	Very high	44 Å²	44	21.4 Å²	21.4	31%	0.308	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-27.1	176.8	-62.1	0	0	0	0	113.1	F383 E466	F383-S386 CarbonylContact O-C 3.6Å; F383-S386 PolarHBondContact O-N 2.71Å; S386-E466 PolarHBondContact N-OE2 2.9Å; S386-E466 PolarHBondContact OG-OE1 2.87Å
387	G	97.7	Very high	98.4	Very high	22 Å²	22	19.9 Å²	19.9	23%	0.227	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	34.3	-178.7	0	0	0	0	0	114.3	W382 F383 G385	W382-G387 VanDerWaalsContact CH2-C 3.42Å; F383-G387 WeakPolarHBondContact O-CA 3.42Å; F383-G387 PolarHBondContact O-N 3.5Å; G385-G387 VanDerWaalsContact C-N 3.35Å
388	A	97.3	Very high	98.4	Very high	22 Å²	22	19.8 Å²	19.8	18%	0.182	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	160.6	-177	0	0	0	0	0	112.4	F383	F383-A388 WeakPolarHBondContact CB-O 3.4Å; F383-A388 PolarHBondContact N-O 3.28Å; F383-A388 PolarHBondContact O-N 3.32Å
389	F	98.3	Very high	98.4	Very high	57 Å²	57	20.1 Å²	20.1	25%	0.25	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	144	167.9	-69.8	-78.9	0	0	0	111.2	C162 H360 E380 A381 W382	C162-F389 HydrophobicContact CB-CE1 3.81Å; C162-F389 HydrophobicContact CB-CZ 3.45Å; C162-F389 VanDerWaalsContact CB-CZ 3.45Å; H360-F389 HydrophobicContact CB-CE1 4.23Å; H360-F389 AromaticContact CD2-CD1 3.44Å; H360-F389 VanDerWaalsContact CD2-CD1 3.44Å; H360-F389 WeakPolarHBondContact CD2-CD1 3.38Å; H360-F389 AromaticContact CD2-CE1 3.71Å; H360-F389 AromaticContact CD2-CG 3.81Å; H360-F389 AromaticContact CE1-CD2 3.85Å; H360-F389 AromaticContact CE1-CG 3.88Å; H360-F389 AromaticContact CG-CE1 3.81Å; H360-F389 AromaticContact NE2-CD1 3.59Å; H360-F389 AromaticContact NE2-CD2 3.89Å; H360-F389 AromaticContact NE2-CG 3.43Å; H360-F389 WeakPolarHBondContact NE2-CG 3.32Å; E380-F389 HydrophobicContact CB-CB 3.95Å; E380-F389 WeakPolarHBondContact O-CD1 3.22Å; E380-F389 WeakPolarHBondContact OE2-CB 3.39Å; A381-F389 CarbonylContact O-C 3.54Å; A381-F389 WeakPolarHBondContact O-CA 3.48Å; W382-F389 HydrophobicContact CB-CD1 4.21Å; W382-F389 HydrophobicContact CB-CE1 3.96Å; W382-F389 HydrophobicContact CE3-CD1 4.25Å; W382-F389 HydrophobicContact CE3-CD2 4.01Å; W382-F389 HydrophobicContact CE3-CE1 4.18Å; W382-F389 AromaticContact CE3-CE2 3.93Å; W382-F389 HydrophobicContact CE3-CE2 3.93Å; W382-F389 HydrophobicContact CE3-CG 4.18Å; W382-F389 HydrophobicContact CE3-CZ 4.04Å; W382-F389 HydrophobicContact CZ3-CD2 4.28Å; W382-F389 HydrophobicContact CZ3-CE2 4.23Å
390	R	97.8	Very high	98.3	Very high	87 Å²	87	21.5 Å²	21.5	33%	0.328	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	128.1	179.8	-67.5	-65.9	179.9	-97	2.4	110.3	F316 E380 A381 F383 L392	F316-R390 HydrophobicContact CE2-CB 3.82Å; F316-R390 HydrophobicContact CE2-CG 4.24Å; F316-R390 HydrophobicContact CZ-CB 3.66Å; F316-R390 HydrophobicContact CZ-CG 4.06Å; E380-R390 CarbonylContact C-O 3.5Å; E380-R390 WeakPolarHBondContact CA-O 3.26Å; A381-R390 PolarHBondContact N-O 2.74Å; A381-R390 PolarHBondContact O-N 3.4Å; F383-R390 HydrophobicContact CD2-CB 3.68Å; F383-R390 HydrophobicContact CD2-CG 3.9Å; F383-R390 HydrophobicContact CE2-CB 3.55Å; F383-R390 HydrophobicContact CE2-CG 4.16Å; F383-R390 HydrophobicContact CG-CB 4.39Å; F383-R390 HydrophobicContact CG-CG 4.13Å; F383-R390 HydrophobicContact CZ-CB 4.13Å; R390-L392 PolarHBondContact O-N 3.24Å
391	E	97.8	Very high	98.3	Very high	64 Å²	64	19.8 Å²	19.8	30%	0.299	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	122.8	179.3	-173	-142.1	163.1	0	0	112	D378 E380 S394 R459	D378-E391 HydrophobicContact CB-CG 4.35Å; E380-E391 HydrophobicContact CG-CB 4.48Å; E391-S394 PolarHBondContact OE1-OG 2.73Å; E391-R459 WeakPolarHBondContact O-CD 3.24Å; E391-R459 PolarHBondContact O-NH1 3.31Å; E391-R459 IonicContact OE2-NH1 3.31Å; E391-R459 PolarHBondContact OE2-NH1 3.33Å; E391-R459 VanDerWaalsContact OE2-NH1 3.08Å
392	L	98.5	Very high	98.2	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.016	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-29	170.3	-61.4	-168.3	0	0	0	112.7	Y352 L379 A381 F383 R390 R459 A463	Y352-L392 HydrophobicContact CD1-CD1 3.99Å; Y352-L392 HydrophobicContact CE1-CB 4.29Å; Y352-L392 HydrophobicContact CE1-CD1 3.37Å; Y352-L392 HydrophobicContact CE1-CG 4.48Å; L379-L392 PolarHBondContact O-N 3.02Å; A381-L392 HydrophobicContact CB-CD1 3.39Å; A381-L392 HydrophobicContact CB-CG 3.76Å; F383-L392 HydrophobicContact CE2-CD2 4.21Å; F383-L392 HydrophobicContact CZ-CD2 4.14Å; R390-L392 PolarHBondContact O-N 3.24Å; L392-R459 HydrophobicContact CD2-CB 3.56Å; L392-A463 HydrophobicContact CD1-CB 3.89Å
393	V	98.8	Very high	98.1	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	138.1	-178.4	175	0	0	0	0	109.8	A348 Y352 D378 L379 T453	A348-V393 HydrophobicContact CB-CG1 4.16Å; A348-V393 HydrophobicContact CB-CG2 4.28Å; Y352-V393 HydrophobicContact CD2-CG2 4.21Å; Y352-V393 HydrophobicContact CE2-CG2 3.38Å; D378-V393 CarbonylContact C-O 3.48Å; D378-V393 WeakPolarHBondContact CA-O 3.45Å; L379-V393 HydrophobicContact CB-CB 3.89Å; L379-V393 HydrophobicContact CB-CG2 4.32Å; L379-V393 PolarHBondContact N-O 3.11Å; L379-V393 PolarHBondContact O-N 3.4Å; V393-T453 WeakPolarHBondContact CG1-O 3.39Å; V393-T453 WeakPolarHBondContact CG2-O 3.43Å
394	S	98.5	Very high	98	Very high	22 Å²	22	20.4 Å²	20.4	15%	0.154	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	134.5	158.6	-78.3	0	0	0	0	108	D378 E391 A452 T453	D378-S394 WeakPolarHBondContact OD1-CA 3.44Å; D378-S394 PolarHBondContact OD1-OG 3.36Å; D378-S394 VanDerWaalsContact OD1-OG 3.11Å; E391-S394 PolarHBondContact OE1-OG 2.73Å; S394-A452 VanDerWaalsContact O-CA 3.25Å; S394-A452 WeakPolarHBondContact O-CA 3.44Å; S394-T453 PolarHBondContact O-N 3.31Å
395	C	98.9	Very high	97.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	121.1	174.8	177	0	0	0	0	109.6	F341 I345 K376 L377 N451 A452	F341-C395 VanDerWaalsContact CE2-O 3.28Å; F341-C395 WeakPolarHBondContact CE2-O 3.21Å; I345-C395 HydrophobicContact CB-CB 4.37Å; I345-C395 HydrophobicContact CD1-CB 4Å; K376-C395 CarbonylContact C-O 3.3Å; K376-C395 VanDerWaalsContact CA-O 3.27Å; K376-C395 WeakPolarHBondContact CA-O 3.1Å; K376-C395 WeakPolarHBondContact CG-O 3.31Å; L377-C395 PolarHBondContact N-O 2.66Å; L377-C395 PolarHBondContact O-N 3.21Å; C395-N451 WeakPolarHBondContact CA-O 3.33Å; C395-A452 HydrophobicContact CB-CB 3.64Å
396	S	98.8	Very high	97.8	Very high	7 Å²	7	21.4 Å²	21.4	5%	0.049	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.6	-175.3	-58.3	0	0	0	0	112.1	K376 L450 N451	K376-S396 WeakPolarHBondContact CG-OG 3.28Å; S396-L450 WeakPolarHBondContact O-CA 3.26Å; S396-N451 PolarHBondContact N-O 2.94Å; S396-N451 PolarHBondContact O-N 3.26Å; S396-N451 VanDerWaalsContact O-N 3.12Å
397	N	98.8	Very high	97.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	116.4	160.9	-174.8	-5.6	0	0	0	108.8	S337 W338 F341 S374 K375 T399 L450	S337-N397 PolarHBondContact OG-ND2 3.09Å; W338-N397 HydrophobicContact CE3-CB 4.12Å; W338-N397 HydrophobicContact CH2-CB 3.94Å; W338-N397 HydrophobicContact CZ3-CB 3.59Å; W338-N397 WeakPolarHBondContact CZ3-ND2 3.16Å; F341-N397 HydrophobicContact CB-CB 4.36Å; F341-N397 HydrophobicContact CD2-CB 3.66Å; F341-N397 HydrophobicContact CE2-CB 4.21Å; F341-N397 HydrophobicContact CG-CB 4.19Å; S374-N397 WeakPolarHBondContact CB-O 3.43Å; S374-N397 PolarHBondContact N-O 2.72Å; K375-N397 PolarHBondContact O-N 2.68Å; N397-T399 PolarHBondContact OD1-N 3.27Å; N397-L450 HydrophobicContact CB-CD2 3.75Å; N397-L450 HydrophobicContact CB-CG 4.22Å
398	C	98.6	Very high	97.8	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.007	11%	0.106	C	C	.	.			trans	-98.3	4.9	-178.9	-60.8	0	0	0	0	113.2	N137 A372 D400 Y401 Q402 M449	N137-C398 PolarHBondContact ND2-O 2.86Å; N137-C398 VanDerWaalsContact ND2-O 3.09Å; A372-C398 HydrophobicContact CB-CB 4.29Å; A372-C398 WeakPolarHBondContact O-CA 3.34Å; C398-D400 PolarHBondContact O-N 3.41Å; C398-Y401 WeakPolarHBondContact O-CB 3.21Å; C398-Y401 PolarHBondContact O-N 3.28Å; C398-Y401 VanDerWaalsContact O-N 3.08Å; C398-Q402 HydrophobicContact CB-CG 4.48Å; C398-M449 WeakPolarHBondContact CB-O 3.12Å; C398-M449 PolarHBondContact N-O 2.88Å
399	T	98.6	Very high	97.7	Very high	13 Å²	13	24.2 Å²	24.2	8%	0.08	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.6	-136.3	-174.9	64.3	0	0	0	0	110.6	N137 W338 N397 Y401 H448 M449	N137-T399 PolarHBondContact ND2-OG1 3.4Å; N137-T399 PolarHBondContact OD1-OG1 2.92Å; W338-T399 HydrophobicContact CZ2-CG2 4.07Å; N397-T399 PolarHBondContact OD1-N 3.27Å; T399-Y401 VanDerWaalsContact C-N 3.34Å; T399-H448 CarbonylContact O-C 3.48Å; T399-H448 VanDerWaalsContact O-CA 3.27Å; T399-H448 WeakPolarHBondContact O-CA 3.39Å; T399-M449 PolarHBondContact O-N 2.98Å
400	D	97.9	Very high	97.6	Very high	29 Å²	29	24 Å²	24	16%	0.155	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	1.2	178.7	70.4	-42.2	0	0	0	114.3	C398 Q402 A403 R404 F446 H448	C398-D400 PolarHBondContact O-N 3.41Å; D400-Q402 PolarHBondContact O-N 3.45Å; D400-A403 PolarHBondContact O-N 3.37Å; D400-R404 VanDerWaalsContact O-CB 3.28Å; D400-R404 WeakPolarHBondContact O-CB 3.35Å; D400-R404 PolarHBondContact O-N 3.12Å; D400-R404 IonicContact OD2-CZ 2.71Å; D400-R404 IonicContact OD2-NE 2.74Å; D400-R404 PolarHBondContact OD2-NE 2.92Å; D400-R404 IonicContact OD2-NH2 2.82Å; D400-R404 PolarHBondContact OD2-NH2 2.79Å; D400-F446 HydrophobicContact CB-CB 4.1Å; D400-H448 PolarHBondContact N-CD2 2.85Å
401	Y	97.7	Very high	97.1	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.008	9%	0.092	C	C	.	.	H	α-helix	trans	-61.1	-43.8	-170.3	-169.3	-96.6	0	0	0	113.1	M1 V2 L3 I135 N137 H371 A372 C398 T399	M1-Y401 HydrophobicContact CB-CD1 3.37Å; M1-Y401 HydrophobicContact CB-CE1 3.23Å; M1-Y401 HydrophobicContact CB-CG 4.49Å; M1-Y401 HydrophobicContact CG-CD1 4.43Å; M1-Y401 HydrophobicContact CG-CE1 4.47Å; M1-Y401 PolarHBondContact O-OH 3.3Å; V2-Y401 VanDerWaalsContact C-CE2 3.46Å; V2-Y401 PolarHBondContact N-O 2.98Å; L3-Y401 HydrophobicContact CD2-CD2 4.13Å; L3-Y401 HydrophobicContact CD2-CE2 4.48Å; L3-Y401 HydrophobicContact CG-CD2 4.13Å; L3-Y401 HydrophobicContact CG-CE2 3.99Å; I135-Y401 PolarHBondContact O-OH 3.45Å; N137-Y401 HydrophobicContact CB-CD2 3.76Å; N137-Y401 HydrophobicContact CB-CE2 4.31Å; N137-Y401 HydrophobicContact CB-CG 4.08Å; H371-Y401 HydrophobicContact CB-CE1 4.26Å; A372-Y401 VanDerWaalsContact CA-CD1 3.49Å; A372-Y401 HydrophobicContact CB-CD1 3.85Å; A372-Y401 HydrophobicContact CB-CE1 4.28Å; C398-Y401 WeakPolarHBondContact O-CB 3.21Å; C398-Y401 PolarHBondContact O-N 3.28Å; C398-Y401 VanDerWaalsContact O-N 3.08Å; T399-Y401 VanDerWaalsContact C-N 3.34Å
