A0A087YGA0_POEFO Loading...

Amidophosphoribosyltransferase

Catalyzes the formation of phosphoribosylamine from phosphoribosylpyrophosphate (PRPP) and glutamine.

AlphaFold DB , UniProt , Accession A0A087YGA0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 504 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	23.3	Very low	44.1	Very low	229 Å²	229	82.2 Å²	82.2	100%	1.128	41%	0.413	S	S	*	.				0	96.8	0	-105	-178.9	-71.1	0	0	105.9
2	E	23.3	Very low	47.8	Very low	186 Å²	186	76.3 Å²	76.3	87%	0.869	39%	0.385	S	S	*	.			trans	-74.9	129.5	-178	-80.3	168.3	160.2	0	0	110.1	E4	E2-E4 PolarHBondContact O-N 3.18Å
3	F	32.2	Very low	51.4	Low	151 Å²	151	70.4 Å²	70.4	66%	0.662	36%	0.356	S	S	*	.			trans	-74.2	107.7	168.7	-64	-91.1	0	0	0	106.6	E5 I358	F3-E5 HydrophobicContact CB-CG 4.33Å; F3-E5 PolarHBondContact O-N 2.73Å; F3-I358 HydrophobicContact CE1-CG1 4.41Å
4	E	33.1	Very low	54.7	Low	131 Å²	131	65.4 Å²	65.4	61%	0.612	33%	0.33	S	S	*	.			trans	-71.4	85	163.2	-81.2	-175.4	142.4	0	0	108.1	E2	E2-E4 PolarHBondContact O-N 3.18Å
5	E	45.7	Very low	57.6	Low	75 Å²	75	61 Å²	61	35%	0.35	31%	0.308	S	S	.	.			trans	-70.1	126.6	166	-70.6	-170.4	150.6	0	0	108.5	F3 G7 Y94 R355 R394	F3-E5 HydrophobicContact CB-CG 4.33Å; F3-E5 PolarHBondContact O-N 2.73Å; E5-G7 PolarHBondContact O-N 3.32Å; E5-Y94 PolarHBondContact OE2-OH 3.43Å; E5-R355 IonicContact OE1-NH1 3.68Å; E5-R394 PolarHBondContact O-NE 3.03Å
6	S	41	Very low	60.2	Low	53 Å²	53	57.2 Å²	57.2	37%	0.371	29%	0.289	S	S	.	.			trans	-82.3	6.5	-168.2	58.2	0	0	0	0	114.3
7	G	50.9	Low	62.5	Low	31 Å²	31	53.8 Å²	53.8	32%	0.32	27%	0.272	S	S	.	.	S	Bend	trans	-151.4	-173.3	-171.1	0	0	0	0	0	113.6	E5	E5-G7 PolarHBondContact O-N 3.32Å
8	I	54.8	Low	64.5	Low	11 Å²	11	50.9 Å²	50.9	6%	0.056	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-77.1	132.8	172.9	-44.5	-179	0	0	0	108.2	F282 F287 V393 I422 I430 N431 I432	I8-F282 HydrophobicContact CD1-CD1 3.85Å; I8-F282 HydrophobicContact CD1-CE1 3.29Å; I8-F282 HydrophobicContact CD1-CZ 4.11Å; I8-F287 HydrophobicContact CB-CE2 4.47Å; I8-F287 HydrophobicContact CB-CZ 4.2Å; I8-F287 HydrophobicContact CG2-CE2 3.91Å; I8-F287 HydrophobicContact CG2-CZ 3.54Å; I8-V393 HydrophobicContact CD1-CG2 4.05Å; I8-V393 HydrophobicContact CG1-CG2 3.35Å; I8-I422 HydrophobicContact CD1-CD1 3.62Å; I8-I422 HydrophobicContact CG1-CD1 4.4Å; I8-I430 HydrophobicContact CG2-CG2 3.18Å; I8-N431 WeakPolarHBondContact CG2-O 3.25Å; I8-I432 HydrophobicContact CG2-CG1 3.95Å
9	G	53.8	Low	66.2	Low	1 Å²	1	48.2 Å²	48.2	1%	0.01	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-72.2	141.6	178.1	0	0	0	0	0	112.4	Y94 F287 N431	G9-Y94 VanDerWaalsContact CA-OH 3.23Å; G9-Y94 WeakPolarHBondContact CA-OH 3.46Å; G9-F287 WeakPolarHBondContact O-CE1 3.26Å; G9-F287 WeakPolarHBondContact O-CZ 3.3Å; G9-N431 PolarHBondContact N-O 3.28Å; G9-N431 VanDerWaalsContact N-O 3.07Å
10	E	57.4	Low	67.7	Low	34 Å²	34	46.7 Å²	46.7	16%	0.159	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-62.5	165.5	178.7	-55.9	170.5	165.7	0	0	110.6	H42 Q45 Y94 R355	E10-H42 WeakPolarHBondContact CB-O 3.42Å; E10-H42 VanDerWaalsContact CG-O 3.24Å; E10-H42 WeakPolarHBondContact CG-O 3.41Å; E10-Q45 VanDerWaalsContact CD-NE2 3.34Å; E10-Q45 PolarHBondContact OE1-NE2 3.43Å; E10-Q45 PolarHBondContact OE2-NE2 3.49Å; E10-Y94 HydrophobicContact CB-CD2 3.52Å; E10-Y94 HydrophobicContact CB-CE2 3.95Å; E10-Y94 HydrophobicContact CB-CG 4.12Å; E10-Y94 HydrophobicContact CG-CD2 4.19Å; E10-Y94 HydrophobicContact CG-CE2 4.2Å; E10-Y94 VanDerWaalsContact N-CE2 3.26Å; E10-Y94 WeakPolarHBondContact O-CB 3.49Å; E10-Y94 WeakPolarHBondContact O-CD1 3.48Å; E10-R355 IonicContact OE2-NH2 2.85Å
11	E	69.8	Low	68.8	Low	2 Å²	2	46.5 Å²	46.5	1%	0.009	25%	0.249	C	C	.	.			trans	-129.5	141.1	-176.8	-126.4	-172.9	-67.7	0	0	114.2	R43 T96 N122 R204 F287 G429 I430	E11-R43 CarbonylContact C-O 3.57Å; E11-R43 WeakPolarHBondContact CA-O 3.39Å; E11-R43 PolarHBondContact N-O 3.32Å; E11-R43 CarbonylContact O-C 3.57Å; E11-R43 VanDerWaalsContact O-C 3.31Å; E11-R43 WeakPolarHBondContact O-CA 3.49Å; E11-R43 WeakPolarHBondContact O-CB 3.27Å; E11-R43 VanDerWaalsContact O-CG 3.25Å; E11-R43 WeakPolarHBondContact O-CG 3.46Å; E11-T96 HydrophobicContact CG-CG2 4.11Å; E11-N122 PolarHBondContact OE2-OD1 3.41Å; E11-R204 IonicContact OE1-CZ 3.81Å; E11-R204 IonicContact OE1-NE 3.3Å; E11-R204 IonicContact OE1-NH1 3.83Å; E11-R204 PolarHBondContact OE1-NH1 3.46Å; E11-R204 IonicContact OE1-NH2 3.9Å; E11-R204 PolarHBondContact OE1-NH2 3.27Å; E11-R204 IonicContact OE2-CZ 3.31Å; E11-R204 IonicContact OE2-NE 3.58Å; E11-R204 PolarHBondContact OE2-NE 3.46Å; E11-R204 IonicContact OE2-NH1 2.8Å; E11-R204 PolarHBondContact OE2-NH1 3.16Å; E11-R204 IonicContact OE2-NH2 3.02Å; E11-R204 PolarHBondContact OE2-NH2 2.96Å; E11-F287 HydrophobicContact CB-CD1 4.17Å; E11-F287 HydrophobicContact CB-CE1 4.1Å; E11-G429 WeakPolarHBondContact CG-O 3.45Å; E11-G429 WeakPolarHBondContact OE2-CA 3.48Å; E11-I430 WeakPolarHBondContact OE1-CA 3.37Å; E11-I430 WeakPolarHBondContact OE1-CG1 3.49Å; E11-I430 PolarHBondContact OE1-N 3.01Å
12	C	88.3	Confident	72.1	Confident	11 Å²	11	44 Å²	44	7%	0.074	23%	0.234	C	C	.	.			trans	-48.7	146.6	-163.6	-64.1	0	0	0	0	114.6	R43 H91 T92 N122	C12-R43 PolarHBondContact N-O 2.98Å; C12-H91 WeakPolarHBondContact CB-NE2 3.41Å; C12-H91 VanDerWaalsContact SG-CE1 3.59Å; C12-H91 PolarHBondContact SG-NE2 3.35Å; C12-T92 CarbonylContact C-O 3.28Å; C12-T92 VanDerWaalsContact CA-O 3.23Å; C12-T92 WeakPolarHBondContact CA-O 3.36Å; C12-T92 WeakPolarHBondContact CB-O 3.33Å; C12-N122 HydrophobicContact CB-CB 4.39Å; C12-N122 WeakPolarHBondContact O-CB 3.48Å; C12-N122 PolarHBondContact O-ND2 3.12Å; C12-N122 PolarHBondContact O-OD1 3.06Å
13	G	94.3	Very high	75.5	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131.3	173.4	0	0	0	0	0	110.3	H91 T92	G13-H91 CarbonylContact O-C 3.55Å; G13-H91 VanDerWaalsContact O-CA 3.22Å; G13-H91 WeakPolarHBondContact O-CA 3.24Å; G13-T92 PolarHBondContact N-O 2.83Å; G13-T92 PolarHBondContact N-OG1 3.04Å; G13-T92 PolarHBondContact O-N 2.74Å
14	V	98	Very high	78.5	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	141.3	167.7	-64.6	0	0	0	0	110.3	A120 N122 L187 L206 S233 S234	V14-A120 HydrophobicContact CB-CB 4.47Å; V14-A120 HydrophobicContact CG1-CB 3.86Å; V14-N122 HydrophobicContact CG1-CB 4.2Å; V14-L187 HydrophobicContact CB-CD1 3.98Å; V14-L187 HydrophobicContact CB-CG 4.15Å; V14-L187 HydrophobicContact CG2-CD1 4.26Å; V14-L187 HydrophobicContact CG2-CG 4.12Å; V14-L206 HydrophobicContact CG2-CD1 3.95Å; V14-S233 CarbonylContact O-C 3.23Å; V14-S233 WeakPolarHBondContact O-CA 2.81Å; V14-S234 WeakPolarHBondContact CG2-OG 3Å; V14-S234 PolarHBondContact N-OG 3.24Å; V14-S234 PolarHBondContact O-N 2.71Å; V14-S234 PolarHBondContact O-OG 3.48Å
15	F	98.7	Very high	81.4	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	144	174.9	-174.4	-78.2	0	0	0	110.1	C17 V32 L33 L37 L40 I89 C90 L187 V231 V232 I242	F15-C17 HydrophobicContact CE1-CB 4.39Å; F15-V32 HydrophobicContact CE1-CG1 4.26Å; F15-V32 HydrophobicContact CZ-CG1 4.43Å; F15-L33 HydrophobicContact CD1-CD2 3.71Å; F15-L33 HydrophobicContact CE1-CD2 3.99Å; F15-L37 HydrophobicContact CB-CD2 4.08Å; F15-L40 HydrophobicContact CB-CD1 4.09Å; F15-I89 CarbonylContact O-C 3.58Å; F15-I89 WeakPolarHBondContact O-CA 3.26Å; F15-C90 PolarHBondContact N-O 3.18Å; F15-C90 PolarHBondContact O-N 3Å; F15-C90 PolarHBondContact O-SG 3.08Å; F15-L187 WeakPolarHBondContact O-CD1 3.09Å; F15-V231 HydrophobicContact CE1-CB 4.46Å; F15-V231 HydrophobicContact CE1-CG1 4.23Å; F15-V231 HydrophobicContact CE2-CB 4.34Å; F15-V231 HydrophobicContact CZ-CB 3.76Å; F15-V231 HydrophobicContact CZ-CG1 3.74Å; F15-V232 CarbonylContact C-O 3.56Å; F15-V232 VanDerWaalsContact CA-O 3.28Å; F15-V232 WeakPolarHBondContact CA-O 3.42Å; F15-I242 HydrophobicContact CE1-CD1 4.45Å; F15-I242 HydrophobicContact CE2-CD1 3.87Å; F15-I242 HydrophobicContact CZ-CD1 3.37Å
16	G	98.6	Very high	83.6	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	152.8	-179.6	0	0	0	0	0	111.6	G88 V231 V232	G16-G88 VanDerWaalsContact CA-O 3.31Å; G16-G88 WeakPolarHBondContact CA-O 3.07Å; G16-V231 CarbonylContact O-C 3.5Å; G16-V231 VanDerWaalsContact O-CA 3.23Å; G16-V231 WeakPolarHBondContact O-CA 3.41Å; G16-V232 PolarHBondContact N-O 3.26Å; G16-V232 PolarHBondContact O-N 3.07Å
17	C	98.6	Very high	86.1	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	135.7	-180	-178.9	0	0	0	0	110.1	F15 V29 V32 L33 L87 G88 W230 V231	F15-C17 HydrophobicContact CE1-CB 4.39Å; C17-V29 HydrophobicContact CB-CG1 4.17Å; C17-V32 HydrophobicContact CB-CG1 4.22Å; C17-L33 HydrophobicContact CB-CD2 3.7Å; C17-L33 HydrophobicContact CB-CG 4.21Å; C17-L87 CarbonylContact O-C 3.5Å; C17-L87 WeakPolarHBondContact O-CA 3.22Å; C17-L87 WeakPolarHBondContact O-CB 3.36Å; C17-G88 PolarHBondContact N-O 2.83Å; C17-G88 PolarHBondContact O-N 2.79Å; C17-W230 CarbonylContact C-O 3.56Å; C17-W230 WeakPolarHBondContact CA-O 3.36Å; C17-V231 HydrophobicContact CB-CG1 4.18Å
18	V	98.6	Very high	88.1	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	117.6	171.3	-173.3	0	0	0	0	107.9	W23 L87 I194 G229 W230 I258	V18-W23 HydrophobicContact CG1-CH2 4.32Å; V18-W23 HydrophobicContact CG1-CZ2 3.81Å; V18-L87 HydrophobicContact CB-CB 4.33Å; V18-L87 HydrophobicContact CG1-CB 4.21Å; V18-L87 HydrophobicContact CG2-CB 4.11Å; V18-I194 HydrophobicContact CG2-CB 4.11Å; V18-I194 HydrophobicContact CG2-CD1 3.51Å; V18-I194 HydrophobicContact CG2-CG1 3.73Å; V18-G229 CarbonylContact O-C 3.54Å; V18-G229 WeakPolarHBondContact O-CA 3.47Å; V18-W230 PolarHBondContact N-O 3.4Å; V18-W230 PolarHBondContact O-N 3.02Å; V18-I258 HydrophobicContact CB-CG2 4.08Å; V18-I258 HydrophobicContact CG2-CB 4.28Å; V18-I258 HydrophobicContact CG2-CG2 3.77Å
19	A	97.7	Very high	90.1	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	137.4	174.5	0	0	0	0	0	110.8	W23 T25 L27 V29 N86 R260	A19-W23 PolarHBondContact O-NE1 3.29Å; A19-T25 HydrophobicContact CB-CG2 3.6Å; A19-T25 WeakPolarHBondContact CB-OG1 3.28Å; A19-L27 HydrophobicContact CB-CB 4.32Å; A19-L27 HydrophobicContact CB-CD2 4.06Å; A19-V29 HydrophobicContact CB-CG2 4.29Å; A19-N86 WeakPolarHBondContact CB-O 3.23Å; A19-N86 PolarHBondContact N-O 2.99Å; A19-R260 WeakPolarHBondContact O-CA 3.4Å; A19-R260 WeakPolarHBondContact O-CB 3.42Å
20	A	95.7	Very high	92.1	Very high	18 Å²	18	38.1 Å²	38.1	15%	0.149	21%	0.205	C	C	.	.			trans	-84.4	161.6	177.8	0	0	0	0	0	111.4	T227 E228 R260	A20-T227 HydrophobicContact CB-CG2 4.17Å; A20-T227 WeakPolarHBondContact CB-O 3.42Å; A20-E228 PolarHBondContact N-O 3.03Å; A20-R260 WeakPolarHBondContact CA-O 3.17Å
21	G	91.9	Very high	93.9	Very high	43 Å²	43	40.4 Å²	40.4	44%	0.443	22%	0.216	S	C	.	.	S	Bend	trans	78.3	-144.3	172.9	0	0	0	0	0	114.5	R260	G21-R260 PolarHBondContact N-O 3.33Å; G21-R260 VanDerWaalsContact N-O 3.12Å; G21-R260 WeakPolarHBondContact O-CD 3.36Å
22	E	92.6	Very high	95.2	Very high	177 Å²	177	41 Å²	41	83%	0.827	22%	0.219	S	C	*	.	S	Bend	trans	-79.9	142.4	-176.4	-65.3	-168	164.3	0	0	112.2
23	W	94.6	Very high	95.7	Very high	43 Å²	43	40.5 Å²	40.5	16%	0.163	22%	0.216	C	C	.	.	S	Bend	trans	-114.5	142.6	177.4	-68	-6.8	0	0	0	109.9	V18 A19 N86 L87 D192 R260	V18-W23 HydrophobicContact CG1-CH2 4.32Å; V18-W23 HydrophobicContact CG1-CZ2 3.81Å; A19-W23 PolarHBondContact O-NE1 3.29Å; W23-N86 HydrophobicContact CB-CB 4.47Å; W23-N86 HydrophobicContact CD2-CB 3.4Å; W23-N86 VanDerWaalsContact CD2-CB 3.4Å; W23-N86 HydrophobicContact CE3-CB 3.76Å; W23-N86 HydrophobicContact CG-CB 3.75Å; W23-N86 HydrophobicContact CH2-CB 4.28Å; W23-N86 HydrophobicContact CZ2-CB 3.95Å; W23-N86 HydrophobicContact CZ3-CB 4.2Å; W23-L87 HydrophobicContact CH2-CD1 4.5Å; W23-L87 HydrophobicContact CH2-CD2 3.79Å; W23-L87 HydrophobicContact CZ3-CD2 4.07Å; W23-D192 HydrophobicContact CH2-CB 4.04Å; W23-D192 WeakPolarHBondContact CH2-O 3.5Å; W23-D192 HydrophobicContact CZ3-CB 3.68Å; W23-R260 HydrophobicContact CH2-CB 4.38Å; W23-R260 HydrophobicContact CZ2-CB 3.64Å
24	P	94.1	Very high	95.8	Very high	108 Å²	108	41 Å²	41	70%	0.701	22%	0.219	S	C	*	.	S	Bend	cis	-71.6	137.1	7.5	29.9	-35.4	0	0	0	113.2	N86	P24-N86 WeakPolarHBondContact CA-OD1 3.33Å
25	T	94.1	Very high	95.7	Very high	30 Å²	30	44.2 Å²	44.2	18%	0.184	24%	0.236	C	C	.	.			trans	-73.4	157.7	-179.2	-170.5	0	0	0	0	111.8	A19 L27 V29 N86	A19-T25 HydrophobicContact CB-CG2 3.6Å; A19-T25 WeakPolarHBondContact CB-OG1 3.28Å; T25-L27 HydrophobicContact CG2-CB 4Å; T25-L27 WeakPolarHBondContact CG2-O 3.32Å; T25-L27 WeakPolarHBondContact OG1-CB 3.49Å; T25-L27 PolarHBondContact OG1-N 3.08Å; T25-V29 HydrophobicContact CG2-CG2 4.15Å; T25-N86 WeakPolarHBondContact CG2-OD1 3.38Å; T25-N86 PolarHBondContact N-OD1 2.81Å
26	Q	91.8	Very high	95.6	Very high	179 Å²	179	44.2 Å²	44.2	84%	0.836	24%	0.236	S	C	*	.	S	Bend	trans	-88.9	-7.8	165	-59.7	-57.8	-60	0	0	112.3	E28	Q26-E28 PolarHBondContact O-N 3.29Å
27	L	93.3	Very high	95.4	Very high	36 Å²	36	44.2 Å²	44.2	19%	0.188	24%	0.236	C	C	.	.	S	Bend	trans	-70.7	124.8	176.5	-176.6	65.9	0	0	0	109.9	A19 T25 V29 V32 L211	A19-L27 HydrophobicContact CB-CB 4.32Å; A19-L27 HydrophobicContact CB-CD2 4.06Å; T25-L27 HydrophobicContact CG2-CB 4Å; T25-L27 WeakPolarHBondContact CG2-O 3.32Å; T25-L27 WeakPolarHBondContact OG1-CB 3.49Å; T25-L27 PolarHBondContact OG1-N 3.08Å; L27-V29 HydrophobicContact CD2-CG2 4.26Å; L27-V29 HydrophobicContact CG-CG2 4.32Å; L27-V29 PolarHBondContact O-N 3.18Å; L27-V32 HydrophobicContact CD1-CG2 3.93Å; L27-V32 HydrophobicContact CG-CG2 4.24Å; L27-L211 HydrophobicContact CD1-CD1 4.48Å; L27-L211 HydrophobicContact CD2-CD1 3.76Å
28	E	93.9	Very high	95.3	Very high	114 Å²	114	48 Å²	48	53%	0.533	26%	0.259	S	S	.	.			trans	-73.8	74.4	173.8	-70	-68.1	157	0	0	110.6	Q26 A30 Q31 V32	Q26-E28 PolarHBondContact O-N 3.29Å; E28-A30 VanDerWaalsContact C-N 3.26Å; E28-A30 PolarHBondContact O-N 3.37Å; E28-Q31 HydrophobicContact CB-CB 3.91Å; E28-Q31 WeakPolarHBondContact O-CA 3.34Å; E28-Q31 WeakPolarHBondContact O-CB 3.33Å; E28-Q31 PolarHBondContact O-N 3.42Å; E28-V32 PolarHBondContact O-N 3.32Å
29	V	97	Very high	95.1	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.006	26%	0.26	C	S	.	.	H	α-helix	trans	-54.4	-41.7	-173.6	173.8	0	0	0	0	111.9	C17 A19 T25 L27 Q31 V32 L33 G85	C17-V29 HydrophobicContact CB-CG1 4.17Å; A19-V29 HydrophobicContact CB-CG2 4.29Å; T25-V29 HydrophobicContact CG2-CG2 4.15Å; L27-V29 HydrophobicContact CD2-CG2 4.26Å; L27-V29 HydrophobicContact CG-CG2 4.32Å; L27-V29 PolarHBondContact O-N 3.18Å; V29-Q31 VanDerWaalsContact C-N 3.28Å; V29-Q31 PolarHBondContact O-N 3.12Å; V29-V32 PolarHBondContact O-N 3.02Å; V29-L33 HydrophobicContact CG1-CD1 3.94Å; V29-L33 HydrophobicContact CG1-CG 4.23Å; V29-L33 VanDerWaalsContact O-CG 3.24Å; V29-L33 WeakPolarHBondContact O-CG 3.44Å; V29-L33 PolarHBondContact O-N 2.9Å; V29-G85 WeakPolarHBondContact CB-O 2.91Å; V29-G85 WeakPolarHBondContact CG2-O 3.26Å
30	A	95.9	Very high	95.1	Very high	3 Å²	3	48.1 Å²	48.1	3%	0.025	26%	0.26	C	S	.	.	H	α-helix	trans	-60.3	-38	177.4	0	0	0	0	0	112.6	E28 T34 L82	E28-A30 VanDerWaalsContact C-N 3.26Å; E28-A30 PolarHBondContact O-N 3.37Å; A30-T34 WeakPolarHBondContact O-CB 3.42Å; A30-T34 PolarHBondContact O-N 3.5Å; A30-T34 PolarHBondContact O-OG1 3.42Å; A30-L82 HydrophobicContact CB-CB 3.62Å
31	Q	95.1	Very high	95	Very high	83 Å²	83	48.9 Å²	48.9	39%	0.388	26%	0.261	S	S	.	.	H	α-helix	trans	-70.9	-42.3	177.5	-171.3	63	27.8	0	0	111.1	E28 V29 L33 T34 L35	E28-Q31 HydrophobicContact CB-CB 3.91Å; E28-Q31 WeakPolarHBondContact O-CA 3.34Å; E28-Q31 WeakPolarHBondContact O-CB 3.33Å; E28-Q31 PolarHBondContact O-N 3.42Å; V29-Q31 VanDerWaalsContact C-N 3.28Å; V29-Q31 PolarHBondContact O-N 3.12Å; Q31-L33 PolarHBondContact O-N 3.3Å; Q31-T34 PolarHBondContact O-N 3.22Å; Q31-L35 HydrophobicContact CG-CD1 4.25Å; Q31-L35 WeakPolarHBondContact O-CG 3.16Å; Q31-L35 PolarHBondContact O-N 3.27Å
32	V	96.9	Very high	94.9	Very high	14 Å²	14	48.8 Å²	48.8	9%	0.085	25%	0.249	C	C	.	.	H	α-helix	trans	-58.2	-48.7	174.7	175.6	0	0	0	0	110.8	F15 C17 L27 E28 V29 T34 L35 G36 L211 V231 I242	F15-V32 HydrophobicContact CE1-CG1 4.26Å; F15-V32 HydrophobicContact CZ-CG1 4.43Å; C17-V32 HydrophobicContact CB-CG1 4.22Å; L27-V32 HydrophobicContact CD1-CG2 3.93Å; L27-V32 HydrophobicContact CG-CG2 4.24Å; E28-V32 PolarHBondContact O-N 3.32Å; V29-V32 PolarHBondContact O-N 3.02Å; V32-T34 VanDerWaalsContact C-N 3.29Å; V32-T34 PolarHBondContact O-N 2.97Å; V32-L35 PolarHBondContact O-N 3.17Å; V32-G36 PolarHBondContact O-N 2.94Å; V32-L211 HydrophobicContact CG1-CD1 4.06Å; V32-L211 HydrophobicContact CG2-CD1 4.48Å; V32-V231 HydrophobicContact CG1-CG1 4.25Å; V32-I242 HydrophobicContact CG1-CB 4.47Å; V32-I242 HydrophobicContact CG1-CD1 4.01Å
33	L	97.8	Very high	94.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.1	-41.3	177	-68.1	172.5	0	0	0	111.7	F15 C17 V29 Q31 G36 L37 I50 T52 G88 C90	F15-L33 HydrophobicContact CD1-CD2 3.71Å; F15-L33 HydrophobicContact CE1-CD2 3.99Å; C17-L33 HydrophobicContact CB-CD2 3.7Å; C17-L33 HydrophobicContact CB-CG 4.21Å; V29-L33 HydrophobicContact CG1-CD1 3.94Å; V29-L33 HydrophobicContact CG1-CG 4.23Å; V29-L33 VanDerWaalsContact O-CG 3.24Å; V29-L33 WeakPolarHBondContact O-CG 3.44Å; V29-L33 PolarHBondContact O-N 2.9Å; Q31-L33 PolarHBondContact O-N 3.3Å; L33-G36 PolarHBondContact O-N 2.92Å; L33-L37 PolarHBondContact O-N 2.99Å; L33-I50 HydrophobicContact CB-CD1 4.4Å; L33-I50 HydrophobicContact CD1-CG2 3.75Å; L33-T52 HydrophobicContact CD1-CG2 3.93Å; L33-G88 WeakPolarHBondContact CD2-O 3.18Å; L33-C90 HydrophobicContact CB-CB 4.35Å
34	T	96.3	Very high	94.7	Very high	12 Å²	12	38.4 Å²	38.4	7%	0.074	20%	0.202	C	C	.	.	H	α-helix	trans	-66.1	-47.8	179.9	-57.1	0	0	0	0	111.4	A30 Q31 V32 G36 L37 V38 I50 V70 L79	A30-T34 WeakPolarHBondContact O-CB 3.42Å; A30-T34 PolarHBondContact O-N 3.5Å; A30-T34 PolarHBondContact O-OG1 3.42Å; Q31-T34 PolarHBondContact O-N 3.22Å; V32-T34 VanDerWaalsContact C-N 3.29Å; V32-T34 PolarHBondContact O-N 2.97Å; T34-G36 VanDerWaalsContact C-N 3.33Å; T34-G36 PolarHBondContact O-N 3.19Å; T34-L37 PolarHBondContact O-N 2.81Å; T34-V38 WeakPolarHBondContact O-CG2 3.27Å; T34-V38 PolarHBondContact O-N 2.68Å; T34-I50 WeakPolarHBondContact OG1-CD1 3.44Å; T34-V70 HydrophobicContact CG2-CG1 3.97Å; T34-L79 HydrophobicContact CG2-CD2 4.44Å; T34-L79 WeakPolarHBondContact OG1-CD2 3.18Å
35	L	95.9	Very high	94.5	Very high	67 Å²	67	35.8 Å²	35.8	35%	0.351	18%	0.18	S	C	.	.	H	α-helix	trans	-64.1	-39	177.2	-69.5	174.4	0	0	0	111.9	Q31 V32 L37 V38 A39 I242	Q31-L35 HydrophobicContact CG-CD1 4.25Å; Q31-L35 WeakPolarHBondContact O-CG 3.16Å; Q31-L35 PolarHBondContact O-N 3.27Å; V32-L35 PolarHBondContact O-N 3.17Å; L35-L37 PolarHBondContact O-N 3.46Å; L35-V38 PolarHBondContact O-N 2.89Å; L35-A39 PolarHBondContact O-N 3.45Å; L35-A39 VanDerWaalsContact O-N 3.08Å; L35-I242 HydrophobicContact CB-CG2 3.53Å; L35-I242 HydrophobicContact CD1-CG2 4.42Å
36	G	96.8	Very high	94.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-57.1	-46.6	172.2	0	0	0	0	0	112.1	V32 L33 T34 A39 L40	V32-G36 PolarHBondContact O-N 2.94Å; L33-G36 PolarHBondContact O-N 2.92Å; T34-G36 VanDerWaalsContact C-N 3.33Å; T34-G36 PolarHBondContact O-N 3.19Å; G36-A39 PolarHBondContact O-N 3.43Å; G36-L40 WeakPolarHBondContact O-CG 3.39Å; G36-L40 PolarHBondContact O-N 2.96Å
37	L	95.4	Very high	94.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66.9	-37.5	175.8	-73.1	-169.1	0	0	0	113.9	F15 L33 T34 L35 A39 L40 Q41 A48 I50 V70 F74 C90 T92	F15-L37 HydrophobicContact CB-CD2 4.08Å; L33-L37 PolarHBondContact O-N 2.99Å; T34-L37 PolarHBondContact O-N 2.81Å; L35-L37 PolarHBondContact O-N 3.46Å; L37-A39 PolarHBondContact O-N 2.94Å; L37-L40 CarbonylContact O-C 3.47Å; L37-L40 VanDerWaalsContact O-C 3.23Å; L37-L40 WeakPolarHBondContact O-CA 3.29Å; L37-L40 PolarHBondContact O-N 3.45Å; L37-Q41 PolarHBondContact O-N 3.22Å; L37-A48 HydrophobicContact CD1-CB 4.3Å; L37-I50 HydrophobicContact CD1-CG1 4.49Å; L37-V70 HydrophobicContact CB-CG1 4.15Å; L37-V70 HydrophobicContact CB-CG2 3.77Å; L37-V70 HydrophobicContact CD1-CG2 4.44Å; L37-F74 HydrophobicContact CD1-CE2 4.29Å; L37-C90 HydrophobicContact CD1-CB 3.72Å; L37-C90 HydrophobicContact CD2-CB 4.25Å; L37-C90 VanDerWaalsContact CD2-SG 3.54Å; L37-C90 HydrophobicContact CG-CB 3.99Å; L37-C90 WeakPolarHBondContact CG-SG 3.19Å; L37-T92 HydrophobicContact CB-CG2 4.1Å; L37-T92 HydrophobicContact CD1-CG2 4.26Å; L37-T92 HydrophobicContact CD2-CG2 4.09Å; L37-T92 HydrophobicContact CG-CG2 4.37Å
38	V	95.6	Very high	94.3	Very high	78 Å²	78	25.4 Å²	25.4	47%	0.473	13%	0.129	S	C	.	.	H	α-helix	trans	-58.1	-41.1	174.2	170.5	0	0	0	0	110.1	T34 L35 L40 Q41 V70	T34-V38 WeakPolarHBondContact O-CG2 3.27Å; T34-V38 PolarHBondContact O-N 2.68Å; L35-V38 PolarHBondContact O-N 2.89Å; V38-L40 PolarHBondContact O-N 3.06Å; V38-Q41 VanDerWaalsContact O-CB 3.24Å; V38-Q41 WeakPolarHBondContact O-CB 3.43Å; V38-Q41 PolarHBondContact O-N 3.02Å; V38-Q41 VanDerWaalsContact O-N 3.15Å; V38-V70 HydrophobicContact CG2-CB 4.11Å; V38-V70 HydrophobicContact CG2-CG1 3.67Å
39	A	95.6	Very high	94.4	Very high	5 Å²	5	20 Å²	20	4%	0.041	10%	0.103	C	C	.	.	H	α-helix	trans	-68.8	-20.5	177.2	0	0	0	0	0	113.9	L35 G36 L37 H42 R289	L35-A39 PolarHBondContact O-N 3.45Å; L35-A39 VanDerWaalsContact O-N 3.08Å; G36-A39 PolarHBondContact O-N 3.43Å; L37-A39 PolarHBondContact O-N 2.94Å; A39-H42 PolarHBondContact O-ND1 3.39Å; A39-R289 PolarHBondContact O-NH1 3.19Å