402	Q	96.8	Very high	95.8	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-72.4	-47.7	172.9	-79.6	176.1	-45.2	0	0	111.4	M1 E273 A372 C398 D400 R404 R405 L406 M449	M1-Q402 HydrophobicContact CG-CG 3.83Å; M1-Q402 HydrophobicContact SD-CG 3.4Å; M1-Q402 WeakPolarHBondContact SD-CG 3.45Å; E273-Q402 PolarHBondContact OE1-NE2 2.87Å; A372-Q402 HydrophobicContact CB-CG 4.48Å; C398-Q402 HydrophobicContact CB-CG 4.48Å; D400-Q402 PolarHBondContact O-N 3.45Å; Q402-R404 VanDerWaalsContact C-N 3.26Å; Q402-R404 PolarHBondContact O-N 3.08Å; Q402-R405 PolarHBondContact O-N 3.38Å; Q402-R405 VanDerWaalsContact O-N 3.1Å; Q402-L406 PolarHBondContact O-N 3.45Å; Q402-M449 HydrophobicContact CB-CB 4.49Å; Q402-M449 HydrophobicContact CB-CE 3.8Å; Q402-M449 HydrophobicContact CB-SD 3.66Å
403	A	97.9	Very high	94.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.9	-37.8	-175.5	0	0	0	0	0	112.1	D400 L406 R407 I408 F446 V447 M449	D400-A403 PolarHBondContact O-N 3.37Å; A403-L406 CarbonylContact O-C 3.51Å; A403-R407 CarbonylContact O-C 3.56Å; A403-R407 VanDerWaalsContact O-CA 3.23Å; A403-R407 WeakPolarHBondContact O-CA 3.26Å; A403-R407 PolarHBondContact O-N 3.25Å; A403-I408 HydrophobicContact CB-CB 4.24Å; A403-I408 PolarHBondContact O-N 2.9Å; A403-F446 HydrophobicContact CB-CB 3.89Å; A403-V447 HydrophobicContact CB-CG2 3.99Å; A403-V447 WeakPolarHBondContact CB-O 3.42Å; A403-M449 WeakPolarHBondContact CA-SD 3.4Å; A403-M449 HydrophobicContact CB-CG 4.26Å; A403-M449 HydrophobicContact CB-SD 3.56Å; A403-M449 VanDerWaalsContact CB-SD 3.56Å; A403-M449 PolarHBondContact N-SD 2.9Å
404	R	95.9	Very high	92	Very high	40 Å²	40	27.3 Å²	27.3	15%	0.151	13%	0.125	C	C	.	.	H	α-helix	trans	-63.4	-42.6	177.8	-174	172.3	-62.1	-90.5	-0.3	112.5	V2 D4 D400 Q402 R407 F446	V2-R404 HydrophobicContact CG2-CG 4.48Å; D4-R404 IonicContact OD1-NH1 3.41Å; D4-R404 PolarHBondContact OD1-NH1 3.41Å; D4-R404 IonicContact OD2-CZ 3.63Å; D4-R404 IonicContact OD2-NH1 3.07Å; D4-R404 PolarHBondContact OD2-NH1 3.33Å; D4-R404 IonicContact OD2-NH2 3.17Å; D4-R404 PolarHBondContact OD2-NH2 3.09Å; D400-R404 VanDerWaalsContact O-CB 3.28Å; D400-R404 WeakPolarHBondContact O-CB 3.35Å; D400-R404 PolarHBondContact O-N 3.12Å; D400-R404 IonicContact OD2-CZ 2.71Å; D400-R404 IonicContact OD2-NE 2.74Å; D400-R404 PolarHBondContact OD2-NE 2.92Å; D400-R404 IonicContact OD2-NH2 2.82Å; D400-R404 PolarHBondContact OD2-NH2 2.79Å; Q402-R404 VanDerWaalsContact C-N 3.26Å; Q402-R404 PolarHBondContact O-N 3.08Å; R404-R407 PolarHBondContact O-N 3.35Å; R404-F446 HydrophobicContact CB-CD2 4.33Å; R404-F446 HydrophobicContact CB-CE2 4.48Å; R404-F446 HydrophobicContact CB-CG 4.39Å; R404-F446 HydrophobicContact CG-CD2 4.37Å; R404-F446 HydrophobicContact CG-CE2 4.09Å; R404-F446 HydrophobicContact CG-CZ 4.31Å
405	R	94.7	Very high	89.7	Confident	36 Å²	36	34.7 Å²	34.7	14%	0.136	16%	0.155	C	C	.	.	H	α-helix	trans	-70.7	-43.8	179	178	61.4	170	-97.3	-12.2	112.1	M1 F129 Q235 E236 Q402 R407	M1-R405 VanDerWaalsContact CA-CB 3.4Å; M1-R405 HydrophobicContact CB-CB 4.49Å; F129-R405 VanDerWaalsContact CE2-NH1 3.34Å; Q235-R405 PolarHBondContact O-NH2 3.19Å; E236-R405 HydrophobicContact CB-CG 3.87Å; E236-R405 HydrophobicContact CG-CG 4.11Å; E236-R405 WeakPolarHBondContact O-CG 3.4Å; Q402-R405 PolarHBondContact O-N 3.38Å; Q402-R405 VanDerWaalsContact O-N 3.1Å; R405-R407 PolarHBondContact O-N 2.93Å
406	L	96.9	Very high	87.5	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-76.1	-8.2	176.8	-72.6	162.8	0	0	0	112.9	E236 V237 A277 A278 R281 D282 Q402 A403 I408 M449	E236-L406 HydrophobicContact CB-CD2 3.9Å; E236-L406 HydrophobicContact CB-CG 4.46Å; V237-L406 HydrophobicContact CG1-CD1 3.81Å; V237-L406 HydrophobicContact CG1-CD2 3.87Å; V237-L406 HydrophobicContact CG1-CG 4.17Å; A277-L406 HydrophobicContact CB-CD1 3.93Å; A277-L406 VanDerWaalsContact O-CD1 3.24Å; A277-L406 WeakPolarHBondContact O-CD1 3.47Å; A278-L406 HydrophobicContact CB-CD2 4.28Å; R281-L406 WeakPolarHBondContact CA-O 3.37Å; R281-L406 HydrophobicContact CB-CD2 4.18Å; R281-L406 HydrophobicContact CG-CD2 4.03Å; R281-L406 WeakPolarHBondContact CG-O 3.2Å; D282-L406 PolarHBondContact N-O 2.85Å; Q402-L406 PolarHBondContact O-N 3.45Å; A403-L406 CarbonylContact O-C 3.51Å; L406-I408 HydrophobicContact CB-CD1 3.78Å; L406-I408 HydrophobicContact CB-CG1 3.66Å; L406-I408 HydrophobicContact CD1-CD1 4.05Å; L406-M449 HydrophobicContact CD1-CE 3.85Å
407	R	96.8	Very high	85.1	Confident	107 Å²	107	43.3 Å²	43.3	40%	0.404	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	54.7	-178.8	-46.5	175	-73.5	-171.1	-2	111.8	D282 A403 R404 R405 R409	D282-R407 WeakPolarHBondContact CA-O 3.33Å; D282-R407 IonicContact OD1-CZ 2.83Å; D282-R407 IonicContact OD1-NE 3.85Å; D282-R407 PolarHBondContact OD1-NE 2.63Å; D282-R407 IonicContact OD1-NH1 2.76Å; D282-R407 IonicContact OD1-NH2 3.87Å; D282-R407 PolarHBondContact OD1-NH2 3.12Å; D282-R407 VanDerWaalsContact OD1-NH2 3.12Å; D282-R407 IonicContact OD2-CZ 3.01Å; D282-R407 IonicContact OD2-NE 2.61Å; D282-R407 IonicContact OD2-NH2 2.78Å; D282-R407 PolarHBondContact OD2-NH2 2.73Å; A403-R407 CarbonylContact O-C 3.56Å; A403-R407 VanDerWaalsContact O-CA 3.23Å; A403-R407 WeakPolarHBondContact O-CA 3.26Å; A403-R407 PolarHBondContact O-N 3.25Å; R404-R407 PolarHBondContact O-N 3.35Å; R405-R407 PolarHBondContact O-N 2.93Å; R407-R409 VanDerWaalsContact CB-CZ 3.46Å; R407-R409 WeakPolarHBondContact O-CD 3.49Å; R407-R409 PolarHBondContact O-NE 3.38Å; R407-R409 VanDerWaalsContact O-NE 3.12Å; R407-R409 PolarHBondContact O-NH1 3.38Å
408	I	97.6	Very high	82.8	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.22	C	C	.	.			trans	-101.7	99.5	178.9	-45	-175	0	0	0	108.7	A277 H280 L285 Y329 A403 L406 F446 V447 M449	A277-I408 WeakPolarHBondContact O-CD1 3.43Å; H280-I408 HydrophobicContact CB-CD1 4.13Å; H280-I408 HydrophobicContact CB-CG2 4.09Å; H280-I408 WeakPolarHBondContact O-CG1 3.43Å; L285-I408 HydrophobicContact CD1-CG2 3.7Å; L285-I408 HydrophobicContact CG-CG2 3.88Å; Y329-I408 HydrophobicContact CE1-CD1 3.76Å; Y329-I408 HydrophobicContact CE1-CG2 4.42Å; A403-I408 HydrophobicContact CB-CB 4.24Å; A403-I408 PolarHBondContact O-N 2.9Å; L406-I408 HydrophobicContact CB-CD1 3.78Å; L406-I408 HydrophobicContact CB-CG1 3.66Å; L406-I408 HydrophobicContact CD1-CD1 4.05Å; I408-F446 WeakPolarHBondContact O-CA 3.49Å; I408-F446 WeakPolarHBondContact O-CB 3.39Å; I408-F446 WeakPolarHBondContact O-CD1 3.48Å; I408-V447 HydrophobicContact CB-CG2 4.08Å; I408-V447 HydrophobicContact CG2-CG2 3.67Å; I408-V447 PolarHBondContact O-N 2.92Å; I408-M449 HydrophobicContact CD1-CE 4.16Å; I408-M449 HydrophobicContact CD1-SD 4.03Å
409	R	96.6	Very high	80.2	Confident	40 Å²	40	55.7 Å²	55.7	15%	0.151	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	150.1	-167.2	-59.3	84.8	177	-172.1	3.2	110.9	D282 E283 W284 L285 R407 V444 E445 F446	D282-R409 VanDerWaalsContact CA-NH1 3.28Å; D282-R409 PolarHBondContact O-NH1 2.96Å; D282-R409 IonicContact OD1-CZ 2.74Å; D282-R409 IonicContact OD1-NH1 3.67Å; D282-R409 IonicContact OD1-NH2 3.61Å; D282-R409 PolarHBondContact OD1-NH2 3.29Å; E283-R409 WeakPolarHBondContact O-CD 3.37Å; E283-R409 PolarHBondContact O-N 2.94Å; W284-R409 HydrophobicContact CD2-CB 3.58Å; W284-R409 HydrophobicContact CD2-CG 3.96Å; W284-R409 HydrophobicContact CE3-CB 3.43Å; W284-R409 VanDerWaalsContact CE3-CB 3.43Å; W284-R409 HydrophobicContact CE3-CG 4.09Å; W284-R409 HydrophobicContact CG-CB 4.14Å; W284-R409 HydrophobicContact CH2-CB 4.17Å; W284-R409 HydrophobicContact CH2-CG 4.01Å; W284-R409 HydrophobicContact CZ2-CB 4.27Å; W284-R409 HydrophobicContact CZ2-CG 3.83Å; W284-R409 HydrophobicContact CZ3-CB 3.76Å; W284-R409 HydrophobicContact CZ3-CG 4.13Å; L285-R409 PolarHBondContact N-O 3.26Å; R407-R409 VanDerWaalsContact CB-CZ 3.46Å; R407-R409 WeakPolarHBondContact O-CD 3.49Å; R407-R409 PolarHBondContact O-NE 3.38Å; R407-R409 VanDerWaalsContact O-NE 3.12Å; R407-R409 PolarHBondContact O-NH1 3.38Å; R409-V444 HydrophobicContact CB-CG1 3.86Å; R409-V444 HydrophobicContact CG-CG1 3.3Å; R409-E445 WeakPolarHBondContact CA-O 3.31Å; R409-F446 HydrophobicContact CG-CD1 4.36Å; R409-F446 HydrophobicContact CG-CE1 4.09Å
410	Y	95.4	Very high	77.8	Confident	52 Å²	52	61.2 Å²	61.2	20%	0.204	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	127.2	169.8	177.2	-98.8	0	0	0	110.4	P287 L290 P332 H333 E445 V447	P287-Y410 HydrophobicContact CB-CE2 4.06Å; P287-Y410 HydrophobicContact CG-CE1 4.29Å; P287-Y410 HydrophobicContact CG-CE2 4.02Å; L290-Y410 HydrophobicContact CD1-CD2 3.59Å; L290-Y410 HydrophobicContact CD1-CE2 3.69Å; P332-Y410 VanDerWaalsContact CD-CD2 3.43Å; P332-Y410 HydrophobicContact CG-CD1 4.2Å; P332-Y410 HydrophobicContact CG-CD2 4.2Å; P332-Y410 HydrophobicContact CG-CG 3.93Å; H333-Y410 AromaticContact CD2-CE1 3.4Å; H333-Y410 VanDerWaalsContact CD2-CE1 3.4Å; H333-Y410 WeakPolarHBondContact CD2-CE1 3.38Å; H333-Y410 AromaticContact CD2-CZ 3.58Å; H333-Y410 AromaticContact NE2-CD1 3.62Å; H333-Y410 AromaticContact NE2-CE1 3.21Å; H333-Y410 WeakPolarHBondContact NE2-CE1 3.18Å; H333-Y410 AromaticContact NE2-CZ 3.91Å; Y410-E445 PolarHBondContact N-O 3.37Å; Y410-V447 HydrophobicContact CD2-CG1 4.25Å
411	G	87.1	Confident	75.4	Confident	11 Å²	11	65.5 Å²	65.5	11%	0.113	29%	0.291	C	S	.	.	S	Bend	trans	90.9	-157.9	175.3	0	0	0	0	0	114.8	L285	L285-G411 PolarHBondContact O-N 3.05Å
412	Q	70.5	Confident	73	Confident	50 Å²	50	72.4 Å²	72.4	23%	0.234	33%	0.328	C	S	.	.			trans	-125.8	153.5	179.7	-66.6	-176.3	6.1	0	0	111.7	M416 M417	Q412-M416 HydrophobicContact CB-CB 4.18Å; Q412-M416 HydrophobicContact CG-CE 4.28Å; Q412-M417 HydrophobicContact CB-CG 4.41Å
413	T	64.8	Low	70.6	Confident	45 Å²	45	79 Å²	79	28%	0.276	36%	0.364	S	S	.	.			trans	-66.7	154	173.4	63.9	0	0	0	0	112.4	W284 K415 M416 M417	W284-T413 HydrophobicContact CD2-CG2 4.15Å; W284-T413 HydrophobicContact CE3-CG2 4.32Å; W284-T413 HydrophobicContact CH2-CG2 3.51Å; W284-T413 HydrophobicContact CZ2-CG2 3.31Å; W284-T413 HydrophobicContact CZ3-CG2 4.03Å; T413-K415 PolarHBondContact O-N 2.93Å; T413-M416 PolarHBondContact O-N 3.22Å; T413-M416 PolarHBondContact OG1-N 3.24Å; T413-M417 PolarHBondContact O-N 3.05Å; T413-M417 VanDerWaalsContact O-N 3.1Å
414	K	53.4	Low	68.1	Low	117 Å²	117	83.3 Å²	83.3	51%	0.509	39%	0.386	S	S	.	.	H	α-helix	trans	-49.7	-39.5	170.1	-81.3	-173	173.8	-175.1	0	112.4	M416 M417 D418 L438	K414-M416 PolarHBondContact O-N 3.32Å; K414-M417 PolarHBondContact O-N 3.37Å; K414-D418 PolarHBondContact O-N 3.09Å; K414-L438 PolarHBondContact NZ-O 2.89Å
415	K	50.6	Low	65.8	Low	177 Å²	177	93.6 Å²	93.6	77%	0.77	43%	0.425	S	S	*	.	H	α-helix	trans	-65.6	-34.5	177.6	-80.3	-175.5	176	178.7	0	113.9	T413 K419	T413-K415 PolarHBondContact O-N 2.93Å; K415-K419 PolarHBondContact O-N 2.71Å
416	M	51.9	Low	63.4	Low	93 Å²	93	98.6 Å²	98.6	46%	0.458	45%	0.448	S	S	.	.	H	α-helix	trans	-73.6	-36.6	175.2	-77.8	174.5	75	0	0	111.6	Q412 T413 K414 R420	Q412-M416 HydrophobicContact CB-CB 4.18Å; Q412-M416 HydrophobicContact CG-CE 4.28Å; T413-M416 PolarHBondContact O-N 3.22Å; T413-M416 PolarHBondContact OG1-N 3.24Å; K414-M416 PolarHBondContact O-N 3.32Å; M416-R420 PolarHBondContact O-N 3.25Å
417	M	49.1	Very low	61	Low	96 Å²	96	102.8 Å²	102.8	47%	0.473	48%	0.477	S	S	.	.	H	α-helix	trans	-67.4	-39	174.4	-71	-158.9	-79.9	0	0	112.9	Q412 T413 K414 R420 K421	Q412-M417 HydrophobicContact CB-CG 4.41Å; T413-M417 PolarHBondContact O-N 3.05Å; T413-M417 VanDerWaalsContact O-N 3.1Å; K414-M417 PolarHBondContact O-N 3.37Å; M417-R420 PolarHBondContact O-N 3.35Å; M417-K421 PolarHBondContact O-N 3.08Å
418	D	49.1	Very low	58.6	Low	91 Å²	91	103.5 Å²	103.5	49%	0.487	49%	0.494	S	S	.	.	H	α-helix	trans	-67.7	-36.8	177.8	-73.8	-24.4	0	0	0	112.7	K414 R420 K421 N422	K414-D418 PolarHBondContact O-N 3.09Å; D418-R420 VanDerWaalsContact C-N 3.3Å; D418-R420 PolarHBondContact O-N 2.86Å; D418-K421 PolarHBondContact O-N 3.22Å; D418-N422 PolarHBondContact O-N 3.3Å
419	K	45.5	Very low	56	Low	169 Å²	169	111.7 Å²	111.7	74%	0.735	53%	0.532	S	S	*	.	H	α-helix	trans	-61.9	-35.7	171	-98.2	-175	174.9	-177.5	0	112.6	K415	K415-K419 PolarHBondContact O-N 2.71Å
420	R	46.9	Very low	53.5	Low	129 Å²	129	115 Å²	115	49%	0.487	55%	0.552	S	S	.	*	H	α-helix	trans	-73.3	-40.4	178.1	-128.6	177.7	-176	-178.4	-0.2	111.6	M416 M417 D418 N422 N423 L424	M416-R420 PolarHBondContact O-N 3.25Å; M417-R420 PolarHBondContact O-N 3.35Å; D418-R420 VanDerWaalsContact C-N 3.3Å; D418-R420 PolarHBondContact O-N 2.86Å; R420-N422 VanDerWaalsContact C-N 3.28Å; R420-N422 PolarHBondContact O-N 2.77Å; R420-N423 PolarHBondContact O-N 3.04Å; R420-L424 PolarHBondContact O-N 2.77Å
421	K	47.2	Very low	51.2	Low	119 Å²	119	118.8 Å²	118.8	52%	0.517	57%	0.57	S	S	.	*	H	α-helix	trans	-60.1	-35.4	174.8	-79.7	-178.4	178.1	174.5	0	112.9	M417 D418 N423	M417-K421 PolarHBondContact O-N 3.08Å; D418-K421 PolarHBondContact O-N 3.22Å; K421-N423 PolarHBondContact O-N 3Å
422	N	47.8	Very low	48.8	Very low	147 Å²	147	125.3 Å²	125.3	79%	0.786	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-18.3	175.8	-78.8	-5.7	0	0	0	113.9	D418 R420	D418-N422 PolarHBondContact O-N 3.3Å; R420-N422 VanDerWaalsContact C-N 3.28Å; R420-N422 PolarHBondContact O-N 2.77Å
423	N	46.9	Very low	47.4	Very low	141 Å²	141	131 Å²	131	75%	0.754	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.8	-8.4	179.8	-76.9	-4.7	0	0	0	114.1	R420 K421	R420-N423 PolarHBondContact O-N 3.04Å; K421-N423 PolarHBondContact O-N 3Å
424	L	45.3	Very low	46.4	Very low	90 Å²	90	131 Å²	131	47%	0.471	63%	0.633	S	S	.	*			trans	-122.4	103.3	-174.3	-105.7	71.9	0	0	0	110.2	R420 F426	R420-L424 PolarHBondContact O-N 2.77Å; L424-F426 HydrophobicContact CB-CD2 3.7Å; L424-F426 HydrophobicContact CB-CE2 3.9Å; L424-F426 HydrophobicContact CD2-CD2 3.78Å; L424-F426 HydrophobicContact CD2-CE2 3.2Å; L424-F426 HydrophobicContact CD2-CZ 4.06Å; L424-F426 HydrophobicContact CG-CD2 3.88Å; L424-F426 HydrophobicContact CG-CE2 3.5Å; L424-F426 PolarHBondContact O-N 3.06Å
425	R	47.4	Very low	45.8	Very low	256 Å²	256	130.3 Å²	130.3	97%	0.966	63%	0.633	S	S	*	*			trans	-70.9	93.8	166.9	-77.5	-175.2	178.5	-179.9	0.2	108.9
426	F	45.3	Very low	45.1	Very low	141 Å²	141	126.9 Å²	126.9	62%	0.618	63%	0.631	S	S	*	*			trans	-103	143.2	172.8	-90.1	-101.8	0	0	0	112.4	L424	L424-F426 HydrophobicContact CB-CD2 3.7Å; L424-F426 HydrophobicContact CB-CE2 3.9Å; L424-F426 HydrophobicContact CD2-CD2 3.78Å; L424-F426 HydrophobicContact CD2-CE2 3.2Å; L424-F426 HydrophobicContact CD2-CZ 4.06Å; L424-F426 HydrophobicContact CG-CD2 3.88Å; L424-F426 HydrophobicContact CG-CE2 3.5Å; L424-F426 PolarHBondContact O-N 3.06Å
427	S	46.3	Very low	44.5	Very low	87 Å²	87	125.5 Å²	125.5	61%	0.608	63%	0.631	S	S	*	*			trans	-67	158.4	-179	57.6	0	0	0	0	112.7	Q429	S427-Q429 PolarHBondContact O-N 3.13Å
428	T	47	Very low	44.1	Very low	122 Å²	122	124.4 Å²	124.4	75%	0.748	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-64.6	-8	-165.5	23.7	0	0	0	0	116.2
429	Q	41.4	Very low	43.4	Very low	173 Å²	173	128.6 Å²	128.6	81%	0.808	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-86.3	-27.6	-172.8	-139.5	125.4	0.5	0	0	114.1	S427 K431	S427-Q429 PolarHBondContact O-N 3.13Å; Q429-K431 VanDerWaalsContact C-N 3.33Å; Q429-K431 PolarHBondContact O-N 3.31Å
430	N	45.2	Very low	42.9	Very low	108 Å²	108	124.3 Å²	124.3	58%	0.578	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-88.3	7.9	179.8	-72	-2.3	0	0	0	114.1
431	K	47.1	Very low	42.6	Very low	132 Å²	132	124 Å²	124	57%	0.574	65%	0.646	S	S	*	*	H	α-helix	trans	-79.5	-28.7	-178.4	-90.8	-178.9	176.1	177.3	0	113.5	Q429 M435	Q429-K431 VanDerWaalsContact C-N 3.33Å; Q429-K431 PolarHBondContact O-N 3.31Å; K431-M435 WeakPolarHBondContact O-CB 3.45Å; K431-M435 VanDerWaalsContact O-CG 3.23Å; K431-M435 WeakPolarHBondContact O-CG 3.36Å; K431-M435 PolarHBondContact O-N 3.42Å
432	L	36.8	Very low	43.1	Very low	149 Å²	149	125.3 Å²	125.3	78%	0.78	65%	0.652	S	S	*	*	H	α-helix	trans	-77.2	-42.1	-170.6	-131.2	76.9	0	0	0	112.7	M435	L432-M435 PolarHBondContact O-N 3.36Å
433	E	39.9	Very low	44.6	Very low	169 Å²	169	122.8 Å²	122.8	79%	0.79	63%	0.634	S	S	*	*	H	α-helix	trans	-70.3	-34.9	176.4	-71	-178.4	163.5	0	0	112.3	M435	E433-M435 VanDerWaalsContact C-N 3.28Å; E433-M435 PolarHBondContact O-N 3.21Å
434	A	45.3	Very low	46.6	Very low	45 Å²	45	119 Å²	119	37%	0.372	62%	0.616	S	S	.	*	H	α-helix	trans	-73.1	-16.6	175.9	0	0	0	0	0	113.8	S437 L438	A434-S437 PolarHBondContact O-OG 2.9Å; A434-L438 WeakPolarHBondContact O-CD1 3.23Å
435	M	39.2	Very low	48.9	Very low	102 Å²	102	118.7 Å²	118.7	50%	0.502	61%	0.612	S	S	.	*	H	α-helix	trans	-89.1	-22.7	-178.7	-85.8	-179.2	67.7	0	0	113.8	K431 L432 E433 S437 L438	K431-M435 WeakPolarHBondContact O-CB 3.45Å; K431-M435 VanDerWaalsContact O-CG 3.23Å; K431-M435 WeakPolarHBondContact O-CG 3.36Å; K431-M435 PolarHBondContact O-N 3.42Å; L432-M435 PolarHBondContact O-N 3.36Å; E433-M435 VanDerWaalsContact C-N 3.28Å; E433-M435 PolarHBondContact O-N 3.21Å; M435-S437 VanDerWaalsContact C-N 3.3Å; M435-S437 PolarHBondContact O-N 3.45Å; M435-L438 WeakPolarHBondContact O-CB 3.1Å; M435-L438 PolarHBondContact O-N 2.96Å
436	S	36.8	Very low	51.2	Low	106 Å²	106	107.9 Å²	107.9	74%	0.741	57%	0.572	S	S	*	*	H	α-helix	trans	-71.2	-26.3	178.4	81.3	0	0	0	0	112.6	L438	S436-L438 VanDerWaalsContact C-N 3.31Å; S436-L438 PolarHBondContact O-N 3.44Å
437	S	39.3	Very low	53.8	Low	64 Å²	64	101.1 Å²	101.1	45%	0.448	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	1.5	178	75.1	0	0	0	0	114.4	A434 M435	A434-S437 PolarHBondContact O-OG 2.9Å; M435-S437 VanDerWaalsContact C-N 3.3Å; M435-S437 PolarHBondContact O-N 3.45Å
438	L	39.5	Very low	56.3	Low	73 Å²	73	98.2 Å²	98.2	38%	0.382	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-16.1	-167	-123.9	85.4	0	0	0	115	K414 A434 M435 S436	K414-L438 PolarHBondContact NZ-O 2.89Å; A434-L438 WeakPolarHBondContact O-CD1 3.23Å; M435-L438 WeakPolarHBondContact O-CB 3.1Å; M435-L438 PolarHBondContact O-N 2.96Å; S436-L438 VanDerWaalsContact C-N 3.31Å; S436-L438 PolarHBondContact O-N 3.44Å
439	F	35.7	Very low	58.7	Low	179 Å²	179	92.4 Å²	92.4	79%	0.785	48%	0.483	S	S	*	.	S	Bend	trans	-106.4	11.4	-163.7	-76.6	-78.3	0	0	0	117
440	S	35	Very low	61.5	Low	79 Å²	79	84.1 Å²	84.1	55%	0.552	45%	0.445	S	S	*	.	S	Bend	trans	-116.3	141	162.5	-111.9	0	0	0	0	109.7	K442	S440-K442 PolarHBondContact O-N 3.29Å
441	P	41	Very low	64	Low	121 Å²	121	79.4 Å²	79.4	79%	0.786	42%	0.42	S	S	*	.			trans	-67.3	80.8	162.5	29.3	-29.4	0	0	0	106.9	K443	P441-K443 PolarHBondContact O-N 2.98Å; P441-K443 VanDerWaalsContact O-N 3.09Å
442	K	57.8	Low	66.5	Low	148 Å²	148	73.1 Å²	73.1	64%	0.643	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-55.7	120.5	175.8	-81.3	-166.5	173.6	-165.9	0	107.3	S440	S440-K442 PolarHBondContact O-N 3.29Å
443	K	78.9	Confident	69.4	Low	93 Å²	93	66.6 Å²	66.6	40%	0.404	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-56	147	172.3	-165.9	174.6	-179.4	179.3	0	108.4	D4 D6 P441 E445	D4-K443 IonicContact OD1-NZ 3.36Å; D4-K443 PolarHBondContact OD1-NZ 2.98Å; D4-K443 VanDerWaalsContact OD2-CE 3.29Å; D4-K443 WeakPolarHBondContact OD2-CE 3.27Å; D4-K443 IonicContact OD2-NZ 2.77Å; D4-K443 PolarHBondContact OD2-NZ 2.93Å; D6-K443 VanDerWaalsContact CB-NZ 3.26Å; D6-K443 WeakPolarHBondContact OD2-CE 3.34Å; D6-K443 IonicContact OD2-NZ 3.61Å; D6-K443 PolarHBondContact OD2-NZ 2.83Å; P441-K443 PolarHBondContact O-N 2.98Å; P441-K443 VanDerWaalsContact O-N 3.09Å; K443-E445 PolarHBondContact O-N 3.34Å
444	V	88.9	Confident	72.2	Confident	61 Å²	61	58.5 Å²	58.5	37%	0.37	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-65.5	122.9	176.8	177.3	0	0	0	0	108.5	W284 R409 F446	W284-V444 HydrophobicContact CH2-CB 4.41Å; W284-V444 HydrophobicContact CH2-CG1 3.72Å; W284-V444 HydrophobicContact CH2-CG2 3.81Å; W284-V444 HydrophobicContact CZ2-CG1 4.39Å; W284-V444 HydrophobicContact CZ3-CG1 4.1Å; R409-V444 HydrophobicContact CB-CG1 3.86Å; R409-V444 HydrophobicContact CG-CG1 3.3Å; V444-F446 HydrophobicContact CG1-CZ 4.33Å