40	L	96	Very high	94.5	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	16.1	172.8	-58.8	-179.8	0	0	0	112.8	F15 G36 L37 V38 H42 R43 T92 E235	F15-L40 HydrophobicContact CB-CD1 4.09Å; G36-L40 WeakPolarHBondContact O-CG 3.39Å; G36-L40 PolarHBondContact O-N 2.96Å; L37-L40 CarbonylContact O-C 3.47Å; L37-L40 VanDerWaalsContact O-C 3.23Å; L37-L40 WeakPolarHBondContact O-CA 3.29Å; L37-L40 PolarHBondContact O-N 3.45Å; V38-L40 PolarHBondContact O-N 3.06Å; L40-H42 PolarHBondContact O-N 3.02Å; L40-R43 VanDerWaalsContact O-CB 3.27Å; L40-R43 WeakPolarHBondContact O-CB 3.4Å; L40-R43 PolarHBondContact O-N 3.12Å; L40-T92 PolarHBondContact O-OG1 3.43Å; L40-E235 HydrophobicContact CD2-CB 3.71Å; L40-E235 HydrophobicContact CD2-CG 4.43Å
41	Q	93.7	Very high	94.6	Very high	33 Å²	33	19.8 Å²	19.8	15%	0.154	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-63.5	-27.6	-174.7	-175.4	70.8	86.2	0	0	112.7	L37 V38 R43 G44 Q45 L69	L37-Q41 PolarHBondContact O-N 3.22Å; V38-Q41 VanDerWaalsContact O-CB 3.24Å; V38-Q41 WeakPolarHBondContact O-CB 3.43Å; V38-Q41 PolarHBondContact O-N 3.02Å; V38-Q41 VanDerWaalsContact O-N 3.15Å; Q41-R43 PolarHBondContact O-N 3.03Å; Q41-G44 PolarHBondContact NE2-O 3.41Å; Q41-G44 CarbonylContact O-C 3.57Å; Q41-G44 PolarHBondContact O-N 2.94Å; Q41-G44 VanDerWaalsContact O-N 3.14Å; Q41-G44 VanDerWaalsContact O-O 3.13Å; Q41-Q45 WeakPolarHBondContact O-CG 3.17Å; Q41-L69 HydrophobicContact CG-CD2 4.12Å
42	H	90.9	Very high	94.7	Very high	42 Å²	42	16 Å²	16	19%	0.194	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-68.1	-9.2	175.4	67.5	-75.1	0	0	0	113.6	E10 A39 L40 E235 F287 R289	E10-H42 WeakPolarHBondContact CB-O 3.42Å; E10-H42 VanDerWaalsContact CG-O 3.24Å; E10-H42 WeakPolarHBondContact CG-O 3.41Å; A39-H42 PolarHBondContact O-ND1 3.39Å; L40-H42 PolarHBondContact O-N 3.02Å; H42-E235 IonicContact CD2-OE1 3.26Å; H42-E235 IonicContact CE1-OE1 3.91Å; H42-E235 PolarHBondContact CE1-OE1 3.02Å; H42-E235 VanDerWaalsContact CE1-OE1 3.3Å; H42-E235 IonicContact NE2-OE1 3.63Å; H42-E235 PolarHBondContact NE2-OE1 2.87Å; H42-E235 IonicContact NE2-OE2 3.81Å; H42-F287 PolarHBondContact CD2-O 2.63Å; H42-R289 WeakPolarHBondContact CE1-CD 3.33Å; H42-R289 WeakPolarHBondContact ND1-CD 3.4Å
43	R	92.1	Very high	94.7	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.008	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-86.3	-17.9	172.9	-81	-161.5	179.8	-86.6	-14.1	112.9	E11 C12 L40 Q41 E235 E283	E11-R43 CarbonylContact C-O 3.57Å; E11-R43 WeakPolarHBondContact CA-O 3.39Å; E11-R43 PolarHBondContact N-O 3.32Å; E11-R43 CarbonylContact O-C 3.57Å; E11-R43 VanDerWaalsContact O-C 3.31Å; E11-R43 WeakPolarHBondContact O-CA 3.49Å; E11-R43 WeakPolarHBondContact O-CB 3.27Å; E11-R43 VanDerWaalsContact O-CG 3.25Å; E11-R43 WeakPolarHBondContact O-CG 3.46Å; C12-R43 PolarHBondContact N-O 2.98Å; L40-R43 VanDerWaalsContact O-CB 3.27Å; L40-R43 WeakPolarHBondContact O-CB 3.4Å; L40-R43 PolarHBondContact O-N 3.12Å; Q41-R43 PolarHBondContact O-N 3.03Å; R43-E235 IonicContact CZ-OE1 2.87Å; R43-E235 IonicContact NE-OE1 3.84Å; R43-E235 PolarHBondContact NE-OE1 2.93Å; R43-E235 VanDerWaalsContact NH2-CG 3.3Å; R43-E235 IonicContact NH2-OE1 3.59Å; R43-E235 PolarHBondContact NH2-OE1 3.41Å; R43-E283 IonicContact CZ-OE1 3.43Å; R43-E283 IonicContact CZ-OE2 3.23Å; R43-E283 IonicContact NH1-OE1 3.66Å; R43-E283 PolarHBondContact NH1-OE1 3.39Å; R43-E283 IonicContact NH1-OE2 3.07Å; R43-E283 PolarHBondContact NH1-OE2 3.47Å; R43-E283 IonicContact NH2-OE1 2.73Å; R43-E283 PolarHBondContact NH2-OE1 2.61Å; R43-E283 IonicContact NH2-OE2 2.84Å; R43-E283 PolarHBondContact NH2-OE2 3.02Å
44	G	89.8	Confident	94.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.093	C	C	.	.			trans	178.7	131	178.7	0	0	0	0	0	112.5	Q41 T92 R93	Q41-G44 PolarHBondContact NE2-O 3.41Å; Q41-G44 CarbonylContact O-C 3.57Å; Q41-G44 PolarHBondContact O-N 2.94Å; Q41-G44 VanDerWaalsContact O-N 3.14Å; Q41-G44 VanDerWaalsContact O-O 3.13Å; G44-T92 WeakPolarHBondContact O-CB 3.4Å; G44-R93 CarbonylContact C-O 3.53Å; G44-R93 VanDerWaalsContact C-O 3.28Å; G44-R93 VanDerWaalsContact CA-O 3.24Å; G44-R93 WeakPolarHBondContact CA-O 3.31Å
45	Q	89.5	Confident	94.3	Very high	52 Å²	52	17.9 Å²	17.9	24%	0.243	10%	0.097	C	C	.	.			trans	-119.7	2.6	-172.8	-60.8	170.4	32.3	0	0	112.9	E10 Q41 G68 L69 R93 R355	E10-Q45 VanDerWaalsContact CD-NE2 3.34Å; E10-Q45 PolarHBondContact OE1-NE2 3.43Å; E10-Q45 PolarHBondContact OE2-NE2 3.49Å; Q41-Q45 WeakPolarHBondContact O-CG 3.17Å; Q45-G68 CarbonylContact O-C 3.59Å; Q45-G68 VanDerWaalsContact O-C 3.28Å; Q45-G68 WeakPolarHBondContact O-CA 3.35Å; Q45-L69 HydrophobicContact CB-CD2 3.72Å; Q45-L69 HydrophobicContact CG-CD2 3.86Å; Q45-R93 PolarHBondContact N-O 3.01Å; Q45-R355 VanDerWaalsContact OE1-NE 3.09Å
46	E	87.6	Confident	93.9	Very high	28 Å²	28	16.8 Å²	16.8	13%	0.131	10%	0.098	C	C	.	.	S	Bend	trans	-87.6	-33.4	-173.2	-67.9	-174.1	-151.4	0	0	113.3	M67 G68 R93 S95 S100	E46-M67 WeakPolarHBondContact O-CE 3.26Å; E46-G68 PolarHBondContact O-N 3.37Å; E46-R93 WeakPolarHBondContact CB-O 3.33Å; E46-R93 PolarHBondContact N-O 3.04Å; E46-R93 VanDerWaalsContact N-O 3.08Å; E46-S95 VanDerWaalsContact CD-N 3.26Å; E46-S95 WeakPolarHBondContact OE1-CB 3.42Å; E46-S95 PolarHBondContact OE1-N 3.47Å; E46-S95 WeakPolarHBondContact OE2-CB 3.35Å; E46-S95 PolarHBondContact OE2-N 3.24Å; E46-S95 PolarHBondContact OE2-OG 3.01Å; E46-S100 VanDerWaalsContact OE2-CB 3.23Å; E46-S100 WeakPolarHBondContact OE2-CB 3.42Å; E46-S100 PolarHBondContact OE2-OG 2.78Å
47	S	92.3	Very high	93.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	163.4	176.1	64.3	0	0	0	0	111.3	G66 G68 R93 C105	S47-G66 VanDerWaalsContact CA-O 3.31Å; S47-G66 WeakPolarHBondContact CA-O 3.46Å; S47-G66 VanDerWaalsContact CB-O 3.3Å; S47-G66 WeakPolarHBondContact CB-O 3.33Å; S47-G68 WeakPolarHBondContact CA-O 3.24Å; S47-G68 PolarHBondContact N-O 2.95Å; S47-R93 PolarHBondContact O-N 2.97Å; S47-R93 WeakPolarHBondContact OG-CB 3.42Å; S47-C105 WeakPolarHBondContact CB-SG 3.38Å; S47-C105 PolarHBondContact OG-SG 3.36Å
48	A	95.9	Very high	92.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	154.1	172.2	0	0	0	0	0	111.5	L37 K65 G66 V70 A73 F74 H91 T92	L37-A48 HydrophobicContact CD1-CB 4.3Å; A48-K65 WeakPolarHBondContact O-CA 3.49Å; A48-G66 PolarHBondContact N-O 3.29Å; A48-G66 PolarHBondContact O-N 3.31Å; A48-V70 HydrophobicContact CB-CG2 3.95Å; A48-A73 HydrophobicContact CB-CB 4.09Å; A48-F74 HydrophobicContact CB-CE2 3.54Å; A48-F74 HydrophobicContact CB-CZ 4.04Å; A48-H91 CarbonylContact C-O 3.52Å; A48-H91 WeakPolarHBondContact CA-O 3.29Å; A48-T92 HydrophobicContact CB-CG2 4.31Å
49	G	97.1	Very high	91.8	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	149.5	176	0	0	0	0	0	113.1	H64 C90 H91 Q106 P107	G49-H64 CarbonylContact C-O 3.51Å; G49-H64 WeakPolarHBondContact CA-O 3.47Å; G49-C90 CarbonylContact O-C 3.6Å; G49-C90 WeakPolarHBondContact O-CA 3.26Å; G49-C90 WeakPolarHBondContact O-CB 3.31Å; G49-H91 PolarHBondContact N-O 3.36Å; G49-H91 PolarHBondContact O-N 3.48Å; G49-Q106 VanDerWaalsContact CA-O 3.26Å; G49-Q106 WeakPolarHBondContact CA-O 3.26Å; G49-P107 WeakPolarHBondContact O-CD 3.4Å
50	I	98.3	Very high	91.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	137.8	176.3	-65.6	166.5	0	0	0	108.2	L33 T34 L37 T52 S63 H64 F74 L79 L82 C90	L33-I50 HydrophobicContact CB-CD1 4.4Å; L33-I50 HydrophobicContact CD1-CG2 3.75Å; T34-I50 WeakPolarHBondContact OG1-CD1 3.44Å; L37-I50 HydrophobicContact CD1-CG1 4.49Å; I50-T52 HydrophobicContact CG2-CG2 3.9Å; I50-S63 WeakPolarHBondContact O-CA 3.35Å; I50-H64 PolarHBondContact N-O 3.27Å; I50-H64 PolarHBondContact O-N 2.89Å; I50-F74 HydrophobicContact CB-CE1 3.9Å; I50-F74 HydrophobicContact CB-CZ 4.19Å; I50-F74 HydrophobicContact CD1-CD1 3.79Å; I50-F74 HydrophobicContact CD1-CD2 4.31Å; I50-F74 HydrophobicContact CD1-CE1 3.5Å; I50-F74 HydrophobicContact CD1-CE2 4.05Å; I50-F74 HydrophobicContact CD1-CG 4.19Å; I50-F74 HydrophobicContact CD1-CZ 3.65Å; I50-F74 HydrophobicContact CG1-CD1 4.38Å; I50-F74 HydrophobicContact CG1-CE1 3.59Å; I50-F74 HydrophobicContact CG1-CE2 4.23Å; I50-F74 HydrophobicContact CG1-CZ 3.51Å; I50-L79 HydrophobicContact CD1-CD2 4.5Å; I50-L82 HydrophobicContact CB-CD1 3.87Å; I50-L82 HydrophobicContact CD1-CD1 4.2Å; I50-L82 HydrophobicContact CG2-CD1 3.75Å; I50-L82 HydrophobicContact CG2-CD2 4.31Å; I50-C90 HydrophobicContact CB-CB 4.17Å; I50-C90 HydrophobicContact CG1-CB 3.53Å; I50-C90 HydrophobicContact CG2-CB 4.48Å
51	V	98	Very high	91.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	123.5	166.1	-174.6	0	0	0	0	108.4	Y61 T62 G88 I89 P107 V109 A118 M189	V51-Y61 HydrophobicContact CG1-CD1 3.8Å; V51-T62 CarbonylContact C-O 3.56Å; V51-T62 WeakPolarHBondContact CA-O 3.3Å; V51-G88 CarbonylContact O-C 3.46Å; V51-G88 WeakPolarHBondContact O-CA 3.05Å; V51-I89 PolarHBondContact N-O 3.01Å; V51-I89 PolarHBondContact O-N 2.99Å; V51-P107 HydrophobicContact CB-CB 4.5Å; V51-P107 HydrophobicContact CB-CG 4.38Å; V51-P107 HydrophobicContact CG2-CB 3.78Å; V51-P107 HydrophobicContact CG2-CG 3.85Å; V51-V109 HydrophobicContact CB-CG2 4.45Å; V51-V109 HydrophobicContact CG1-CG2 3.9Å; V51-V109 HydrophobicContact CG2-CG2 3.72Å; V51-A118 HydrophobicContact CB-CB 4.31Å; V51-A118 HydrophobicContact CG1-CB 4Å; V51-M189 HydrophobicContact CB-CE 4.33Å; V51-M189 HydrophobicContact CG1-CE 3.74Å
52	T	97.8	Very high	91.6	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	154.8	174	60.6	0	0	0	0	111.3	L33 I50 Y61 T62 L82 L87	L33-T52 HydrophobicContact CD1-CG2 3.93Å; I50-T52 HydrophobicContact CG2-CG2 3.9Å; T52-Y61 WeakPolarHBondContact O-CA 3.35Å; T52-T62 PolarHBondContact N-O 3.28Å; T52-T62 PolarHBondContact O-N 3.25Å; T52-L82 HydrophobicContact CG2-CB 4.15Å; T52-L82 HydrophobicContact CG2-CD2 4.34Å; T52-L82 PolarHBondContact OG1-O 3.42Å; T52-L87 CarbonylContact C-O 3.55Å; T52-L87 WeakPolarHBondContact CA-O 3.37Å
53	S	96.9	Very high	91.8	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.007	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	146.2	174.7	174.9	0	0	0	0	110.2	G55 T60 G85 N86 L87 K191	S53-G55 VanDerWaalsContact C-N 3.25Å; S53-G55 PolarHBondContact OG-N 3.08Å; S53-T60 VanDerWaalsContact CA-O 3.3Å; S53-T60 WeakPolarHBondContact CA-O 3.39Å; S53-G85 CarbonylContact O-C 3.49Å; S53-G85 WeakPolarHBondContact O-CA 3.47Å; S53-N86 PolarHBondContact O-N 2.73Å; S53-L87 PolarHBondContact N-O 2.99Å; S53-L87 WeakPolarHBondContact O-CD2 3.21Å; S53-L87 PolarHBondContact O-N 2.93Å; S53-K191 PolarHBondContact OG-O 3.41Å
54	N	94.4	Very high	92	Very high	50 Å²	50	33.7 Å²	33.7	27%	0.267	21%	0.211	S	C	.	.			trans	-79.9	-8.7	168.6	66.8	-2.8	0	0	0	112.6	A56 T60 N86	N54-A56 PolarHBondContact O-N 3.04Å; N54-A56 VanDerWaalsContact O-N 3.16Å; N54-A56 WeakPolarHBondContact OD1-CB 3.38Å; N54-A56 PolarHBondContact OD1-N 2.78Å; N54-T60 PolarHBondContact N-O 2.93Å; N54-T60 PolarHBondContact OD1-N 3.5Å; N54-N86 PolarHBondContact O-ND2 3.08Å
55	G	91.5	Very high	92.3	Very high	16 Å²	16	36.3 Å²	36.3	17%	0.165	22%	0.223	C	C	.	.			trans	65.1	13.3	-178.3	0	0	0	0	0	114.7	S53	S53-G55 VanDerWaalsContact C-N 3.25Å; S53-G55 PolarHBondContact OG-N 3.08Å
56	A	87.1	Confident	92.5	Very high	44 Å²	44	34.4 Å²	34.4	36%	0.364	22%	0.217	S	C	.	.			trans	-70.8	173.1	175.9	0	0	0	0	0	111.3	N54 P58 P59	N54-A56 PolarHBondContact O-N 3.04Å; N54-A56 VanDerWaalsContact O-N 3.16Å; N54-A56 WeakPolarHBondContact OD1-CB 3.38Å; N54-A56 PolarHBondContact OD1-N 2.78Å; A56-P58 CarbonylContact C-O 3.59Å; A56-P58 CarbonylContact O-C 3.43Å; A56-P59 WeakPolarHBondContact O-CA 3.49Å; A56-P59 WeakPolarHBondContact O-CB 3.22Å; A56-P59 VanDerWaalsContact O-CD 3.31Å; A56-P59 WeakPolarHBondContact O-CD 3.41Å
57	S	80.3	Confident	92.7	Very high	111 Å²	111	36.3 Å²	36.3	78%	0.776	23%	0.227	S	C	*	.	S	Bend	trans	-121.5	105.8	171.4	-169.6	0	0	0	0	109.2
58	P	79.5	Confident	92.6	Very high	113 Å²	113	37.5 Å²	37.5	73%	0.734	24%	0.239	S	C	*	.	S	Bend	cis	-73.9	148.7	-0.4	31.6	-34.9	0	0	0	113.1	A56	A56-P58 CarbonylContact C-O 3.59Å; A56-P58 CarbonylContact O-C 3.43Å
59	P	83.3	Confident	92.4	Very high	26 Å²	26	40.7 Å²	40.7	17%	0.169	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-75.8	141	-178.3	30	-36.2	0	0	0	111.3	A56 Y61 K191	A56-P59 WeakPolarHBondContact O-CA 3.49Å; A56-P59 WeakPolarHBondContact O-CB 3.22Å; A56-P59 VanDerWaalsContact O-CD 3.31Å; A56-P59 WeakPolarHBondContact O-CD 3.41Å; P59-Y61 HydrophobicContact CB-CD2 4.18Å; P59-Y61 HydrophobicContact CB-CE2 3.74Å; P59-Y61 HydrophobicContact CG-CD2 4.32Å; P59-Y61 HydrophobicContact CG-CE2 3.69Å; P59-K191 HydrophobicContact CG-CG 4.24Å
60	T	90.7	Very high	92.3	Very high	79 Å²	79	40.8 Å²	40.8	49%	0.485	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-97	119.9	171	-57.8	0	0	0	0	109.4	S53 N54	S53-T60 VanDerWaalsContact CA-O 3.3Å; S53-T60 WeakPolarHBondContact CA-O 3.39Å; N54-T60 PolarHBondContact N-O 2.93Å; N54-T60 PolarHBondContact OD1-N 3.5Å
61	Y	94.8	Very high	91.8	Very high	19 Å²	19	45.1 Å²	45.1	8%	0.075	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	124.8	176.2	-76.6	-121.6	0	0	0	109.2	V51 T52 P59 V109 R116 A118 M189 F190 K191	V51-Y61 HydrophobicContact CG1-CD1 3.8Å; T52-Y61 WeakPolarHBondContact O-CA 3.35Å; P59-Y61 HydrophobicContact CB-CD2 4.18Å; P59-Y61 HydrophobicContact CB-CE2 3.74Å; P59-Y61 HydrophobicContact CG-CD2 4.32Å; P59-Y61 HydrophobicContact CG-CE2 3.69Å; Y61-V109 HydrophobicContact CD1-CG1 4.18Å; Y61-R116 HydrophobicContact CD1-CB 4.5Å; Y61-R116 HydrophobicContact CD2-CB 4Å; Y61-R116 HydrophobicContact CE1-CB 4.41Å; Y61-R116 HydrophobicContact CE2-CB 3.92Å; Y61-R116 HydrophobicContact CG-CB 4.32Å; Y61-R116 PolarHBondContact OH-O 2.61Å; Y61-R116 VanDerWaalsContact OH-O 3.06Å; Y61-A118 HydrophobicContact CD1-CB 4.1Å; Y61-A118 HydrophobicContact CE1-CB 3.81Å; Y61-M189 HydrophobicContact CD1-CE 3.65Å; Y61-M189 HydrophobicContact CE1-CE 3.4Å; Y61-M189 VanDerWaalsContact CE1-CE 3.4Å; Y61-M189 HydrophobicContact CE1-CG 4.45Å; Y61-M189 PolarHBondContact OH-O 3.46Å; Y61-F190 VanDerWaalsContact OH-CA 3.32Å; Y61-F190 WeakPolarHBondContact OH-CA 3.25Å; Y61-K191 PolarHBondContact OH-N 2.82Å
62	T	95.9	Very high	91.5	Very high	48 Å²	48	49.9 Å²	49.9	29%	0.294	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	126.9	173.1	-52.9	0	0	0	0	108.9	V51 T52 K81 L82	V51-T62 CarbonylContact C-O 3.56Å; V51-T62 WeakPolarHBondContact CA-O 3.3Å; T52-T62 PolarHBondContact N-O 3.28Å; T52-T62 PolarHBondContact O-N 3.25Å; T62-K81 HydrophobicContact CG2-CB 4.48Å; T62-K81 WeakPolarHBondContact CG2-O 3.28Å; T62-L82 HydrophobicContact CG2-CD2 3.94Å; T62-L82 WeakPolarHBondContact O-CD2 3.48Å
63	S	95.6	Very high	91.2	Very high	72 Å²	72	50 Å²	50	50%	0.503	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	145.6	-178.1	63.4	0	0	0	0	111.8	I50	I50-S63 WeakPolarHBondContact O-CA 3.35Å
64	H	96.5	Very high	91.1	Very high	46 Å²	46	50.5 Å²	50.5	21%	0.213	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	134.9	167	-174.9	85.8	0	0	0	109.3	G49 I50 A73 F74 A78 L82	G49-H64 CarbonylContact C-O 3.51Å; G49-H64 WeakPolarHBondContact CA-O 3.47Å; I50-H64 PolarHBondContact N-O 3.27Å; I50-H64 PolarHBondContact O-N 2.89Å; H64-A73 PolarHBondContact CD2-O 2.76Å; H64-A73 PolarHBondContact NE2-O 3.04Å; H64-F74 HydrophobicContact CB-CE1 4.44Å; H64-F74 AromaticContact CD2-CD1 3.52Å; H64-F74 AromaticContact CD2-CE1 3.68Å; H64-A78 VanDerWaalsContact CE1-CB 3.42Å; H64-A78 WeakPolarHBondContact CE1-CB 3.26Å; H64-A78 WeakPolarHBondContact NE2-CB 3.43Å; H64-L82 HydrophobicContact CB-CD1 4.19Å; H64-L82 HydrophobicContact CB-CD2 4.47Å
65	K	95.4	Very high	90.9	Very high	56 Å²	56	49.9 Å²	49.9	24%	0.243	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	143.4	-178.2	-59.7	177.4	179.1	-174.9	0	109.1	A48 L102 C105 P107	A48-K65 WeakPolarHBondContact O-CA 3.49Å; K65-L102 HydrophobicContact CB-CD1 4.27Å; K65-C105 HydrophobicContact CB-CB 3.99Å; K65-C105 HydrophobicContact CD-CB 3.84Å; K65-C105 WeakPolarHBondContact CD-O 3.23Å; K65-C105 VanDerWaalsContact CE-O 3.27Å; K65-C105 WeakPolarHBondContact CE-O 3.32Å; K65-C105 HydrophobicContact CG-CB 4.27Å; K65-C105 PolarHBondContact NZ-O 3.32Å; K65-P107 WeakPolarHBondContact CE-O 3.32Å; K65-P107 PolarHBondContact NZ-O 3.49Å
66	G	93.6	Very high	90.9	Very high	11 Å²	11	53.7 Å²	53.7	11%	0.113	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	154.2	179.7	0	0	0	0	0	112.2	S47 A48	S47-G66 VanDerWaalsContact CA-O 3.31Å; S47-G66 WeakPolarHBondContact CA-O 3.46Å; S47-G66 VanDerWaalsContact CB-O 3.3Å; S47-G66 WeakPolarHBondContact CB-O 3.33Å; A48-G66 PolarHBondContact N-O 3.29Å; A48-G66 PolarHBondContact O-N 3.31Å
67	M	92.6	Very high	91	Very high	69 Å²	69	57 Å²	57	34%	0.34	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	155.5	172.9	-61.4	-56	-68	0	0	110.9	E46 S100 L102	E46-M67 WeakPolarHBondContact O-CE 3.26Å; M67-S100 WeakPolarHBondContact CE-OG 3.37Å; M67-L102 HydrophobicContact CG-CD1 4.4Å; M67-L102 HydrophobicContact SD-CB 4.27Å; M67-L102 HydrophobicContact SD-CD1 4.39Å
68	G	90.2	Very high	91.5	Very high	25 Å²	25	51.9 Å²	51.9	26%	0.258	31%	0.312	S	S	.	.	S	Bend	trans	83.8	-157.4	179.2	0	0	0	0	0	114	Q45 E46 S47	Q45-G68 CarbonylContact O-C 3.59Å; Q45-G68 VanDerWaalsContact O-C 3.28Å; Q45-G68 WeakPolarHBondContact O-CA 3.35Å; E46-G68 PolarHBondContact O-N 3.37Å; S47-G68 WeakPolarHBondContact CA-O 3.24Å; S47-G68 PolarHBondContact N-O 2.95Å
69	L	91.8	Very high	92	Very high	67 Å²	67	48 Å²	48	35%	0.351	28%	0.284	S	S	.	.			trans	-66.5	155.3	-179.6	-57.3	177	0	0	0	111.4	Q41 Q45 S71 T72 A73	Q41-L69 HydrophobicContact CG-CD2 4.12Å; Q45-L69 HydrophobicContact CB-CD2 3.72Å; Q45-L69 HydrophobicContact CG-CD2 3.86Å; L69-S71 PolarHBondContact O-N 2.67Å; L69-T72 PolarHBondContact O-N 2.86Å; L69-A73 WeakPolarHBondContact O-CB 3.38Å; L69-A73 PolarHBondContact O-N 3.34Å
70	V	93.3	Very high	92.5	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.006	30%	0.3	C	S	.	.	H	α-helix	trans	-53.7	-42.4	177.7	176.2	0	0	0	0	111	T34 L37 V38 A48 T72 A73 F74 T92	T34-V70 HydrophobicContact CG2-CG1 3.97Å; L37-V70 HydrophobicContact CB-CG1 4.15Å; L37-V70 HydrophobicContact CB-CG2 3.77Å; L37-V70 HydrophobicContact CD1-CG2 4.44Å; V38-V70 HydrophobicContact CG2-CB 4.11Å; V38-V70 HydrophobicContact CG2-CG1 3.67Å; A48-V70 HydrophobicContact CB-CG2 3.95Å; V70-T72 PolarHBondContact O-N 3.01Å; V70-A73 PolarHBondContact O-N 3.17Å; V70-F74 HydrophobicContact CG1-CD2 3.77Å; V70-F74 HydrophobicContact CG1-CE2 4.1Å; V70-F74 WeakPolarHBondContact O-CD2 3.47Å; V70-F74 PolarHBondContact O-N 2.73Å; V70-F74 VanDerWaalsContact O-N 3.09Å; V70-T92 HydrophobicContact CG2-CG2 3.57Å
71	S	89.6	Confident	92.5	Very high	92 Å²	92	54.1 Å²	54.1	64%	0.643	31%	0.306	S	S	*	.	H	α-helix	trans	-61.9	-27.2	178.2	58.3	0	0	0	0	114	L69	L69-S71 PolarHBondContact O-N 2.67Å
72	T	89.9	Confident	92.5	Very high	100 Å²	100	53.2 Å²	53.2	61%	0.613	30%	0.302	S	S	*	.	H	α-helix	trans	-92.2	-35	177.6	-51.4	0	0	0	0	111.2	L69 V70 F74	L69-T72 PolarHBondContact O-N 2.86Å; V70-T72 PolarHBondContact O-N 3.01Å; T72-F74 VanDerWaalsContact C-N 3.35Å; T72-F74 PolarHBondContact O-N 2.93Å
73	A	92.3	Very high	92.1	Very high	4 Å²	4	56 Å²	56	3%	0.033	31%	0.307	C	S	.	.	H	α-helix	trans	-69.8	-28.6	-179	0	0	0	0	0	113.2	A48 H64 L69 V70 P75	A48-A73 HydrophobicContact CB-CB 4.09Å; H64-A73 PolarHBondContact CD2-O 2.76Å; H64-A73 PolarHBondContact NE2-O 3.04Å; L69-A73 WeakPolarHBondContact O-CB 3.38Å; L69-A73 PolarHBondContact O-N 3.34Å; V70-A73 PolarHBondContact O-N 3.17Å; A73-P75 WeakPolarHBondContact O-CD 3.18Å
74	F	93.8	Very high	91.7	Very high	11 Å²	11	60.4 Å²	60.4	5%	0.048	31%	0.314	C	S	.	.			trans	-123.2	78.6	-176.6	-55.7	-76.7	0	0	0	113	L37 A48 I50 H64 V70 T72 L79	L37-F74 HydrophobicContact CD1-CE2 4.29Å; A48-F74 HydrophobicContact CB-CE2 3.54Å; A48-F74 HydrophobicContact CB-CZ 4.04Å; I50-F74 HydrophobicContact CB-CE1 3.9Å; I50-F74 HydrophobicContact CB-CZ 4.19Å; I50-F74 HydrophobicContact CD1-CD1 3.79Å; I50-F74 HydrophobicContact CD1-CD2 4.31Å; I50-F74 HydrophobicContact CD1-CE1 3.5Å; I50-F74 HydrophobicContact CD1-CE2 4.05Å; I50-F74 HydrophobicContact CD1-CG 4.19Å; I50-F74 HydrophobicContact CD1-CZ 3.65Å; I50-F74 HydrophobicContact CG1-CD1 4.38Å; I50-F74 HydrophobicContact CG1-CE1 3.59Å; I50-F74 HydrophobicContact CG1-CE2 4.23Å; I50-F74 HydrophobicContact CG1-CZ 3.51Å; H64-F74 HydrophobicContact CB-CE1 4.44Å; H64-F74 AromaticContact CD2-CD1 3.52Å; H64-F74 AromaticContact CD2-CE1 3.68Å; V70-F74 HydrophobicContact CG1-CD2 3.77Å; V70-F74 HydrophobicContact CG1-CE2 4.1Å; V70-F74 WeakPolarHBondContact O-CD2 3.47Å; V70-F74 PolarHBondContact O-N 2.73Å; V70-F74 VanDerWaalsContact O-N 3.09Å; T72-F74 VanDerWaalsContact C-N 3.35Å; T72-F74 PolarHBondContact O-N 2.93Å; F74-L79 HydrophobicContact CB-CD2 3.91Å; F74-L79 HydrophobicContact CB-CG 4.2Å; F74-L79 HydrophobicContact CD1-CD2 4.46Å; F74-L79 HydrophobicContact CG-CD2 4.4Å
75	P	91	Very high	91.6	Very high	37 Å²	37	58.4 Å²	58.4	24%	0.24	31%	0.306	C	S	.	.			trans	-69.2	162.2	169.5	33.9	-38.4	0	0	0	111	A73 E77 A78 L79	A73-P75 WeakPolarHBondContact O-CD 3.18Å; P75-E77 VanDerWaalsContact CB-OE1 3.25Å; P75-E77 WeakPolarHBondContact CB-OE1 3.4Å; P75-E77 WeakPolarHBondContact CB-OE2 3.35Å; P75-E77 HydrophobicContact CG-CG 4.26Å; P75-E77 WeakPolarHBondContact CG-OE1 3.22Å; P75-E77 PolarHBondContact O-N 3.15Å; P75-E77 VanDerWaalsContact O-N 3.12Å; P75-A78 HydrophobicContact CG-CB 4.04Å; P75-A78 WeakPolarHBondContact O-CA 3.46Å; P75-A78 VanDerWaalsContact O-CB 3.32Å; P75-A78 WeakPolarHBondContact O-CB 3.23Å; P75-A78 PolarHBondContact O-N 3.02Å; P75-L79 PolarHBondContact O-N 2.8Å