445	E	92.9	Very high	74.8	Confident	85 Å²	85	56.4 Å²	56.4	40%	0.397	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-90.7	152.1	173.8	-63.3	178.8	108.8	0	0	109.2	H333 R409 Y410 K443	H333-E445 IonicContact CE1-OE1 3.09Å; H333-E445 PolarHBondContact CE1-OE1 2.87Å; H333-E445 VanDerWaalsContact CE1-OE1 3.24Å; H333-E445 IonicContact CE1-OE2 2.64Å; H333-E445 IonicContact NE2-OE2 2.76Å; R409-E445 WeakPolarHBondContact CA-O 3.31Å; Y410-E445 PolarHBondContact N-O 3.37Å; K443-E445 PolarHBondContact O-N 3.34Å
446	F	96.8	Very high	77.6	Confident	28 Å²	28	51.8 Å²	51.8	12%	0.123	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-116.4	150.7	-179	-62.3	-89.5	0	0	0	108.9	P332 D400 A403 R404 I408 R409 V444	P332-F446 WeakPolarHBondContact CB-O 3.43Å; P332-F446 WeakPolarHBondContact CG-O 3.38Å; D400-F446 HydrophobicContact CB-CB 4.1Å; A403-F446 HydrophobicContact CB-CB 3.89Å; R404-F446 HydrophobicContact CB-CD2 4.33Å; R404-F446 HydrophobicContact CB-CE2 4.48Å; R404-F446 HydrophobicContact CB-CG 4.39Å; R404-F446 HydrophobicContact CG-CD2 4.37Å; R404-F446 HydrophobicContact CG-CE2 4.09Å; R404-F446 HydrophobicContact CG-CZ 4.31Å; I408-F446 WeakPolarHBondContact O-CA 3.49Å; I408-F446 WeakPolarHBondContact O-CB 3.39Å; I408-F446 WeakPolarHBondContact O-CD1 3.48Å; R409-F446 HydrophobicContact CG-CD1 4.36Å; R409-F446 HydrophobicContact CG-CE1 4.09Å; V444-F446 HydrophobicContact CG1-CZ 4.33Å
447	V	98.4	Very high	80.5	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.246	C	C	.	.			trans	-65.9	159.8	174.4	-64.1	0	0	0	0	110.9	L285 L290 Y329 A403 I408 Y410 M449	L285-V447 HydrophobicContact CB-CG1 4.09Å; L285-V447 HydrophobicContact CD1-CG1 4.04Å; L285-V447 HydrophobicContact CD1-CG2 4.18Å; L285-V447 HydrophobicContact CG-CG1 4.46Å; L290-V447 HydrophobicContact CD1-CG1 3.91Å; L290-V447 HydrophobicContact CD2-CG1 4.4Å; Y329-V447 HydrophobicContact CD1-CG2 3.92Å; A403-V447 HydrophobicContact CB-CG2 3.99Å; A403-V447 WeakPolarHBondContact CB-O 3.42Å; I408-V447 HydrophobicContact CB-CG2 4.08Å; I408-V447 HydrophobicContact CG2-CG2 3.67Å; I408-V447 PolarHBondContact O-N 2.92Å; Y410-V447 HydrophobicContact CD2-CG1 4.25Å; V447-M449 HydrophobicContact CG2-CG 4.42Å
448	H	98.8	Very high	83.4	Confident	25 Å²	25	43.8 Å²	43.8	12%	0.116	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	141.4	168	-74.2	-173.3	0	0	0	110.4	S330 S337 T399 D400	S330-H448 PolarHBondContact N-O 3.15Å; S330-H448 PolarHBondContact O-N 3.48Å; S337-H448 VanDerWaalsContact CB-ND1 3.32Å; S337-H448 WeakPolarHBondContact CB-ND1 3.08Å; S337-H448 PolarHBondContact OG-ND1 3.02Å; T399-H448 CarbonylContact O-C 3.48Å; T399-H448 VanDerWaalsContact O-CA 3.27Å; T399-H448 WeakPolarHBondContact O-CA 3.39Å; D400-H448 PolarHBondContact N-CD2 2.85Å
449	M	98.8	Very high	86.2	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	133.2	-178.8	-67.8	165.9	69.9	0	0	110.1	A277 F327 V328 Y329 C398 T399 Q402 A403 L406 I408 V447	A277-M449 HydrophobicContact CB-CE 3.49Å; A277-M449 VanDerWaalsContact CB-CE 3.49Å; F327-M449 HydrophobicContact CE1-CB 4.48Å; F327-M449 HydrophobicContact CE1-CE 4.03Å; F327-M449 HydrophobicContact CZ-CB 4.16Å; F327-M449 HydrophobicContact CZ-CE 3.51Å; F327-M449 HydrophobicContact CZ-CG 4.45Å; V328-M449 WeakPolarHBondContact O-CA 3.35Å; Y329-M449 HydrophobicContact CD1-CG 3.74Å; Y329-M449 HydrophobicContact CD1-SD 4.38Å; Y329-M449 HydrophobicContact CE1-CE 3.77Å; Y329-M449 HydrophobicContact CE1-CG 3.82Å; Y329-M449 HydrophobicContact CE1-SD 3.94Å; C398-M449 WeakPolarHBondContact CB-O 3.12Å; C398-M449 PolarHBondContact N-O 2.88Å; T399-M449 PolarHBondContact O-N 2.98Å; Q402-M449 HydrophobicContact CB-CB 4.49Å; Q402-M449 HydrophobicContact CB-CE 3.8Å; Q402-M449 HydrophobicContact CB-SD 3.66Å; A403-M449 WeakPolarHBondContact CA-SD 3.4Å; A403-M449 HydrophobicContact CB-CG 4.26Å; A403-M449 HydrophobicContact CB-SD 3.56Å; A403-M449 VanDerWaalsContact CB-SD 3.56Å; A403-M449 PolarHBondContact N-SD 2.9Å; L406-M449 HydrophobicContact CD1-CE 3.85Å; I408-M449 HydrophobicContact CD1-CE 4.16Å; I408-M449 HydrophobicContact CD1-SD 4.03Å; V447-M449 HydrophobicContact CG2-CG 4.42Å
450	L	98.8	Very high	89.2	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	145.8	179	-58.8	96.6	0	0	0	110	F327 V328 S337 M340 F341 M344 S396 N397	F327-L450 WeakPolarHBondContact CA-O 3.39Å; V328-L450 PolarHBondContact N-O 3.3Å; V328-L450 PolarHBondContact O-N 3.45Å; S337-L450 WeakPolarHBondContact O-CD2 3.19Å; M340-L450 HydrophobicContact CB-CD1 4.49Å; M340-L450 HydrophobicContact CB-CD2 4.45Å; M340-L450 HydrophobicContact CG-CD1 4.31Å; M340-L450 HydrophobicContact CG-CD2 4.48Å; F341-L450 HydrophobicContact CB-CD2 3.7Å; F341-L450 HydrophobicContact CD2-CD2 4.21Å; F341-L450 HydrophobicContact CG-CD2 4.48Å; M344-L450 HydrophobicContact CE-CB 3.95Å; M344-L450 HydrophobicContact SD-CB 3.5Å; M344-L450 WeakPolarHBondContact SD-CB 2.9Å; M344-L450 HydrophobicContact SD-CD2 4.16Å; M344-L450 HydrophobicContact SD-CG 4.38Å; S396-L450 WeakPolarHBondContact O-CA 3.26Å; N397-L450 HydrophobicContact CB-CD2 3.75Å; N397-L450 HydrophobicContact CB-CG 4.22Å
451	N	98.8	Very high	92.2	Very high	9 Å²	9	29.6 Å²	29.6	5%	0.048	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	143.4	176.1	58.6	75	0	0	0	110.2	E273 Q326 F327 C395 S396	E273-N451 HydrophobicContact CB-CB 4.49Å; E273-N451 VanDerWaalsContact CD-CG 3.46Å; E273-N451 HydrophobicContact CG-CB 3.73Å; E273-N451 PolarHBondContact OE1-ND2 3.39Å; Q326-N451 CarbonylContact O-C 3.43Å; Q326-N451 WeakPolarHBondContact O-CA 3.43Å; F327-N451 HydrophobicContact CD2-CB 3.91Å; F327-N451 HydrophobicContact CE2-CB 4.17Å; C395-N451 WeakPolarHBondContact CA-O 3.33Å; S396-N451 PolarHBondContact N-O 2.94Å; S396-N451 PolarHBondContact O-N 3.26Å; S396-N451 VanDerWaalsContact O-N 3.12Å
452	A	98.8	Very high	95	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	136.7	172.5	0	0	0	0	0	111.2	E325 Q326 M344 S394 C395 M454	E325-A452 VanDerWaalsContact CD-C 3.48Å; E325-A452 VanDerWaalsContact CD-O 3.29Å; E325-A452 PolarHBondContact OE1-N 3.45Å; Q326-A452 HydrophobicContact CB-CB 4.24Å; Q326-A452 WeakPolarHBondContact CB-O 3.42Å; Q326-A452 PolarHBondContact N-O 3.05Å; Q326-A452 PolarHBondContact O-N 3.24Å; M344-A452 HydrophobicContact CB-CB 4.38Å; M344-A452 HydrophobicContact CE-CB 3.69Å; S394-A452 VanDerWaalsContact O-CA 3.25Å; S394-A452 WeakPolarHBondContact O-CA 3.44Å; C395-A452 HydrophobicContact CB-CB 3.64Å; A452-M454 PolarHBondContact O-N 2.95Å
453	T	98.7	Very high	97	Very high	11 Å²	11	16.8 Å²	16.8	7%	0.067	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	130.4	170.1	-63	0	0	0	0	109.9	K323 E325 V393 S394 A456	K323-T453 HydrophobicContact CD-CG2 3.77Å; K323-T453 HydrophobicContact CG-CG2 3.98Å; K323-T453 PolarHBondContact NZ-OG1 2.76Å; E325-T453 PolarHBondContact OE1-N 3.44Å; E325-T453 WeakPolarHBondContact OE2-CA 3.48Å; E325-T453 PolarHBondContact OE2-OG1 3.3Å; V393-T453 WeakPolarHBondContact CG1-O 3.39Å; V393-T453 WeakPolarHBondContact CG2-O 3.43Å; S394-T453 PolarHBondContact O-N 3.31Å; T453-A456 HydrophobicContact CG2-CB 4.32Å
454	M	98.6	Very high	97.9	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-45.5	169.1	-174	63.3	165.4	0	0	110.7	A211 T214 L215 I324 Q326 T347 F351 A452	A211-M454 HydrophobicContact CB-CG 4.29Å; T214-M454 HydrophobicContact CG2-CE 3.61Å; L215-M454 HydrophobicContact CD1-CB 3.99Å; L215-M454 HydrophobicContact CD1-CG 3.91Å; L215-M454 HydrophobicContact CD2-CE 3.84Å; L215-M454 HydrophobicContact CD2-CG 4.24Å; L215-M454 HydrophobicContact CD2-SD 3.93Å; L215-M454 HydrophobicContact CG-CE 4.09Å; L215-M454 HydrophobicContact CG-CG 4.07Å; L215-M454 HydrophobicContact CG-SD 4.36Å; I324-M454 HydrophobicContact CB-CB 4.32Å; I324-M454 HydrophobicContact CG2-CB 4.03Å; I324-M454 HydrophobicContact CG2-CG 4.45Å; I324-M454 WeakPolarHBondContact O-CA 3.2Å; I324-M454 WeakPolarHBondContact O-CB 3.37Å; I324-M454 PolarHBondContact O-N 3.27Å; Q326-M454 HydrophobicContact CG-CB 4.22Å; T347-M454 HydrophobicContact CG2-CE 4Å; T347-M454 HydrophobicContact CG2-SD 4.18Å; F351-M454 HydrophobicContact CB-CE 3.45Å; F351-M454 VanDerWaalsContact CB-CE 3.45Å; F351-M454 HydrophobicContact CB-SD 4.08Å; F351-M454 HydrophobicContact CD2-CE 3.63Å; F351-M454 HydrophobicContact CE2-CE 4.49Å; F351-M454 HydrophobicContact CG-CE 3.65Å; F351-M454 HydrophobicContact CG-SD 4.27Å; A452-M454 PolarHBondContact O-N 2.95Å
455	C	98.8	Very high	98.4	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	110.7	-179.3	178.9	0	0	0	0	110.1	A211 K323 I324 F351	A211-C455 HydrophobicContact CB-CB 4.2Å; K323-C455 WeakPolarHBondContact CA-O 3.45Å; I324-C455 HydrophobicContact CB-CB 4.5Å; I324-C455 HydrophobicContact CD1-CB 4.23Å; I324-C455 PolarHBondContact N-O 2.94Å; I324-C455 PolarHBondContact O-N 3.11Å; I324-C455 VanDerWaalsContact O-N 3.14Å; F351-C455 HydrophobicContact CE1-CB 3.92Å; F351-C455 HydrophobicContact CZ-CB 4.05Å
456	A	98.6	Very high	98.7	Very high	6 Å²	6	5.4 Å²	5.4	5%	0.05	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	111.8	158.9	0	0	0	0	0	108.1	T453 T458 R459 T460	T453-A456 HydrophobicContact CG2-CB 4.32Å; A456-T458 PolarHBondContact O-N 3.28Å; A456-R459 HydrophobicContact CB-CB 4.46Å; A456-R459 PolarHBondContact O-N 3.06Å; A456-T460 WeakPolarHBondContact O-CB 3.26Å; A456-T460 PolarHBondContact O-N 2.85Å; A456-T460 PolarHBondContact O-OG1 3.48Å
457	T	98.7	Very high	98.8	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-62.6	-48.4	-162.6	58.8	0	0	0	0	112	E204 I208 E322 I324 R459 T460 I461	E204-T457 HydrophobicContact CG-CG2 4.09Å; I208-T457 HydrophobicContact CD1-CG2 4.36Å; I208-T457 HydrophobicContact CG1-CG2 3.84Å; E322-T457 HydrophobicContact CB-CG2 3.74Å; E322-T457 WeakPolarHBondContact CB-OG1 3.34Å; E322-T457 PolarHBondContact O-N 2.95Å; E322-T457 PolarHBondContact O-OG1 3.08Å; I324-T457 HydrophobicContact CD1-CG2 4.14Å; T457-R459 PolarHBondContact O-N 3.15Å; T457-T460 PolarHBondContact O-N 3.09Å; T457-I461 WeakPolarHBondContact O-CB 3.41Å; T457-I461 VanDerWaalsContact O-CG1 3.26Å; T457-I461 WeakPolarHBondContact O-CG1 3.41Å; T457-I461 PolarHBondContact O-N 2.86Å