76	P	90.7	Very high	91.7	Very high	97 Å²	97	56.2 Å²	56.2	63%	0.63	30%	0.297	S	S	*	.	H	α-helix	trans	-52.3	-38.7	-174.5	-28.7	36.1	0	0	0	114.4	A78 L79 L80	P76-A78 VanDerWaalsContact C-N 3.29Å; P76-A78 PolarHBondContact O-N 2.85Å; P76-L79 PolarHBondContact O-N 2.85Å; P76-L80 WeakPolarHBondContact O-CG 3.23Å; P76-L80 PolarHBondContact O-N 2.97Å
77	E	90.9	Very high	91.9	Very high	114 Å²	114	55.7 Å²	55.7	53%	0.533	29%	0.291	S	S	.	.	H	α-helix	trans	-64.9	-29.6	177.4	66.3	-82.2	-170.9	0	0	113.7	P75	P75-E77 VanDerWaalsContact CB-OE1 3.25Å; P75-E77 WeakPolarHBondContact CB-OE1 3.4Å; P75-E77 WeakPolarHBondContact CB-OE2 3.35Å; P75-E77 HydrophobicContact CG-CG 4.26Å; P75-E77 WeakPolarHBondContact CG-OE1 3.22Å; P75-E77 PolarHBondContact O-N 3.15Å; P75-E77 VanDerWaalsContact O-N 3.12Å
78	A	90	Very high	92.2	Very high	2 Å²	2	52.4 Å²	52.4	2%	0.017	28%	0.275	C	S	.	.	H	α-helix	trans	-72.8	-44.4	174.4	0	0	0	0	0	110.7	H64 P75 P76 L80 K81	H64-A78 VanDerWaalsContact CE1-CB 3.42Å; H64-A78 WeakPolarHBondContact CE1-CB 3.26Å; H64-A78 WeakPolarHBondContact NE2-CB 3.43Å; P75-A78 HydrophobicContact CG-CB 4.04Å; P75-A78 WeakPolarHBondContact O-CA 3.46Å; P75-A78 VanDerWaalsContact O-CB 3.32Å; P75-A78 WeakPolarHBondContact O-CB 3.23Å; P75-A78 PolarHBondContact O-N 3.02Å; P76-A78 VanDerWaalsContact C-N 3.29Å; P76-A78 PolarHBondContact O-N 2.85Å; A78-L80 VanDerWaalsContact C-N 3.3Å; A78-L80 PolarHBondContact O-N 2.77Å; A78-K81 WeakPolarHBondContact O-CB 3.12Å; A78-K81 PolarHBondContact O-N 3.23Å; A78-K81 VanDerWaalsContact O-N 3.1Å
79	L	90.9	Very high	92.6	Very high	31 Å²	31	51.2 Å²	51.2	16%	0.162	26%	0.263	C	S	.	.	H	α-helix	trans	-62.4	-38.9	176.9	-64.8	178.3	0	0	0	111.9	T34 I50 F74 P75 P76 K81 L82 R83	T34-L79 HydrophobicContact CG2-CD2 4.44Å; T34-L79 WeakPolarHBondContact OG1-CD2 3.18Å; I50-L79 HydrophobicContact CD1-CD2 4.5Å; F74-L79 HydrophobicContact CB-CD2 3.91Å; F74-L79 HydrophobicContact CB-CG 4.2Å; F74-L79 HydrophobicContact CD1-CD2 4.46Å; F74-L79 HydrophobicContact CG-CD2 4.4Å; P75-L79 PolarHBondContact O-N 2.8Å; P76-L79 PolarHBondContact O-N 2.85Å; L79-K81 PolarHBondContact O-N 3.07Å; L79-L82 PolarHBondContact O-N 3.11Å; L79-R83 PolarHBondContact O-N 3.36Å
80	L	92.1	Very high	92.9	Very high	96 Å²	96	48 Å²	48	50%	0.503	25%	0.246	S	C	.	.	H	α-helix	trans	-57.2	-32.8	174.7	-77.9	174.6	0	0	0	112.5	P76 A78 L82 R83	P76-L80 WeakPolarHBondContact O-CG 3.23Å; P76-L80 PolarHBondContact O-N 2.97Å; A78-L80 VanDerWaalsContact C-N 3.3Å; A78-L80 PolarHBondContact O-N 2.77Å; L80-L82 VanDerWaalsContact C-N 3.28Å; L80-L82 PolarHBondContact O-N 3.13Å; L80-R83 VanDerWaalsContact O-CD 3.25Å; L80-R83 WeakPolarHBondContact O-CD 3.48Å; L80-R83 WeakPolarHBondContact O-CG 3.37Å; L80-R83 PolarHBondContact O-NH1 2.83Å
81	K	91.5	Very high	93.1	Very high	138 Å²	138	48 Å²	48	60%	0.6	25%	0.246	S	C	*	.	H	α-helix	trans	-69.9	-28.2	177.2	-65.2	171.9	-174.7	176.1	0	112.3	T62 A78 L79	T62-K81 HydrophobicContact CG2-CB 4.48Å; T62-K81 WeakPolarHBondContact CG2-O 3.28Å; A78-K81 WeakPolarHBondContact O-CB 3.12Å; A78-K81 PolarHBondContact O-N 3.23Å; A78-K81 VanDerWaalsContact O-N 3.1Å; L79-K81 PolarHBondContact O-N 3.07Å
82	L	93.9	Very high	93.4	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-89.2	-10.8	-174.8	-61.7	168.3	0	0	0	113.7	A30 I50 T52 T62 H64 L79 L80 Y84 G85	A30-L82 HydrophobicContact CB-CB 3.62Å; I50-L82 HydrophobicContact CB-CD1 3.87Å; I50-L82 HydrophobicContact CD1-CD1 4.2Å; I50-L82 HydrophobicContact CG2-CD1 3.75Å; I50-L82 HydrophobicContact CG2-CD2 4.31Å; T52-L82 HydrophobicContact CG2-CB 4.15Å; T52-L82 HydrophobicContact CG2-CD2 4.34Å; T52-L82 PolarHBondContact OG1-O 3.42Å; T62-L82 HydrophobicContact CG2-CD2 3.94Å; T62-L82 WeakPolarHBondContact O-CD2 3.48Å; H64-L82 HydrophobicContact CB-CD1 4.19Å; H64-L82 HydrophobicContact CB-CD2 4.47Å; L79-L82 PolarHBondContact O-N 3.11Å; L80-L82 VanDerWaalsContact C-N 3.28Å; L80-L82 PolarHBondContact O-N 3.13Å; L82-Y84 VanDerWaalsContact C-N 3.27Å; L82-Y84 PolarHBondContact O-N 2.89Å; L82-Y84 VanDerWaalsContact O-N 3.13Å; L82-G85 PolarHBondContact O-N 2.8Å
83	R	87.8	Confident	93.3	Very high	105 Å²	105	39.2 Å²	39.2	40%	0.396	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-23.3	-167.9	74.8	-171.8	178	-108.8	5.4	116.6	L79 L80 G85	L79-R83 PolarHBondContact O-N 3.36Å; L80-R83 VanDerWaalsContact O-CD 3.25Å; L80-R83 WeakPolarHBondContact O-CD 3.48Å; L80-R83 WeakPolarHBondContact O-CG 3.37Å; L80-R83 PolarHBondContact O-NH1 2.83Å; R83-G85 PolarHBondContact O-N 3.03Å
84	Y	88	Confident	92.8	Very high	166 Å²	166	39.6 Å²	39.6	65%	0.651	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	12	-177.2	-62.2	-66.7	0	0	0	113.9	L82	L82-Y84 VanDerWaalsContact C-N 3.27Å; L82-Y84 PolarHBondContact O-N 2.89Å; L82-Y84 VanDerWaalsContact O-N 3.13Å
85	G	94.3	Very high	91.5	Very high	3 Å²	3	40 Å²	40	3%	0.031	19%	0.192	C	C	.	.			trans	-83.6	136.2	178.6	0	0	0	0	0	113	V29 S53 L82 R83	V29-G85 WeakPolarHBondContact CB-O 2.91Å; V29-G85 WeakPolarHBondContact CG2-O 3.26Å; S53-G85 CarbonylContact O-C 3.49Å; S53-G85 WeakPolarHBondContact O-CA 3.47Å; L82-G85 PolarHBondContact O-N 2.8Å; R83-G85 PolarHBondContact O-N 3.03Å
86	N	97.6	Very high	89.9	Confident	10 Å²	10	39.8 Å²	39.8	5%	0.053	19%	0.19	C	C	.	.	S	Bend	trans	-94.2	-16.9	170.5	-62.5	-53.9	0	0	0	112.6	A19 W23 P24 T25 S53 N54	A19-N86 WeakPolarHBondContact CB-O 3.23Å; A19-N86 PolarHBondContact N-O 2.99Å; W23-N86 HydrophobicContact CB-CB 4.47Å; W23-N86 HydrophobicContact CD2-CB 3.4Å; W23-N86 VanDerWaalsContact CD2-CB 3.4Å; W23-N86 HydrophobicContact CE3-CB 3.76Å; W23-N86 HydrophobicContact CG-CB 3.75Å; W23-N86 HydrophobicContact CH2-CB 4.28Å; W23-N86 HydrophobicContact CZ2-CB 3.95Å; W23-N86 HydrophobicContact CZ3-CB 4.2Å; P24-N86 WeakPolarHBondContact CA-OD1 3.33Å; T25-N86 WeakPolarHBondContact CG2-OD1 3.38Å; T25-N86 PolarHBondContact N-OD1 2.81Å; S53-N86 PolarHBondContact O-N 2.73Å; N54-N86 PolarHBondContact O-ND2 3.08Å
87	L	98.4	Very high	88.4	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	160.8	174.1	69.8	167.9	0	0	0	109.9	C17 V18 W23 T52 S53 M189 I194	C17-L87 CarbonylContact O-C 3.5Å; C17-L87 WeakPolarHBondContact O-CA 3.22Å; C17-L87 WeakPolarHBondContact O-CB 3.36Å; V18-L87 HydrophobicContact CB-CB 4.33Å; V18-L87 HydrophobicContact CG1-CB 4.21Å; V18-L87 HydrophobicContact CG2-CB 4.11Å; W23-L87 HydrophobicContact CH2-CD1 4.5Å; W23-L87 HydrophobicContact CH2-CD2 3.79Å; W23-L87 HydrophobicContact CZ3-CD2 4.07Å; T52-L87 CarbonylContact C-O 3.55Å; T52-L87 WeakPolarHBondContact CA-O 3.37Å; S53-L87 PolarHBondContact N-O 2.99Å; S53-L87 WeakPolarHBondContact O-CD2 3.21Å; S53-L87 PolarHBondContact O-N 2.93Å; L87-M189 HydrophobicContact CD1-CG 4.02Å; L87-M189 HydrophobicContact CD1-SD 4.1Å; L87-M189 HydrophobicContact CG-CG 4.44Å; L87-M189 HydrophobicContact CG-SD 3.87Å; L87-I194 HydrophobicContact CD1-CG1 4.14Å
88	G	98.4	Very high	87	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.4	166.1	173.8	0	0	0	0	0	113.3	G16 C17 L33 V51 I194	G16-G88 VanDerWaalsContact CA-O 3.31Å; G16-G88 WeakPolarHBondContact CA-O 3.07Å; C17-G88 PolarHBondContact N-O 2.83Å; C17-G88 PolarHBondContact O-N 2.79Å; L33-G88 WeakPolarHBondContact CD2-O 3.18Å; V51-G88 CarbonylContact O-C 3.46Å; V51-G88 WeakPolarHBondContact O-CA 3.05Å; G88-I194 VanDerWaalsContact O-CD1 3.28Å; G88-I194 WeakPolarHBondContact O-CD1 3.06Å
89	I	98.8	Very high	86	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	152.2	174.2	58.3	169.6	0	0	0	109.3	F15 V51 P107 A118 A120 L187 M189 I194	F15-I89 CarbonylContact O-C 3.58Å; F15-I89 WeakPolarHBondContact O-CA 3.26Å; V51-I89 PolarHBondContact N-O 3.01Å; V51-I89 PolarHBondContact O-N 2.99Å; I89-P107 HydrophobicContact CD1-CB 3.85Å; I89-P107 HydrophobicContact CD1-CG 4.16Å; I89-P107 HydrophobicContact CG1-CB 4.08Å; I89-P107 HydrophobicContact CG1-CG 3.89Å; I89-A118 HydrophobicContact CD1-CB 3.78Å; I89-A118 WeakPolarHBondContact CD1-O 3.16Å; I89-A118 HydrophobicContact CG1-CB 4.29Å; I89-A120 HydrophobicContact CD1-CB 4.15Å; I89-L187 HydrophobicContact CB-CB 4.38Å; I89-L187 HydrophobicContact CG2-CB 3.82Å; I89-L187 HydrophobicContact CG2-CD1 4.19Å; I89-M189 HydrophobicContact CD1-CB 4.12Å; I89-M189 HydrophobicContact CG1-CB 4.26Å; I89-M189 HydrophobicContact CG2-CB 4.21Å; I89-I194 HydrophobicContact CG2-CD1 3.67Å; I89-I194 HydrophobicContact CG2-CG1 4.13Å; I89-I194 HydrophobicContact CG2-CG2 4.11Å
90	C	98.2	Very high	85.4	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	165.3	-177.7	64.4	0	0	0	0	111.5	F15 L33 L37 G49 I50	F15-C90 PolarHBondContact N-O 3.18Å; F15-C90 PolarHBondContact O-N 3Å; F15-C90 PolarHBondContact O-SG 3.08Å; L33-C90 HydrophobicContact CB-CB 4.35Å; L37-C90 HydrophobicContact CD1-CB 3.72Å; L37-C90 HydrophobicContact CD2-CB 4.25Å; L37-C90 VanDerWaalsContact CD2-SG 3.54Å; L37-C90 HydrophobicContact CG-CB 3.99Å; L37-C90 WeakPolarHBondContact CG-SG 3.19Å; G49-C90 CarbonylContact O-C 3.6Å; G49-C90 WeakPolarHBondContact O-CA 3.26Å; G49-C90 WeakPolarHBondContact O-CB 3.31Å; I50-C90 HydrophobicContact CB-CB 4.17Å; I50-C90 HydrophobicContact CG1-CB 3.53Å; I50-C90 HydrophobicContact CG2-CB 4.48Å
91	H	97.6	Very high	85	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	142.3	-171.2	176.9	-85.7	0	0	0	112.6	C12 G13 A48 G49 R93 Q106 A120 H121	C12-H91 WeakPolarHBondContact CB-NE2 3.41Å; C12-H91 VanDerWaalsContact SG-CE1 3.59Å; C12-H91 PolarHBondContact SG-NE2 3.35Å; G13-H91 CarbonylContact O-C 3.55Å; G13-H91 VanDerWaalsContact O-CA 3.22Å; G13-H91 WeakPolarHBondContact O-CA 3.24Å; A48-H91 CarbonylContact C-O 3.52Å; A48-H91 WeakPolarHBondContact CA-O 3.29Å; G49-H91 PolarHBondContact N-O 3.36Å; G49-H91 PolarHBondContact O-N 3.48Å; H91-R93 VanDerWaalsContact CE1-CA 3.44Å; H91-R93 WeakPolarHBondContact CE1-CA 3.35Å; H91-Q106 HydrophobicContact CB-CB 3.79Å; H91-Q106 PolarHBondContact CE1-NE2 3.23Å; H91-Q106 VanDerWaalsContact NE2-CD 3.33Å; H91-Q106 PolarHBondContact NE2-NE2 3.16Å; H91-A120 HydrophobicContact CB-CB 4.34Å; H91-H121 PolarHBondContact CD2-O 2.95Å; H91-H121 PolarHBondContact NE2-O 2.89Å
92	T	94.5	Very high	84.7	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	133.2	162.2	44.6	0	0	0	0	110.1	C12 G13 L37 L40 G44 A48 V70	C12-T92 CarbonylContact C-O 3.28Å; C12-T92 VanDerWaalsContact CA-O 3.23Å; C12-T92 WeakPolarHBondContact CA-O 3.36Å; C12-T92 WeakPolarHBondContact CB-O 3.33Å; G13-T92 PolarHBondContact N-O 2.83Å; G13-T92 PolarHBondContact N-OG1 3.04Å; G13-T92 PolarHBondContact O-N 2.74Å; L37-T92 HydrophobicContact CB-CG2 4.1Å; L37-T92 HydrophobicContact CD1-CG2 4.26Å; L37-T92 HydrophobicContact CD2-CG2 4.09Å; L37-T92 HydrophobicContact CG-CG2 4.37Å; L40-T92 PolarHBondContact O-OG1 3.43Å; G44-T92 WeakPolarHBondContact O-CB 3.4Å; A48-T92 HydrophobicContact CB-CG2 4.31Å; V70-T92 HydrophobicContact CG2-CG2 3.57Å
93	R	89.3	Confident	84.4	Confident	8 Å²	8	44.9 Å²	44.9	3%	0.03	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	139.4	-175	-166.5	173.8	172.1	-121	-5.1	112.7	G44 Q45 E46 S47 H91 S95 T97 F99 N104	G44-R93 CarbonylContact C-O 3.53Å; G44-R93 VanDerWaalsContact C-O 3.28Å; G44-R93 VanDerWaalsContact CA-O 3.24Å; G44-R93 WeakPolarHBondContact CA-O 3.31Å; Q45-R93 PolarHBondContact N-O 3.01Å; E46-R93 WeakPolarHBondContact CB-O 3.33Å; E46-R93 PolarHBondContact N-O 3.04Å; E46-R93 VanDerWaalsContact N-O 3.08Å; S47-R93 PolarHBondContact O-N 2.97Å; S47-R93 WeakPolarHBondContact OG-CB 3.42Å; H91-R93 VanDerWaalsContact CE1-CA 3.44Å; H91-R93 WeakPolarHBondContact CE1-CA 3.35Å; R93-S95 PolarHBondContact NH1-OG 2.78Å; R93-S95 PolarHBondContact NH2-OG 3.16Å; R93-S95 VanDerWaalsContact NH2-OG 3.14Å; R93-T97 PolarHBondContact NH2-O 3.43Å; R93-T97 VanDerWaalsContact NH2-O 3.14Å; R93-F99 PolarHBondContact NH1-O 2.92Å; R93-F99 PolarHBondContact NH2-O 3.13Å; R93-N104 VanDerWaalsContact CZ-CB 3.47Å; R93-N104 VanDerWaalsContact NH1-CB 3.32Å
94	Y	80.5	Confident	84.3	Confident	13 Å²	13	40 Å²	40	5%	0.051	20%	0.204	C	C	.	.			trans	-116.7	140.1	152.4	-163.5	-80.9	0	0	0	108.1	E5 G9 E10 T96 R355 N431	E5-Y94 PolarHBondContact OE2-OH 3.43Å; G9-Y94 VanDerWaalsContact CA-OH 3.23Å; G9-Y94 WeakPolarHBondContact CA-OH 3.46Å; E10-Y94 HydrophobicContact CB-CD2 3.52Å; E10-Y94 HydrophobicContact CB-CE2 3.95Å; E10-Y94 HydrophobicContact CB-CG 4.12Å; E10-Y94 HydrophobicContact CG-CD2 4.19Å; E10-Y94 HydrophobicContact CG-CE2 4.2Å; E10-Y94 VanDerWaalsContact N-CE2 3.26Å; E10-Y94 WeakPolarHBondContact O-CB 3.49Å; E10-Y94 WeakPolarHBondContact O-CD1 3.48Å; Y94-T96 PolarHBondContact O-N 3.06Å; Y94-R355 VanDerWaalsContact CE2-NH2 3.29Å; Y94-N431 HydrophobicContact CE1-CB 4.41Å
95	S	66.1	Low	84.5	Confident	18 Å²	18	32 Å²	32	13%	0.126	17%	0.173	C	C	.	.			trans	-81.1	104.1	178.3	-68.4	0	0	0	0	109.7	E46 R93	E46-S95 VanDerWaalsContact CD-N 3.26Å; E46-S95 WeakPolarHBondContact OE1-CB 3.42Å; E46-S95 PolarHBondContact OE1-N 3.47Å; E46-S95 WeakPolarHBondContact OE2-CB 3.35Å; E46-S95 PolarHBondContact OE2-N 3.24Å; E46-S95 PolarHBondContact OE2-OG 3.01Å; R93-S95 PolarHBondContact NH1-OG 2.78Å; R93-S95 PolarHBondContact NH2-OG 3.16Å; R93-S95 VanDerWaalsContact NH2-OG 3.14Å
96	T	58.3	Low	84.5	Confident	34 Å²	34	32.2 Å²	32.2	21%	0.209	17%	0.173	C	C	.	.	S	Bend	trans	-87.4	-45.7	170.1	56.9	0	0	0	0	109	E11 Y94 G429 N431	E11-T96 HydrophobicContact CG-CG2 4.11Å; Y94-T96 PolarHBondContact O-N 3.06Å; T96-G429 WeakPolarHBondContact CG2-O 3.3Å; T96-N431 HydrophobicContact CG2-CB 4.37Å
97	T	59.7	Low	84.4	Confident	54 Å²	54	31.7 Å²	31.7	33%	0.331	17%	0.171	S	C	.	.	S	Bend	trans	-134.2	151.8	168.6	56.2	0	0	0	0	111.3	R93 E124	R93-T97 PolarHBondContact NH2-O 3.43Å; R93-T97 VanDerWaalsContact NH2-O 3.14Å; T97-E124 WeakPolarHBondContact CG2-OE1 3.36Å
98	G	60	Low	84.3	Confident	30 Å²	30	32.6 Å²	32.6	31%	0.309	18%	0.175	S	C	.	.	S	Bend	trans	79.1	159.8	-176.6	0	0	0	0	0	114.2	S145	G98-S145 WeakPolarHBondContact CA-OG 3.49Å
99	F	69.3	Low	84.1	Confident	158 Å²	158	35 Å²	35	69%	0.693	19%	0.189	S	C	*	.			trans	-71	155.2	-176.6	-63.9	-71.6	0	0	0	112.7	R93 E101 N104	R93-F99 PolarHBondContact NH1-O 2.92Å; R93-F99 PolarHBondContact NH2-O 3.13Å; F99-E101 VanDerWaalsContact C-N 3.27Å; F99-E101 HydrophobicContact CB-CG 3.78Å; F99-E101 PolarHBondContact O-N 3.06Å; F99-N104 PolarHBondContact O-ND2 3.17Å
100	S	78.3	Confident	83.7	Confident	60 Å²	60	36.1 Å²	36.1	42%	0.42	20%	0.196	S	C	.	.	S	Bend	trans	-75.5	81.3	172	-158	0	0	0	0	109.8	E46 M67	E46-S100 VanDerWaalsContact OE2-CB 3.23Å; E46-S100 WeakPolarHBondContact OE2-CB 3.42Å; E46-S100 PolarHBondContact OE2-OG 2.78Å; M67-S100 WeakPolarHBondContact CE-OG 3.37Å
101	E	84.3	Confident	83.4	Confident	75 Å²	75	41.3 Å²	41.3	35%	0.35	22%	0.224	S	C	.	.			trans	-133.3	149.4	-174.5	-66.2	177.4	159.5	0	0	110.9	F99 Q103 N104	F99-E101 VanDerWaalsContact C-N 3.27Å; F99-E101 HydrophobicContact CB-CG 3.78Å; F99-E101 PolarHBondContact O-N 3.06Å; E101-Q103 HydrophobicContact CB-CG 3.97Å; E101-Q103 PolarHBondContact O-N 2.95Å; E101-Q103 VanDerWaalsContact O-N 3.15Å; E101-Q103 PolarHBondContact OE2-NE2 3.37Å; E101-N104 WeakPolarHBondContact O-CB 3.32Å; E101-N104 PolarHBondContact O-N 3.4Å
102	L	85.5	Confident	83	Confident	99 Å²	99	42.3 Å²	42.3	52%	0.518	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-58.1	-32.2	-177.6	-173.1	65.7	0	0	0	112.9	K65 M67 N104 C105	K65-L102 HydrophobicContact CB-CD1 4.27Å; M67-L102 HydrophobicContact CG-CD1 4.4Å; M67-L102 HydrophobicContact SD-CB 4.27Å; M67-L102 HydrophobicContact SD-CD1 4.39Å; L102-N104 PolarHBondContact O-N 3.36Å; L102-C105 VanDerWaalsContact CA-SG 3.6Å; L102-C105 WeakPolarHBondContact O-CB 3.45Å; L102-C105 PolarHBondContact O-N 3.35Å; L102-C105 VanDerWaalsContact O-N 3.12Å; L102-C105 PolarHBondContact O-SG 2.99Å; L102-C105 VanDerWaalsContact O-SG 3.33Å
103	Q	87	Confident	82.5	Confident	109 Å²	109	48.7 Å²	48.7	51%	0.509	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-64.5	-27	178.2	63.5	-175.4	16.6	0	0	113.3	E101 C105 T144	E101-Q103 HydrophobicContact CB-CG 3.97Å; E101-Q103 PolarHBondContact O-N 2.95Å; E101-Q103 VanDerWaalsContact O-N 3.15Å; E101-Q103 PolarHBondContact OE2-NE2 3.37Å; Q103-C105 VanDerWaalsContact C-N 3.31Å; Q103-T144 HydrophobicContact CB-CG2 4.32Å; Q103-T144 HydrophobicContact CG-CG2 4.35Å; Q103-T144 WeakPolarHBondContact O-CG2 3.13Å
104	N	86.8	Confident	82.4	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.011	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-86.9	-2.6	178	-62.8	-36.5	0	0	0	112.3	R93 F99 E101 L102 Q106 T144	R93-N104 VanDerWaalsContact CZ-CB 3.47Å; R93-N104 VanDerWaalsContact NH1-CB 3.32Å; F99-N104 PolarHBondContact O-ND2 3.17Å; E101-N104 WeakPolarHBondContact O-CB 3.32Å; E101-N104 PolarHBondContact O-N 3.4Å; L102-N104 PolarHBondContact O-N 3.36Å; N104-Q106 PolarHBondContact O-N 3.11Å; N104-T144 VanDerWaalsContact OD1-CB 3.24Å; N104-T144 WeakPolarHBondContact OD1-CB 3.43Å
105	C	91.6	Very high	82.8	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-67.7	128.5	177	-63.1	0	0	0	0	110.5	S47 K65 L102 Q103	S47-C105 WeakPolarHBondContact CB-SG 3.38Å; S47-C105 PolarHBondContact OG-SG 3.36Å; K65-C105 HydrophobicContact CB-CB 3.99Å; K65-C105 HydrophobicContact CD-CB 3.84Å; K65-C105 WeakPolarHBondContact CD-O 3.23Å; K65-C105 VanDerWaalsContact CE-O 3.27Å; K65-C105 WeakPolarHBondContact CE-O 3.32Å; K65-C105 HydrophobicContact CG-CB 4.27Å; K65-C105 PolarHBondContact NZ-O 3.32Å; L102-C105 VanDerWaalsContact CA-SG 3.6Å; L102-C105 WeakPolarHBondContact O-CB 3.45Å; L102-C105 PolarHBondContact O-N 3.35Å; L102-C105 VanDerWaalsContact O-N 3.12Å; L102-C105 PolarHBondContact O-SG 2.99Å; L102-C105 VanDerWaalsContact O-SG 3.33Å; Q103-C105 VanDerWaalsContact C-N 3.31Å
106	Q	94.1	Very high	84.1	Confident	6 Å²	6	54.4 Å²	54.4	3%	0.028	29%	0.293	C	S	.	.	S	Bend	trans	-89.2	166.8	173	-57.9	-167.9	49.9	0	0	110.7	G49 H91 N104 F108 H121 S148	G49-Q106 VanDerWaalsContact CA-O 3.26Å; G49-Q106 WeakPolarHBondContact CA-O 3.26Å; H91-Q106 HydrophobicContact CB-CB 3.79Å; H91-Q106 PolarHBondContact CE1-NE2 3.23Å; H91-Q106 VanDerWaalsContact NE2-CD 3.33Å; H91-Q106 PolarHBondContact NE2-NE2 3.16Å; N104-Q106 PolarHBondContact O-N 3.11Å; Q106-F108 HydrophobicContact CG-CD2 4.01Å; Q106-F108 HydrophobicContact CG-CE2 3.9Å; Q106-H121 PolarHBondContact NE2-O 2.76Å; Q106-H121 PolarHBondContact OE1-O 2.93Å; Q106-S148 VanDerWaalsContact CD-CB 3.44Å; Q106-S148 PolarHBondContact NE2-OG 2.73Å; Q106-S148 PolarHBondContact OE1-OG 2.9Å
107	P	96.6	Very high	85.8	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.283	C	S	.	.	P	Polyproline II helix	cis	-69	144.6	-5.8	-18.8	31	0	0	0	113.9	G49 V51 K65 I89 V119 A120	G49-P107 WeakPolarHBondContact O-CD 3.4Å; V51-P107 HydrophobicContact CB-CB 4.5Å; V51-P107 HydrophobicContact CB-CG 4.38Å; V51-P107 HydrophobicContact CG2-CB 3.78Å; V51-P107 HydrophobicContact CG2-CG 3.85Å; K65-P107 WeakPolarHBondContact CE-O 3.32Å; K65-P107 PolarHBondContact NZ-O 3.49Å; I89-P107 HydrophobicContact CD1-CB 3.85Å; I89-P107 HydrophobicContact CD1-CG 4.16Å; I89-P107 HydrophobicContact CG1-CB 4.08Å; I89-P107 HydrophobicContact CG1-CG 3.89Å; P107-V119 CarbonylContact C-O 3.57Å; P107-V119 WeakPolarHBondContact CA-O 3.44Å; P107-V119 WeakPolarHBondContact CB-O 3.5Å; P107-A120 HydrophobicContact CB-CB 4.23Å; P107-A120 HydrophobicContact CG-CB 4.16Å
108	F	94.7	Very high	87.6	Confident	18 Å²	18	50.2 Å²	50.2	8%	0.079	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	138	171.7	-80	-92.7	0	0	0	110.2	Q106 A118 V119 T144 E149	Q106-F108 HydrophobicContact CG-CD2 4.01Å; Q106-F108 HydrophobicContact CG-CE2 3.9Å; F108-A118 CarbonylContact O-C 3.54Å; F108-A118 WeakPolarHBondContact O-CA 3.38Å; F108-V119 PolarHBondContact N-O 3.27Å; F108-V119 PolarHBondContact O-N 2.55Å; F108-T144 HydrophobicContact CE1-CG2 4.01Å; F108-T144 HydrophobicContact CZ-CG2 4.09Å; F108-E149 HydrophobicContact CD1-CB 3.99Å; F108-E149 HydrophobicContact CD1-CG 4.3Å; F108-E149 HydrophobicContact CE1-CB 3.78Å; F108-E149 HydrophobicContact CE1-CG 4.25Å; F108-E149 HydrophobicContact CG-CB 4.47Å; F108-E149 HydrophobicContact CZ-CB 4.07Å
109	V	94.6	Very high	89.4	Confident	51 Å²	51	48.8 Å²	48.8	31%	0.309	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	125.3	177.4	-174.8	0	0	0	0	108.1	V51 Y61 I117 A118	V51-V109 HydrophobicContact CB-CG2 4.45Å; V51-V109 HydrophobicContact CG1-CG2 3.9Å; V51-V109 HydrophobicContact CG2-CG2 3.72Å; Y61-V109 HydrophobicContact CD1-CG1 4.18Å; V109-I117 VanDerWaalsContact CA-O 3.31Å; V109-I117 WeakPolarHBondContact CA-O 3.22Å; V109-A118 HydrophobicContact CG2-CB 3.96Å
110	V	91.8	Very high	90.8	Very high	24 Å²	24	41.3 Å²	41.3	15%	0.145	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	135.2	-177.9	173.8	0	0	0	0	109.4	T112 R116 I117 T152	V110-T112 HydrophobicContact CG1-CG2 4.47Å; V110-R116 WeakPolarHBondContact O-CA 3.46Å; V110-I117 PolarHBondContact N-O 2.82Å; V110-I117 PolarHBondContact O-N 3.23Å; V110-T152 HydrophobicContact CB-CG2 3.7Å; V110-T152 HydrophobicContact CG2-CG2 3.42Å; V110-T152 VanDerWaalsContact CG2-CG2 3.42Å
111	D	90.3	Very high	91.6	Very high	108 Å²	108	38.6 Å²	38.6	58%	0.578	20%	0.2	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	125	167.8	-79.8	-68.8	0	0	0	109.2	R116	D111-R116 HydrophobicContact CB-CG 4.5Å; D111-R116 WeakPolarHBondContact OD1-CD 3.21Å; D111-R116 WeakPolarHBondContact OD1-CG 3.3Å; D111-R116 IonicContact OD1-CZ 3.29Å; D111-R116 IonicContact OD1-NE 2.71Å; D111-R116 PolarHBondContact OD1-NE 3.14Å; D111-R116 IonicContact OD1-NH2 2.95Å; D111-R116 IonicContact OD2-CZ 3.05Å; D111-R116 IonicContact OD2-NE 2.69Å; D111-R116 PolarHBondContact OD2-NE 3.14Å; D111-R116 IonicContact OD2-NH2 3.99Å
112	T	88.9	Confident	92.1	Very high	22 Å²	22	35 Å²	35	14%	0.135	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	172.1	177.2	79	0	0	0	0	110.5	V110 H114 G115 I117 A156 W169	V110-T112 HydrophobicContact CG1-CG2 4.47Å; T112-H114 PolarHBondContact O-N 2.67Å; T112-H114 PolarHBondContact OG1-N 3.4Å; T112-H114 VanDerWaalsContact OG1-N 3.15Å; T112-G115 WeakPolarHBondContact CB-O 3.49Å; T112-G115 PolarHBondContact N-O 3.21Å; T112-G115 PolarHBondContact O-N 2.5Å; T112-G115 VanDerWaalsContact O-N 3.1Å; T112-G115 PolarHBondContact OG1-N 2.83Å; T112-G115 PolarHBondContact OG1-O 3.39Å; T112-I117 HydrophobicContact CG2-CD1 4.02Å; T112-I117 HydrophobicContact CG2-CG1 3.91Å; T112-A156 HydrophobicContact CG2-CB 3.75Å; T112-W169 HydrophobicContact CG2-CH2 4.46Å
113	L	85.5	Confident	92.5	Very high	134 Å²	134	30.8 Å²	30.8	70%	0.702	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-28.2	171.8	-177.7	63.3	0	0	0	112.8
114	H	86.3	Confident	92.7	Very high	26 Å²	26	27 Å²	27	12%	0.12	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	8.6	-174.3	-52.3	-65.2	0	0	0	113.9	T112 E162 P167 W169 R172 F190	T112-H114 PolarHBondContact O-N 2.67Å; T112-H114 PolarHBondContact OG1-N 3.4Å; T112-H114 VanDerWaalsContact OG1-N 3.15Å; H114-E162 IonicContact CE1-OE1 2.82Å; H114-E162 IonicContact NE2-OE1 3.64Å; H114-E162 PolarHBondContact NE2-OE1 3.23Å; H114-P167 HydrophobicContact CB-CB 3.67Å; H114-P167 HydrophobicContact CB-CG 3.82Å; H114-W169 HydrophobicContact CB-CZ2 4.45Å; H114-R172 PolarHBondContact CD2-NH2 2.69Å; H114-R172 PolarHBondContact NE2-NH2 2.71Å; H114-F190 HydrophobicContact CB-CZ 4.47Å; H114-F190 VanDerWaalsContact O-CE2 3.28Å; H114-F190 WeakPolarHBondContact O-CE2 3.31Å; H114-F190 VanDerWaalsContact O-CZ 3.31Å; H114-F190 WeakPolarHBondContact O-CZ 3.44Å
115	G	89.1	Confident	92.9	Very high	30 Å²	30	27.1 Å²	27.1	31%	0.309	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	110	-178.5	-176.3	0	0	0	0	0	113	T112	T112-G115 WeakPolarHBondContact CB-O 3.49Å; T112-G115 PolarHBondContact N-O 3.21Å; T112-G115 PolarHBondContact O-N 2.5Å; T112-G115 VanDerWaalsContact O-N 3.1Å; T112-G115 PolarHBondContact OG1-N 2.83Å; T112-G115 PolarHBondContact OG1-O 3.39Å
116	R	92.8	Very high	92.8	Very high	103 Å²	103	28.4 Å²	28.4	39%	0.389	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	139.4	-178.4	-70.9	-178.3	-173.6	170.3	3.6	112.2	Y61 V110 D111 F190	Y61-R116 HydrophobicContact CD1-CB 4.5Å; Y61-R116 HydrophobicContact CD2-CB 4Å; Y61-R116 HydrophobicContact CE1-CB 4.41Å; Y61-R116 HydrophobicContact CE2-CB 3.92Å; Y61-R116 HydrophobicContact CG-CB 4.32Å; Y61-R116 PolarHBondContact OH-O 2.61Å; Y61-R116 VanDerWaalsContact OH-O 3.06Å; V110-R116 WeakPolarHBondContact O-CA 3.46Å; D111-R116 HydrophobicContact CB-CG 4.5Å; D111-R116 WeakPolarHBondContact OD1-CD 3.21Å; D111-R116 WeakPolarHBondContact OD1-CG 3.3Å; D111-R116 IonicContact OD1-CZ 3.29Å; D111-R116 IonicContact OD1-NE 2.71Å; D111-R116 PolarHBondContact OD1-NE 3.14Å; D111-R116 IonicContact OD1-NH2 2.95Å; D111-R116 IonicContact OD2-CZ 3.05Å; D111-R116 IonicContact OD2-NE 2.69Å; D111-R116 PolarHBondContact OD2-NE 3.14Å; D111-R116 IonicContact OD2-NH2 3.99Å; R116-F190 WeakPolarHBondContact O-CD2 3.21Å
117	I	95.1	Very high	92.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	150.2	162.5	57.8	175.7	0	0	0	110.1	V109 V110 T112 V119 T152 L155 W169 M189 F190	V109-I117 VanDerWaalsContact CA-O 3.31Å; V109-I117 WeakPolarHBondContact CA-O 3.22Å; V110-I117 PolarHBondContact N-O 2.82Å; V110-I117 PolarHBondContact O-N 3.23Å; T112-I117 HydrophobicContact CG2-CD1 4.02Å; T112-I117 HydrophobicContact CG2-CG1 3.91Å; I117-V119 HydrophobicContact CD1-CG2 4.27Å; I117-T152 HydrophobicContact CD1-CG2 3.8Å; I117-T152 HydrophobicContact CG1-CG2 4.06Å; I117-L155 HydrophobicContact CD1-CB 4.11Å; I117-W169 HydrophobicContact CB-CH2 4.49Å; I117-W169 HydrophobicContact CD1-CH2 4.18Å; I117-W169 HydrophobicContact CD1-CZ3 4.33Å; I117-W169 HydrophobicContact CG2-CH2 3.23Å; I117-W169 HydrophobicContact CG2-CZ2 3.45Å; I117-W169 VanDerWaalsContact CG2-CZ2 3.45Å; I117-W169 HydrophobicContact CG2-CZ3 3.9Å; I117-M189 WeakPolarHBondContact CA-O 3.48Å; I117-F190 HydrophobicContact CG2-CB 4.31Å; I117-F190 HydrophobicContact CG2-CD2 3.77Å; I117-F190 HydrophobicContact CG2-CG 4.46Å
118	A	97.3	Very high	92.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.8	163.3	0	0	0	0	0	110	V51 Y61 I89 F108 V109 I188 M189	V51-A118 HydrophobicContact CB-CB 4.31Å; V51-A118 HydrophobicContact CG1-CB 4Å; Y61-A118 HydrophobicContact CD1-CB 4.1Å; Y61-A118 HydrophobicContact CE1-CB 3.81Å; I89-A118 HydrophobicContact CD1-CB 3.78Å; I89-A118 WeakPolarHBondContact CD1-O 3.16Å; I89-A118 HydrophobicContact CG1-CB 4.29Å; F108-A118 CarbonylContact O-C 3.54Å; F108-A118 WeakPolarHBondContact O-CA 3.38Å; V109-A118 HydrophobicContact CG2-CB 3.96Å; A118-I188 CarbonylContact O-C 3.5Å; A118-I188 WeakPolarHBondContact O-CA 3.47Å; A118-M189 HydrophobicContact CB-CB 4.3Å; A118-M189 HydrophobicContact CB-CE 4.1Å; A118-M189 PolarHBondContact N-O 3.41Å; A118-M189 PolarHBondContact O-N 3.39Å
119	V	98.1	Very high	92.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	129.8	-177.5	-175.1	0	0	0	0	110.5	P107 F108 I117 I151 T152 L155 L187 I188	P107-V119 CarbonylContact C-O 3.57Å; P107-V119 WeakPolarHBondContact CA-O 3.44Å; P107-V119 WeakPolarHBondContact CB-O 3.5Å; F108-V119 PolarHBondContact N-O 3.27Å; F108-V119 PolarHBondContact O-N 2.55Å; I117-V119 HydrophobicContact CD1-CG2 4.27Å; V119-I151 HydrophobicContact CG1-CG2 4.19Å; V119-T152 WeakPolarHBondContact CB-OG1 3.25Å; V119-T152 HydrophobicContact CG2-CG2 3.96Å; V119-L155 HydrophobicContact CG2-CD1 4.04Å; V119-L187 WeakPolarHBondContact CA-O 3.24Å; V119-I188 HydrophobicContact CG1-CG1 4.34Å; V119-I188 HydrophobicContact CG2-CG1 4.31Å; V119-I188 HydrophobicContact CG2-CG2 4.35Å
120	A	97.8	Very high	92.2	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	139.5	167.8	0	0	0	0	0	109.3	V14 I89 H91 P107 L186 L187	V14-A120 HydrophobicContact CB-CB 4.47Å; V14-A120 HydrophobicContact CG1-CB 3.86Å; I89-A120 HydrophobicContact CD1-CB 4.15Å; H91-A120 HydrophobicContact CB-CB 4.34Å; P107-A120 HydrophobicContact CB-CB 4.23Å; P107-A120 HydrophobicContact CG-CB 4.16Å; A120-L186 WeakPolarHBondContact O-CA 3.5Å; A120-L187 HydrophobicContact CB-CB 4.4Å; A120-L187 PolarHBondContact N-O 3.12Å; A120-L187 PolarHBondContact O-N 2.88Å
121	H	95.4	Very high	92.3	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.019	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	130.5	-167.8	162.7	-122.2	0	0	0	110.6	H91 Q106 G123 S148 I151 L186	H91-H121 PolarHBondContact CD2-O 2.95Å; H91-H121 PolarHBondContact NE2-O 2.89Å; Q106-H121 PolarHBondContact NE2-O 2.76Å; Q106-H121 PolarHBondContact OE1-O 2.93Å; H121-G123 PolarHBondContact CE1-O 2.89Å; H121-G123 VanDerWaalsContact NE2-C 3.31Å; H121-G123 WeakPolarHBondContact NE2-CA 3.33Å; H121-G123 PolarHBondContact NE2-N 2.86Å; H121-G123 PolarHBondContact NE2-O 2.93Å; H121-S148 WeakPolarHBondContact CB-OG 3.44Å; H121-S148 PolarHBondContact ND1-OG 2.98Å; H121-S148 VanDerWaalsContact ND1-OG 3.1Å; H121-I151 HydrophobicContact CB-CD1 4.35Å; H121-L186 HydrophobicContact CB-CD2 3.55Å; H121-L186 WeakPolarHBondContact CD2-CD2 3.46Å
122	N	95.1	Very high	92.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	120.5	164.9	174.6	27.6	0	0	0	108.9	E11 C12 V14 Y184 S185	E11-N122 PolarHBondContact OE2-OD1 3.41Å; C12-N122 HydrophobicContact CB-CB 4.39Å; C12-N122 WeakPolarHBondContact O-CB 3.48Å; C12-N122 PolarHBondContact O-ND2 3.12Å; C12-N122 PolarHBondContact O-OD1 3.06Å; V14-N122 HydrophobicContact CG1-CB 4.2Å; N122-Y184 CarbonylContact O-C 3.45Å; N122-Y184 VanDerWaalsContact O-CA 3.26Å; N122-Y184 WeakPolarHBondContact O-CA 3.28Å; N122-S185 PolarHBondContact N-O 3.38Å; N122-S185 PolarHBondContact O-N 3.45Å
123	G	92.8	Very high	92.6	Very high	9 Å²	9	39.9 Å²	39.9	9%	0.093	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	139.6	-165.6	-178	0	0	0	0	0	113	H121 S183	H121-G123 PolarHBondContact CE1-O 2.89Å; H121-G123 VanDerWaalsContact NE2-C 3.31Å; H121-G123 WeakPolarHBondContact NE2-CA 3.33Å; H121-G123 PolarHBondContact NE2-N 2.86Å; H121-G123 PolarHBondContact NE2-O 2.93Å; G123-S183 CarbonylContact C-O 3.56Å; G123-S183 VanDerWaalsContact CA-O 3.24Å; G123-S183 WeakPolarHBondContact CA-O 3.33Å
124	E	91.6	Very high	92.9	Very high	30 Å²	30	36.8 Å²	36.8	14%	0.14	18%	0.178	C	C	.	.			trans	-150	137.6	177.5	-175.6	172.3	-167	0	0	110.4	T97 V126 D147 S183 G429	T97-E124 WeakPolarHBondContact CG2-OE1 3.36Å; E124-V126 PolarHBondContact O-N 2.84Å; E124-D147 WeakPolarHBondContact CA-OD2 3.3Å; E124-S183 PolarHBondContact N-O 3.16Å; E124-S183 PolarHBondContact O-N 3.07Å; E124-S183 VanDerWaalsContact O-N 3.1Å; E124-G429 PolarHBondContact OE2-N 3.46Å
125	L	91.6	Very high	93.2	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.026	17%	0.172	C	C	.	.			trans	-86.5	104.6	178.7	-65.3	-171.6	0	0	0	110.4	N127 A128 L131 D147 L150 I151 T180 Y184	L125-N127 PolarHBondContact O-N 3.12Å; L125-A128 HydrophobicContact CB-CB 3.98Å; L125-A128 VanDerWaalsContact O-CB 3.22Å; L125-A128 WeakPolarHBondContact O-CB 3.24Å; L125-A128 PolarHBondContact O-N 3.36Å; L125-L131 HydrophobicContact CD1-CD1 4.04Å; L125-D147 HydrophobicContact CD1-CB 4.37Å; L125-D147 HydrophobicContact CG-CB 4.12Å; L125-D147 PolarHBondContact N-OD2 3.49Å; L125-L150 HydrophobicContact CD1-CD2 4.32Å; L125-I151 HydrophobicContact CD1-CD1 4.09Å; L125-I151 HydrophobicContact CD1-CG1 3.65Å; L125-I151 HydrophobicContact CD2-CD1 4.21Å; L125-I151 HydrophobicContact CD2-CG1 4.44Å; L125-I151 HydrophobicContact CG-CD1 4.15Å; L125-I151 HydrophobicContact CG-CG1 4.25Å; L125-T180 HydrophobicContact CD1-CG2 3.92Å; L125-T180 HydrophobicContact CD2-CG2 3.65Å; L125-T180 HydrophobicContact CG-CG2 4.39Å; L125-Y184 HydrophobicContact CD2-CD1 3.84Å; L125-Y184 HydrophobicContact CD2-CE1 4.28Å
126	V	90.5	Very high	93.4	Very high	27 Å²	27	38.9 Å²	38.9	16%	0.164	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-29.1	175.6	-63.7	0	0	0	0	115	E124 P181 T182 Y427 M428 I500 L502	E124-V126 PolarHBondContact O-N 2.84Å; V126-P181 HydrophobicContact CG2-CG 4.47Å; V126-T182 WeakPolarHBondContact CG2-O 3.49Å; V126-Y427 WeakPolarHBondContact CG1-O 3.17Å; V126-M428 HydrophobicContact CG1-CG 4.15Å; V126-I500 HydrophobicContact CB-CD1 3.77Å; V126-I500 HydrophobicContact CG1-CD1 3.75Å; V126-I500 HydrophobicContact CG2-CD1 3.2Å; V126-L502 HydrophobicContact CB-CD2 4.44Å; V126-L502 HydrophobicContact CG1-CD2 4.28Å
127	N	91.6	Very high	93.4	Very high	20 Å²	20	43.9 Å²	43.9	11%	0.107	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	22.6	-180	64.7	-18.1	0	0	0	112.6	L125 R129 A130 L131 E179	L125-N127 PolarHBondContact O-N 3.12Å; N127-R129 PolarHBondContact O-N 3.02Å; N127-R129 VanDerWaalsContact O-N 3.1Å; N127-A130 PolarHBondContact O-N 3.42Å; N127-L131 PolarHBondContact O-N 3.15Å; N127-L131 VanDerWaalsContact O-N 3.17Å; N127-L131 VanDerWaalsContact OD1-CD1 3.27Å; N127-L131 WeakPolarHBondContact OD1-CD1 3.39Å; N127-E179 PolarHBondContact ND2-O 2.86Å
128	A	91.4	Very high	93.1	Very high	21 Å²	21	49.7 Å²	49.7	17%	0.174	23%	0.227	C	C	.	.	H	α-helix	trans	-49.5	-40.2	-178.8	0	0	0	0	0	113	L125 A130 L131 R132 D147 L150	L125-A128 HydrophobicContact CB-CB 3.98Å; L125-A128 VanDerWaalsContact O-CB 3.22Å; L125-A128 WeakPolarHBondContact O-CB 3.24Å; L125-A128 PolarHBondContact O-N 3.36Å; A128-A130 PolarHBondContact O-N 3.23Å; A128-L131 PolarHBondContact O-N 3.44Å; A128-R132 VanDerWaalsContact O-CB 3.25Å; A128-R132 WeakPolarHBondContact O-CB 3.46Å; A128-R132 PolarHBondContact O-N 2.69Å; A128-D147 WeakPolarHBondContact CB-OD1 3Å; A128-L150 HydrophobicContact CB-CD2 4.21Å; A128-L150 WeakPolarHBondContact O-CD2 3.48Å
129	R	91.2	Very high	92.7	Very high	169 Å²	169	53.1 Å²	53.1	64%	0.638	26%	0.262	S	S	*	.	H	α-helix	trans	-61.2	-43.2	-178.9	-172.6	-178.3	-175.2	-174.5	2.3	112.6	N127 K133 W504	N127-R129 PolarHBondContact O-N 3.02Å; N127-R129 VanDerWaalsContact O-N 3.1Å; R129-K133 WeakPolarHBondContact O-CG 3.39Å; R129-K133 PolarHBondContact O-N 2.95Å; R129-W504 PolarHBondContact NH1-OXT 3.07Å
130	A	92.5	Very high	92.4	Very high	45 Å²	45	54.7 Å²	54.7	37%	0.372	27%	0.272	S	S	.	.	H	α-helix	trans	-69.2	-46.2	178.8	0	0	0	0	0	110.7	N127 A128 R132 K133 K134	N127-A130 PolarHBondContact O-N 3.42Å; A128-A130 PolarHBondContact O-N 3.23Å; A130-R132 VanDerWaalsContact C-N 3.33Å; A130-R132 PolarHBondContact O-N 3.36Å; A130-K133 WeakPolarHBondContact O-CB 3.24Å; A130-K133 PolarHBondContact O-N 2.6Å; A130-K134 PolarHBondContact O-N 2.86Å
131	L	93.6	Very high	92	Very high	9 Å²	9	57.7 Å²	57.7	5%	0.047	30%	0.302	C	S	.	.	H	α-helix	trans	-62	-39.2	178.1	-67.4	173.7	0	0	0	112.3	L125 N127 A128 K133 K134 V135 L150 L154 E179 T180	L125-L131 HydrophobicContact CD1-CD1 4.04Å; N127-L131 PolarHBondContact O-N 3.15Å; N127-L131 VanDerWaalsContact O-N 3.17Å; N127-L131 VanDerWaalsContact OD1-CD1 3.27Å; N127-L131 WeakPolarHBondContact OD1-CD1 3.39Å; A128-L131 PolarHBondContact O-N 3.44Å; L131-K133 PolarHBondContact O-N 3.16Å; L131-K134 WeakPolarHBondContact O-CB 3.36Å; L131-K134 PolarHBondContact O-N 3.19Å; L131-K134 VanDerWaalsContact O-N 3.13Å; L131-V135 PolarHBondContact O-N 2.94Å; L131-L150 HydrophobicContact CB-CD1 4.42Å; L131-L150 HydrophobicContact CB-CD2 3.87Å; L131-L150 HydrophobicContact CB-CG 4.37Å; L131-L154 HydrophobicContact CB-CD1 4.3Å; L131-L154 HydrophobicContact CD1-CD1 4.02Å; L131-L154 HydrophobicContact CD2-CD1 4.26Å; L131-L154 HydrophobicContact CD2-CD2 4.35Å; L131-L154 HydrophobicContact CG-CD1 4.43Å; L131-E179 HydrophobicContact CD2-CB 4.23Å; L131-T180 HydrophobicContact CD1-CG2 3.44Å; L131-T180 VanDerWaalsContact CD1-CG2 3.44Å
132	R	93.2	Very high	91.8	Very high	99 Å²	99	59 Å²	59	37%	0.374	31%	0.309	S	S	.	.	H	α-helix	trans	-59.5	-46.2	175.2	-160.6	177.5	-163.6	-108.9	2.4	111.7	A128 A130 K134 V135 M136 L142 T144 L150	A128-R132 VanDerWaalsContact O-CB 3.25Å; A128-R132 WeakPolarHBondContact O-CB 3.46Å; A128-R132 PolarHBondContact O-N 2.69Å; A130-R132 VanDerWaalsContact C-N 3.33Å; A130-R132 PolarHBondContact O-N 3.36Å; R132-K134 VanDerWaalsContact C-N 3.31Å; R132-K134 PolarHBondContact O-N 3.07Å; R132-V135 PolarHBondContact O-N 3.1Å; R132-M136 HydrophobicContact CG-SD 4.27Å; R132-M136 WeakPolarHBondContact O-CB 2.92Å; R132-M136 VanDerWaalsContact O-CG 3.29Å; R132-M136 WeakPolarHBondContact O-CG 3.07Å; R132-M136 PolarHBondContact O-N 2.91Å; R132-L142 HydrophobicContact CG-CD1 3.39Å; R132-T144 PolarHBondContact NH2-O 3.28Å; R132-T144 VanDerWaalsContact NH2-O 3.16Å; R132-L150 HydrophobicContact CB-CD1 4.46Å; R132-L150 HydrophobicContact CB-CD2 4.36Å
133	K	93.1	Very high	91.5	Very high	106 Å²	106	63.5 Å²	63.5	46%	0.461	34%	0.34	S	S	.	.	H	α-helix	trans	-61.7	-40.4	175.2	-69.4	174.2	-175.6	172.4	0	111.3	R129 A130 L131 R137	R129-K133 WeakPolarHBondContact O-CG 3.39Å; R129-K133 PolarHBondContact O-N 2.95Å; A130-K133 WeakPolarHBondContact O-CB 3.24Å; A130-K133 PolarHBondContact O-N 2.6Å; L131-K133 PolarHBondContact O-N 3.16Å; K133-R137 WeakPolarHBondContact O-CB 3.18Å; K133-R137 VanDerWaalsContact O-CG 3.24Å; K133-R137 WeakPolarHBondContact O-CG 2.91Å; K133-R137 PolarHBondContact O-N 3.45Å
134	K	91.9	Very high	91.3	Very high	70 Å²	70	63.5 Å²	63.5	30%	0.304	34%	0.339	S	S	.	.	H	α-helix	trans	-59.6	-51.9	176.3	179	-179	174.7	178.4	0	111	A130 L131 R132 M136 R137 H138 E179	A130-K134 PolarHBondContact O-N 2.86Å; L131-K134 WeakPolarHBondContact O-CB 3.36Å; L131-K134 PolarHBondContact O-N 3.19Å; L131-K134 VanDerWaalsContact O-N 3.13Å; R132-K134 VanDerWaalsContact C-N 3.31Å; R132-K134 PolarHBondContact O-N 3.07Å; K134-M136 PolarHBondContact O-N 2.73Å; K134-R137 PolarHBondContact O-N 2.96Å; K134-H138 PolarHBondContact O-N 3.45Å; K134-H138 PolarHBondContact O-ND1 2.81Å; K134-E179 IonicContact NZ-OE1 3.06Å; K134-E179 PolarHBondContact NZ-OE1 3.45Å; K134-E179 IonicContact NZ-OE2 3.78Å; K134-E179 PolarHBondContact NZ-OE2 3.43Å
135	V	92.1	Very high	90.9	Very high	0 Å²	0	65 Å²	65	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-60.8	-46.8	179.7	171.1	0	0	0	0	111.3	L131 R132 R137 H138 V140 L142 L150 Q153 L154 L157	L131-V135 PolarHBondContact O-N 2.94Å; R132-V135 PolarHBondContact O-N 3.1Å; V135-R137 VanDerWaalsContact C-N 3.31Å; V135-R137 PolarHBondContact O-N 3.46Å; V135-H138 WeakPolarHBondContact O-CB 3.39Å; V135-H138 PolarHBondContact O-N 3.3Å; V135-V140 HydrophobicContact CG1-CB 3.58Å; V135-V140 HydrophobicContact CG1-CG1 3.57Å; V135-V140 HydrophobicContact CG1-CG2 4.3Å; V135-L142 HydrophobicContact CG1-CD2 4.25Å; V135-L150 HydrophobicContact CB-CD1 4.11Å; V135-L150 HydrophobicContact CG2-CD1 3.68Å; V135-Q153 HydrophobicContact CG1-CB 3.94Å; V135-L154 HydrophobicContact CG2-CD2 3.64Å; V135-L154 HydrophobicContact CG2-CG 3.99Å; V135-L157 HydrophobicContact CG2-CD1 4.29Å
136	M	92.4	Very high	90.6	Very high	100 Å²	100	65.5 Å²	65.5	49%	0.493	36%	0.356	S	S	.	.	H	α-helix	trans	-64	-32.6	178.7	-68.1	179.6	75.7	0	0	113.3	R132 K134 H138 G139 L142	R132-M136 HydrophobicContact CG-SD 4.27Å; R132-M136 WeakPolarHBondContact O-CB 2.92Å; R132-M136 VanDerWaalsContact O-CG 3.29Å; R132-M136 WeakPolarHBondContact O-CG 3.07Å; R132-M136 PolarHBondContact O-N 2.91Å; K134-M136 PolarHBondContact O-N 2.73Å; M136-H138 PolarHBondContact O-N 2.86Å; M136-G139 PolarHBondContact O-N 3.11Å; M136-L142 HydrophobicContact CG-CD1 4.37Å
137	R	92.4	Very high	90.6	Very high	208 Å²	208	64.8 Å²	64.8	79%	0.785	35%	0.352	S	S	*	.	H	α-helix	trans	-66.1	-22.2	174.2	-79.4	172.2	177.4	164.7	-2.1	113.3	K133 K134 V135 G139	K133-R137 WeakPolarHBondContact O-CB 3.18Å; K133-R137 VanDerWaalsContact O-CG 3.24Å; K133-R137 WeakPolarHBondContact O-CG 2.91Å; K133-R137 PolarHBondContact O-N 3.45Å; K134-R137 PolarHBondContact O-N 2.96Å; V135-R137 VanDerWaalsContact C-N 3.31Å; V135-R137 PolarHBondContact O-N 3.46Å; R137-G139 PolarHBondContact O-N 3.2Å
138	H	88.8	Confident	90.5	Very high	122 Å²	122	63.9 Å²	63.9	57%	0.565	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	9	172.5	-67.8	77.9	0	0	0	112.6	K134 V135 M136 V140 L157	K134-H138 PolarHBondContact O-N 3.45Å; K134-H138 PolarHBondContact O-ND1 2.81Å; V135-H138 WeakPolarHBondContact O-CB 3.39Å; V135-H138 PolarHBondContact O-N 3.3Å; M136-H138 PolarHBondContact O-N 2.86Å; H138-V140 VanDerWaalsContact C-N 3.32Å; H138-V140 PolarHBondContact O-N 3.47Å; H138-L157 HydrophobicContact CB-CD2 4.38Å
139	G	90.6	Very high	90.6	Very high	72 Å²	72	63.4 Å²	63.4	74%	0.742	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	9.5	178.3	0	0	0	0	0	114.5	M136 R137	M136-G139 PolarHBondContact O-N 3.11Å; R137-G139 PolarHBondContact O-N 3.2Å
140	V	90.3	Very high	90.7	Very high	33 Å²	33	55.7 Å²	55.7	20%	0.2	31%	0.313	C	S	.	.			trans	-84.3	119	178.5	177	0	0	0	0	109.6	V135 H138 Q153 L157	V135-V140 HydrophobicContact CG1-CB 3.58Å; V135-V140 HydrophobicContact CG1-CG1 3.57Å; V135-V140 HydrophobicContact CG1-CG2 4.3Å; H138-V140 VanDerWaalsContact C-N 3.32Å; H138-V140 PolarHBondContact O-N 3.47Å; V140-Q153 HydrophobicContact CG1-CB 4.23Å; V140-Q153 HydrophobicContact CG1-CG 3.89Å; V140-L157 HydrophobicContact CG2-CD2 4.45Å
141	G	89.7	Confident	90.8	Very high	62 Å²	62	53.6 Å²	53.6	64%	0.639	30%	0.295	S	S	*	.			trans	-78.3	137.4	172	0	0	0	0	0	111.5
142	L	90.9	Very high	90.9	Very high	31 Å²	31	53.2 Å²	53.2	16%	0.162	29%	0.293	C	S	.	.			trans	-107.7	131.2	174.1	-63.5	170.7	0	0	0	109.2	R132 V135 M136 E149 L150 Q153	R132-L142 HydrophobicContact CG-CD1 3.39Å; V135-L142 HydrophobicContact CG1-CD2 4.25Å; M136-L142 HydrophobicContact CG-CD1 4.37Å; L142-E149 HydrophobicContact CD2-CG 3.96Å; L142-L150 HydrophobicContact CD1-CD1 4.34Å; L142-Q153 HydrophobicContact CD2-CB 4.44Å; L142-Q153 HydrophobicContact CD2-CG 3.73Å
143	S	89.2	Confident	90.9	Very high	95 Å²	95	49.9 Å²	49.9	66%	0.664	28%	0.282	S	S	*	.	S	Bend	trans	-88.7	-17.3	-178.1	-51.6	0	0	0	0	112.2	E149	S143-E149 PolarHBondContact N-OE1 3.29Å; S143-E149 PolarHBondContact N-OE2 3.17Å; S143-E149 VanDerWaalsContact N-OE2 3.16Å
144	T	87.9	Confident	90.9	Very high	9 Å²	9	45.3 Å²	45.3	6%	0.055	26%	0.262	C	S	.	.			trans	-132.7	174.6	-173.7	77.1	0	0	0	0	112	Q103 N104 F108 R132 S146 E149	Q103-T144 HydrophobicContact CB-CG2 4.32Å; Q103-T144 HydrophobicContact CG-CG2 4.35Å; Q103-T144 WeakPolarHBondContact O-CG2 3.13Å; N104-T144 VanDerWaalsContact OD1-CB 3.24Å; N104-T144 WeakPolarHBondContact OD1-CB 3.43Å; F108-T144 HydrophobicContact CE1-CG2 4.01Å; F108-T144 HydrophobicContact CZ-CG2 4.09Å; R132-T144 PolarHBondContact NH2-O 3.28Å; R132-T144 VanDerWaalsContact NH2-O 3.16Å; T144-S146 WeakPolarHBondContact OG1-CB 3.28Å; T144-S146 PolarHBondContact OG1-N 3.11Å; T144-S146 VanDerWaalsContact OG1-N 3.11Å; T144-E149 WeakPolarHBondContact CA-OE2 3.29Å; T144-E149 VanDerWaalsContact CB-OE2 3.28Å; T144-E149 WeakPolarHBondContact CB-OE2 3.47Å; T144-E149 PolarHBondContact N-OE2 3.08Å; T144-E149 WeakPolarHBondContact OG1-CB 3.45Å; T144-E149 PolarHBondContact OG1-OE2 3.26Å