458	T	98.6	Very high	98.8	Very high	2 Å²	2	7.6 Å²	7.6	1%	0.012	4%	0.035	C	C	.	.	H	α-helix	trans	-64.3	-42.7	-176.7	57.2	0	0	0	0	112.8	I315 F321 A456 I461 C462	I315-T458 VanDerWaalsContact O-CB 3.26Å; I315-T458 WeakPolarHBondContact O-CB 3.42Å; I315-T458 PolarHBondContact O-OG1 3.02Å; F321-T458 HydrophobicContact CB-CG2 3.98Å; A456-T458 PolarHBondContact O-N 3.28Å; T458-I461 PolarHBondContact O-N 3.04Å; T458-C462 PolarHBondContact O-N 2.82Å; T458-C462 VanDerWaalsContact O-N 3.09Å; T458-C462 PolarHBondContact O-SG 3.02Å
459	R	98.6	Very high	98.8	Very high	32 Å²	32	7 Å²	7	12%	0.121	3%	0.033	C	C	.	.	H	α-helix	trans	-66.9	-40.4	175.2	-65.2	-167.3	-179.5	179.3	7.7	111.9	F316 E391 L392 A456 T457 C462 A463	F316-R459 HydrophobicContact CD2-CB 4.2Å; F316-R459 HydrophobicContact CD2-CG 3.89Å; F316-R459 HydrophobicContact CE2-CB 4.08Å; F316-R459 HydrophobicContact CE2-CG 3.84Å; F316-R459 HydrophobicContact CG-CG 4.42Å; F316-R459 HydrophobicContact CZ-CG 4.34Å; F316-R459 WeakPolarHBondContact O-CG 3.27Å; F316-R459 PolarHBondContact O-NE 3.35Å; E391-R459 WeakPolarHBondContact O-CD 3.24Å; E391-R459 PolarHBondContact O-NH1 3.31Å; E391-R459 IonicContact OE2-NH1 3.31Å; E391-R459 PolarHBondContact OE2-NH1 3.33Å; E391-R459 VanDerWaalsContact OE2-NH1 3.08Å; L392-R459 HydrophobicContact CD2-CB 3.56Å; A456-R459 HydrophobicContact CB-CB 4.46Å; A456-R459 PolarHBondContact O-N 3.06Å; T457-R459 PolarHBondContact O-N 3.15Å; R459-C462 WeakPolarHBondContact O-CB 3.41Å; R459-C462 PolarHBondContact O-N 3.5Å; R459-A463 PolarHBondContact O-N 3.32Å
460	T	98.9	Very high	98.7	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-67.2	-38.3	177.7	-56.5	0	0	0	0	111.8	L207 Y352 L355 A456 T457 C462 A463 I464	L207-T460 HydrophobicContact CD1-CG2 4.04Å; L207-T460 HydrophobicContact CD2-CG2 3.72Å; Y352-T460 HydrophobicContact CE1-CG2 3.94Å; Y352-T460 PolarHBondContact OH-OG1 3.15Å; L355-T460 HydrophobicContact CD1-CG2 4.32Å; A456-T460 WeakPolarHBondContact O-CB 3.26Å; A456-T460 PolarHBondContact O-N 2.85Å; A456-T460 PolarHBondContact O-OG1 3.48Å; T457-T460 PolarHBondContact O-N 3.09Å; T460-C462 VanDerWaalsContact C-N 3.32Å; T460-C462 PolarHBondContact O-N 3.35Å; T460-A463 PolarHBondContact O-N 3.06Å; T460-I464 HydrophobicContact CG2-CD1 4.13Å; T460-I464 WeakPolarHBondContact O-CG1 3.49Å; T460-I464 PolarHBondContact O-N 3.12Å
461	I	98.9	Very high	98.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-56.9	-48.7	169.7	-72.2	166.2	0	0	0	109.6	L196 L200 L203 E204 L207 I315 T457 T458 A463 I464 L465	L196-I461 HydrophobicContact CD2-CD1 4.5Å; L200-I461 HydrophobicContact CD2-CG2 4.13Å; L203-I461 HydrophobicContact CD2-CG1 4.16Å; L203-I461 HydrophobicContact CD2-CG2 4.21Å; L203-I461 HydrophobicContact CG-CG1 4.28Å; E204-I461 HydrophobicContact CB-CD1 3.91Å; E204-I461 HydrophobicContact CG-CD1 4.3Å; L207-I461 HydrophobicContact CD1-CD1 4.46Å; L207-I461 HydrophobicContact CD1-CG1 3.63Å; I315-I461 HydrophobicContact CD1-CB 4.5Å; I315-I461 HydrophobicContact CD1-CG2 4.1Å; T457-I461 WeakPolarHBondContact O-CB 3.41Å; T457-I461 VanDerWaalsContact O-CG1 3.26Å; T457-I461 WeakPolarHBondContact O-CG1 3.41Å; T457-I461 PolarHBondContact O-N 2.86Å; T458-I461 PolarHBondContact O-N 3.04Å; I461-A463 VanDerWaalsContact C-N 3.29Å; I461-A463 PolarHBondContact O-N 3.19Å; I461-I464 PolarHBondContact O-N 3.43Å; I461-I464 VanDerWaalsContact O-N 3.16Å; I461-L465 HydrophobicContact CG2-CD1 3.81Å; I461-L465 HydrophobicContact CG2-CG 4.05Å; I461-L465 VanDerWaalsContact O-CG 3.23Å; I461-L465 WeakPolarHBondContact O-CG 3.42Å; I461-L465 PolarHBondContact O-N 3.24Å
462	C	98.9	Very high	98.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-58	-42.3	178.7	-64	0	0	0	0	112.2	H170 I315 F316 F383 T458 R459 T460 L465 E466	H170-C462 HydrophobicContact CB-CB 3.62Å; H170-C462 PolarHBondContact ND1-SG 2.92Å; I315-C462 WeakPolarHBondContact CG1-SG 3.41Å; F316-C462 HydrophobicContact CD2-CB 4.44Å; F383-C462 HydrophobicContact CE1-CB 3.71Å; F383-C462 HydrophobicContact CZ-CB 4.31Å; T458-C462 PolarHBondContact O-N 2.82Å; T458-C462 VanDerWaalsContact O-N 3.09Å; T458-C462 PolarHBondContact O-SG 3.02Å; R459-C462 WeakPolarHBondContact O-CB 3.41Å; R459-C462 PolarHBondContact O-N 3.5Å; T460-C462 VanDerWaalsContact C-N 3.32Å; T460-C462 PolarHBondContact O-N 3.35Å; C462-L465 PolarHBondContact O-N 2.91Å; C462-E466 PolarHBondContact O-N 2.96Å; C462-E466 VanDerWaalsContact O-N 3.12Å
463	A	98.9	Very high	98.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.9	-44	176.3	0	0	0	0	0	112.2	I357 F383 L392 R459 T460 I461 E466 N467	I357-A463 HydrophobicContact CG2-CB 4.22Å; F383-A463 HydrophobicContact CE1-CB 4.31Å; F383-A463 HydrophobicContact CE2-CB 3.85Å; F383-A463 HydrophobicContact CZ-CB 3.64Å; L392-A463 HydrophobicContact CD1-CB 3.89Å; R459-A463 PolarHBondContact O-N 3.32Å; T460-A463 PolarHBondContact O-N 3.06Å; I461-A463 VanDerWaalsContact C-N 3.29Å; I461-A463 PolarHBondContact O-N 3.19Å; A463-E466 PolarHBondContact O-N 3.33Å; A463-N467 VanDerWaalsContact O-CB 3.31Å; A463-N467 WeakPolarHBondContact O-CB 3.39Å; A463-N467 PolarHBondContact O-N 2.88Å; A463-N467 PolarHBondContact O-ND2 3.38Å
464	I	98.9	Very high	98.6	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-62.9	-47.9	176.8	-71.4	166.7	0	0	0	110.6	L203 L207 I357 T460 I461 E466 N467 Y468 I474 P477 L480	L203-I464 HydrophobicContact CD2-CG2 4.42Å; L207-I464 HydrophobicContact CD1-CD1 4.22Å; L207-I464 HydrophobicContact CD2-CD1 3.92Å; L207-I464 HydrophobicContact CG-CD1 4.41Å; I357-I464 HydrophobicContact CD1-CG1 4.07Å; T460-I464 HydrophobicContact CG2-CD1 4.13Å; T460-I464 WeakPolarHBondContact O-CG1 3.49Å; T460-I464 PolarHBondContact O-N 3.12Å; I461-I464 PolarHBondContact O-N 3.43Å; I461-I464 VanDerWaalsContact O-N 3.16Å; I464-E466 VanDerWaalsContact C-N 3.32Å; I464-E466 PolarHBondContact O-N 3.42Å; I464-N467 PolarHBondContact O-N 2.69Å; I464-Y468 HydrophobicContact CG2-CD2 4.24Å; I464-Y468 VanDerWaalsContact O-CB 3.31Å; I464-Y468 WeakPolarHBondContact O-CB 3.41Å; I464-Y468 PolarHBondContact O-N 3.45Å; I464-I474 HydrophobicContact CG2-CG2 4.43Å; I464-P477 HydrophobicContact CD1-CG 4.26Å; I464-P477 HydrophobicContact CG1-CG 4.2Å; I464-P477 HydrophobicContact CG2-CG 3.84Å; I464-L480 HydrophobicContact CD1-CD1 3.72Å
465	L	98.9	Very high	98.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-55.5	-49.5	179.9	-66.7	176.4	0	0	0	110.6	L173 V174 L200 I461 C462 Q469 I474	L173-L465 HydrophobicContact CB-CB 4.09Å; L173-L465 HydrophobicContact CB-CD1 4.35Å; L173-L465 HydrophobicContact CD1-CB 3.97Å; L173-L465 WeakPolarHBondContact CD1-O 3.49Å; V174-L465 HydrophobicContact CB-CD1 4.41Å; V174-L465 HydrophobicContact CG1-CD1 3.37Å; L200-L465 HydrophobicContact CD2-CD1 4.49Å; L200-L465 HydrophobicContact CD2-CD2 4.05Å; I461-L465 HydrophobicContact CG2-CD1 3.81Å; I461-L465 HydrophobicContact CG2-CG 4.05Å; I461-L465 VanDerWaalsContact O-CG 3.23Å; I461-L465 WeakPolarHBondContact O-CG 3.42Å; I461-L465 PolarHBondContact O-N 3.24Å; C462-L465 PolarHBondContact O-N 2.91Å; L465-Q469 WeakPolarHBondContact O-CB 3.38Å; L465-Q469 PolarHBondContact O-N 3.24Å; L465-Q469 VanDerWaalsContact O-N 3.17Å; L465-I474 HydrophobicContact CD2-CB 4.36Å; L465-I474 HydrophobicContact CD2-CD1 4.24Å; L465-I474 HydrophobicContact CD2-CG1 3.68Å; L465-I474 HydrophobicContact CD2-CG2 4.15Å; L465-I474 WeakPolarHBondContact O-CD1 3.49Å
466	E	98.8	Very high	98.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-67.6	-43.3	179.9	-70.9	-162.8	-161.1	0	0	113	K166 S169 H170 L173 F383 P384 G385 S386 C462 A463 I464 Q469	K166-E466 VanDerWaalsContact CD-O 3.26Å; K166-E466 WeakPolarHBondContact CD-O 3.43Å; S169-E466 WeakPolarHBondContact CA-OE1 3.41Å; H170-E466 HydrophobicContact CB-CG 3.96Å; H170-E466 IonicContact CD2-OE1 3.66Å; H170-E466 PolarHBondContact CD2-OE1 3.01Å; H170-E466 IonicContact CG-OE1 2.97Å; H170-E466 PolarHBondContact N-OE1 2.63Å; L173-E466 HydrophobicContact CD1-CG 4.15Å; F383-E466 WeakPolarHBondContact CA-OE2 3.36Å; F383-E466 WeakPolarHBondContact CB-OE2 3.47Å; F383-E466 HydrophobicContact CD1-CG 4.37Å; P384-E466 HydrophobicContact CG-CB 4.04Å; P384-E466 WeakPolarHBondContact CG-O 3.23Å; G385-E466 WeakPolarHBondContact CA-OE2 3.33Å; G385-E466 PolarHBondContact N-OE2 3.37Å; S386-E466 PolarHBondContact N-OE2 2.9Å; S386-E466 PolarHBondContact OG-OE1 2.87Å; C462-E466 PolarHBondContact O-N 2.96Å; C462-E466 VanDerWaalsContact O-N 3.12Å; A463-E466 PolarHBondContact O-N 3.33Å; I464-E466 VanDerWaalsContact C-N 3.32Å; I464-E466 PolarHBondContact O-N 3.42Å; E466-Q469 WeakPolarHBondContact O-CG 3.41Å; E466-Q469 PolarHBondContact O-NE2 3.5Å
467	N	98.8	Very high	98.6	Very high	21 Å²	21	28.4 Å²	28.4	11%	0.112	13%	0.133	C	C	.	.	H	α-helix	trans	-75.3	-24.9	-176	-79.2	-75.6	0	0	0	113.6	K166 I357 P358 W382 A463 I464	K166-N467 PolarHBondContact NZ-O 3.33Å; I357-N467 HydrophobicContact CD1-CB 3.94Å; P358-N467 WeakPolarHBondContact CD-OD1 2.99Å; W382-N467 PolarHBondContact O-ND2 3.34Å; A463-N467 VanDerWaalsContact O-CB 3.31Å; A463-N467 WeakPolarHBondContact O-CB 3.39Å; A463-N467 PolarHBondContact O-N 2.88Å; A463-N467 PolarHBondContact O-ND2 3.38Å; I464-N467 PolarHBondContact O-N 2.69Å
468	Y	98.8	Very high	98.6	Very high	52 Å²	52	34.9 Å²	34.9	20%	0.204	16%	0.163	C	C	.	.	H	α-helix	trans	-110.2	7	-177.2	-75.8	-97.4	0	0	0	114.5	L355 I357 I464 I475 P477	L355-Y468 VanDerWaalsContact O-CE2 3.26Å; L355-Y468 WeakPolarHBondContact O-CE2 3.19Å; L355-Y468 PolarHBondContact O-OH 3.38Å; I357-Y468 HydrophobicContact CD1-CD2 4.37Å; I357-Y468 HydrophobicContact CD1-CE2 3.99Å; I464-Y468 HydrophobicContact CG2-CD2 4.24Å; I464-Y468 VanDerWaalsContact O-CB 3.31Å; I464-Y468 WeakPolarHBondContact O-CB 3.41Å; I464-Y468 PolarHBondContact O-N 3.45Å; Y468-I475 WeakPolarHBondContact CB-O 3.23Å; Y468-I475 HydrophobicContact CD1-CB 3.93Å; Y468-I475 HydrophobicContact CD1-CG2 3.94Å; Y468-I475 WeakPolarHBondContact CD1-O 3.37Å; Y468-I475 HydrophobicContact CE1-CG2 4.48Å; Y468-I475 PolarHBondContact O-N 3.39Å; Y468-P477 HydrophobicContact CD1-CG 4.42Å; Y468-P477 HydrophobicContact CD2-CG 4.04Å; Y468-P477 HydrophobicContact CE1-CB 4.34Å; Y468-P477 HydrophobicContact CE1-CG 4.22Å; Y468-P477 HydrophobicContact CE2-CB 4.35Å; Y468-P477 HydrophobicContact CE2-CG 3.81Å; Y468-P477 HydrophobicContact CG-CG 4.35Å
469	Q	98.6	Very high	98.6	Very high	14 Å²	14	39.1 Å²	39.1	7%	0.065	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-62.9	144	174.2	71.5	-173.4	-75.6	0	0	112.8	K166 Y168 L173 L465 E466 I474	K166-Q469 HydrophobicContact CB-CG 4.15Å; K166-Q469 HydrophobicContact CD-CG 3.83Å; Y168-Q469 PolarHBondContact O-NE2 3.46Å; L173-Q469 HydrophobicContact CD1-CB 4.23Å; L173-Q469 HydrophobicContact CD2-CB 4.18Å; L465-Q469 WeakPolarHBondContact O-CB 3.38Å; L465-Q469 PolarHBondContact O-N 3.24Å; L465-Q469 VanDerWaalsContact O-N 3.17Å; E466-Q469 WeakPolarHBondContact O-CG 3.41Å; E466-Q469 PolarHBondContact O-NE2 3.5Å; Q469-I474 HydrophobicContact CB-CD1 3.69Å
470	T	98.2	Very high	98.6	Very high	54 Å²	54	37.6 Å²	37.6	33%	0.331	18%	0.176	S	C	.	.			trans	-133.6	-174.6	173.1	68.3	0	0	0	0	109	K472 G473 I475 F494	T470-K472 VanDerWaalsContact C-N 3.28Å; T470-K472 PolarHBondContact O-N 3.4Å; T470-K472 PolarHBondContact OG1-N 3.25Å; T470-G473 PolarHBondContact N-O 3.29Å; T470-G473 PolarHBondContact OG1-N 3.29Å; T470-G473 PolarHBondContact OG1-O 3.17Å; T470-I475 HydrophobicContact CG2-CD1 3.53Å; T470-I475 HydrophobicContact CG2-CG1 3.78Å; T470-F494 VanDerWaalsContact O-CE2 3.29Å; T470-F494 WeakPolarHBondContact O-CE2 3.5Å
471	E	97.1	Very high	98.6	Very high	193 Å²	193	42 Å²	42	90%	0.902	19%	0.192	S	C	*	.	S	Bend	trans	-67.2	-27	172	-62.1	-178.4	170.4	0	0	113.4
472	K	97.4	Very high	98.5	Very high	162 Å²	162	48.6 Å²	48.6	70%	0.704	22%	0.223	S	C	*	.	S	Bend	trans	-97.4	-21.3	-173.1	-64	-176.2	180	179	0	113.9	T470 L491 F494	T470-K472 VanDerWaalsContact C-N 3.28Å; T470-K472 PolarHBondContact O-N 3.4Å; T470-K472 PolarHBondContact OG1-N 3.25Å; K472-L491 HydrophobicContact CB-CD2 4.12Å; K472-F494 PolarHBondContact O-N 3.32Å
473	G	98.3	Very high	98.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.6	-158.7	-171.2	0	0	0	0	0	112.4	T470 I492	T470-G473 PolarHBondContact N-O 3.29Å; T470-G473 PolarHBondContact OG1-N 3.29Å; T470-G473 PolarHBondContact OG1-O 3.17Å; G473-I492 CarbonylContact C-O 3.55Å; G473-I492 WeakPolarHBondContact CA-O 3.48Å
474	I	98.9	Very high	98.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	120.2	-179.5	-47	-59.1	0	0	0	109.3	L173 V177 I464 L465 Q469 L491 I492 F494	L173-I474 HydrophobicContact CD1-CD1 4.41Å; L173-I474 HydrophobicContact CD2-CD1 4Å; V177-I474 HydrophobicContact CG1-CG1 4.02Å; I464-I474 HydrophobicContact CG2-CG2 4.43Å; L465-I474 HydrophobicContact CD2-CB 4.36Å; L465-I474 HydrophobicContact CD2-CD1 4.24Å; L465-I474 HydrophobicContact CD2-CG1 3.68Å; L465-I474 HydrophobicContact CD2-CG2 4.15Å; L465-I474 WeakPolarHBondContact O-CD1 3.49Å; Q469-I474 HydrophobicContact CB-CD1 3.69Å; I474-L491 CarbonylContact O-C 3.59Å; I474-L491 WeakPolarHBondContact O-CA 3.21Å; I474-I492 HydrophobicContact CB-CB 4.3Å; I474-I492 PolarHBondContact N-O 3.31Å; I474-I492 PolarHBondContact O-N 3.1Å; I474-F494 HydrophobicContact CD1-CE1 3.84Å; I474-F494 HydrophobicContact CD1-CZ 3.94Å; I474-F494 HydrophobicContact CG1-CE1 4.22Å
475	I	98.9	Very high	98.5	Very high	64 Å²	64	52.2 Å²	52.2	33%	0.328	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	134.6	173.5	-67.6	168.6	0	0	0	108.7	Y468 T470 P477 L491	Y468-I475 WeakPolarHBondContact CB-O 3.23Å; Y468-I475 HydrophobicContact CD1-CB 3.93Å; Y468-I475 HydrophobicContact CD1-CG2 3.94Å; Y468-I475 WeakPolarHBondContact CD1-O 3.37Å; Y468-I475 HydrophobicContact CE1-CG2 4.48Å; Y468-I475 PolarHBondContact O-N 3.39Å; T470-I475 HydrophobicContact CG2-CD1 3.53Å; T470-I475 HydrophobicContact CG2-CG1 3.78Å; I475-P477 WeakPolarHBondContact O-CD 3.36Å; I475-L491 HydrophobicContact CG1-CD1 4.03Å
476	V	98.8	Very high	98.4	Very high	1 Å²	1	58 Å²	58	1%	0.006	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-78	125.7	175.1	178.3	0	0	0	0	109.5	L480 R481 M484 L488 Q489 E490 I492	V476-L480 HydrophobicContact CG1-CB 4.05Å; V476-R481 HydrophobicContact CB-CG 4.39Å; V476-R481 HydrophobicContact CG1-CG 3.93Å; V476-R481 PolarHBondContact O-NE 3.01Å; V476-R481 VanDerWaalsContact O-NE 3.1Å; V476-R481 PolarHBondContact O-NH2 3.3Å; V476-M484 HydrophobicContact CG1-CG 3.83Å; V476-M484 HydrophobicContact CG2-CE 4.33Å; V476-L488 WeakPolarHBondContact CG2-O 3.43Å; V476-Q489 WeakPolarHBondContact CB-O 3.5Å; V476-E490 PolarHBondContact N-O 3.48Å; V476-I492 HydrophobicContact CG2-CD1 4.15Å; V476-I492 HydrophobicContact CG2-CG1 3.85Å
477	P	98.7	Very high	98.3	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.006	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-53.5	140.1	175	-25.7	33.4	0	0	0	111.7	L355 I464 Y468 I475 K479 L480 R481	L355-P477 HydrophobicContact CD2-CB 4.28Å; I464-P477 HydrophobicContact CD1-CG 4.26Å; I464-P477 HydrophobicContact CG1-CG 4.2Å; I464-P477 HydrophobicContact CG2-CG 3.84Å; Y468-P477 HydrophobicContact CD1-CG 4.42Å; Y468-P477 HydrophobicContact CD2-CG 4.04Å; Y468-P477 HydrophobicContact CE1-CB 4.34Å; Y468-P477 HydrophobicContact CE1-CG 4.22Å; Y468-P477 HydrophobicContact CE2-CB 4.35Å; Y468-P477 HydrophobicContact CE2-CG 3.81Å; Y468-P477 HydrophobicContact CG-CG 4.35Å; I475-P477 WeakPolarHBondContact O-CD 3.36Å; P477-K479 VanDerWaalsContact C-N 3.28Å; P477-K479 PolarHBondContact O-N 2.95Å; P477-K479 VanDerWaalsContact O-N 3.16Å; P477-L480 HydrophobicContact CB-CD1 4.28Å; P477-L480 HydrophobicContact CB-CG 4.27Å; P477-L480 HydrophobicContact CG-CD1 4.04Å; P477-L480 PolarHBondContact O-N 3.29Å; P477-R481 WeakPolarHBondContact O-CG 3.47Å; P477-R481 PolarHBondContact O-N 2.94Å
478	E	98.4	Very high	98.2	Very high	135 Å²	135	62 Å²	62	63%	0.631	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-51.7	-44.8	-171.8	-171	-167.6	137	0	0	113	L480 R481	E478-L480 PolarHBondContact O-N 3.35Å; E478-R481 WeakPolarHBondContact O-CG 3.37Å; E478-R481 PolarHBondContact O-N 3.45Å
479	K	98.5	Very high	98.2	Very high	91 Å²	91	63.5 Å²	63.5	40%	0.396	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-69	-18.6	-179.1	-60.8	-55.4	-178	-160.4	0	114.3	Y210 S354 P477 F483	Y210-K479 HydrophobicContact CD1-CB 4.44Å; Y210-K479 HydrophobicContact CD2-CB 4.36Å; Y210-K479 HydrophobicContact CE1-CB 3.92Å; Y210-K479 HydrophobicContact CE2-CB 3.84Å; Y210-K479 HydrophobicContact CE2-CG 4.37Å; S354-K479 WeakPolarHBondContact O-CG 3.34Å; P477-K479 VanDerWaalsContact C-N 3.28Å; P477-K479 PolarHBondContact O-N 2.95Å; P477-K479 VanDerWaalsContact O-N 3.16Å; K479-F483 VanDerWaalsContact O-CE2 3.3Å; K479-F483 WeakPolarHBondContact O-CE2 3.35Å
480	L	98.8	Very high	98.2	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-90	-17.4	178.9	-59.9	-175.4	0	0	0	112.8	L203 A206 L207 Y210 L355 I464 V476 P477 E478 E482 F483 M484	L203-L480 HydrophobicContact CD1-CD1 3.83Å; A206-L480 HydrophobicContact CB-CB 4.41Å; L207-L480 HydrophobicContact CD2-CD1 3.87Å; L207-L480 HydrophobicContact CD2-CD2 4.11Å; L207-L480 HydrophobicContact CG-CD1 4.14Å; Y210-L480 HydrophobicContact CD1-CD2 3.84Å; Y210-L480 HydrophobicContact CG-CD2 3.96Å; L355-L480 HydrophobicContact CD2-CD1 4.05Å; L355-L480 HydrophobicContact CD2-CD2 3.91Å; L355-L480 HydrophobicContact CD2-CG 3.77Å; I464-L480 HydrophobicContact CD1-CD1 3.72Å; V476-L480 HydrophobicContact CG1-CB 4.05Å; P477-L480 HydrophobicContact CB-CD1 4.28Å; P477-L480 HydrophobicContact CB-CG 4.27Å; P477-L480 HydrophobicContact CG-CD1 4.04Å; P477-L480 PolarHBondContact O-N 3.29Å; E478-L480 PolarHBondContact O-N 3.35Å; L480-E482 VanDerWaalsContact C-N 3.29Å; L480-E482 PolarHBondContact O-N 3.28Å; L480-F483 PolarHBondContact O-N 3.41Å; L480-M484 WeakPolarHBondContact O-CG 3.27Å; L480-M484 PolarHBondContact O-N 3.14Å
481	R	98.6	Very high	98.2	Very high	92 Å²	92	69.7 Å²	69.7	35%	0.347	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-60.3	-36	-173.4	-54.8	-167.6	177.5	166.4	-1.3	113.5	V476 P477 E478 F483 M484 Q489	V476-R481 HydrophobicContact CB-CG 4.39Å; V476-R481 HydrophobicContact CG1-CG 3.93Å; V476-R481 PolarHBondContact O-NE 3.01Å; V476-R481 VanDerWaalsContact O-NE 3.1Å; V476-R481 PolarHBondContact O-NH2 3.3Å; P477-R481 WeakPolarHBondContact O-CG 3.47Å; P477-R481 PolarHBondContact O-N 2.94Å; E478-R481 WeakPolarHBondContact O-CG 3.37Å; E478-R481 PolarHBondContact O-N 3.45Å; R481-F483 PolarHBondContact O-N 3.11Å; R481-M484 PolarHBondContact O-N 2.68Å; R481-Q489 WeakPolarHBondContact CD-O 3.4Å; R481-Q489 WeakPolarHBondContact CG-O 3.48Å
482	E	98.2	Very high	98.3	Very high	140 Å²	140	60.6 Å²	60.6	65%	0.654	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-59.6	-30.2	177.4	-170.5	-167.8	146.1	0	0	112.2	R213 L480	R213-E482 IonicContact CZ-OE1 3.17Å; R213-E482 IonicContact NH1-OE1 3.47Å; R213-E482 PolarHBondContact NH1-OE1 3.47Å; L480-E482 VanDerWaalsContact C-N 3.29Å; L480-E482 PolarHBondContact O-N 3.28Å
483	F	98.5	Very high	98.3	Very high	40 Å²	40	55.6 Å²	55.6	18%	0.175	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-97.3	-7.4	-175.6	-49.5	-74.1	0	0	0	113.3	A206 Q209 Y210 K479 L480 R481	A206-F483 HydrophobicContact CB-CB 3.62Å; Q209-F483 HydrophobicContact CB-CD1 3.64Å; Q209-F483 HydrophobicContact CB-CE1 3.95Å; Q209-F483 HydrophobicContact CB-CG 4.15Å; Q209-F483 HydrophobicContact CG-CD1 4.49Å; Y210-F483 AromaticContact CD2-CE2 3.78Å; Y210-F483 HydrophobicContact CD2-CE2 3.78Å; Y210-F483 HydrophobicContact CD2-CZ 4.3Å; Y210-F483 HydrophobicContact CG-CE2 4.13Å; K479-F483 VanDerWaalsContact O-CE2 3.3Å; K479-F483 WeakPolarHBondContact O-CE2 3.35Å; L480-F483 PolarHBondContact O-N 3.41Å; R481-F483 PolarHBondContact O-N 3.11Å
484	M	98.6	Very high	98.3	Very high	5 Å²	5	57.7 Å²	57.7	3%	0.025	31%	0.305	C	S	.	.	S	Bend	trans	-84.4	145.2	178.4	-69.4	-64.7	-74.7	0	0	111	F202 L203 A206 V476 L480 R481 L488 Q489 I492	F202-M484 HydrophobicContact CB-CE 4.27Å; F202-M484 HydrophobicContact CB-SD 4.21Å; L203-M484 HydrophobicContact CD1-SD 4.35Å; A206-M484 HydrophobicContact CB-CG 4.39Å; A206-M484 HydrophobicContact CB-SD 3.91Å; V476-M484 HydrophobicContact CG1-CG 3.83Å; V476-M484 HydrophobicContact CG2-CE 4.33Å; L480-M484 WeakPolarHBondContact O-CG 3.27Å; L480-M484 PolarHBondContact O-N 3.14Å; R481-M484 PolarHBondContact O-N 2.68Å; M484-L488 HydrophobicContact CE-CB 3.89Å; M484-L488 WeakPolarHBondContact CE-O 3.47Å; M484-Q489 HydrophobicContact CB-CG 4.22Å; M484-Q489 PolarHBondContact O-NE2 3.47Å; M484-I492 HydrophobicContact CE-CD1 4.13Å; M484-I492 HydrophobicContact CE-CG1 4.3Å