145	S	83.2	Confident	91	Very high	63 Å²	63	42 Å²	42	44%	0.441	25%	0.248	S	C	.	.	S	Bend	trans	-100.3	10.2	166.8	66.8	0	0	0	0	112.3	G98	G98-S145 WeakPolarHBondContact CA-OG 3.49Å
146	S	86.9	Confident	90.9	Very high	14 Å²	14	43.1 Å²	43.1	10%	0.098	26%	0.257	C	S	.	.			trans	-80.6	133	-175.2	-179.6	0	0	0	0	111.2	T144 S148 E149 L150	T144-S146 WeakPolarHBondContact OG1-CB 3.28Å; T144-S146 PolarHBondContact OG1-N 3.11Å; T144-S146 VanDerWaalsContact OG1-N 3.11Å; S146-S148 PolarHBondContact O-N 3.33Å; S146-S148 VanDerWaalsContact O-N 3.16Å; S146-S148 PolarHBondContact OG-N 2.98Å; S146-S148 PolarHBondContact OG-OG 2.75Å; S146-E149 PolarHBondContact O-N 2.91Å; S146-E149 VanDerWaalsContact O-N 3.16Å; S146-L150 PolarHBondContact O-N 3.13Å
147	D	89.3	Confident	90.5	Very high	13 Å²	13	40.3 Å²	40.3	7%	0.07	24%	0.244	C	C	.	.	H	α-helix	trans	-55.2	-30.7	170.3	-70.4	-12.4	0	0	0	112.2	E124 L125 A128 E149 L150 I151	E124-D147 WeakPolarHBondContact CA-OD2 3.3Å; L125-D147 HydrophobicContact CD1-CB 4.37Å; L125-D147 HydrophobicContact CG-CB 4.12Å; L125-D147 PolarHBondContact N-OD2 3.49Å; A128-D147 WeakPolarHBondContact CB-OD1 3Å; D147-E149 PolarHBondContact O-N 3.15Å; D147-L150 CarbonylContact O-C 3.28Å; D147-L150 WeakPolarHBondContact O-CB 3.44Å; D147-L150 PolarHBondContact O-N 3.14Å; D147-L150 VanDerWaalsContact O-N 3.13Å; D147-I151 WeakPolarHBondContact O-CB 3.5Å; D147-I151 WeakPolarHBondContact O-CG1 3.47Å; D147-I151 PolarHBondContact O-N 2.93Å
148	S	90.2	Very high	90	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.007	23%	0.231	C	C	.	.	H	α-helix	trans	-68.6	-35.3	-178.2	-46.1	0	0	0	0	112.1	Q106 H121 S146 T152	Q106-S148 VanDerWaalsContact CD-CB 3.44Å; Q106-S148 PolarHBondContact NE2-OG 2.73Å; Q106-S148 PolarHBondContact OE1-OG 2.9Å; H121-S148 WeakPolarHBondContact CB-OG 3.44Å; H121-S148 PolarHBondContact ND1-OG 2.98Å; H121-S148 VanDerWaalsContact ND1-OG 3.1Å; S146-S148 PolarHBondContact O-N 3.33Å; S146-S148 VanDerWaalsContact O-N 3.16Å; S146-S148 PolarHBondContact OG-N 2.98Å; S146-S148 PolarHBondContact OG-OG 2.75Å; S148-T152 WeakPolarHBondContact O-CB 3.25Å; S148-T152 PolarHBondContact O-N 2.76Å; S148-T152 VanDerWaalsContact O-N 3.09Å; S148-T152 PolarHBondContact O-OG1 3.33Å
149	E	92.5	Very high	89.5	Confident	11 Å²	11	28.9 Å²	28.9	5%	0.051	21%	0.206	C	C	.	.	H	α-helix	trans	-65.9	-45.6	169.1	-174	-176.8	-158.1	0	0	110.1	F108 L142 S143 T144 S146 D147 I151 T152 Q153	F108-E149 HydrophobicContact CD1-CB 3.99Å; F108-E149 HydrophobicContact CD1-CG 4.3Å; F108-E149 HydrophobicContact CE1-CB 3.78Å; F108-E149 HydrophobicContact CE1-CG 4.25Å; F108-E149 HydrophobicContact CG-CB 4.47Å; F108-E149 HydrophobicContact CZ-CB 4.07Å; L142-E149 HydrophobicContact CD2-CG 3.96Å; S143-E149 PolarHBondContact N-OE1 3.29Å; S143-E149 PolarHBondContact N-OE2 3.17Å; S143-E149 VanDerWaalsContact N-OE2 3.16Å; T144-E149 WeakPolarHBondContact CA-OE2 3.29Å; T144-E149 VanDerWaalsContact CB-OE2 3.28Å; T144-E149 WeakPolarHBondContact CB-OE2 3.47Å; T144-E149 PolarHBondContact N-OE2 3.08Å; T144-E149 WeakPolarHBondContact OG1-CB 3.45Å; T144-E149 PolarHBondContact OG1-OE2 3.26Å; S146-E149 PolarHBondContact O-N 2.91Å; S146-E149 VanDerWaalsContact O-N 3.16Å; D147-E149 PolarHBondContact O-N 3.15Å; E149-I151 PolarHBondContact O-N 3.33Å; E149-T152 WeakPolarHBondContact O-CB 3.37Å; E149-T152 PolarHBondContact O-N 3.12Å; E149-T152 VanDerWaalsContact O-N 3.14Å; E149-Q153 HydrophobicContact CG-CG 4.44Å; E149-Q153 WeakPolarHBondContact O-CG 3.48Å; E149-Q153 PolarHBondContact O-N 3.16Å
150	L	93.9	Very high	88.6	Confident	7 Å²	7	31 Å²	31	4%	0.037	21%	0.207	C	C	.	.	H	α-helix	trans	-59.2	-46.5	-179.9	-178	59	0	0	0	112.1	L125 A128 L131 R132 V135 L142 S146 D147 T152 Q153 L154	L125-L150 HydrophobicContact CD1-CD2 4.32Å; A128-L150 HydrophobicContact CB-CD2 4.21Å; A128-L150 WeakPolarHBondContact O-CD2 3.48Å; L131-L150 HydrophobicContact CB-CD1 4.42Å; L131-L150 HydrophobicContact CB-CD2 3.87Å; L131-L150 HydrophobicContact CB-CG 4.37Å; R132-L150 HydrophobicContact CB-CD1 4.46Å; R132-L150 HydrophobicContact CB-CD2 4.36Å; V135-L150 HydrophobicContact CB-CD1 4.11Å; V135-L150 HydrophobicContact CG2-CD1 3.68Å; L142-L150 HydrophobicContact CD1-CD1 4.34Å; S146-L150 PolarHBondContact O-N 3.13Å; D147-L150 CarbonylContact O-C 3.28Å; D147-L150 WeakPolarHBondContact O-CB 3.44Å; D147-L150 PolarHBondContact O-N 3.14Å; D147-L150 VanDerWaalsContact O-N 3.13Å; L150-T152 VanDerWaalsContact C-N 3.33Å; L150-T152 PolarHBondContact O-N 2.95Å; L150-Q153 PolarHBondContact O-N 2.6Å; L150-L154 HydrophobicContact CG-CD1 4.22Å; L150-L154 VanDerWaalsContact O-CG 3.3Å; L150-L154 WeakPolarHBondContact O-CG 3.43Å; L150-L154 PolarHBondContact O-N 3.11Å
151	I	95.3	Very high	87.4	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-58.4	-45.6	174.3	-70	165.4	0	0	0	110.4	V119 H121 L125 D147 E149 Q153 L154 L155 L176 L186	V119-I151 HydrophobicContact CG1-CG2 4.19Å; H121-I151 HydrophobicContact CB-CD1 4.35Å; L125-I151 HydrophobicContact CD1-CD1 4.09Å; L125-I151 HydrophobicContact CD1-CG1 3.65Å; L125-I151 HydrophobicContact CD2-CD1 4.21Å; L125-I151 HydrophobicContact CD2-CG1 4.44Å; L125-I151 HydrophobicContact CG-CD1 4.15Å; L125-I151 HydrophobicContact CG-CG1 4.25Å; D147-I151 WeakPolarHBondContact O-CB 3.5Å; D147-I151 WeakPolarHBondContact O-CG1 3.47Å; D147-I151 PolarHBondContact O-N 2.93Å; E149-I151 PolarHBondContact O-N 3.33Å; I151-Q153 VanDerWaalsContact C-N 3.31Å; I151-Q153 PolarHBondContact O-N 2.78Å; I151-L154 PolarHBondContact O-N 3.45Å; I151-L155 HydrophobicContact CG2-CD1 4.04Å; I151-L155 WeakPolarHBondContact O-CG 3.22Å; I151-L155 PolarHBondContact O-N 3.23Å; I151-L176 HydrophobicContact CG2-CD1 4.35Å; I151-L176 HydrophobicContact CG2-CD2 3.83Å; I151-L186 HydrophobicContact CD1-CD2 4Å; I151-L186 HydrophobicContact CG2-CD1 4.08Å; I151-L186 HydrophobicContact CG2-CD2 4.3Å
152	T	94.6	Very high	86.4	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.8	-41.6	179.3	-52.8	0	0	0	0	111.2	V110 I117 V119 S148 E149 L150 L155 A156	V110-T152 HydrophobicContact CB-CG2 3.7Å; V110-T152 HydrophobicContact CG2-CG2 3.42Å; V110-T152 VanDerWaalsContact CG2-CG2 3.42Å; I117-T152 HydrophobicContact CD1-CG2 3.8Å; I117-T152 HydrophobicContact CG1-CG2 4.06Å; V119-T152 WeakPolarHBondContact CB-OG1 3.25Å; V119-T152 HydrophobicContact CG2-CG2 3.96Å; S148-T152 WeakPolarHBondContact O-CB 3.25Å; S148-T152 PolarHBondContact O-N 2.76Å; S148-T152 VanDerWaalsContact O-N 3.09Å; S148-T152 PolarHBondContact O-OG1 3.33Å; E149-T152 WeakPolarHBondContact O-CB 3.37Å; E149-T152 PolarHBondContact O-N 3.12Å; E149-T152 VanDerWaalsContact O-N 3.14Å; L150-T152 VanDerWaalsContact C-N 3.33Å; L150-T152 PolarHBondContact O-N 2.95Å; T152-L155 PolarHBondContact O-N 2.91Å; T152-A156 PolarHBondContact O-N 2.73Å; T152-A156 VanDerWaalsContact O-N 3.15Å
153	Q	94	Very high	84.9	Confident	29 Å²	29	41 Å²	41	14%	0.136	24%	0.235	C	C	.	.	H	α-helix	trans	-69.2	-39.6	176.6	-64.3	-57.5	-23.6	0	0	112.3	V135 V140 L142 E149 L150 I151 L155 A156 L157	V135-Q153 HydrophobicContact CG1-CB 3.94Å; V140-Q153 HydrophobicContact CG1-CB 4.23Å; V140-Q153 HydrophobicContact CG1-CG 3.89Å; L142-Q153 HydrophobicContact CD2-CB 4.44Å; L142-Q153 HydrophobicContact CD2-CG 3.73Å; E149-Q153 HydrophobicContact CG-CG 4.44Å; E149-Q153 WeakPolarHBondContact O-CG 3.48Å; E149-Q153 PolarHBondContact O-N 3.16Å; L150-Q153 PolarHBondContact O-N 2.6Å; I151-Q153 VanDerWaalsContact C-N 3.31Å; I151-Q153 PolarHBondContact O-N 2.78Å; Q153-L155 VanDerWaalsContact C-N 3.3Å; Q153-L155 PolarHBondContact O-N 3.49Å; Q153-A156 WeakPolarHBondContact O-CB 3.39Å; Q153-A156 PolarHBondContact O-N 3.18Å; Q153-A156 VanDerWaalsContact O-N 3.1Å; Q153-L157 WeakPolarHBondContact O-CG 3.48Å; Q153-L157 PolarHBondContact O-N 3.26Å; Q153-L157 VanDerWaalsContact O-N 3.14Å
154	L	93.6	Very high	83.6	Confident	10 Å²	10	42.5 Å²	42.5	5%	0.052	24%	0.235	C	C	.	.	H	α-helix	trans	-60.4	-39.9	174.9	-73.4	167.5	0	0	0	111.9	L131 V135 L150 I151 A156 L157 L176	L131-L154 HydrophobicContact CB-CD1 4.3Å; L131-L154 HydrophobicContact CD1-CD1 4.02Å; L131-L154 HydrophobicContact CD2-CD1 4.26Å; L131-L154 HydrophobicContact CD2-CD2 4.35Å; L131-L154 HydrophobicContact CG-CD1 4.43Å; V135-L154 HydrophobicContact CG2-CD2 3.64Å; V135-L154 HydrophobicContact CG2-CG 3.99Å; L150-L154 HydrophobicContact CG-CD1 4.22Å; L150-L154 VanDerWaalsContact O-CG 3.3Å; L150-L154 WeakPolarHBondContact O-CG 3.43Å; L150-L154 PolarHBondContact O-N 3.11Å; I151-L154 PolarHBondContact O-N 3.45Å; L154-A156 VanDerWaalsContact C-N 3.3Å; L154-A156 PolarHBondContact O-N 3.41Å; L154-L157 HydrophobicContact CD2-CD1 4.42Å; L154-L157 PolarHBondContact O-N 3.18Å; L154-L176 HydrophobicContact CB-CD1 3.88Å; L154-L176 HydrophobicContact CD1-CD1 3.92Å
155	L	93.3	Very high	82.6	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-66.8	-30.7	174.6	-74.3	167	0	0	0	112.9	I117 V119 I151 T152 Q153 W169 R172 I173 L176 I188	I117-L155 HydrophobicContact CD1-CB 4.11Å; V119-L155 HydrophobicContact CG2-CD1 4.04Å; I151-L155 HydrophobicContact CG2-CD1 4.04Å; I151-L155 WeakPolarHBondContact O-CG 3.22Å; I151-L155 PolarHBondContact O-N 3.23Å; T152-L155 PolarHBondContact O-N 2.91Å; Q153-L155 VanDerWaalsContact C-N 3.3Å; Q153-L155 PolarHBondContact O-N 3.49Å; L155-W169 HydrophobicContact CB-CZ3 4.38Å; L155-R172 PolarHBondContact O-NH1 3.29Å; L155-R172 VanDerWaalsContact O-NH1 3.08Å; L155-I173 HydrophobicContact CD2-CG1 4.01Å; L155-L176 HydrophobicContact CD1-CD2 4.21Å; L155-L176 HydrophobicContact CD2-CB 4.13Å; L155-L176 HydrophobicContact CD2-CD2 3.86Å; L155-L176 HydrophobicContact CG-CD2 3.96Å; L155-I188 HydrophobicContact CD1-CD1 3.64Å; L155-I188 HydrophobicContact CD1-CG1 4.04Å; L155-I188 HydrophobicContact CD2-CD1 4.29Å
156	A	89.8	Confident	81.9	Confident	24 Å²	24	50.8 Å²	50.8	20%	0.198	28%	0.278	C	S	.	.	H	α-helix	trans	-73.9	-26.4	177.3	0	0	0	0	0	112.6	T112 T152 Q153 L154 R172	T112-A156 HydrophobicContact CG2-CB 3.75Å; T152-A156 PolarHBondContact O-N 2.73Å; T152-A156 VanDerWaalsContact O-N 3.15Å; Q153-A156 WeakPolarHBondContact O-CB 3.39Å; Q153-A156 PolarHBondContact O-N 3.18Å; Q153-A156 VanDerWaalsContact O-N 3.1Å; L154-A156 VanDerWaalsContact C-N 3.3Å; L154-A156 PolarHBondContact O-N 3.41Å; A156-R172 PolarHBondContact O-NH1 3.46Å; A156-R172 VanDerWaalsContact O-NH1 3.09Å
157	L	85.3	Confident	81.3	Confident	41 Å²	41	52.3 Å²	52.3	22%	0.215	29%	0.288	C	S	.	.	S	Bend	trans	-66.6	136.5	175	-65.2	178.7	0	0	0	111	V135 H138 V140 Q153 L154 P159 R172	V135-L157 HydrophobicContact CG2-CD1 4.29Å; H138-L157 HydrophobicContact CB-CD2 4.38Å; V140-L157 HydrophobicContact CG2-CD2 4.45Å; Q153-L157 WeakPolarHBondContact O-CG 3.48Å; Q153-L157 PolarHBondContact O-N 3.26Å; Q153-L157 VanDerWaalsContact O-N 3.14Å; L154-L157 HydrophobicContact CD2-CD1 4.42Å; L154-L157 PolarHBondContact O-N 3.18Å; L157-P159 WeakPolarHBondContact O-CD 3.33Å; L157-R172 PolarHBondContact O-NH1 2.9Å
158	T	80.4	Confident	81.2	Confident	83 Å²	83	55.4 Å²	55.4	51%	0.509	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-67.1	120.7	173.4	-53.8	0	0	0	0	109.4	E162	T158-E162 HydrophobicContact CG2-CB 4.01Å; T158-E162 HydrophobicContact CG2-CG 4.32Å
159	P	78.1	Confident	81.2	Confident	6 Å²	6	55.7 Å²	55.7	4%	0.039	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-72.8	154.8	179.8	31.6	-32.9	0	0	0	109.6	L157 M161 E162 R172 N175	L157-P159 WeakPolarHBondContact O-CD 3.33Å; P159-M161 PolarHBondContact O-N 3.01Å; P159-E162 WeakPolarHBondContact CD-OE2 3.49Å; P159-E162 HydrophobicContact CG-CB 3.76Å; P159-E162 PolarHBondContact O-N 3.48Å; P159-E162 VanDerWaalsContact O-N 3.1Å; P159-R172 HydrophobicContact CG-CG 3.78Å; P159-N175 HydrophobicContact CB-CB 3.82Å
160	P	72.8	Confident	81.2	Confident	118 Å²	118	56.7 Å²	56.7	77%	0.766	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-23.8	179.8	-25.2	34.2	0	0	0	114.6
161	M	65.4	Low	81.1	Confident	120 Å²	120	57 Å²	57	59%	0.591	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-5	-177.1	-60.8	-175.7	-72.9	0	0	114	P159 N175	P159-M161 PolarHBondContact O-N 3.01Å; M161-N175 HydrophobicContact CE-CB 4.5Å
162	E	68.2	Low	81	Confident	24 Å²	24	57.1 Å²	57.1	11%	0.112	32%	0.316	C	S	.	.			trans	-93.4	102.5	-178.8	-172.1	168.8	153.8	0	0	109.9	H114 T158 P159 R172	H114-E162 IonicContact CE1-OE1 2.82Å; H114-E162 IonicContact NE2-OE1 3.64Å; H114-E162 PolarHBondContact NE2-OE1 3.23Å; T158-E162 HydrophobicContact CG2-CB 4.01Å; T158-E162 HydrophobicContact CG2-CG 4.32Å; P159-E162 WeakPolarHBondContact CD-OE2 3.49Å; P159-E162 HydrophobicContact CG-CB 3.76Å; P159-E162 PolarHBondContact O-N 3.48Å; P159-E162 VanDerWaalsContact O-N 3.1Å; E162-R172 IonicContact OE1-CZ 2.65Å; E162-R172 IonicContact OE1-NE 3.07Å; E162-R172 PolarHBondContact OE1-NE 3.28Å; E162-R172 IonicContact OE1-NH2 3.3Å; E162-R172 PolarHBondContact OE1-NH2 3.13Å; E162-R172 IonicContact OE2-CZ 2.7Å; E162-R172 VanDerWaalsContact OE2-CZ 3.23Å; E162-R172 IonicContact OE2-NE 2.73Å; E162-R172 PolarHBondContact OE2-NE 3.05Å; E162-R172 IonicContact OE2-NH2 3.89Å; E162-R172 PolarHBondContact OE2-NH2 2.96Å
163	E	58.9	Low	81	Confident	190 Å²	190	57.1 Å²	57.1	89%	0.888	32%	0.316	S	S	*	.			trans	-91.1	-11.3	-175.6	-62.3	-175.7	171.8	0	0	113.8
164	L	62.8	Low	81	Confident	128 Å²	128	59.3 Å²	59.3	67%	0.67	33%	0.325	S	S	*	.	S	Bend	trans	-123.8	155.4	-172.4	-66.2	171.3	0	0	0	112	T166	L164-T166 PolarHBondContact O-N 3.43Å
165	D	65.4	Low	81	Confident	153 Å²	153	60.2 Å²	60.2	82%	0.818	33%	0.329	S	S	*	.	S	Bend	trans	-69	6.4	176.1	-77	-28.2	0	0	0	114.6
166	T	68.4	Low	81.1	Confident	93 Å²	93	60.3 Å²	60.3	57%	0.571	33%	0.33	S	S	*	.	S	Bend	trans	-97.1	130.3	177.1	51.7	0	0	0	0	111	L164 D168	L164-T166 PolarHBondContact O-N 3.43Å; T166-D168 PolarHBondContact O-N 3.46Å; T166-D168 VanDerWaalsContact O-N 3.16Å
167	P	74.8	Confident	81.4	Confident	46 Å²	46	59.3 Å²	59.3	30%	0.299	32%	0.321	S	S	.	.			trans	-64.3	119.4	-179.2	25.1	-32.6	0	0	0	111.4	H114 F190	H114-P167 HydrophobicContact CB-CB 3.67Å; H114-P167 HydrophobicContact CB-CG 3.82Å; P167-F190 HydrophobicContact CG-CZ 4.44Å
168	D	87.9	Confident	81.7	Confident	78 Å²	78	62.4 Å²	62.4	42%	0.417	34%	0.342	S	S	.	.			trans	-98.4	87.2	161.3	-171.5	-15.8	0	0	0	109.6	T166 V170 A171 R172	T166-D168 PolarHBondContact O-N 3.46Å; T166-D168 VanDerWaalsContact O-N 3.16Å; D168-V170 PolarHBondContact O-N 3.29Å; D168-V170 WeakPolarHBondContact OD1-CB 3.46Å; D168-V170 PolarHBondContact OD1-N 3.16Å; D168-A171 HydrophobicContact CB-CB 3.82Å; D168-A171 PolarHBondContact O-N 3.16Å; D168-A171 PolarHBondContact OD1-N 3.04Å; D168-A171 WeakPolarHBondContact OD2-CB 3.44Å; D168-R172 WeakPolarHBondContact O-CG 3.34Å; D168-R172 PolarHBondContact O-N 3.44Å
169	W	90.8	Very high	82.2	Confident	7 Å²	7	60.3 Å²	60.3	3%	0.027	33%	0.326	C	S	.	.	H	α-helix	trans	-62.7	-29.2	178.2	-74.6	111.4	0	0	0	113	T112 H114 I117 L155 R172 I173 F190 Y195	T112-W169 HydrophobicContact CG2-CH2 4.46Å; H114-W169 HydrophobicContact CB-CZ2 4.45Å; I117-W169 HydrophobicContact CB-CH2 4.49Å; I117-W169 HydrophobicContact CD1-CH2 4.18Å; I117-W169 HydrophobicContact CD1-CZ3 4.33Å; I117-W169 HydrophobicContact CG2-CH2 3.23Å; I117-W169 HydrophobicContact CG2-CZ2 3.45Å; I117-W169 VanDerWaalsContact CG2-CZ2 3.45Å; I117-W169 HydrophobicContact CG2-CZ3 3.9Å; L155-W169 HydrophobicContact CB-CZ3 4.38Å; W169-R172 HydrophobicContact CE3-CB 4.29Å; W169-I173 WeakPolarHBondContact O-CB 3.4Å; W169-I173 WeakPolarHBondContact O-CD1 3.36Å; W169-I173 WeakPolarHBondContact O-CG1 3.24Å; W169-I173 PolarHBondContact O-N 3.48Å; W169-F190 AromaticContact CD1-CD1 3.46Å; W169-F190 VanDerWaalsContact CD1-CD1 3.46Å; W169-F190 AromaticContact CD1-CE1 3.56Å; W169-F190 AromaticContact CD1-CG 3.96Å; W169-F190 AromaticContact CE2-CD2 3.68Å; W169-F190 AromaticContact CE2-CE2 3.78Å; W169-F190 AromaticContact CE2-CG 3.78Å; W169-F190 AromaticContact CE2-CZ 3.97Å; W169-F190 HydrophobicContact CG-CD1 4.48Å; W169-F190 AromaticContact CZ2-CD2 3.62Å; W169-F190 HydrophobicContact CZ2-CD2 3.62Å; W169-F190 AromaticContact CZ2-CE2 3.63Å; W169-F190 HydrophobicContact CZ2-CE2 3.63Å; W169-F190 HydrophobicContact CZ2-CG 4.18Å; W169-F190 HydrophobicContact CZ2-CZ 4.21Å; W169-F190 AromaticContact NE1-CD1 3.09Å; W169-F190 AromaticContact NE1-CD2 3.49Å; W169-F190 AromaticContact NE1-CE1 3Å; W169-F190 AromaticContact NE1-CE2 3.41Å; W169-F190 AromaticContact NE1-CG 3.31Å; W169-F190 VanDerWaalsContact NE1-CG 3.31Å; W169-F190 AromaticContact NE1-CZ 3.14Å; W169-Y195 HydrophobicContact CB-CE2 3.97Å; W169-Y195 HydrophobicContact CG-CE2 4.29Å
170	V	92.1	Very high	82.9	Confident	31 Å²	31	60.1 Å²	60.1	19%	0.188	33%	0.325	C	S	.	.	H	α-helix	trans	-69.8	-43.9	176.6	-178.8	0	0	0	0	109.6	D168 I173 K174 I255 L266	D168-V170 PolarHBondContact O-N 3.29Å; D168-V170 WeakPolarHBondContact OD1-CB 3.46Å; D168-V170 PolarHBondContact OD1-N 3.16Å; V170-I173 PolarHBondContact O-N 2.97Å; V170-K174 HydrophobicContact CG1-CD 4.3Å; V170-K174 WeakPolarHBondContact O-CB 3.32Å; V170-K174 VanDerWaalsContact O-CG 3.26Å; V170-K174 WeakPolarHBondContact O-CG 3.49Å; V170-K174 PolarHBondContact O-N 3.44Å; V170-I255 HydrophobicContact CG1-CD1 4.26Å; V170-L266 HydrophobicContact CG2-CB 4.29Å; V170-L266 HydrophobicContact CG2-CD1 3.53Å
171	A	90.8	Very high	83.5	Confident	13 Å²	13	56.5 Å²	56.5	11%	0.107	30%	0.301	C	S	.	.	H	α-helix	trans	-62.9	-41.4	174.7	0	0	0	0	0	112.2	D168 K174 N175	D168-A171 HydrophobicContact CB-CB 3.82Å; D168-A171 PolarHBondContact O-N 3.16Å; D168-A171 PolarHBondContact OD1-N 3.04Å; D168-A171 WeakPolarHBondContact OD2-CB 3.44Å; A171-K174 PolarHBondContact O-N 3.32Å; A171-N175 WeakPolarHBondContact O-CB 3.27Å; A171-N175 PolarHBondContact O-N 3.27Å
172	R	93.1	Very high	84.8	Confident	5 Å²	5	50.8 Å²	50.8	2%	0.019	27%	0.273	C	S	.	.	H	α-helix	trans	-61	-46.2	174.6	-73.7	171.4	179.3	-97.4	-3.5	112.4	H114 L155 A156 L157 P159 E162 D168 W169 N175 L176	H114-R172 PolarHBondContact CD2-NH2 2.69Å; H114-R172 PolarHBondContact NE2-NH2 2.71Å; L155-R172 PolarHBondContact O-NH1 3.29Å; L155-R172 VanDerWaalsContact O-NH1 3.08Å; A156-R172 PolarHBondContact O-NH1 3.46Å; A156-R172 VanDerWaalsContact O-NH1 3.09Å; L157-R172 PolarHBondContact O-NH1 2.9Å; P159-R172 HydrophobicContact CG-CG 3.78Å; E162-R172 IonicContact OE1-CZ 2.65Å; E162-R172 IonicContact OE1-NE 3.07Å; E162-R172 PolarHBondContact OE1-NE 3.28Å; E162-R172 IonicContact OE1-NH2 3.3Å; E162-R172 PolarHBondContact OE1-NH2 3.13Å; E162-R172 IonicContact OE2-CZ 2.7Å; E162-R172 VanDerWaalsContact OE2-CZ 3.23Å; E162-R172 IonicContact OE2-NE 2.73Å; E162-R172 PolarHBondContact OE2-NE 3.05Å; E162-R172 IonicContact OE2-NH2 3.89Å; E162-R172 PolarHBondContact OE2-NH2 2.96Å; D168-R172 WeakPolarHBondContact O-CG 3.34Å; D168-R172 PolarHBondContact O-N 3.44Å; W169-R172 HydrophobicContact CE3-CB 4.29Å; R172-N175 PolarHBondContact O-N 3.02Å; R172-L176 PolarHBondContact O-N 3.24Å
173	I	95.6	Very high	86	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.6	-43.6	176.6	-67.7	164.5	0	0	0	110.2	L155 W169 V170 N175 L176 M177 I188 Y195 V197 I255	L155-I173 HydrophobicContact CD2-CG1 4.01Å; W169-I173 WeakPolarHBondContact O-CB 3.4Å; W169-I173 WeakPolarHBondContact O-CD1 3.36Å; W169-I173 WeakPolarHBondContact O-CG1 3.24Å; W169-I173 PolarHBondContact O-N 3.48Å; V170-I173 PolarHBondContact O-N 2.97Å; I173-N175 VanDerWaalsContact C-N 3.34Å; I173-N175 PolarHBondContact O-N 2.94Å; I173-L176 WeakPolarHBondContact O-CB 3.45Å; I173-L176 PolarHBondContact O-N 2.98Å; I173-M177 HydrophobicContact CG2-CG 4.34Å; I173-M177 HydrophobicContact CG2-SD 3.9Å; I173-M177 VanDerWaalsContact O-CG 3.23Å; I173-M177 WeakPolarHBondContact O-CG 3.39Å; I173-M177 PolarHBondContact O-N 2.89Å; I173-I188 HydrophobicContact CD1-CD1 3.91Å; I173-I188 HydrophobicContact CG1-CD1 3.78Å; I173-Y195 HydrophobicContact CD1-CD1 4.2Å; I173-Y195 HydrophobicContact CD1-CD2 4.17Å; I173-Y195 HydrophobicContact CD1-CG 3.82Å; I173-V197 HydrophobicContact CD1-CG2 4.3Å; I173-V197 HydrophobicContact CG2-CB 4.48Å; I173-V197 HydrophobicContact CG2-CG1 3.9Å; I173-V197 HydrophobicContact CG2-CG2 3.75Å; I173-I255 HydrophobicContact CB-CD1 4.04Å; I173-I255 HydrophobicContact CD1-CG2 4.14Å; I173-I255 HydrophobicContact CG2-CD1 3.52Å; I173-I255 HydrophobicContact CG2-CG1 3.74Å; I173-I255 HydrophobicContact CG2-CG2 4.27Å
174	K	94.3	Very high	87.7	Confident	75 Å²	75	40.6 Å²	40.6	33%	0.326	23%	0.226	S	C	.	.	H	α-helix	trans	-58.4	-45.5	174.6	-76.2	176.9	174.9	-177	0	112	V170 A171 M177 T178 I255 S267 V269	V170-K174 HydrophobicContact CG1-CD 4.3Å; V170-K174 WeakPolarHBondContact O-CB 3.32Å; V170-K174 VanDerWaalsContact O-CG 3.26Å; V170-K174 WeakPolarHBondContact O-CG 3.49Å; V170-K174 PolarHBondContact O-N 3.44Å; A171-K174 PolarHBondContact O-N 3.32Å; K174-M177 PolarHBondContact O-N 3.46Å; K174-M177 VanDerWaalsContact O-N 3.14Å; K174-T178 PolarHBondContact O-N 3.49Å; K174-T178 PolarHBondContact O-OG1 3.44Å; K174-T178 VanDerWaalsContact O-OG1 3.1Å; K174-I255 HydrophobicContact CG-CD1 3.78Å; K174-S267 VanDerWaalsContact CE-CB 3.41Å; K174-S267 WeakPolarHBondContact CE-OG 3.26Å; K174-S267 PolarHBondContact NZ-OG 3.19Å; K174-V269 HydrophobicContact CB-CG2 4.5Å; K174-V269 HydrophobicContact CG-CG2 3.9Å
175	N	93.3	Very high	89.4	Confident	28 Å²	28	34.5 Å²	34.5	15%	0.15	19%	0.194	C	C	.	.	H	α-helix	trans	-61.2	-45.3	177.2	-174.2	84.1	0	0	0	111.3	P159 M161 A171 R172 I173 M177 T178 E179	P159-N175 HydrophobicContact CB-CB 3.82Å; M161-N175 HydrophobicContact CE-CB 4.5Å; A171-N175 WeakPolarHBondContact O-CB 3.27Å; A171-N175 PolarHBondContact O-N 3.27Å; R172-N175 PolarHBondContact O-N 3.02Å; I173-N175 VanDerWaalsContact C-N 3.34Å; I173-N175 PolarHBondContact O-N 2.94Å; N175-M177 VanDerWaalsContact C-N 3.29Å; N175-M177 PolarHBondContact O-N 3Å; N175-T178 PolarHBondContact O-N 3.36Å; N175-E179 PolarHBondContact ND2-OE1 3.49Å; N175-E179 WeakPolarHBondContact O-CG 3.45Å; N175-E179 PolarHBondContact O-N 2.85Å
176	L	95.3	Very high	91	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.016	16%	0.155	C	C	.	.	H	α-helix	trans	-53.9	-48.8	172.1	174.4	72.9	0	0	0	110.4	I151 L154 L155 R172 I173 T178 E179 T180 L186	I151-L176 HydrophobicContact CG2-CD1 4.35Å; I151-L176 HydrophobicContact CG2-CD2 3.83Å; L154-L176 HydrophobicContact CB-CD1 3.88Å; L154-L176 HydrophobicContact CD1-CD1 3.92Å; L155-L176 HydrophobicContact CD1-CD2 4.21Å; L155-L176 HydrophobicContact CD2-CB 4.13Å; L155-L176 HydrophobicContact CD2-CD2 3.86Å; L155-L176 HydrophobicContact CG-CD2 3.96Å; R172-L176 PolarHBondContact O-N 3.24Å; I173-L176 WeakPolarHBondContact O-CB 3.45Å; I173-L176 PolarHBondContact O-N 2.98Å; L176-T178 VanDerWaalsContact C-N 3.3Å; L176-T178 PolarHBondContact O-N 3.5Å; L176-E179 CarbonylContact O-C 3.59Å; L176-E179 PolarHBondContact O-N 3.33Å; L176-E179 VanDerWaalsContact O-N 3.09Å; L176-T180 HydrophobicContact CD1-CG2 4.08Å; L176-T180 WeakPolarHBondContact O-CB 3.3Å; L176-T180 PolarHBondContact O-N 3.42Å; L176-T180 PolarHBondContact O-OG1 3.25Å; L176-L186 HydrophobicContact CD2-CD1 3.69Å
177	M	95.2	Very high	92.4	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.015	13%	0.128	C	C	.	.	H	α-helix	trans	-65.5	-31.1	-178	-64.6	172.1	79.4	0	0	113.7	I173 K174 N175 T180 Y184 V197 R198 P200 G253 I255 V269	I173-M177 HydrophobicContact CG2-CG 4.34Å; I173-M177 HydrophobicContact CG2-SD 3.9Å; I173-M177 VanDerWaalsContact O-CG 3.23Å; I173-M177 WeakPolarHBondContact O-CG 3.39Å; I173-M177 PolarHBondContact O-N 2.89Å; K174-M177 PolarHBondContact O-N 3.46Å; K174-M177 VanDerWaalsContact O-N 3.14Å; N175-M177 VanDerWaalsContact C-N 3.29Å; N175-M177 PolarHBondContact O-N 3Å; M177-T180 CarbonylContact O-C 3.51Å; M177-Y184 VanDerWaalsContact CA-OH 3.26Å; M177-Y184 WeakPolarHBondContact CA-OH 3.31Å; M177-Y184 HydrophobicContact CG-CE2 4.35Å; M177-Y184 WeakPolarHBondContact CG-OH 3.49Å; M177-V197 HydrophobicContact CE-CG1 4Å; M177-V197 HydrophobicContact CG-CG1 4.25Å; M177-V197 HydrophobicContact SD-CG1 3.63Å; M177-R198 VanDerWaalsContact CE-O 3.24Å; M177-R198 WeakPolarHBondContact CE-O 3.22Å; M177-P200 HydrophobicContact CE-CG 4.24Å; M177-G253 WeakPolarHBondContact CE-O 3.43Å; M177-I255 HydrophobicContact SD-CD1 3.99Å; M177-I255 HydrophobicContact SD-CG1 3.85Å; M177-V269 HydrophobicContact CB-CG1 4.38Å; M177-V269 HydrophobicContact CB-CG2 4.35Å; M177-V269 HydrophobicContact CE-CB 3.88Å; M177-V269 HydrophobicContact CE-CG2 3.97Å; M177-V269 HydrophobicContact SD-CB 4.26Å; M177-V269 HydrophobicContact SD-CG2 3.68Å
178	T	91.9	Very high	93.5	Very high	106 Å²	106	20.6 Å²	20.6	65%	0.65	11%	0.114	S	C	*	.	H	α-helix	trans	-68.9	-37.9	171.8	-58.1	0	0	0	0	111.9	K174 N175 L176	K174-T178 PolarHBondContact O-N 3.49Å; K174-T178 PolarHBondContact O-OG1 3.44Å; K174-T178 VanDerWaalsContact O-OG1 3.1Å; N175-T178 PolarHBondContact O-N 3.36Å; L176-T178 VanDerWaalsContact C-N 3.3Å; L176-T178 PolarHBondContact O-N 3.5Å
179	E	92.1	Very high	94	Very high	40 Å²	40	16.9 Å²	16.9	19%	0.187	9%	0.094	C	C	.	.	H	α-helix	trans	-81.6	-19.2	179.6	-67.6	-173.2	-158.4	0	0	113.7	N127 L131 K134 N175 L176	N127-E179 PolarHBondContact ND2-O 2.86Å; L131-E179 HydrophobicContact CD2-CB 4.23Å; K134-E179 IonicContact NZ-OE1 3.06Å; K134-E179 PolarHBondContact NZ-OE1 3.45Å; K134-E179 IonicContact NZ-OE2 3.78Å; K134-E179 PolarHBondContact NZ-OE2 3.43Å; N175-E179 PolarHBondContact ND2-OE1 3.49Å; N175-E179 WeakPolarHBondContact O-CG 3.45Å; N175-E179 PolarHBondContact O-N 2.85Å; L176-E179 CarbonylContact O-C 3.59Å; L176-E179 PolarHBondContact O-N 3.33Å; L176-E179 VanDerWaalsContact O-N 3.09Å
180	T	92.9	Very high	94.2	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.006	10%	0.095	C	C	.	.			trans	-126	90.1	-178.3	56.2	0	0	0	0	108.9	L125 L131 L176 M177 T182 Y184	L125-T180 HydrophobicContact CD1-CG2 3.92Å; L125-T180 HydrophobicContact CD2-CG2 3.65Å; L125-T180 HydrophobicContact CG-CG2 4.39Å; L131-T180 HydrophobicContact CD1-CG2 3.44Å; L131-T180 VanDerWaalsContact CD1-CG2 3.44Å; L176-T180 HydrophobicContact CD1-CG2 4.08Å; L176-T180 WeakPolarHBondContact O-CB 3.3Å; L176-T180 PolarHBondContact O-N 3.42Å; L176-T180 PolarHBondContact O-OG1 3.25Å; M177-T180 CarbonylContact O-C 3.51Å; T180-T182 PolarHBondContact O-N 3.28Å; T180-Y184 WeakPolarHBondContact O-CE1 3.43Å; T180-Y184 PolarHBondContact O-OH 2.95Å; T180-Y184 VanDerWaalsContact OG1-CE1 3.23Å; T180-Y184 WeakPolarHBondContact OG1-CE1 3.47Å; T180-Y184 PolarHBondContact OG1-OH 3.44Å
181	P	85.1	Confident	94.3	Very high	42 Å²	42	19.3 Å²	19.3	27%	0.273	10%	0.102	S	C	.	.			trans	-68.4	-35.1	-171.4	23	-32.4	0	0	0	113.5	V126 P200 I500	V126-P181 HydrophobicContact CG2-CG 4.47Å; P181-P200 WeakPolarHBondContact O-CD 3.36Å; P181-I500 HydrophobicContact CB-CG2 4.34Å; P181-I500 HydrophobicContact CG-CD1 4.18Å
182	T	91.3	Very high	94.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	-168.3	161.9	175.9	-158.7	0	0	0	0	107.8	V126 T180 D199 M428 I500	V126-T182 WeakPolarHBondContact CG2-O 3.49Å; T180-T182 PolarHBondContact O-N 3.28Å; T182-D199 PolarHBondContact OG1-OD1 3.03Å; T182-M428 HydrophobicContact CG2-CG 4.41Å; T182-M428 HydrophobicContact CG2-SD 4.41Å; T182-I500 HydrophobicContact CG2-CD1 3.6Å; T182-I500 HydrophobicContact CG2-CG1 3.85Å; T182-I500 HydrophobicContact CG2-CG2 4.24Å
183	S	93.6	Very high	94.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.114	C	C	.	.			cis	-124.7	126.1	2.3	165.9	0	0	0	0	109.8	G123 E124 N203 R204 M428	G123-S183 CarbonylContact C-O 3.56Å; G123-S183 VanDerWaalsContact CA-O 3.24Å; G123-S183 WeakPolarHBondContact CA-O 3.33Å; E124-S183 PolarHBondContact N-O 3.16Å; E124-S183 PolarHBondContact O-N 3.07Å; E124-S183 VanDerWaalsContact O-N 3.1Å; S183-N203 WeakPolarHBondContact CB-OD1 3.38Å; S183-N203 VanDerWaalsContact OG-CB 3.24Å; S183-N203 WeakPolarHBondContact OG-CB 3.36Å; S183-N203 PolarHBondContact OG-OD1 3.46Å; S183-R204 VanDerWaalsContact OG-CG 3.31Å; S183-R204 WeakPolarHBondContact OG-CG 3.3Å; S183-R204 PolarHBondContact OG-NE 3.34Å; S183-M428 WeakPolarHBondContact CB-O 3.18Å; S183-M428 PolarHBondContact OG-O 3.47Å
184	Y	95.7	Very high	94.8	Very high	1 Å²	1	21.8 Å²	21.8	0%	0.004	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	149.9	-179.8	51.5	-94.7	0	0	0	114.4	N122 L125 M177 T180 L186 D199	N122-Y184 CarbonylContact O-C 3.45Å; N122-Y184 VanDerWaalsContact O-CA 3.26Å; N122-Y184 WeakPolarHBondContact O-CA 3.28Å; L125-Y184 HydrophobicContact CD2-CD1 3.84Å; L125-Y184 HydrophobicContact CD2-CE1 4.28Å; M177-Y184 VanDerWaalsContact CA-OH 3.26Å; M177-Y184 WeakPolarHBondContact CA-OH 3.31Å; M177-Y184 HydrophobicContact CG-CE2 4.35Å; M177-Y184 WeakPolarHBondContact CG-OH 3.49Å; T180-Y184 WeakPolarHBondContact O-CE1 3.43Å; T180-Y184 PolarHBondContact O-OH 2.95Å; T180-Y184 VanDerWaalsContact OG1-CE1 3.23Å; T180-Y184 WeakPolarHBondContact OG1-CE1 3.47Å; T180-Y184 PolarHBondContact OG1-OH 3.44Å; Y184-L186 HydrophobicContact CD2-CD1 3.73Å; Y184-L186 HydrophobicContact CD2-CD2 4.38Å; Y184-L186 HydrophobicContact CD2-CG 3.69Å; Y184-L186 HydrophobicContact CE2-CD1 4.07Å; Y184-L186 HydrophobicContact CE2-CG 4.47Å; Y184-L186 HydrophobicContact CG-CD1 4.4Å; Y184-L186 HydrophobicContact CG-CD2 4.48Å; Y184-L186 HydrophobicContact CG-CG 4.27Å; Y184-D199 HydrophobicContact CD1-CB 4.18Å; Y184-D199 HydrophobicContact CD2-CB 3.98Å; Y184-D199 HydrophobicContact CE1-CB 3.93Å; Y184-D199 HydrophobicContact CE2-CB 3.76Å; Y184-D199 HydrophobicContact CG-CB 4.18Å; Y184-D199 PolarHBondContact N-OD2 3.49Å; Y184-D199 PolarHBondContact O-N 2.97Å; Y184-D199 VanDerWaalsContact O-OD2 3.1Å
185	S	98	Very high	95	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.9	155	-71.5	0	0	0	0	108.9	N122 V197 R204 P205	N122-S185 PolarHBondContact N-O 3.38Å; N122-S185 PolarHBondContact O-N 3.45Å; S185-V197 CarbonylContact C-O 3.5Å; S185-V197 WeakPolarHBondContact CA-O 3.21Å; S185-R204 WeakPolarHBondContact OG-CB 3.36Å; S185-R204 PolarHBondContact OG-O 3.41Å; S185-P205 PolarHBondContact OG-O 3.03Å
186	L	98.3	Very high	95.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	141.5	-173.4	-53.5	173.7	0	0	0	111.4	A120 H121 I151 L176 Y184 I188 A196 V197	A120-L186 WeakPolarHBondContact O-CA 3.5Å; H121-L186 HydrophobicContact CB-CD2 3.55Å; H121-L186 WeakPolarHBondContact CD2-CD2 3.46Å; I151-L186 HydrophobicContact CD1-CD2 4Å; I151-L186 HydrophobicContact CG2-CD1 4.08Å; I151-L186 HydrophobicContact CG2-CD2 4.3Å; L176-L186 HydrophobicContact CD2-CD1 3.69Å; Y184-L186 HydrophobicContact CD2-CD1 3.73Å; Y184-L186 HydrophobicContact CD2-CD2 4.38Å; Y184-L186 HydrophobicContact CD2-CG 3.69Å; Y184-L186 HydrophobicContact CE2-CD1 4.07Å; Y184-L186 HydrophobicContact CE2-CG 4.47Å; Y184-L186 HydrophobicContact CG-CD1 4.4Å; Y184-L186 HydrophobicContact CG-CD2 4.48Å; Y184-L186 HydrophobicContact CG-CG 4.27Å; L186-I188 HydrophobicContact CB-CG1 4.39Å; L186-A196 WeakPolarHBondContact O-CA 3.47Å; L186-V197 HydrophobicContact CB-CB 4.23Å; L186-V197 PolarHBondContact N-O 3.33Å; L186-V197 PolarHBondContact O-N 3.03Å
187	L	98.8	Very high	95.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	120.3	160.8	-57.1	-175.7	0	0	0	108.6	V14 F15 I89 V119 A120 I194 Y195 A196 L206 V232	V14-L187 HydrophobicContact CB-CD1 3.98Å; V14-L187 HydrophobicContact CB-CG 4.15Å; V14-L187 HydrophobicContact CG2-CD1 4.26Å; V14-L187 HydrophobicContact CG2-CG 4.12Å; F15-L187 WeakPolarHBondContact O-CD1 3.09Å; I89-L187 HydrophobicContact CB-CB 4.38Å; I89-L187 HydrophobicContact CG2-CB 3.82Å; I89-L187 HydrophobicContact CG2-CD1 4.19Å; V119-L187 WeakPolarHBondContact CA-O 3.24Å; A120-L187 HydrophobicContact CB-CB 4.4Å; A120-L187 PolarHBondContact N-O 3.12Å; A120-L187 PolarHBondContact O-N 2.88Å; L187-I194 HydrophobicContact CB-CG2 4.38Å; L187-I194 HydrophobicContact CD2-CG2 4.39Å; L187-Y195 WeakPolarHBondContact CA-O 3.33Å; L187-A196 HydrophobicContact CD2-CB 4.01Å; L187-L206 HydrophobicContact CD2-CD1 4.27Å; L187-V232 HydrophobicContact CD1-CG1 3.89Å; L187-V232 HydrophobicContact CD2-CB 4.19Å; L187-V232 HydrophobicContact CD2-CG1 3.41Å; L187-V232 VanDerWaalsContact CD2-CG1 3.41Å; L187-V232 HydrophobicContact CD2-CG2 3.7Å; L187-V232 HydrophobicContact CG-CG1 4.31Å
188	I	98.6	Very high	95.5	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	114.8	179.5	-55.9	161.6	0	0	0	107.9	A118 V119 L155 I173 L186 I194 Y195 V197	A118-I188 CarbonylContact O-C 3.5Å; A118-I188 WeakPolarHBondContact O-CA 3.47Å; V119-I188 HydrophobicContact CG1-CG1 4.34Å; V119-I188 HydrophobicContact CG2-CG1 4.31Å; V119-I188 HydrophobicContact CG2-CG2 4.35Å; L155-I188 HydrophobicContact CD1-CD1 3.64Å; L155-I188 HydrophobicContact CD1-CG1 4.04Å; L155-I188 HydrophobicContact CD2-CD1 4.29Å; I173-I188 HydrophobicContact CD1-CD1 3.91Å; I173-I188 HydrophobicContact CG1-CD1 3.78Å; L186-I188 HydrophobicContact CB-CG1 4.39Å; I188-I194 CarbonylContact O-C 3.18Å; I188-I194 WeakPolarHBondContact O-CA 3.45Å; I188-Y195 HydrophobicContact CB-CD2 4.5Å; I188-Y195 HydrophobicContact CG2-CD2 4.49Å; I188-Y195 PolarHBondContact N-O 3.07Å; I188-Y195 PolarHBondContact O-N 3.14Å; I188-V197 HydrophobicContact CD1-CG2 4.31Å
189	M	97.9	Very high	95.8	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	119.5	178.5	-175.7	173.2	72.4	0	0	110.6	V51 Y61 L87 I89 I117 A118 I194	V51-M189 HydrophobicContact CB-CE 4.33Å; V51-M189 HydrophobicContact CG1-CE 3.74Å; Y61-M189 HydrophobicContact CD1-CE 3.65Å; Y61-M189 HydrophobicContact CE1-CE 3.4Å; Y61-M189 VanDerWaalsContact CE1-CE 3.4Å; Y61-M189 HydrophobicContact CE1-CG 4.45Å; Y61-M189 PolarHBondContact OH-O 3.46Å; L87-M189 HydrophobicContact CD1-CG 4.02Å; L87-M189 HydrophobicContact CD1-SD 4.1Å; L87-M189 HydrophobicContact CG-CG 4.44Å; L87-M189 HydrophobicContact CG-SD 3.87Å; I89-M189 HydrophobicContact CD1-CB 4.12Å; I89-M189 HydrophobicContact CG1-CB 4.26Å; I89-M189 HydrophobicContact CG2-CB 4.21Å; I117-M189 WeakPolarHBondContact CA-O 3.48Å; A118-M189 HydrophobicContact CB-CB 4.3Å; A118-M189 HydrophobicContact CB-CE 4.1Å; A118-M189 PolarHBondContact N-O 3.41Å; A118-M189 PolarHBondContact O-N 3.39Å; M189-I194 HydrophobicContact CB-CG1 4.35Å; M189-I194 HydrophobicContact CG-CG1 4.26Å
190	F	95.4	Very high	96	Very high	12 Å²	12	11.3 Å²	11.3	5%	0.053	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	123.4	176	179.2	-106.4	0	0	0	109.9	Y61 H114 R116 I117 P167 W169 D192 V193 Y195	Y61-F190 VanDerWaalsContact OH-CA 3.32Å; Y61-F190 WeakPolarHBondContact OH-CA 3.25Å; H114-F190 HydrophobicContact CB-CZ 4.47Å; H114-F190 VanDerWaalsContact O-CE2 3.28Å; H114-F190 WeakPolarHBondContact O-CE2 3.31Å; H114-F190 VanDerWaalsContact O-CZ 3.31Å; H114-F190 WeakPolarHBondContact O-CZ 3.44Å; R116-F190 WeakPolarHBondContact O-CD2 3.21Å; I117-F190 HydrophobicContact CG2-CB 4.31Å; I117-F190 HydrophobicContact CG2-CD2 3.77Å; I117-F190 HydrophobicContact CG2-CG 4.46Å; P167-F190 HydrophobicContact CG-CZ 4.44Å; W169-F190 AromaticContact CD1-CD1 3.46Å; W169-F190 VanDerWaalsContact CD1-CD1 3.46Å; W169-F190 AromaticContact CD1-CE1 3.56Å; W169-F190 AromaticContact CD1-CG 3.96Å; W169-F190 AromaticContact CE2-CD2 3.68Å; W169-F190 AromaticContact CE2-CE2 3.78Å; W169-F190 AromaticContact CE2-CG 3.78Å; W169-F190 AromaticContact CE2-CZ 3.97Å; W169-F190 HydrophobicContact CG-CD1 4.48Å; W169-F190 AromaticContact CZ2-CD2 3.62Å; W169-F190 HydrophobicContact CZ2-CD2 3.62Å; W169-F190 AromaticContact CZ2-CE2 3.63Å; W169-F190 HydrophobicContact CZ2-CE2 3.63Å; W169-F190 HydrophobicContact CZ2-CG 4.18Å; W169-F190 HydrophobicContact CZ2-CZ 4.21Å; W169-F190 AromaticContact NE1-CD1 3.09Å; W169-F190 AromaticContact NE1-CD2 3.49Å; W169-F190 AromaticContact NE1-CE1 3Å; W169-F190 AromaticContact NE1-CE2 3.41Å; W169-F190 AromaticContact NE1-CG 3.31Å; W169-F190 VanDerWaalsContact NE1-CG 3.31Å; W169-F190 AromaticContact NE1-CZ 3.14Å; F190-D192 PolarHBondContact O-N 3.43Å; F190-V193 PolarHBondContact N-O 2.8Å; F190-V193 WeakPolarHBondContact O-CG2 3.4Å; F190-V193 PolarHBondContact O-N 3.38Å; F190-V193 VanDerWaalsContact O-N 3.08Å; F190-Y195 HydrophobicContact CB-CE2 4.41Å
191	K	92.8	Very high	96.1	Very high	77 Å²	77	11.7 Å²	11.7	34%	0.335	6%	0.059	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	-107.7	-178.4	-63.5	178.6	177.4	172.7	0	112.2	S53 P59 Y61	S53-K191 PolarHBondContact OG-O 3.41Å; P59-K191 HydrophobicContact CG-CG 4.24Å; Y61-K191 PolarHBondContact OH-N 2.82Å
192	D	94.4	Very high	96.7	Very high	61 Å²	61	9.8 Å²	9.8	33%	0.326	5%	0.046	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109	8.5	-173.5	64.6	-35.6	0	0	0	113.4	W23 F190	W23-D192 HydrophobicContact CH2-CB 4.04Å; W23-D192 WeakPolarHBondContact CH2-O 3.5Å; W23-D192 HydrophobicContact CZ3-CB 3.68Å; F190-D192 PolarHBondContact O-N 3.43Å
193	V	97.1	Very high	96.9	Very high	9 Å²	9	9.8 Å²	9.8	6%	0.055	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	154.7	-179.7	-58.4	0	0	0	0	113	F190 Y195 Q257 I258	F190-V193 PolarHBondContact N-O 2.8Å; F190-V193 WeakPolarHBondContact O-CG2 3.4Å; F190-V193 PolarHBondContact O-N 3.38Å; F190-V193 VanDerWaalsContact O-N 3.08Å; V193-Y195 HydrophobicContact CG2-CD2 4.38Å; V193-Y195 HydrophobicContact CG2-CE2 3.69Å; V193-Q257 HydrophobicContact CB-CG 4.01Å; V193-Q257 HydrophobicContact CG1-CG 4.05Å; V193-Q257 HydrophobicContact CG2-CG 4.43Å; V193-I258 WeakPolarHBondContact CA-O 3.47Å
194	I	98.7	Very high	97.1	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	126.5	165.8	-62.3	178.1	0	0	0	108	V18 L87 G88 I89 L187 I188 M189 V232 I258	V18-I194 HydrophobicContact CG2-CB 4.11Å; V18-I194 HydrophobicContact CG2-CD1 3.51Å; V18-I194 HydrophobicContact CG2-CG1 3.73Å; L87-I194 HydrophobicContact CD1-CG1 4.14Å; G88-I194 VanDerWaalsContact O-CD1 3.28Å; G88-I194 WeakPolarHBondContact O-CD1 3.06Å; I89-I194 HydrophobicContact CG2-CD1 3.67Å; I89-I194 HydrophobicContact CG2-CG1 4.13Å; I89-I194 HydrophobicContact CG2-CG2 4.11Å; L187-I194 HydrophobicContact CB-CG2 4.38Å; L187-I194 HydrophobicContact CD2-CG2 4.39Å; I188-I194 CarbonylContact O-C 3.18Å; I188-I194 WeakPolarHBondContact O-CA 3.45Å; M189-I194 HydrophobicContact CB-CG1 4.35Å; M189-I194 HydrophobicContact CG-CG1 4.26Å; I194-V232 HydrophobicContact CG2-CG1 4.47Å; I194-I258 PolarHBondContact N-O 3.05Å; I194-I258 PolarHBondContact O-N 2.95Å
195	Y	98.8	Very high	97.1	Very high	19 Å²	19	9.8 Å²	9.8	8%	0.075	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	123.6	165.5	-56.9	-81.1	0	0	0	109.5	W169 I173 L187 I188 F190 V193 I255 V256 Q257 L266	W169-Y195 HydrophobicContact CB-CE2 3.97Å; W169-Y195 HydrophobicContact CG-CE2 4.29Å; I173-Y195 HydrophobicContact CD1-CD1 4.2Å; I173-Y195 HydrophobicContact CD1-CD2 4.17Å; I173-Y195 HydrophobicContact CD1-CG 3.82Å; L187-Y195 WeakPolarHBondContact CA-O 3.33Å; I188-Y195 HydrophobicContact CB-CD2 4.5Å; I188-Y195 HydrophobicContact CG2-CD2 4.49Å; I188-Y195 PolarHBondContact N-O 3.07Å; I188-Y195 PolarHBondContact O-N 3.14Å; F190-Y195 HydrophobicContact CB-CE2 4.41Å; V193-Y195 HydrophobicContact CG2-CD2 4.38Å; V193-Y195 HydrophobicContact CG2-CE2 3.69Å; Y195-I255 HydrophobicContact CD1-CG2 4.39Å; Y195-V256 CarbonylContact C-O 3.55Å; Y195-V256 VanDerWaalsContact CA-O 3.23Å; Y195-V256 WeakPolarHBondContact CA-O 3.42Å; Y195-Q257 HydrophobicContact CD1-CB 4.08Å; Y195-Q257 HydrophobicContact CD1-CG 4.33Å; Y195-Q257 HydrophobicContact CE1-CB 4Å; Y195-Q257 HydrophobicContact CE1-CG 3.96Å; Y195-L266 HydrophobicContact CD1-CD1 4.28Å; Y195-L266 HydrophobicContact CE1-CD1 3.8Å
196	A	98.8	Very high	97.2	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	120.8	170.9	0	0	0	0	0	108.4	L186 L187 L206 V232 V250 V256 I258	L186-A196 WeakPolarHBondContact O-CA 3.47Å; L187-A196 HydrophobicContact CD2-CB 4.01Å; A196-L206 HydrophobicContact CB-CD2 3.99Å; A196-V232 HydrophobicContact CB-CG2 3.79Å; A196-V250 HydrophobicContact CB-CG2 4.29Å; A196-V256 HydrophobicContact CB-CB 4.3Å; A196-V256 PolarHBondContact N-O 2.69Å; A196-V256 PolarHBondContact O-N 3.1Å; A196-I258 HydrophobicContact CB-CD1 4.25Å
197	V	98.7	Very high	97.2	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	136.1	-171.2	-173.2	0	0	0	0	109.6	I173 M177 S185 L186 I188 E254 I255	I173-V197 HydrophobicContact CD1-CG2 4.3Å; I173-V197 HydrophobicContact CG2-CB 4.48Å; I173-V197 HydrophobicContact CG2-CG1 3.9Å; I173-V197 HydrophobicContact CG2-CG2 3.75Å; M177-V197 HydrophobicContact CE-CG1 4Å; M177-V197 HydrophobicContact CG-CG1 4.25Å; M177-V197 HydrophobicContact SD-CG1 3.63Å; S185-V197 CarbonylContact C-O 3.5Å; S185-V197 WeakPolarHBondContact CA-O 3.21Å; L186-V197 HydrophobicContact CB-CB 4.23Å; L186-V197 PolarHBondContact N-O 3.33Å; L186-V197 PolarHBondContact O-N 3.03Å; I188-V197 HydrophobicContact CD1-CG2 4.31Å; V197-E254 WeakPolarHBondContact CA-O 3.44Å; V197-I255 HydrophobicContact CG1-CG1 4.41Å; V197-I255 HydrophobicContact CG2-CG2 4.33Å
198	R	97.9	Very high	97.2	Very high	9 Å²	9	9.8 Å²	9.8	3%	0.034	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	136.9	173.5	-157.3	-179.9	176.7	174.4	-2	109	M177 G202 R204 E249 V250 G253 E254	M177-R198 VanDerWaalsContact CE-O 3.24Å; M177-R198 WeakPolarHBondContact CE-O 3.22Å; R198-G202 PolarHBondContact NE-O 2.93Å; R198-G202 PolarHBondContact NH2-O 3.24Å; R198-R204 PolarHBondContact NE-O 2.9Å; R198-R204 PolarHBondContact NH2-O 3.3Å; R198-E249 IonicContact NH1-OE1 3.32Å; R198-V250 HydrophobicContact CB-CG1 3.92Å; R198-V250 WeakPolarHBondContact CD-O 3.23Å; R198-V250 PolarHBondContact NH1-O 2.9Å; R198-G253 VanDerWaalsContact O-CA 3.29Å; R198-G253 WeakPolarHBondContact O-CA 3.46Å; R198-G253 PolarHBondContact O-N 3.42Å; R198-E254 PolarHBondContact N-O 3.41Å
199	D	97.3	Very high	97.1	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.046	C	C	.	.			trans	-55.2	155.5	179.2	70.7	92.7	0	0	0	112.1	T182 Y184 Y201 G202 N203 G253	T182-D199 PolarHBondContact OG1-OD1 3.03Å; Y184-D199 HydrophobicContact CD1-CB 4.18Å; Y184-D199 HydrophobicContact CD2-CB 3.98Å; Y184-D199 HydrophobicContact CE1-CB 3.93Å; Y184-D199 HydrophobicContact CE2-CB 3.76Å; Y184-D199 HydrophobicContact CG-CB 4.18Å; Y184-D199 PolarHBondContact N-OD2 3.49Å; Y184-D199 PolarHBondContact O-N 2.97Å; Y184-D199 VanDerWaalsContact O-OD2 3.1Å; D199-Y201 PolarHBondContact O-N 3.18Å; D199-Y201 VanDerWaalsContact O-N 3.15Å; D199-Y201 WeakPolarHBondContact OD1-CA 3.24Å; D199-Y201 WeakPolarHBondContact OD1-CB 3.27Å; D199-Y201 PolarHBondContact OD1-N 3.2Å; D199-Y201 VanDerWaalsContact OD1-N 3.07Å; D199-G202 WeakPolarHBondContact O-CA 3.21Å; D199-G202 PolarHBondContact O-N 3.1Å; D199-G202 PolarHBondContact OD1-N 3.01Å; D199-G202 VanDerWaalsContact OD1-N 3.1Å; D199-N203 PolarHBondContact OD1-N 3.38Å; D199-N203 PolarHBondContact OD2-N 3.21Å; D199-G253 PolarHBondContact O-N 3.35Å