485	P	98.3	Very high	98.3	Very high	32 Å²	32	62.3 Å²	62.3	21%	0.208	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-65.3	154.7	177.5	29.3	-36.4	0	0	0	111.4	F202 G487 L488	F202-P485 HydrophobicContact CB-CG 4.24Å; F202-P485 HydrophobicContact CD1-CG 3.93Å; F202-P485 HydrophobicContact CD2-CG 3.89Å; F202-P485 HydrophobicContact CE1-CG 4.22Å; F202-P485 HydrophobicContact CE2-CG 4.18Å; F202-P485 HydrophobicContact CG-CG 3.75Å; F202-P485 HydrophobicContact CZ-CG 4.34Å; P485-G487 PolarHBondContact O-N 2.93Å; P485-L488 HydrophobicContact CG-CB 4.17Å; P485-L488 HydrophobicContact CG-CD1 3.92Å; P485-L488 HydrophobicContact CG-CG 4.41Å; P485-L488 PolarHBondContact O-N 3.39Å
486	P	97.8	Very high	98.2	Very high	120 Å²	120	63 Å²	63	78%	0.779	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	134.9	174.5	-26.2	34.6	0	0	0	111.8	L488	P486-L488 VanDerWaalsContact C-N 3.35Å
487	G	96.1	Very high	97.9	Very high	75 Å²	75	67 Å²	67	77%	0.773	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.3	-14.6	-176.5	0	0	0	0	0	115.4	P485	P485-G487 PolarHBondContact O-N 2.93Å
488	L	97.8	Very high	97.6	Very high	31 Å²	31	67.1 Å²	67.1	16%	0.162	36%	0.361	C	S	.	.	S	Bend	trans	-116.4	15.9	172.4	-64	176.8	0	0	0	112.6	V199 F202 V476 M484 P485 P486	V199-L488 HydrophobicContact CB-CD1 4.3Å; V199-L488 HydrophobicContact CG1-CD1 3.78Å; V199-L488 HydrophobicContact CG1-CD2 4.03Å; F202-L488 HydrophobicContact CD2-CD1 4.27Å; V476-L488 WeakPolarHBondContact CG2-O 3.43Å; M484-L488 HydrophobicContact CE-CB 3.89Å; M484-L488 WeakPolarHBondContact CE-O 3.47Å; P485-L488 HydrophobicContact CG-CB 4.17Å; P485-L488 HydrophobicContact CG-CD1 3.92Å; P485-L488 HydrophobicContact CG-CG 4.41Å; P485-L488 PolarHBondContact O-N 3.39Å; P486-L488 VanDerWaalsContact C-N 3.35Å
489	Q	98.1	Very high	97.1	Very high	84 Å²	84	62.5 Å²	62.5	39%	0.393	34%	0.343	S	S	.	.	S	Bend	trans	-77.1	-27.6	-175.9	-67.4	-179.9	-22.3	0	0	113.3	V476 R481 M484	V476-Q489 WeakPolarHBondContact CB-O 3.5Å; R481-Q489 WeakPolarHBondContact CD-O 3.4Å; R481-Q489 WeakPolarHBondContact CG-O 3.48Å; M484-Q489 HydrophobicContact CB-CG 4.22Å; M484-Q489 PolarHBondContact O-NE2 3.47Å
490	E	98.1	Very high	96.4	Very high	145 Å²	145	63.8 Å²	63.8	68%	0.678	35%	0.353	S	S	*	.	S	Bend	trans	-105.3	-43.7	-175.8	-64	-174.5	172.9	0	0	112.6	V476	V476-E490 PolarHBondContact N-O 3.48Å
491	L	98.5	Very high	95.5	Very high	53 Å²	53	68.5 Å²	68.5	28%	0.277	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	134.9	-172.2	-174.6	78.8	0	0	0	110.2	K472 I474 I475 P493	K472-L491 HydrophobicContact CB-CD2 4.12Å; I474-L491 CarbonylContact O-C 3.59Å; I474-L491 WeakPolarHBondContact O-CA 3.21Å; I475-L491 HydrophobicContact CG1-CD1 4.03Å; L491-P493 WeakPolarHBondContact O-CD 3.45Å
492	I	98.8	Very high	94.4	Very high	2 Å²	2	69.2 Å²	69.2	1%	0.01	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	104.7	164.8	-58.9	170.2	0	0	0	107.2	V177 V199 L203 G473 I474 V476 M484	V177-I492 HydrophobicContact CB-CG2 3.99Å; V177-I492 HydrophobicContact CG1-CG2 3.9Å; V199-I492 HydrophobicContact CB-CG2 3.73Å; V199-I492 HydrophobicContact CG1-CG2 4.11Å; V199-I492 HydrophobicContact CG2-CG2 3.52Å; L203-I492 HydrophobicContact CD2-CD1 4.21Å; G473-I492 CarbonylContact C-O 3.55Å; G473-I492 WeakPolarHBondContact CA-O 3.48Å; I474-I492 HydrophobicContact CB-CB 4.3Å; I474-I492 PolarHBondContact N-O 3.31Å; I474-I492 PolarHBondContact O-N 3.1Å; V476-I492 HydrophobicContact CG2-CD1 4.15Å; V476-I492 HydrophobicContact CG2-CG1 3.85Å; M484-I492 HydrophobicContact CE-CD1 4.13Å; M484-I492 HydrophobicContact CE-CG1 4.3Å
493	P	98.4	Very high	92.4	Very high	57 Å²	57	70.9 Å²	70.9	37%	0.37	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	152.3	-172.8	29.9	-35.4	0	0	0	112.3	L491	L491-P493 WeakPolarHBondContact O-CD 3.45Å
494	F	98.6	Very high	90.2	Very high	43 Å²	43	72.4 Å²	72.4	19%	0.189	41%	0.407	C	S	.	.			trans	-73.8	132.2	165.4	-62.3	-43.1	0	0	0	110.5	L173 M176 V177 T470 K472 I474	L173-F494 HydrophobicContact CD2-CE1 3.73Å; L173-F494 HydrophobicContact CD2-CZ 3.63Å; M176-F494 HydrophobicContact CB-CD1 3.53Å; M176-F494 HydrophobicContact CB-CE1 3.93Å; M176-F494 HydrophobicContact CB-CG 4.23Å; M176-F494 HydrophobicContact CE-CD1 3.89Å; M176-F494 HydrophobicContact CE-CD2 3.72Å; M176-F494 HydrophobicContact CE-CE1 3.85Å; M176-F494 HydrophobicContact CE-CE2 3.65Å; M176-F494 HydrophobicContact CE-CG 3.84Å; M176-F494 HydrophobicContact CE-CZ 3.73Å; M176-F494 HydrophobicContact SD-CE1 4.43Å; V177-F494 HydrophobicContact CG1-CD1 3.81Å; V177-F494 HydrophobicContact CG1-CE1 4.01Å; T470-F494 VanDerWaalsContact O-CE2 3.29Å; T470-F494 WeakPolarHBondContact O-CE2 3.5Å; K472-F494 PolarHBondContact O-N 3.32Å; I474-F494 HydrophobicContact CD1-CE1 3.84Å; I474-F494 HydrophobicContact CD1-CZ 3.94Å; I474-F494 HydrophobicContact CG1-CE1 4.22Å
495	V	98.1	Very high	88.2	Confident	97 Å²	97	74.8 Å²	74.8	59%	0.588	42%	0.424	S	S	*	.			trans	-123.7	-8.6	-179.9	-63.2	0	0	0	0	112.3	M176 D178	M176-V495 PolarHBondContact O-N 3.34Å; D178-V495 HydrophobicContact CB-CG2 3.52Å
496	K	96.3	Very high	85.8	Confident	78 Å²	78	82.3 Å²	82.3	34%	0.339	45%	0.453	S	S	.	.	S	Bend	trans	-130.6	148.3	176.5	-74	-178.6	171.6	-178.9	0	111	M176 D178	M176-K496 PolarHBondContact O-N 3.02Å; D178-K496 HydrophobicContact CB-CD 3.91Å; D178-K496 HydrophobicContact CB-CG 4.35Å; D178-K496 VanDerWaalsContact CG-CE 3.41Å; D178-K496 WeakPolarHBondContact OD1-CE 3.34Å; D178-K496 IonicContact OD1-NZ 3.36Å; D178-K496 PolarHBondContact OD1-NZ 3.38Å; D178-K496 IonicContact OD2-NZ 2.71Å
497	P	93.7	Very high	83.4	Confident	87 Å²	87	85 Å²	85	57%	0.565	45%	0.453	S	S	*	.			trans	-66.5	150.4	172.7	23.6	-27.9	0	0	0	111.4	Q502	P497-Q502 PolarHBondContact O-NE2 3.02Å
498	A	91.5	Very high	81.3	Confident	3 Å²	3	86.1 Å²	86.1	3%	0.025	44%	0.438	C	S	.	.			trans	-61.3	131.1	177.5	0	0	0	0	0	110.8	Y168 M176 I500 D501	Y168-A498 HydrophobicContact CD1-CB 3.96Å; Y168-A498 HydrophobicContact CE1-CB 3.37Å; M176-A498 HydrophobicContact CE-CB 4.12Å; M176-A498 HydrophobicContact CG-CB 4.02Å; M176-A498 HydrophobicContact SD-CB 3.53Å; M176-A498 VanDerWaalsContact SD-CB 3.53Å; A498-I500 HydrophobicContact CB-CG2 4.17Å; A498-I500 PolarHBondContact O-N 3.48Å; A498-D501 HydrophobicContact CB-CB 4.25Å; A498-D501 WeakPolarHBondContact CB-OD2 3.33Å; A498-D501 PolarHBondContact O-N 2.92Å; A498-D501 VanDerWaalsContact O-N 3.12Å
499	P	88.1	Confident	79	Confident	37 Å²	37	90 Å²	90	24%	0.24	45%	0.454	C	S	.	.	G	3₁₀ helix	trans	-57.2	-36.2	178	-27.6	35.8	0	0	0	113.6	V175 D501 Q502	V175-P499 HydrophobicContact CB-CG 3.75Å; V175-P499 HydrophobicContact CG1-CG 3.74Å; V175-P499 HydrophobicContact CG2-CG 4.03Å; P499-D501 VanDerWaalsContact C-N 3.27Å; P499-D501 PolarHBondContact O-N 3.14Å; P499-Q502 PolarHBondContact O-N 3.47Å
500	I	83.6	Confident	76.7	Confident	118 Å²	118	93.9 Å²	93.9	61%	0.605	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-66	-27.8	178.8	-163.6	167.1	0	0	0	113.7	Y168 D172 A498 Q502	Y168-I500 HydrophobicContact CD1-CG2 4.06Å; Y168-I500 HydrophobicContact CE1-CG2 3.95Å; D172-I500 PolarHBondContact OD1-N 2.96Å; A498-I500 HydrophobicContact CB-CG2 4.17Å; A498-I500 PolarHBondContact O-N 3.48Å; I500-Q502 VanDerWaalsContact C-N 3.33Å
501	D	79.5	Confident	74.3	Confident	100 Å²	100	94 Å²	94	54%	0.535	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-86.8	-6.7	-179.3	-64.5	-27.7	0	0	0	112	Y168 A498 P499	Y168-D501 WeakPolarHBondContact CE1-OD2 3.5Å; Y168-D501 PolarHBondContact OH-OD2 3.16Å; A498-D501 HydrophobicContact CB-CB 4.25Å; A498-D501 WeakPolarHBondContact CB-OD2 3.33Å; A498-D501 PolarHBondContact O-N 2.92Å; A498-D501 VanDerWaalsContact O-N 3.12Å; P499-D501 VanDerWaalsContact C-N 3.27Å; P499-D501 PolarHBondContact O-N 3.14Å
502	Q	75.7	Confident	71.8	Confident	106 Å²	106	97.6 Å²	97.6	50%	0.495	49%	0.485	S	S	.	.	S	Bend	trans	-86.2	132.6	178.9	-66.2	176.5	33.2	0	0	110.8	P497 P499 I500	P497-Q502 PolarHBondContact O-NE2 3.02Å; P499-Q502 PolarHBondContact O-N 3.47Å; I500-Q502 VanDerWaalsContact C-N 3.33Å
503	E	56.3	Low	69.3	Low	176 Å²	176	103.8 Å²	103.8	82%	0.822	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-60.9	130	171.7	-74.8	-163.6	165.1	0	0	110.5	S505	E503-S505 PolarHBondContact O-N 2.92Å
504	P	53.4	Low	66.8	Low	71 Å²	71	102.8 Å²	102.8	46%	0.461	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-63.5	125.8	-179.3	21.4	-29.2	0	0	0	110.2	Q508 K509	P504-Q508 HydrophobicContact CB-CB 4.41Å; P504-K509 HydrophobicContact CB-CG 4.24Å; P504-K509 HydrophobicContact CG-CG 4.3Å; P504-K509 WeakPolarHBondContact O-CE 3.38Å
505	S	56.5	Low	64.3	Low	55 Å²	55	104.1 Å²	104.1	39%	0.385	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-58.3	154.7	178.1	67.3	0	0	0	0	111.6	E503 K507 Q508 K509	E503-S505 PolarHBondContact O-N 2.92Å; S505-K507 PolarHBondContact O-N 2.93Å; S505-Q508 VanDerWaalsContact N-OE1 3.13Å; S505-Q508 PolarHBondContact O-N 3.32Å; S505-Q508 WeakPolarHBondContact OG-CG 3.39Å; S505-Q508 PolarHBondContact OG-N 3.05Å; S505-Q508 PolarHBondContact OG-OE1 3.16Å; S505-Q508 VanDerWaalsContact OG-OE1 3.08Å; S505-K509 PolarHBondContact O-N 3.05Å
506	K	46.8	Very low	61.8	Low	190 Å²	190	106.3 Å²	106.3	83%	0.826	53%	0.53	S	S	*	.	H	α-helix	trans	-53	-27.2	175.9	-78	-177	178.2	177	0	113.3	K510	K506-K510 PolarHBondContact O-N 3.4Å
507	K	48.6	Very low	59.5	Low	178 Å²	178	110 Å²	110	77%	0.774	55%	0.546	S	S	*	.	H	α-helix	trans	-74.5	-43.2	175.8	-118.6	179.7	179	-178.7	0	112.1	S505 K510 Q511	S505-K507 PolarHBondContact O-N 2.93Å; K507-K510 PolarHBondContact O-N 3.37Å; K507-Q511 PolarHBondContact O-N 3.45Å; K507-Q511 VanDerWaalsContact O-N 3.13Å
508	Q	50.7	Low	57.4	Low	98 Å²	98	112.9 Å²	112.9	46%	0.458	55%	0.55	S	S	.	.	H	α-helix	trans	-68.1	-37.3	175.3	-76.4	163.5	-29.1	0	0	111.9	P504 S505 K510 Q511 H512	P504-Q508 HydrophobicContact CB-CB 4.41Å; S505-Q508 VanDerWaalsContact N-OE1 3.13Å; S505-Q508 PolarHBondContact O-N 3.32Å; S505-Q508 WeakPolarHBondContact OG-CG 3.39Å; S505-Q508 PolarHBondContact OG-N 3.05Å; S505-Q508 PolarHBondContact OG-OE1 3.16Å; S505-Q508 VanDerWaalsContact OG-OE1 3.08Å; Q508-K510 VanDerWaalsContact C-N 3.35Å; Q508-K510 PolarHBondContact O-N 2.67Å; Q508-Q511 PolarHBondContact O-N 3.48Å; Q508-H512 WeakPolarHBondContact O-CB 3.23Å; Q508-H512 PolarHBondContact O-N 3.42Å