200	P	95.9	Very high	97	Very high	6 Å²	6	10.5 Å²	10.5	4%	0.039	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-35.2	-179.3	-30.1	36.1	0	0	0	114.8	M177 P181 G202 P252 V269 R271	M177-P200 HydrophobicContact CE-CG 4.24Å; P181-P200 WeakPolarHBondContact O-CD 3.36Å; P200-G202 VanDerWaalsContact C-N 3.29Å; P200-P252 VanDerWaalsContact O-CB 3.29Å; P200-P252 WeakPolarHBondContact O-CB 3.46Å; P200-V269 HydrophobicContact CG-CG1 4.17Å; P200-R271 HydrophobicContact CB-CG 3.82Å; P200-R271 WeakPolarHBondContact O-CD 3.42Å; P200-R271 WeakPolarHBondContact O-CG 3.33Å; P200-R271 PolarHBondContact O-NH1 3.37Å
201	Y	96.4	Very high	97	Very high	10 Å²	10	10.2 Å²	10.2	4%	0.039	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-14.8	176.6	-69.1	-92.5	0	0	0	113.8	D199 N203 R271 D275 A278 P499 I500	D199-Y201 PolarHBondContact O-N 3.18Å; D199-Y201 VanDerWaalsContact O-N 3.15Å; D199-Y201 WeakPolarHBondContact OD1-CA 3.24Å; D199-Y201 WeakPolarHBondContact OD1-CB 3.27Å; D199-Y201 PolarHBondContact OD1-N 3.2Å; D199-Y201 VanDerWaalsContact OD1-N 3.07Å; Y201-N203 VanDerWaalsContact C-N 3.27Å; Y201-N203 PolarHBondContact O-N 3.3Å; Y201-R271 HydrophobicContact CD1-CG 4.49Å; Y201-R271 HydrophobicContact CG-CG 4.47Å; Y201-D275 HydrophobicContact CE1-CB 3.96Å; Y201-D275 PolarHBondContact OH-OD2 3.38Å; Y201-A278 HydrophobicContact CD1-CB 3.95Å; Y201-A278 HydrophobicContact CG-CB 4.42Å; Y201-A278 PolarHBondContact O-N 2.89Å; Y201-P499 HydrophobicContact CD1-CB 3.97Å; Y201-P499 HydrophobicContact CE1-CB 3.99Å; Y201-P499 PolarHBondContact OH-O 3.35Å; Y201-I500 HydrophobicContact CD2-CG2 4.45Å; Y201-I500 HydrophobicContact CE2-CG2 3.63Å
202	G	96.1	Very high	96.9	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.01	3%	0.033	C	C	.	.			trans	65.9	30.9	-178.3	0	0	0	0	0	112.3	R198 D199 P200 R204 F279	R198-G202 PolarHBondContact NE-O 2.93Å; R198-G202 PolarHBondContact NH2-O 3.24Å; D199-G202 WeakPolarHBondContact O-CA 3.21Å; D199-G202 PolarHBondContact O-N 3.1Å; D199-G202 PolarHBondContact OD1-N 3.01Å; D199-G202 VanDerWaalsContact OD1-N 3.1Å; P200-G202 VanDerWaalsContact C-N 3.29Å; G202-R204 PolarHBondContact O-N 3.16Å; G202-F279 WeakPolarHBondContact O-CD2 3.22Å
203	N	96.8	Very high	96.6	Very high	1 Å²	1	5.4 Å²	5.4	1%	0.005	3%	0.028	C	C	.	.			trans	-64.4	-44.2	-167.3	-175.2	-95.7	0	0	0	112.5	S183 D199 Y201 A278 F279 C280	S183-N203 WeakPolarHBondContact CB-OD1 3.38Å; S183-N203 VanDerWaalsContact OG-CB 3.24Å; S183-N203 WeakPolarHBondContact OG-CB 3.36Å; S183-N203 PolarHBondContact OG-OD1 3.46Å; D199-N203 PolarHBondContact OD1-N 3.38Å; D199-N203 PolarHBondContact OD2-N 3.21Å; Y201-N203 VanDerWaalsContact C-N 3.27Å; Y201-N203 PolarHBondContact O-N 3.3Å; N203-A278 WeakPolarHBondContact CA-O 2.91Å; N203-A278 PolarHBondContact ND2-O 3Å; N203-F279 WeakPolarHBondContact O-CD2 3.27Å; N203-C280 WeakPolarHBondContact O-CB 3.41Å; N203-C280 PolarHBondContact O-N 3.49Å
204	R	96.5	Very high	96.1	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.061	C	C	.	.	S	Bend	trans	-93.6	146.2	178.4	-62.7	-68.1	154.4	-174.9	13.8	112.2	E11 S183 S185 R198 G202 E283 M428 G429 I430	E11-R204 IonicContact OE1-CZ 3.81Å; E11-R204 IonicContact OE1-NE 3.3Å; E11-R204 IonicContact OE1-NH1 3.83Å; E11-R204 PolarHBondContact OE1-NH1 3.46Å; E11-R204 IonicContact OE1-NH2 3.9Å; E11-R204 PolarHBondContact OE1-NH2 3.27Å; E11-R204 IonicContact OE2-CZ 3.31Å; E11-R204 IonicContact OE2-NE 3.58Å; E11-R204 PolarHBondContact OE2-NE 3.46Å; E11-R204 IonicContact OE2-NH1 2.8Å; E11-R204 PolarHBondContact OE2-NH1 3.16Å; E11-R204 IonicContact OE2-NH2 3.02Å; E11-R204 PolarHBondContact OE2-NH2 2.96Å; S183-R204 VanDerWaalsContact OG-CG 3.31Å; S183-R204 WeakPolarHBondContact OG-CG 3.3Å; S183-R204 PolarHBondContact OG-NE 3.34Å; S185-R204 WeakPolarHBondContact OG-CB 3.36Å; S185-R204 PolarHBondContact OG-O 3.41Å; R198-R204 PolarHBondContact NE-O 2.9Å; R198-R204 PolarHBondContact NH2-O 3.3Å; G202-R204 PolarHBondContact O-N 3.16Å; R204-E283 IonicContact NH1-OE1 3.35Å; R204-M428 VanDerWaalsContact CZ-O 3.29Å; R204-M428 PolarHBondContact NE-O 3.13Å; R204-M428 PolarHBondContact NH2-O 3.37Å; R204-G429 VanDerWaalsContact NH2-CA 3.32Å; R204-I430 VanDerWaalsContact NH2-N 3.18Å
205	P	97.1	Very high	95.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.094	C	C	.	.			trans	-78.3	145	-177.9	32.1	-35.4	0	0	0	112.1	S185 S234 F279 E283 F294	S185-P205 PolarHBondContact OG-O 3.03Å; P205-S234 VanDerWaalsContact CB-O 3.27Å; P205-S234 WeakPolarHBondContact CB-O 3.3Å; P205-S234 WeakPolarHBondContact CG-O 3.47Å; P205-F279 HydrophobicContact CB-CE2 3.88Å; P205-F279 HydrophobicContact CB-CZ 4.13Å; P205-E283 WeakPolarHBondContact CD-OE1 3.36Å; P205-E283 HydrophobicContact CG-CG 4.46Å; P205-F294 HydrophobicContact CB-CD1 3.91Å; P205-F294 HydrophobicContact CB-CE1 3.35Å; P205-F294 HydrophobicContact CB-CZ 3.79Å; P205-F294 HydrophobicContact CG-CE1 4.04Å; P205-F294 HydrophobicContact CG-CZ 3.99Å
206	L	98.5	Very high	94.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.111	C	C	.	.			trans	-154.6	125.5	172.6	-164.1	64	0	0	0	109.8	V14 L187 A196 V232 S233 V250	V14-L206 HydrophobicContact CG2-CD1 3.95Å; L187-L206 HydrophobicContact CD2-CD1 4.27Å; A196-L206 HydrophobicContact CB-CD2 3.99Å; L206-V232 HydrophobicContact CD1-CG2 3.69Å; L206-V232 HydrophobicContact CD2-CG2 4.32Å; L206-V232 HydrophobicContact CG-CG2 3.83Å; L206-S233 WeakPolarHBondContact CA-O 3.24Å; L206-V250 HydrophobicContact CB-CB 4.13Å; L206-V250 HydrophobicContact CB-CG2 4.19Å; L206-V250 HydrophobicContact CD2-CB 4.18Å; L206-V250 HydrophobicContact CD2-CG1 4.37Å; L206-V250 HydrophobicContact CD2-CG2 3.88Å; L206-V250 HydrophobicContact CG-CB 4.29Å; L206-V250 HydrophobicContact CG-CG2 3.86Å; L206-V250 PolarHBondContact O-N 2.81Å
207	S	98.2	Very high	93.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	153.7	-176.4	-51.5	0	0	0	0	111.4	V232 S233	S207-V232 CarbonylContact O-C 3.59Å; S207-V232 VanDerWaalsContact O-CA 3.25Å; S207-V232 WeakPolarHBondContact O-CA 3.38Å; S207-V232 WeakPolarHBondContact O-CG2 3.26Å; S207-S233 PolarHBondContact N-O 2.94Å; S207-S233 PolarHBondContact O-N 3.23Å
208	I	98.6	Very high	92.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	140.6	178.4	-58	175.5	0	0	0	109	W230 V231 V232 Y247 R248 V250 V256 I258 V263	I208-W230 HydrophobicContact CG2-CE3 4.14Å; I208-V231 CarbonylContact C-O 3.48Å; I208-V231 VanDerWaalsContact CA-O 3.32Å; I208-V231 WeakPolarHBondContact CA-O 3.4Å; I208-V232 HydrophobicContact CG1-CG2 4.36Å; I208-Y247 HydrophobicContact CB-CD1 4.43Å; I208-Y247 HydrophobicContact CG2-CD1 4.03Å; I208-Y247 WeakPolarHBondContact O-CA 3.23Å; I208-Y247 WeakPolarHBondContact O-CB 3.22Å; I208-Y247 PolarHBondContact O-N 3.04Å; I208-R248 PolarHBondContact N-O 3.4Å; I208-R248 PolarHBondContact O-N 3.2Å; I208-V250 HydrophobicContact CD1-CG2 3.93Å; I208-V250 HydrophobicContact CG1-CG2 3.91Å; I208-V256 HydrophobicContact CD1-CB 4.44Å; I208-V256 HydrophobicContact CD1-CG1 3.8Å; I208-V256 HydrophobicContact CD1-CG2 4.44Å; I208-I258 HydrophobicContact CD1-CD1 4.44Å; I208-V263 HydrophobicContact CD1-CG1 3.88Å; I208-V263 HydrophobicContact CG2-CG2 4.11Å
209	G	97.1	Very high	91.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	164.1	172.5	0	0	0	0	0	112.6	V231 K245	G209-V231 PolarHBondContact N-O 2.86Å; G209-V231 WeakPolarHBondContact O-CG2 3.46Å; G209-V231 PolarHBondContact O-N 3.26Å; G209-K245 CarbonylContact C-O 3.46Å; G209-K245 WeakPolarHBondContact CA-O 2.92Å
210	R	95.6	Very high	90.2	Very high	16 Å²	16	39.9 Å²	39.9	6%	0.06	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.3	172.1	-75.5	-170.7	-25.1	109.2	-6.1	110.5	V212 A222 G223 T227 W230 A244 K245	R210-V212 HydrophobicContact CB-CG1 4.34Å; R210-A222 PolarHBondContact NH2-O 3.27Å; R210-G223 PolarHBondContact NH1-O 3.38Å; R210-G223 VanDerWaalsContact NH2-C 3.26Å; R210-G223 PolarHBondContact NH2-O 2.99Å; R210-T227 HydrophobicContact CB-CG2 4.37Å; R210-T227 HydrophobicContact CG-CG2 4.2Å; R210-T227 PolarHBondContact NH1-OG1 3.32Å; R210-W230 VanDerWaalsContact CD-CZ3 3.46Å; R210-W230 HydrophobicContact CG-CD2 4.01Å; R210-W230 HydrophobicContact CG-CE3 3.38Å; R210-W230 HydrophobicContact CG-CH2 3.46Å; R210-W230 VanDerWaalsContact CG-CH2 3.46Å; R210-W230 HydrophobicContact CG-CZ2 4.02Å; R210-W230 HydrophobicContact CG-CZ3 3.1Å; R210-A244 CarbonylContact O-C 3.22Å; R210-A244 WeakPolarHBondContact O-CA 3.35Å; R210-K245 PolarHBondContact N-O 3Å; R210-K245 PolarHBondContact O-N 3.48Å
211	L	95.3	Very high	88.6	Confident	6 Å²	6	42.5 Å²	42.5	3%	0.031	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	129.5	162.4	-68.3	164.8	0	0	0	108.5	L27 V32 E228 G229 V231 I242 A244	L27-L211 HydrophobicContact CD1-CD1 4.48Å; L27-L211 HydrophobicContact CD2-CD1 3.76Å; V32-L211 HydrophobicContact CG1-CD1 4.06Å; V32-L211 HydrophobicContact CG2-CD1 4.48Å; L211-E228 HydrophobicContact CB-CB 4.44Å; L211-E228 PolarHBondContact O-N 2.91Å; L211-G229 WeakPolarHBondContact CB-O 3.19Å; L211-G229 PolarHBondContact N-O 2.99Å; L211-V231 HydrophobicContact CD1-CG1 3.75Å; L211-V231 HydrophobicContact CD2-CG1 4.41Å; L211-V231 HydrophobicContact CG-CG1 3.87Å; L211-I242 HydrophobicContact CD2-CB 4.27Å; L211-I242 HydrophobicContact CD2-CD1 4.06Å; L211-I242 HydrophobicContact CD2-CG1 3.97Å; L211-I242 WeakPolarHBondContact CD2-O 3.24Å; L211-A244 HydrophobicContact CD2-CB 3.92Å; L211-A244 HydrophobicContact CG-CB 4.35Å
212	V	92.3	Very high	87.2	Confident	4 Å²	4	42.8 Å²	42.8	2%	0.024	25%	0.248	C	C	.	.			trans	-131.7	155.1	177.7	-63	0	0	0	0	108.7	R210 I214 L217 A222 K245	R210-V212 HydrophobicContact CB-CG1 4.34Å; V212-I214 PolarHBondContact O-N 3.13Å; V212-L217 HydrophobicContact CG2-CD1 3.94Å; V212-A222 HydrophobicContact CG1-CB 4.47Å; V212-K245 HydrophobicContact CG2-CD 4.17Å; V212-K245 HydrophobicContact CG2-CG 4.08Å
213	P	88.2	Confident	86	Confident	32 Å²	32	44.2 Å²	44.2	21%	0.208	26%	0.263	C	S	.	.			trans	-52.6	138.8	174	-26.7	33.3	0	0	0	111.1	S215 R216 L217 D226 E228	P213-S215 PolarHBondContact O-N 3.21Å; P213-S215 VanDerWaalsContact O-N 3.09Å; P213-R216 HydrophobicContact CB-CG 4.45Å; P213-R216 WeakPolarHBondContact O-CA 3.49Å; P213-R216 WeakPolarHBondContact O-CB 3.25Å; P213-R216 PolarHBondContact O-N 3.17Å; P213-L217 PolarHBondContact O-N 2.78Å; P213-D226 WeakPolarHBondContact CD-O 3.46Å; P213-E228 HydrophobicContact CG-CG 4.23Å
214	I	84.8	Confident	85	Confident	147 Å²	147	50.1 Å²	50.1	75%	0.754	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-53.6	-37.3	-177.8	-65.5	171.1	0	0	0	111.4	V212 R216 L217	V212-I214 PolarHBondContact O-N 3.13Å; I214-R216 PolarHBondContact O-N 3.02Å; I214-R216 VanDerWaalsContact O-N 3.15Å; I214-L217 WeakPolarHBondContact O-CB 3.38Å; I214-L217 PolarHBondContact O-N 3.44Å
215	S	83.3	Confident	84.3	Confident	99 Å²	99	59.4 Å²	59.4	69%	0.692	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-60.6	-21.5	176.7	57.8	0	0	0	0	114.1	P213	P213-S215 PolarHBondContact O-N 3.21Å; P213-S215 VanDerWaalsContact O-N 3.09Å
216	R	81.6	Confident	83.7	Confident	117 Å²	117	61.6 Å²	61.6	44%	0.442	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-107	-3.3	-179.2	-62.1	-66.4	-162.2	176.1	4.2	113.2	P213 I214 H218 S219 A222 K245	P213-R216 HydrophobicContact CB-CG 4.45Å; P213-R216 WeakPolarHBondContact O-CA 3.49Å; P213-R216 WeakPolarHBondContact O-CB 3.25Å; P213-R216 PolarHBondContact O-N 3.17Å; I214-R216 PolarHBondContact O-N 3.02Å; I214-R216 VanDerWaalsContact O-N 3.15Å; R216-H218 VanDerWaalsContact C-N 3.29Å; R216-H218 PolarHBondContact O-N 3.06Å; R216-S219 PolarHBondContact O-N 3.33Å; R216-S219 VanDerWaalsContact O-N 3.09Å; R216-A222 HydrophobicContact CB-CB 4.03Å; R216-K245 WeakPolarHBondContact O-CE 3.21Å; R216-K245 PolarHBondContact O-NZ 3.46Å
217	L	80.1	Confident	83.4	Confident	38 Å²	38	62.6 Å²	62.6	20%	0.199	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-35.1	-173.1	-173.7	61	0	0	0	113.4	V212 P213 I214 G243 K245	V212-L217 HydrophobicContact CG2-CD1 3.94Å; P213-L217 PolarHBondContact O-N 2.78Å; I214-L217 WeakPolarHBondContact O-CB 3.38Å; I214-L217 PolarHBondContact O-N 3.44Å; L217-G243 WeakPolarHBondContact CD1-O 3.46Å; L217-K245 VanDerWaalsContact C-CE 3.49Å; L217-K245 HydrophobicContact CD1-CG 4.08Å; L217-K245 WeakPolarHBondContact O-CE 3.37Å; L217-K245 PolarHBondContact O-NZ 2.95Å
218	H	79.3	Confident	83.3	Confident	175 Å²	175	67 Å²	67	81%	0.81	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	2.2	177.2	-58.9	-60.9	0	0	0	113.5	R216	R216-H218 VanDerWaalsContact C-N 3.29Å; R216-H218 PolarHBondContact O-N 3.06Å
219	S	76.4	Confident	83.2	Confident	38 Å²	38	67 Å²	67	27%	0.266	37%	0.373	S	S	.	.			trans	-80.1	130.7	178.2	-54.7	0	0	0	0	110.8	R216 G221 K245	R216-S219 PolarHBondContact O-N 3.33Å; R216-S219 VanDerWaalsContact O-N 3.09Å; S219-G221 PolarHBondContact O-N 3.46Å; S219-G221 VanDerWaalsContact O-N 3.13Å; S219-K245 PolarHBondContact O-NZ 3.46Å
220	P	65.8	Low	83.2	Confident	148 Å²	148	67.4 Å²	67.4	96%	0.961	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-4.1	178	26.4	-32.5	0	0	0	114
221	G	62	Low	83.4	Confident	60 Å²	60	66.7 Å²	66.7	62%	0.619	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	13.1	-178	0	0	0	0	0	116	S219 G223	S219-G221 PolarHBondContact O-N 3.46Å; S219-G221 VanDerWaalsContact O-N 3.13Å; G221-G223 PolarHBondContact O-N 3.34Å
222	A	66.8	Low	83.6	Confident	16 Å²	16	66.4 Å²	66.4	13%	0.132	37%	0.37	C	S	.	.			trans	-70.8	104.3	176.5	0	0	0	0	0	110	R210 V212 R216 D226	R210-A222 PolarHBondContact NH2-O 3.27Å; V212-A222 HydrophobicContact CG1-CB 4.47Å; R216-A222 HydrophobicContact CB-CB 4.03Å; A222-D226 VanDerWaalsContact CA-OD2 3.32Å; A222-D226 WeakPolarHBondContact CA-OD2 3.44Å
223	G	72.1	Confident	83.9	Confident	32 Å²	32	66.2 Å²	66.2	33%	0.33	37%	0.369	S	S	.	.			trans	-85.1	175	-177.7	0	0	0	0	0	112.3	R210 G221 E225 D226	R210-G223 PolarHBondContact NH1-O 3.38Å; R210-G223 VanDerWaalsContact NH2-C 3.26Å; R210-G223 PolarHBondContact NH2-O 2.99Å; G221-G223 PolarHBondContact O-N 3.34Å; G223-E225 PolarHBondContact O-N 3.38Å; G223-E225 VanDerWaalsContact O-N 3.16Å; G223-D226 PolarHBondContact N-OD2 2.88Å; G223-D226 PolarHBondContact O-N 2.81Å
224	E	75.6	Confident	84.3	Confident	124 Å²	124	64.7 Å²	64.7	58%	0.579	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-57.3	-25.4	173.9	-71.4	-171.8	174.8	0	0	112.5	D226 T227 Y247	E224-D226 VanDerWaalsContact C-N 3.26Å; E224-D226 PolarHBondContact O-N 3.2Å; E224-T227 WeakPolarHBondContact O-CB 3.21Å; E224-T227 PolarHBondContact O-N 3.48Å; E224-T227 VanDerWaalsContact O-N 3.15Å; E224-T227 PolarHBondContact O-OG1 3.48Å; E224-Y247 PolarHBondContact OE1-OH 3.27Å
225	E	81.1	Confident	85	Confident	196 Å²	196	57.7 Å²	57.7	92%	0.916	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-64	-28.5	174.9	-59.2	180	-178.7	0	0	113.1	G223 T227	G223-E225 PolarHBondContact O-N 3.38Å; G223-E225 VanDerWaalsContact O-N 3.16Å; E225-T227 PolarHBondContact O-N 2.82Å
226	D	85.5	Confident	85.6	Confident	46 Å²	46	53.5 Å²	53.5	25%	0.246	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-84.6	13.4	176.7	-58.9	-66.7	0	0	0	112.5	P213 A222 G223 E224 E228	P213-D226 WeakPolarHBondContact CD-O 3.46Å; A222-D226 VanDerWaalsContact CA-OD2 3.32Å; A222-D226 WeakPolarHBondContact CA-OD2 3.44Å; G223-D226 PolarHBondContact N-OD2 2.88Å; G223-D226 PolarHBondContact O-N 2.81Å; E224-D226 VanDerWaalsContact C-N 3.26Å; E224-D226 PolarHBondContact O-N 3.2Å; D226-E228 PolarHBondContact O-N 3.09Å
227	T	92.6	Very high	86.4	Confident	20 Å²	20	48 Å²	48	12%	0.123	27%	0.273	C	S	.	.			trans	-75	117.1	-179.4	-44.8	0	0	0	0	111.2	A20 R210 E224 E225 G229 W230	A20-T227 HydrophobicContact CB-CG2 4.17Å; A20-T227 WeakPolarHBondContact CB-O 3.42Å; R210-T227 HydrophobicContact CB-CG2 4.37Å; R210-T227 HydrophobicContact CG-CG2 4.2Å; R210-T227 PolarHBondContact NH1-OG1 3.32Å; E224-T227 WeakPolarHBondContact O-CB 3.21Å; E224-T227 PolarHBondContact O-N 3.48Å; E224-T227 VanDerWaalsContact O-N 3.15Å; E224-T227 PolarHBondContact O-OG1 3.48Å; E225-T227 PolarHBondContact O-N 2.82Å; T227-G229 WeakPolarHBondContact CG2-O 3.43Å; T227-W230 HydrophobicContact CG2-CD2 4.21Å; T227-W230 HydrophobicContact CG2-CG 4.37Å; T227-W230 HydrophobicContact CG2-CZ2 4.26Å
228	E	95.1	Very high	87.1	Confident	93 Å²	93	46.1 Å²	46.1	44%	0.435	26%	0.263	S	S	.	.	S	Bend	trans	-86	-24.8	168.8	-68.4	179.6	149.7	0	0	111.8	A20 L211 P213 D226	A20-E228 PolarHBondContact N-O 3.03Å; L211-E228 HydrophobicContact CB-CB 4.44Å; L211-E228 PolarHBondContact O-N 2.91Å; P213-E228 HydrophobicContact CG-CG 4.23Å; D226-E228 PolarHBondContact O-N 3.09Å
229	G	96.7	Very high	87.9	Confident	0 Å²	0	38 Å²	38	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.4	168.5	176	0	0	0	0	0	112.8	V18 L211 T227	V18-G229 CarbonylContact O-C 3.54Å; V18-G229 WeakPolarHBondContact O-CA 3.47Å; L211-G229 WeakPolarHBondContact CB-O 3.19Å; L211-G229 PolarHBondContact N-O 2.99Å; T227-G229 WeakPolarHBondContact CG2-O 3.43Å
230	W	98.2	Very high	88.5	Confident	9 Å²	9	42.8 Å²	42.8	3%	0.034	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	139	176.2	-64.8	92	0	0	0	109.4	C17 V18 I208 R210 T227 Y247 I258 V263	C17-W230 CarbonylContact C-O 3.56Å; C17-W230 WeakPolarHBondContact CA-O 3.36Å; V18-W230 PolarHBondContact N-O 3.4Å; V18-W230 PolarHBondContact O-N 3.02Å; I208-W230 HydrophobicContact CG2-CE3 4.14Å; R210-W230 VanDerWaalsContact CD-CZ3 3.46Å; R210-W230 HydrophobicContact CG-CD2 4.01Å; R210-W230 HydrophobicContact CG-CE3 3.38Å; R210-W230 HydrophobicContact CG-CH2 3.46Å; R210-W230 VanDerWaalsContact CG-CH2 3.46Å; R210-W230 HydrophobicContact CG-CZ2 4.02Å; R210-W230 HydrophobicContact CG-CZ3 3.1Å; T227-W230 HydrophobicContact CG2-CD2 4.21Å; T227-W230 HydrophobicContact CG2-CG 4.37Å; T227-W230 HydrophobicContact CG2-CZ2 4.26Å; W230-Y247 HydrophobicContact CH2-CE1 4.41Å; W230-Y247 HydrophobicContact CH2-CE2 4.3Å; W230-Y247 AromaticContact CZ3-CD1 3.84Å; W230-Y247 HydrophobicContact CZ3-CD1 3.84Å; W230-Y247 HydrophobicContact CZ3-CD2 4.19Å; W230-Y247 AromaticContact CZ3-CE1 3.99Å; W230-Y247 HydrophobicContact CZ3-CE1 3.99Å; W230-Y247 HydrophobicContact CZ3-CE2 4.3Å; W230-Y247 AromaticContact CZ3-CG 3.96Å; W230-Y247 HydrophobicContact CZ3-CG 3.96Å; W230-I258 HydrophobicContact CB-CG2 3.47Å; W230-I258 VanDerWaalsContact CB-CG2 3.47Å; W230-I258 HydrophobicContact CG-CG2 4.16Å; W230-V263 HydrophobicContact CB-CG2 4.45Å; W230-V263 HydrophobicContact CD2-CG2 3.5Å; W230-V263 VanDerWaalsContact CD2-CG2 3.5Å; W230-V263 HydrophobicContact CE3-CB 4.43Å; W230-V263 HydrophobicContact CE3-CG2 3.23Å; W230-V263 HydrophobicContact CG-CG2 4.03Å; W230-V263 HydrophobicContact CH2-CG2 4.12Å; W230-V263 HydrophobicContact CZ2-CG2 4.38Å; W230-V263 HydrophobicContact CZ3-CB 4.34Å; W230-V263 HydrophobicContact CZ3-CG2 3.55Å
231	V	98.5	Very high	89.5	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	148	177.4	-66.2	0	0	0	0	110.2	F15 G16 C17 V32 I208 G209 L211 F239 I242 A244	F15-V231 HydrophobicContact CE1-CB 4.46Å; F15-V231 HydrophobicContact CE1-CG1 4.23Å; F15-V231 HydrophobicContact CE2-CB 4.34Å; F15-V231 HydrophobicContact CZ-CB 3.76Å; F15-V231 HydrophobicContact CZ-CG1 3.74Å; G16-V231 CarbonylContact O-C 3.5Å; G16-V231 VanDerWaalsContact O-CA 3.23Å; G16-V231 WeakPolarHBondContact O-CA 3.41Å; C17-V231 HydrophobicContact CB-CG1 4.18Å; V32-V231 HydrophobicContact CG1-CG1 4.25Å; I208-V231 CarbonylContact C-O 3.48Å; I208-V231 VanDerWaalsContact CA-O 3.32Å; I208-V231 WeakPolarHBondContact CA-O 3.4Å; G209-V231 PolarHBondContact N-O 2.86Å; G209-V231 WeakPolarHBondContact O-CG2 3.46Å; G209-V231 PolarHBondContact O-N 3.26Å; L211-V231 HydrophobicContact CD1-CG1 3.75Å; L211-V231 HydrophobicContact CD2-CG1 4.41Å; L211-V231 HydrophobicContact CG-CG1 3.87Å; V231-F239 HydrophobicContact CB-CE1 4.5Å; V231-F239 HydrophobicContact CG2-CD1 3.74Å; V231-F239 HydrophobicContact CG2-CE1 3.73Å; V231-I242 HydrophobicContact CB-CD1 4.4Å; V231-I242 HydrophobicContact CG1-CD1 3.94Å; V231-I242 HydrophobicContact CG2-CD1 4.24Å; V231-A244 HydrophobicContact CG2-CB 3.71Å
232	V	98.8	Very high	90.9	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	138.5	174.1	55.7	0	0	0	0	108.3	F15 G16 L187 I194 A196 L206 S207 I208 I258	F15-V232 CarbonylContact C-O 3.56Å; F15-V232 VanDerWaalsContact CA-O 3.28Å; F15-V232 WeakPolarHBondContact CA-O 3.42Å; G16-V232 PolarHBondContact N-O 3.26Å; G16-V232 PolarHBondContact O-N 3.07Å; L187-V232 HydrophobicContact CD1-CG1 3.89Å; L187-V232 HydrophobicContact CD2-CB 4.19Å; L187-V232 HydrophobicContact CD2-CG1 3.41Å; L187-V232 VanDerWaalsContact CD2-CG1 3.41Å; L187-V232 HydrophobicContact CD2-CG2 3.7Å; L187-V232 HydrophobicContact CG-CG1 4.31Å; I194-V232 HydrophobicContact CG2-CG1 4.47Å; A196-V232 HydrophobicContact CB-CG2 3.79Å; L206-V232 HydrophobicContact CD1-CG2 3.69Å; L206-V232 HydrophobicContact CD2-CG2 4.32Å; L206-V232 HydrophobicContact CG-CG2 3.83Å; S207-V232 CarbonylContact O-C 3.59Å; S207-V232 VanDerWaalsContact O-CA 3.25Å; S207-V232 WeakPolarHBondContact O-CA 3.38Å; S207-V232 WeakPolarHBondContact O-CG2 3.26Å; I208-V232 HydrophobicContact CG1-CG2 4.36Å; V232-I258 HydrophobicContact CB-CD1 3.78Å; V232-I258 HydrophobicContact CG1-CD1 3.89Å; V232-I258 HydrophobicContact CG2-CD1 4.5Å