509	K	50.3	Low	55.2	Low	113 Å²	113	115.4 Å²	115.4	49%	0.491	57%	0.57	S	S	.	*	H	α-helix	trans	-58	-43.9	172.6	-73.3	-175.8	-180	178.6	0	112.2	P504 S505 H512 E513	P504-K509 HydrophobicContact CB-CG 4.24Å; P504-K509 HydrophobicContact CG-CG 4.3Å; P504-K509 WeakPolarHBondContact O-CE 3.38Å; S505-K509 PolarHBondContact O-N 3.05Å; K509-H512 PolarHBondContact O-N 3.22Å; K509-E513 WeakPolarHBondContact O-CG 3.36Å; K509-E513 PolarHBondContact O-N 2.99Å
510	K	49.3	Very low	53.4	Low	165 Å²	165	121.1 Å²	121.1	72%	0.717	59%	0.592	S	S	*	*	H	α-helix	trans	-66.7	-39.3	176.6	-81.6	-174.1	173.4	-174.8	0	113.6	K506 K507 Q508 G514	K506-K510 PolarHBondContact O-N 3.4Å; K507-K510 PolarHBondContact O-N 3.37Å; Q508-K510 VanDerWaalsContact C-N 3.35Å; Q508-K510 PolarHBondContact O-N 2.67Å; K510-G514 PolarHBondContact O-N 3.41Å
511	Q	47.3	Very low	52.1	Low	146 Å²	146	121.5 Å²	121.5	68%	0.682	59%	0.591	S	S	*	*	H	α-helix	trans	-67	-40.5	174.3	-93.5	179.4	-15	0	0	111.7	K507 Q508 G514 S515	K507-Q511 PolarHBondContact O-N 3.45Å; K507-Q511 VanDerWaalsContact O-N 3.13Å; Q508-Q511 PolarHBondContact O-N 3.48Å; Q511-G514 PolarHBondContact O-N 3.2Å; Q511-S515 PolarHBondContact O-N 3.37Å; Q511-S515 PolarHBondContact O-OG 2.96Å
512	H	46.3	Very low	51.1	Low	130 Å²	130	121.1 Å²	121.1	60%	0.602	59%	0.592	S	S	*	*	H	α-helix	trans	-68.8	-35.8	179.5	-138.4	37.2	0	0	0	112.6	Q508 K509 K516	Q508-H512 WeakPolarHBondContact O-CB 3.23Å; Q508-H512 PolarHBondContact O-N 3.42Å; K509-H512 PolarHBondContact O-N 3.22Å; H512-K516 WeakPolarHBondContact O-CB 3.02Å; H512-K516 WeakPolarHBondContact O-CG 3.19Å; H512-K516 PolarHBondContact O-N 3.06Å
513	E	46.4	Very low	50.3	Low	131 Å²	131	119.5 Å²	119.5	61%	0.612	59%	0.59	S	S	*	*	H	α-helix	trans	-67.1	-39.4	170.5	-77.4	179	166.7	0	0	112.7	K509 K516 K517	K509-E513 WeakPolarHBondContact O-CG 3.36Å; K509-E513 PolarHBondContact O-N 2.99Å; E513-K516 PolarHBondContact O-N 3.32Å; E513-K517 PolarHBondContact O-N 3.42Å
514	G	46.6	Very low	50.3	Low	36 Å²	36	116.1 Å²	116.1	37%	0.371	58%	0.576	S	S	.	*	H	α-helix	trans	-64.5	-41.7	174.5	0	0	0	0	0	112.9	K510 Q511 K517 K518	K510-G514 PolarHBondContact O-N 3.41Å; Q511-G514 PolarHBondContact O-N 3.2Å; G514-K517 PolarHBondContact O-N 2.88Å; G514-K518 PolarHBondContact O-N 2.84Å
515	S	45.6	Very low	50.4	Low	72 Å²	72	118.6 Å²	118.6	50%	0.503	58%	0.582	S	S	.	*	H	α-helix	trans	-68.8	-37.5	176.3	-55.6	0	0	0	0	112.5	Q511 K518 A519	Q511-S515 PolarHBondContact O-N 3.37Å; Q511-S515 PolarHBondContact O-OG 2.96Å; S515-K518 PolarHBondContact O-N 2.85Å; S515-A519 WeakPolarHBondContact O-CB 3.39Å; S515-A519 PolarHBondContact O-N 3.44Å
516	K	46.4	Very low	50.2	Low	143 Å²	143	118.5 Å²	118.5	62%	0.622	58%	0.581	S	S	*	*	H	α-helix	trans	-66.1	-35.6	173.5	-83	-175.1	176.7	-178.1	0	112.7	H512 E513 K520	H512-K516 WeakPolarHBondContact O-CB 3.02Å; H512-K516 WeakPolarHBondContact O-CG 3.19Å; H512-K516 PolarHBondContact O-N 3.06Å; E513-K516 PolarHBondContact O-N 3.32Å; K516-K520 PolarHBondContact O-N 3.31Å; K516-K520 VanDerWaalsContact O-N 3.12Å
517	K	47.5	Very low	50.4	Low	154 Å²	154	115 Å²	115	67%	0.67	57%	0.568	S	S	*	*	H	α-helix	trans	-67.2	-47.1	173.6	-83.7	-174.5	173.7	-175.1	0	111.9	E513 G514 A519 K520 E521	E513-K517 PolarHBondContact O-N 3.42Å; G514-K517 PolarHBondContact O-N 2.88Å; K517-A519 PolarHBondContact O-N 2.99Å; K517-K520 PolarHBondContact O-N 3.45Å; K517-E521 PolarHBondContact O-N 3.1Å
518	K	49.6	Very low	50.7	Low	148 Å²	148	111.5 Å²	111.5	64%	0.643	56%	0.557	S	S	*	*	H	α-helix	trans	-61.3	-41.1	175.1	-89.9	-173.1	171	-172.3	0	113	G514 S515 K520 E521 V522	G514-K518 PolarHBondContact O-N 2.84Å; S515-K518 PolarHBondContact O-N 2.85Å; K518-K520 VanDerWaalsContact C-N 3.33Å; K518-K520 PolarHBondContact O-N 2.96Å; K518-E521 PolarHBondContact O-N 3.1Å; K518-V522 VanDerWaalsContact O-CG2 3.29Å; K518-V522 WeakPolarHBondContact O-CG2 3.29Å; K518-V522 PolarHBondContact O-N 3.2Å
519	A	43.9	Very low	50.7	Low	56 Å²	56	113.4 Å²	113.4	46%	0.463	57%	0.566	S	S	.	*	H	α-helix	trans	-62.2	-40.8	175.6	0	0	0	0	0	111.6	S515 K517 T523	S515-A519 WeakPolarHBondContact O-CB 3.39Å; S515-A519 PolarHBondContact O-N 3.44Å; K517-A519 PolarHBondContact O-N 2.99Å; A519-T523 WeakPolarHBondContact O-CB 3.27Å; A519-T523 PolarHBondContact O-N 3.17Å; A519-T523 PolarHBondContact O-OG1 3.05Å
520	K	51.6	Low	50.5	Low	158 Å²	158	114.5 Å²	114.5	69%	0.687	58%	0.577	S	S	*	*	H	α-helix	trans	-65.2	-39.8	174.2	-89	-173	171.4	-171.9	0	113.3	K516 K517 K518 T523 L524	K516-K520 PolarHBondContact O-N 3.31Å; K516-K520 VanDerWaalsContact O-N 3.12Å; K517-K520 PolarHBondContact O-N 3.45Å; K518-K520 VanDerWaalsContact C-N 3.33Å; K518-K520 PolarHBondContact O-N 2.96Å; K520-T523 PolarHBondContact O-N 2.94Å; K520-L524 PolarHBondContact O-N 3.21Å
521	E	55.1	Low	50.5	Low	125 Å²	125	113.6 Å²	113.6	58%	0.584	58%	0.577	S	S	*	*	H	α-helix	trans	-64.4	-45.4	176	-80.9	171.9	165.3	0	0	111.8	K517 K518 T523 L524 E525	K517-E521 PolarHBondContact O-N 3.1Å; K518-E521 PolarHBondContact O-N 3.1Å; E521-T523 VanDerWaalsContact C-N 3.27Å; E521-T523 PolarHBondContact O-N 3.04Å; E521-L524 PolarHBondContact O-N 3.37Å; E521-L524 VanDerWaalsContact O-N 3.1Å; E521-E525 PolarHBondContact O-N 3.39Å
522	V	59.8	Low	50.3	Low	92 Å²	92	114.7 Å²	114.7	56%	0.558	58%	0.582	S	S	*	*	H	α-helix	trans	-64.5	-32	176	174.9	0	0	0	0	112	K518 S526	K518-V522 VanDerWaalsContact O-CG2 3.29Å; K518-V522 WeakPolarHBondContact O-CG2 3.29Å; K518-V522 PolarHBondContact O-N 3.2Å; V522-S526 WeakPolarHBondContact O-CB 3.41Å; V522-S526 PolarHBondContact O-N 3.13Å; V522-S526 VanDerWaalsContact O-N 3.11Å; V522-S526 PolarHBondContact O-OG 3.3Å
523	T	58.5	Low	50.4	Low	73 Å²	73	114.4 Å²	114.4	45%	0.448	59%	0.589	S	S	.	*	H	α-helix	trans	-72.2	-34.6	174.6	-43.4	0	0	0	0	111.4	A519 K520 E521 S526 Q527	A519-T523 WeakPolarHBondContact O-CB 3.27Å; A519-T523 PolarHBondContact O-N 3.17Å; A519-T523 PolarHBondContact O-OG1 3.05Å; K520-T523 PolarHBondContact O-N 2.94Å; E521-T523 VanDerWaalsContact C-N 3.27Å; E521-T523 PolarHBondContact O-N 3.04Å; T523-S526 WeakPolarHBondContact CA-OG 3.18Å; T523-S526 PolarHBondContact O-OG 3.4Å; T523-S526 VanDerWaalsContact O-OG 3.09Å; T523-Q527 WeakPolarHBondContact O-CB 3.37Å; T523-Q527 VanDerWaalsContact O-CG 3.27Å; T523-Q527 WeakPolarHBondContact O-CG 3.5Å; T523-Q527 PolarHBondContact O-N 3.37Å; T523-Q527 VanDerWaalsContact O-N 3.17Å
524	L	57	Low	50.3	Low	104 Å²	104	113.9 Å²	113.9	55%	0.545	60%	0.595	S	S	.	*	H	α-helix	trans	-71.9	-42.8	175.6	-118.1	94.5	0	0	0	111.9	K520 E521 Q527 L528	K520-L524 PolarHBondContact O-N 3.21Å; E521-L524 PolarHBondContact O-N 3.37Å; E521-L524 VanDerWaalsContact O-N 3.1Å; L524-Q527 PolarHBondContact O-N 3.31Å; L524-L528 WeakPolarHBondContact O-CD1 3.5Å; L524-L528 WeakPolarHBondContact O-CG 3.32Å; L524-L528 PolarHBondContact O-N 3.16Å
525	E	54.9	Low	49.8	Very low	124 Å²	124	121.6 Å²	121.6	58%	0.579	62%	0.622	S	S	*	*	H	α-helix	trans	-63.4	-39.9	177.1	-80.4	178.5	156.6	0	0	111.9	E521 Q527 L528 Q529	E521-E525 PolarHBondContact O-N 3.39Å; E525-Q527 VanDerWaalsContact C-N 3.34Å; E525-L528 PolarHBondContact O-N 3.49Å; E525-Q529 PolarHBondContact O-N 3.12Å
526	S	52.9	Low	49.3	Very low	53 Å²	53	126.7 Å²	126.7	37%	0.371	67%	0.668	S	S	.	*	H	α-helix	trans	-70.4	-29.3	175.6	56.5	0	0	0	0	113.1	V522 T523 N530	V522-S526 WeakPolarHBondContact O-CB 3.41Å; V522-S526 PolarHBondContact O-N 3.13Å; V522-S526 VanDerWaalsContact O-N 3.11Å; V522-S526 PolarHBondContact O-OG 3.3Å; T523-S526 WeakPolarHBondContact CA-OG 3.18Å; T523-S526 PolarHBondContact O-OG 3.4Å; T523-S526 VanDerWaalsContact O-OG 3.09Å; S526-N530 PolarHBondContact O-N 3.12Å; S526-N530 PolarHBondContact O-ND2 3.2Å
527	Q	50.3	Low	49.5	Very low	116 Å²	116	125.9 Å²	125.9	54%	0.542	67%	0.671	S	S	.	*	H	α-helix	trans	-72.4	-36	171.3	-76.9	179.4	-20.1	0	0	112.6	T523 L524 E525 N530	T523-Q527 WeakPolarHBondContact O-CB 3.37Å; T523-Q527 VanDerWaalsContact O-CG 3.27Å; T523-Q527 WeakPolarHBondContact O-CG 3.5Å; T523-Q527 PolarHBondContact O-N 3.37Å; T523-Q527 VanDerWaalsContact O-N 3.17Å; L524-Q527 PolarHBondContact O-N 3.31Å; E525-Q527 VanDerWaalsContact C-N 3.34Å; Q527-N530 PolarHBondContact O-N 3.44Å
528	L	55.4	Low	49.6	Very low	104 Å²	104	124.4 Å²	124.4	55%	0.545	67%	0.671	S	S	.	*	H	α-helix	trans	-71	-39.9	177.2	-74.4	160.7	0	0	0	112.2	L524 E525 N530 M531	L524-L528 WeakPolarHBondContact O-CD1 3.5Å; L524-L528 WeakPolarHBondContact O-CG 3.32Å; L524-L528 PolarHBondContact O-N 3.16Å; E525-L528 PolarHBondContact O-N 3.49Å; L528-N530 VanDerWaalsContact C-N 3.27Å; L528-N530 PolarHBondContact O-N 3.2Å; L528-M531 PolarHBondContact O-N 3.43Å; L528-M531 VanDerWaalsContact O-N 3.14Å
529	Q	49.6	Very low	49.6	Very low	139 Å²	139	123.1 Å²	123.1	65%	0.65	67%	0.672	S	S	*	*	H	α-helix	trans	-65.5	-27.8	175.3	-79.7	178.9	-21.6	0	0	113.4	E525 M531	E525-Q529 PolarHBondContact O-N 3.12Å; Q529-M531 VanDerWaalsContact C-N 3.31Å
530	N	45.8	Very low	49.9	Very low	136 Å²	136	127.1 Å²	127.1	73%	0.727	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-8.9	175.7	-74.7	-22.7	0	0	0	113.8	S526 Q527 L528	S526-N530 PolarHBondContact O-N 3.12Å; S526-N530 PolarHBondContact O-ND2 3.2Å; Q527-N530 PolarHBondContact O-N 3.44Å; L528-N530 VanDerWaalsContact C-N 3.27Å; L528-N530 PolarHBondContact O-N 3.2Å
531	M	49.7	Very low	49.8	Very low	146 Å²	146	125.1 Å²	125.1	72%	0.719	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	-14.6	176.4	-73.8	-179.6	63.7	0	0	113.5	L528 Q529	L528-M531 PolarHBondContact O-N 3.43Å; L528-M531 VanDerWaalsContact O-N 3.14Å; Q529-M531 VanDerWaalsContact C-N 3.31Å
532	E	42.4	Very low	49.5	Very low	169 Å²	169	125.1 Å²	125.1	79%	0.79	69%	0.691	S	S	*	*	S	Bend	trans	-87.5	2.9	-178.4	-76.4	-173.4	161.3	0	0	114.7
533	V	49.3	Very low	48.7	Very low	123 Å²	123	127.5 Å²	127.5	75%	0.745	70%	0.701	S	S	*	*	S	Bend	trans	-116.3	60	176.3	-165.3	0	0	0	0	110.4
534	T	44.5	Very low	48	Very low	121 Å²	121	131.7 Å²	131.7	74%	0.742	72%	0.72	S	S	*	*	S	Bend	trans	-159.1	66.3	160.7	22.2	0	0	0	0	109.3
535	E	37	Very low	47.2	Very low	197 Å²	197	134 Å²	134	92%	0.921	74%	0.735	S	S	*	*			trans	-168.8	93.8	156.6	-110.2	171.1	-155.3	0	0	110
536	A	35.1	Very low	46.5	Very low	180 Å²	180	134.9 Å²	134.9	100%	1.488	75%	0.749	S	S	*	*			trans	166.4	0	145.2	0	0	0	0	0	110.1

Retrieved 536 of 536 residues in 468.6 ms (Link to these results)

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