233	S	98.6	Very high	92.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	149.8	-170.4	-176.2	0	0	0	0	111.9	V14 L206 S207 E235 S238	V14-S233 CarbonylContact O-C 3.23Å; V14-S233 WeakPolarHBondContact O-CA 2.81Å; L206-S233 WeakPolarHBondContact CA-O 3.24Å; S207-S233 PolarHBondContact N-O 2.94Å; S207-S233 PolarHBondContact O-N 3.23Å; S233-E235 PolarHBondContact O-N 2.74Å; S233-E235 PolarHBondContact OG-N 2.72Å; S233-E235 PolarHBondContact OG-O 3.23Å; S233-S238 WeakPolarHBondContact CB-OG 3.43Å; S233-S238 PolarHBondContact OG-OG 2.91Å
234	S	98.2	Very high	93.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-57.5	-29.3	168	-62.1	0	0	0	0	112.9	V14 P205	V14-S234 WeakPolarHBondContact CG2-OG 3Å; V14-S234 PolarHBondContact N-OG 3.24Å; V14-S234 PolarHBondContact O-N 2.71Å; V14-S234 PolarHBondContact O-OG 3.48Å; P205-S234 VanDerWaalsContact CB-O 3.27Å; P205-S234 WeakPolarHBondContact CB-O 3.3Å; P205-S234 WeakPolarHBondContact CG-O 3.47Å
235	E	98	Very high	94	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.			trans	-140.7	141.3	-179.2	-78.5	-176.2	-109.3	0	0	113.8	L40 H42 R43 S233 C237 S238 A288 R289 S292 F294	L40-E235 HydrophobicContact CD2-CB 3.71Å; L40-E235 HydrophobicContact CD2-CG 4.43Å; H42-E235 IonicContact CD2-OE1 3.26Å; H42-E235 IonicContact CE1-OE1 3.91Å; H42-E235 PolarHBondContact CE1-OE1 3.02Å; H42-E235 VanDerWaalsContact CE1-OE1 3.3Å; H42-E235 IonicContact NE2-OE1 3.63Å; H42-E235 PolarHBondContact NE2-OE1 2.87Å; H42-E235 IonicContact NE2-OE2 3.81Å; R43-E235 IonicContact CZ-OE1 2.87Å; R43-E235 IonicContact NE-OE1 3.84Å; R43-E235 PolarHBondContact NE-OE1 2.93Å; R43-E235 VanDerWaalsContact NH2-CG 3.3Å; R43-E235 IonicContact NH2-OE1 3.59Å; R43-E235 PolarHBondContact NH2-OE1 3.41Å; S233-E235 PolarHBondContact O-N 2.74Å; S233-E235 PolarHBondContact OG-N 2.72Å; S233-E235 PolarHBondContact OG-O 3.23Å; E235-C237 PolarHBondContact O-N 3.41Å; E235-S238 PolarHBondContact O-N 3.37Å; E235-S238 PolarHBondContact O-OG 3.2Å; E235-A288 WeakPolarHBondContact OE2-CA 3.29Å; E235-A288 WeakPolarHBondContact OE2-CB 3.3Å; E235-R289 PolarHBondContact OE2-N 2.89Å; E235-S292 WeakPolarHBondContact CB-OG 3.46Å; E235-S292 VanDerWaalsContact OE2-CB 3.27Å; E235-S292 WeakPolarHBondContact OE2-CB 3.46Å; E235-S292 PolarHBondContact OE2-OG 3.31Å; E235-F294 HydrophobicContact CG-CE1 4.11Å; E235-F294 HydrophobicContact CG-CZ 3.77Å
236	S	97.6	Very high	94.7	Very high	10 Å²	10	26.8 Å²	26.8	7%	0.07	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-21.2	176.7	67.9	0	0	0	0	113.9	S238 F239 S292 I293	S236-S238 PolarHBondContact O-N 3.01Å; S236-S238 VanDerWaalsContact O-N 3.12Å; S236-F239 WeakPolarHBondContact O-CB 3.24Å; S236-F239 WeakPolarHBondContact O-CG 3.31Å; S236-F239 PolarHBondContact O-N 3.48Å; S236-S292 WeakPolarHBondContact OG-CA 3.45Å; S236-I293 PolarHBondContact OG-N 3.49Å
237	C	96.5	Very high	95.1	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.007	14%	0.141	C	C	.	.	H	α-helix	trans	-57.9	-26.7	176.5	70.2	0	0	0	0	112.4	E235 F239 R289 S292	E235-C237 PolarHBondContact O-N 3.41Å; C237-F239 VanDerWaalsContact C-N 3.25Å; C237-F239 PolarHBondContact O-N 3.23Å; C237-R289 HydrophobicContact CB-CB 4.32Å; C237-S292 VanDerWaalsContact CB-OG 3.31Å; C237-S292 WeakPolarHBondContact CB-OG 3.29Å; C237-S292 PolarHBondContact SG-OG 2.85Å
238	S	96.4	Very high	95.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-67.9	-22.7	177.3	65.4	0	0	0	0	113.9	S233 E235 S236	S233-S238 WeakPolarHBondContact CB-OG 3.43Å; S233-S238 PolarHBondContact OG-OG 2.91Å; E235-S238 PolarHBondContact O-N 3.37Å; E235-S238 PolarHBondContact O-OG 3.2Å; S236-S238 PolarHBondContact O-N 3.01Å; S236-S238 VanDerWaalsContact O-N 3.12Å
239	F	96.2	Very high	95.3	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.018	13%	0.131	C	C	.	.	H	α-helix	trans	-71.5	-38.5	-174.7	-60	-23	0	0	0	112.3	V231 S236 C237 S241 I242 G243 A244 Y246	V231-F239 HydrophobicContact CB-CE1 4.5Å; V231-F239 HydrophobicContact CG2-CD1 3.74Å; V231-F239 HydrophobicContact CG2-CE1 3.73Å; S236-F239 WeakPolarHBondContact O-CB 3.24Å; S236-F239 WeakPolarHBondContact O-CG 3.31Å; S236-F239 PolarHBondContact O-N 3.48Å; C237-F239 VanDerWaalsContact C-N 3.25Å; C237-F239 PolarHBondContact O-N 3.23Å; F239-S241 VanDerWaalsContact C-N 3.31Å; F239-S241 PolarHBondContact O-N 3Å; F239-I242 VanDerWaalsContact O-CG1 3.25Å; F239-I242 WeakPolarHBondContact O-CG1 3.4Å; F239-I242 PolarHBondContact O-N 3.16Å; F239-G243 PolarHBondContact O-N 2.78Å; F239-A244 CarbonylContact C-O 3.44Å; F239-A244 HydrophobicContact CB-CB 3.78Å; F239-A244 WeakPolarHBondContact CB-O 3.42Å; F239-A244 HydrophobicContact CD1-CB 4.36Å; F239-A244 HydrophobicContact CG-CB 4.25Å; F239-A244 PolarHBondContact O-N 2.95Å; F239-Y246 HydrophobicContact CD2-CD2 4.23Å; F239-Y246 AromaticContact CE2-CD2 3.91Å; F239-Y246 HydrophobicContact CE2-CD2 3.91Å
240	Q	88.3	Confident	95.4	Very high	139 Å²	139	27.5 Å²	27.5	65%	0.65	13%	0.131	S	C	*	.	H	α-helix	trans	-62.4	-39.4	-179.1	-66.4	-177.3	-10	0	0	112	I242 G243	Q240-I242 PolarHBondContact O-N 3.4Å; Q240-I242 VanDerWaalsContact O-N 3.17Å; Q240-G243 PolarHBondContact O-N 3.03Å
241	S	86.6	Confident	95.3	Very high	65 Å²	65	29.7 Å²	29.7	46%	0.455	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-16.8	-178	-56.8	0	0	0	0	114.3	F239	F239-S241 VanDerWaalsContact C-N 3.31Å; F239-S241 PolarHBondContact O-N 3Å
242	I	92	Very high	95.2	Very high	23 Å²	23	31.4 Å²	31.4	12%	0.118	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	7	-177.2	63.4	178.2	0	0	0	112.9	F15 V32 L35 L211 V231 F239 Q240 A244	F15-I242 HydrophobicContact CE1-CD1 4.45Å; F15-I242 HydrophobicContact CE2-CD1 3.87Å; F15-I242 HydrophobicContact CZ-CD1 3.37Å; V32-I242 HydrophobicContact CG1-CB 4.47Å; V32-I242 HydrophobicContact CG1-CD1 4.01Å; L35-I242 HydrophobicContact CB-CG2 3.53Å; L35-I242 HydrophobicContact CD1-CG2 4.42Å; L211-I242 HydrophobicContact CD2-CB 4.27Å; L211-I242 HydrophobicContact CD2-CD1 4.06Å; L211-I242 HydrophobicContact CD2-CG1 3.97Å; L211-I242 WeakPolarHBondContact CD2-O 3.24Å; V231-I242 HydrophobicContact CB-CD1 4.4Å; V231-I242 HydrophobicContact CG1-CD1 3.94Å; V231-I242 HydrophobicContact CG2-CD1 4.24Å; F239-I242 VanDerWaalsContact O-CG1 3.25Å; F239-I242 WeakPolarHBondContact O-CG1 3.4Å; F239-I242 PolarHBondContact O-N 3.16Å; Q240-I242 PolarHBondContact O-N 3.4Å; Q240-I242 VanDerWaalsContact O-N 3.17Å; I242-A244 VanDerWaalsContact C-N 3.35Å; I242-A244 HydrophobicContact CD1-CB 4.09Å; I242-A244 HydrophobicContact CG1-CB 3.9Å
243	G	90.6	Very high	95.1	Very high	9 Å²	9	31.3 Å²	31.3	9%	0.093	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	28.7	-177.2	0	0	0	0	0	114.1	L217 F239 Q240	L217-G243 WeakPolarHBondContact CD1-O 3.46Å; F239-G243 PolarHBondContact O-N 2.78Å; Q240-G243 PolarHBondContact O-N 3.03Å
244	A	94.8	Very high	95.1	Very high	6 Å²	6	31.5 Å²	31.5	5%	0.05	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	141.6	172.5	0	0	0	0	0	111.9	R210 L211 V231 F239 I242	R210-A244 CarbonylContact O-C 3.22Å; R210-A244 WeakPolarHBondContact O-CA 3.35Å; L211-A244 HydrophobicContact CD2-CB 3.92Å; L211-A244 HydrophobicContact CG-CB 4.35Å; V231-A244 HydrophobicContact CG2-CB 3.71Å; F239-A244 CarbonylContact C-O 3.44Å; F239-A244 HydrophobicContact CB-CB 3.78Å; F239-A244 WeakPolarHBondContact CB-O 3.42Å; F239-A244 HydrophobicContact CD1-CB 4.36Å; F239-A244 HydrophobicContact CG-CB 4.25Å; F239-A244 PolarHBondContact O-N 2.95Å; I242-A244 VanDerWaalsContact C-N 3.35Å; I242-A244 HydrophobicContact CD1-CB 4.09Å; I242-A244 HydrophobicContact CG1-CB 3.9Å
245	K	93.8	Very high	95.1	Very high	49 Å²	49	31.5 Å²	31.5	21%	0.213	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	136.9	168	-70.3	-175.1	173	177.2	0	109.9	G209 R210 V212 R216 L217 S219 Y247	G209-K245 CarbonylContact C-O 3.46Å; G209-K245 WeakPolarHBondContact CA-O 2.92Å; R210-K245 PolarHBondContact N-O 3Å; R210-K245 PolarHBondContact O-N 3.48Å; V212-K245 HydrophobicContact CG2-CD 4.17Å; V212-K245 HydrophobicContact CG2-CG 4.08Å; R216-K245 WeakPolarHBondContact O-CE 3.21Å; R216-K245 PolarHBondContact O-NZ 3.46Å; L217-K245 VanDerWaalsContact C-CE 3.49Å; L217-K245 HydrophobicContact CD1-CG 4.08Å; L217-K245 WeakPolarHBondContact O-CE 3.37Å; L217-K245 PolarHBondContact O-NZ 2.95Å; S219-K245 PolarHBondContact O-NZ 3.46Å; K245-Y247 PolarHBondContact O-N 3.21Å
246	Y	94.8	Very high	95.2	Very high	87 Å²	87	31.5 Å²	31.5	34%	0.341	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	131.4	169.7	178.6	-95.4	0	0	0	110.1	F239 E249	F239-Y246 HydrophobicContact CD2-CD2 4.23Å; F239-Y246 AromaticContact CE2-CD2 3.91Å; F239-Y246 HydrophobicContact CE2-CD2 3.91Å; Y246-E249 WeakPolarHBondContact OH-CG 3.38Å; Y246-E249 PolarHBondContact OH-N 3.3Å
247	Y	95.2	Very high	95.2	Very high	90 Å²	90	33.4 Å²	33.4	35%	0.353	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	-62.9	177.7	-177.3	-118.2	0	0	0	110.4	I208 E224 W230 K245	I208-Y247 HydrophobicContact CB-CD1 4.43Å; I208-Y247 HydrophobicContact CG2-CD1 4.03Å; I208-Y247 WeakPolarHBondContact O-CA 3.23Å; I208-Y247 WeakPolarHBondContact O-CB 3.22Å; I208-Y247 PolarHBondContact O-N 3.04Å; E224-Y247 PolarHBondContact OE1-OH 3.27Å; W230-Y247 HydrophobicContact CH2-CE1 4.41Å; W230-Y247 HydrophobicContact CH2-CE2 4.3Å; W230-Y247 AromaticContact CZ3-CD1 3.84Å; W230-Y247 HydrophobicContact CZ3-CD1 3.84Å; W230-Y247 HydrophobicContact CZ3-CD2 4.19Å; W230-Y247 AromaticContact CZ3-CE1 3.99Å; W230-Y247 HydrophobicContact CZ3-CE1 3.99Å; W230-Y247 HydrophobicContact CZ3-CE2 4.3Å; W230-Y247 AromaticContact CZ3-CG 3.96Å; W230-Y247 HydrophobicContact CZ3-CG 3.96Å; K245-Y247 PolarHBondContact O-N 3.21Å
248	R	95.4	Very high	95.3	Very high	60 Å²	60	33.4 Å²	33.4	23%	0.226	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	168.5	175.7	65.1	177.3	-175.5	89.4	-14.4	112	I208 E254	I208-R248 PolarHBondContact N-O 3.4Å; I208-R248 PolarHBondContact O-N 3.2Å; R248-E254 IonicContact CZ-OE1 3.52Å; R248-E254 IonicContact CZ-OE2 3.73Å; R248-E254 IonicContact NH1-OE1 3.41Å; R248-E254 PolarHBondContact NH1-OE1 3.35Å; R248-E254 IonicContact NH1-OE2 2.73Å; R248-E254 PolarHBondContact NH1-OE2 2.65Å; R248-E254 IonicContact NH2-OE1 3.47Å; R248-E254 PolarHBondContact NH2-OE1 2.7Å; R248-E254 IonicContact NH2-OE2 3.62Å
249	E	96.9	Very high	95.4	Very high	25 Å²	25	34 Å²	34	12%	0.117	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	152.4	163.8	-79.4	172	99.7	0	0	112.5	R198 Y246 E295	R198-E249 IonicContact NH1-OE1 3.32Å; Y246-E249 WeakPolarHBondContact OH-CG 3.38Å; Y246-E249 PolarHBondContact OH-N 3.3Å; E249-E295 VanDerWaalsContact CD-N 3.34Å; E249-E295 PolarHBondContact OE1-N 2.73Å; E249-E295 WeakPolarHBondContact OE2-CA 3.28Å; E249-E295 PolarHBondContact OE2-N 2.83Å
250	V	98.2	Very high	95.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-76.3	126.7	161.4	-176.9	0	0	0	0	107.7	A196 R198 L206 I208 E254 V256	A196-V250 HydrophobicContact CB-CG2 4.29Å; R198-V250 HydrophobicContact CB-CG1 3.92Å; R198-V250 WeakPolarHBondContact CD-O 3.23Å; R198-V250 PolarHBondContact NH1-O 2.9Å; L206-V250 HydrophobicContact CB-CB 4.13Å; L206-V250 HydrophobicContact CB-CG2 4.19Å; L206-V250 HydrophobicContact CD2-CB 4.18Å; L206-V250 HydrophobicContact CD2-CG1 4.37Å; L206-V250 HydrophobicContact CD2-CG2 3.88Å; L206-V250 HydrophobicContact CG-CB 4.29Å; L206-V250 HydrophobicContact CG-CG2 3.86Å; L206-V250 PolarHBondContact O-N 2.81Å; I208-V250 HydrophobicContact CD1-CG2 3.93Å; I208-V250 HydrophobicContact CG1-CG2 3.91Å; V250-E254 WeakPolarHBondContact CA-OE2 3.48Å; V250-E254 HydrophobicContact CG1-CB 3.92Å; V250-E254 HydrophobicContact CG1-CG 4.49Å; V250-V256 HydrophobicContact CG1-CG2 4.04Å; V250-V256 HydrophobicContact CG2-CG2 4.41Å
251	L	96.8	Very high	95.7	Very high	54 Å²	54	38.8 Å²	38.8	28%	0.283	18%	0.183	S	C	.	.	P	Polyproline II helix	trans	-73.1	154.6	-176	-56.7	178.9	0	0	0	111	G253 E254 I268 K485	L251-G253 PolarHBondContact O-N 3.14Å; L251-E254 HydrophobicContact CB-CB 3.94Å; L251-E254 PolarHBondContact N-OE2 3.26Å; L251-E254 WeakPolarHBondContact O-CB 3.14Å; L251-E254 PolarHBondContact O-N 3.13Å; L251-I268 HydrophobicContact CD1-CD1 4.35Å; L251-K485 VanDerWaalsContact CD2-NZ 3.31Å
252	P	96.4	Very high	96.1	Very high	36 Å²	36	36.3 Å²	36.3	23%	0.234	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	128.6	170.7	-25.3	34.3	0	0	0	111.3	P200 E254	P200-P252 VanDerWaalsContact O-CB 3.29Å; P200-P252 WeakPolarHBondContact O-CB 3.46Å; P252-E254 PolarHBondContact O-N 3.46Å
253	G	96.8	Very high	96.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	-0	-177.2	0	0	0	0	0	115.5	M177 R198 D199 L251 I268 V269	M177-G253 WeakPolarHBondContact CE-O 3.43Å; R198-G253 VanDerWaalsContact O-CA 3.29Å; R198-G253 WeakPolarHBondContact O-CA 3.46Å; R198-G253 PolarHBondContact O-N 3.42Å; D199-G253 PolarHBondContact O-N 3.35Å; L251-G253 PolarHBondContact O-N 3.14Å; G253-I268 CarbonylContact O-C 3.47Å; G253-I268 WeakPolarHBondContact O-CA 3.12Å; G253-V269 WeakPolarHBondContact CA-O 3.27Å; G253-V269 PolarHBondContact O-N 3.45Å
254	E	98.1	Very high	96.7	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.019	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	136.6	-174.7	-165.8	-174.7	-168.2	0	0	112.3	V197 R198 R248 V250 L251 P252 V256 S265 S267 I268	V197-E254 WeakPolarHBondContact CA-O 3.44Å; R198-E254 PolarHBondContact N-O 3.41Å; R248-E254 IonicContact CZ-OE1 3.52Å; R248-E254 IonicContact CZ-OE2 3.73Å; R248-E254 IonicContact NH1-OE1 3.41Å; R248-E254 PolarHBondContact NH1-OE1 3.35Å; R248-E254 IonicContact NH1-OE2 2.73Å; R248-E254 PolarHBondContact NH1-OE2 2.65Å; R248-E254 IonicContact NH2-OE1 3.47Å; R248-E254 PolarHBondContact NH2-OE1 2.7Å; R248-E254 IonicContact NH2-OE2 3.62Å; V250-E254 WeakPolarHBondContact CA-OE2 3.48Å; V250-E254 HydrophobicContact CG1-CB 3.92Å; V250-E254 HydrophobicContact CG1-CG 4.49Å; L251-E254 HydrophobicContact CB-CB 3.94Å; L251-E254 PolarHBondContact N-OE2 3.26Å; L251-E254 WeakPolarHBondContact O-CB 3.14Å; L251-E254 PolarHBondContact O-N 3.13Å; P252-E254 PolarHBondContact O-N 3.46Å; E254-V256 HydrophobicContact CB-CG2 4.48Å; E254-V256 HydrophobicContact CG-CG2 3.59Å; E254-V256 WeakPolarHBondContact OE1-CG2 3.32Å; E254-V256 WeakPolarHBondContact OE2-CG2 3.5Å; E254-S265 WeakPolarHBondContact CG-OG 3.3Å; E254-S265 WeakPolarHBondContact OE1-CB 3.41Å; E254-S265 PolarHBondContact OE1-OG 2.66Å; E254-S267 WeakPolarHBondContact CA-O 3.32Å; E254-I268 HydrophobicContact CB-CG1 4.37Å; E254-I268 HydrophobicContact CG-CG1 4.26Å
255	I	98.6	Very high	96.8	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	108	168	-54.3	172.3	0	0	0	107.2	V170 I173 K174 M177 Y195 V197 L266 S267 V269	V170-I255 HydrophobicContact CG1-CD1 4.26Å; I173-I255 HydrophobicContact CB-CD1 4.04Å; I173-I255 HydrophobicContact CD1-CG2 4.14Å; I173-I255 HydrophobicContact CG2-CD1 3.52Å; I173-I255 HydrophobicContact CG2-CG1 3.74Å; I173-I255 HydrophobicContact CG2-CG2 4.27Å; K174-I255 HydrophobicContact CG-CD1 3.78Å; M177-I255 HydrophobicContact SD-CD1 3.99Å; M177-I255 HydrophobicContact SD-CG1 3.85Å; Y195-I255 HydrophobicContact CD1-CG2 4.39Å; V197-I255 HydrophobicContact CG1-CG1 4.41Å; V197-I255 HydrophobicContact CG2-CG2 4.33Å; I255-L266 PolarHBondContact O-N 3.09Å; I255-S267 PolarHBondContact N-O 2.85Å; I255-V269 HydrophobicContact CD1-CG2 4.48Å
256	V	98.7	Very high	97	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	129.5	178.9	-178.2	0	0	0	0	109.7	Y195 A196 I208 V250 E254 I258 V263	Y195-V256 CarbonylContact C-O 3.55Å; Y195-V256 VanDerWaalsContact CA-O 3.23Å; Y195-V256 WeakPolarHBondContact CA-O 3.42Å; A196-V256 HydrophobicContact CB-CB 4.3Å; A196-V256 PolarHBondContact N-O 2.69Å; A196-V256 PolarHBondContact O-N 3.1Å; I208-V256 HydrophobicContact CD1-CB 4.44Å; I208-V256 HydrophobicContact CD1-CG1 3.8Å; I208-V256 HydrophobicContact CD1-CG2 4.44Å; V250-V256 HydrophobicContact CG1-CG2 4.04Å; V250-V256 HydrophobicContact CG2-CG2 4.41Å; E254-V256 HydrophobicContact CB-CG2 4.48Å; E254-V256 HydrophobicContact CG-CG2 3.59Å; E254-V256 WeakPolarHBondContact OE1-CG2 3.32Å; E254-V256 WeakPolarHBondContact OE2-CG2 3.5Å; V256-I258 HydrophobicContact CG1-CG1 4.17Å; V256-V263 HydrophobicContact CG1-CG1 3.4Å
257	Q	98.6	Very high	97.1	Very high	49 Å²	49	42 Å²	42	23%	0.229	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	129	168	-176.7	-176.6	-65.4	0	0	110	V193 Y195 V263 K264 L266	V193-Q257 HydrophobicContact CB-CG 4.01Å; V193-Q257 HydrophobicContact CG1-CG 4.05Å; V193-Q257 HydrophobicContact CG2-CG 4.43Å; Y195-Q257 HydrophobicContact CD1-CB 4.08Å; Y195-Q257 HydrophobicContact CD1-CG 4.33Å; Y195-Q257 HydrophobicContact CE1-CB 4Å; Y195-Q257 HydrophobicContact CE1-CG 3.96Å; Q257-V263 WeakPolarHBondContact O-CA 3.37Å; Q257-K264 PolarHBondContact N-O 3.41Å; Q257-K264 PolarHBondContact O-N 2.76Å; Q257-L266 HydrophobicContact CB-CD1 3.64Å; Q257-L266 HydrophobicContact CB-CD2 4.36Å; Q257-L266 HydrophobicContact CB-CG 3.9Å; Q257-L266 HydrophobicContact CG-CD1 4.48Å
258	I	98.6	Very high	97.1	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124.9	174.8	-50.4	179.5	0	0	0	107.5	V18 V193 I194 A196 I208 W230 V232 V256 V263	V18-I258 HydrophobicContact CB-CG2 4.08Å; V18-I258 HydrophobicContact CG2-CB 4.28Å; V18-I258 HydrophobicContact CG2-CG2 3.77Å; V193-I258 WeakPolarHBondContact CA-O 3.47Å; I194-I258 PolarHBondContact N-O 3.05Å; I194-I258 PolarHBondContact O-N 2.95Å; A196-I258 HydrophobicContact CB-CD1 4.25Å; I208-I258 HydrophobicContact CD1-CD1 4.44Å; W230-I258 HydrophobicContact CB-CG2 3.47Å; W230-I258 VanDerWaalsContact CB-CG2 3.47Å; W230-I258 HydrophobicContact CG-CG2 4.16Å; V232-I258 HydrophobicContact CB-CD1 3.78Å; V232-I258 HydrophobicContact CG1-CD1 3.89Å; V232-I258 HydrophobicContact CG2-CD1 4.5Å; V256-I258 HydrophobicContact CG1-CG1 4.17Å; I258-V263 HydrophobicContact CG1-CG2 4.31Å; I258-V263 HydrophobicContact CG2-CG2 4.27Å
259	S	97.5	Very high	97.1	Very high	12 Å²	12	40.1 Å²	40.1	8%	0.084	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	174.3	-179.4	72	0	0	0	0	110.4	F261 G262	S259-F261 PolarHBondContact O-N 3.1Å; S259-F261 PolarHBondContact OG-N 2.82Å; S259-G262 PolarHBondContact N-O 2.97Å; S259-G262 PolarHBondContact O-N 3.48Å; S259-G262 PolarHBondContact OG-O 2.73Å
260	R	95.9	Very high	96.9	Very high	84 Å²	84	43.9 Å²	43.9	32%	0.317	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-17.6	173.2	74.2	-174.7	-157.5	166	6.9	114.4	A19 A20 G21 W23	A19-R260 WeakPolarHBondContact O-CA 3.4Å; A19-R260 WeakPolarHBondContact O-CB 3.42Å; A20-R260 WeakPolarHBondContact CA-O 3.17Å; G21-R260 PolarHBondContact N-O 3.33Å; G21-R260 VanDerWaalsContact N-O 3.12Å; G21-R260 WeakPolarHBondContact O-CD 3.36Å; W23-R260 HydrophobicContact CH2-CB 4.38Å; W23-R260 HydrophobicContact CZ2-CB 3.64Å
261	F	95	Very high	96.7	Very high	161 Å²	161	46.9 Å²	46.9	71%	0.706	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-7.4	179.5	-54.7	-68.7	0	0	0	113.5	S259	S259-F261 PolarHBondContact O-N 3.1Å; S259-F261 PolarHBondContact OG-N 2.82Å
262	G	95.3	Very high	96.4	Very high	12 Å²	12	47.9 Å²	47.9	12%	0.124	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	130.7	-167.7	-176.9	0	0	0	0	0	114.5	S259	S259-G262 PolarHBondContact N-O 2.97Å; S259-G262 PolarHBondContact O-N 3.48Å; S259-G262 PolarHBondContact OG-O 2.73Å
263	V	97.3	Very high	96	Very high	31 Å²	31	55.8 Å²	55.8	19%	0.188	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129.8	-176.6	177.5	0	0	0	0	109.4	I208 W230 V256 Q257 I258	I208-V263 HydrophobicContact CD1-CG1 3.88Å; I208-V263 HydrophobicContact CG2-CG2 4.11Å; W230-V263 HydrophobicContact CB-CG2 4.45Å; W230-V263 HydrophobicContact CD2-CG2 3.5Å; W230-V263 VanDerWaalsContact CD2-CG2 3.5Å; W230-V263 HydrophobicContact CE3-CB 4.43Å; W230-V263 HydrophobicContact CE3-CG2 3.23Å; W230-V263 HydrophobicContact CG-CG2 4.03Å; W230-V263 HydrophobicContact CH2-CG2 4.12Å; W230-V263 HydrophobicContact CZ2-CG2 4.38Å; W230-V263 HydrophobicContact CZ3-CB 4.34Å; W230-V263 HydrophobicContact CZ3-CG2 3.55Å; V256-V263 HydrophobicContact CG1-CG1 3.4Å; Q257-V263 WeakPolarHBondContact O-CA 3.37Å; I258-V263 HydrophobicContact CG1-CG2 4.31Å; I258-V263 HydrophobicContact CG2-CG2 4.27Å
264	K	97.9	Very high	95.5	Very high	135 Å²	135	59.3 Å²	59.3	59%	0.587	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.4	126.4	178.7	-172.9	179.5	175.5	-177.2	0	110.7	Q257 L266	Q257-K264 PolarHBondContact N-O 3.41Å; Q257-K264 PolarHBondContact O-N 2.76Å; K264-L266 HydrophobicContact CB-CD2 4.45Å; K264-L266 HydrophobicContact CD-CD2 3.75Å; K264-L266 HydrophobicContact CG-CD2 3.93Å; K264-L266 PolarHBondContact O-N 3.47Å
265	S	97.9	Very high	95.2	Very high	54 Å²	54	61.9 Å²	61.9	38%	0.378	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	121.5	167.2	-163.9	0	0	0	0	108.9	E254	E254-S265 WeakPolarHBondContact CG-OG 3.3Å; E254-S265 WeakPolarHBondContact OE1-CB 3.41Å; E254-S265 PolarHBondContact OE1-OG 2.66Å
266	L	97.5	Very high	95	Very high	50 Å²	50	66.3 Å²	66.3	26%	0.262	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-36.3	-177.6	-63.4	-173.3	0	0	0	112.2	V170 Y195 I255 Q257 K264	V170-L266 HydrophobicContact CG2-CB 4.29Å; V170-L266 HydrophobicContact CG2-CD1 3.53Å; Y195-L266 HydrophobicContact CD1-CD1 4.28Å; Y195-L266 HydrophobicContact CE1-CD1 3.8Å; I255-L266 PolarHBondContact O-N 3.09Å; Q257-L266 HydrophobicContact CB-CD1 3.64Å; Q257-L266 HydrophobicContact CB-CD2 4.36Å; Q257-L266 HydrophobicContact CB-CG 3.9Å; Q257-L266 HydrophobicContact CG-CD1 4.48Å; K264-L266 HydrophobicContact CB-CD2 4.45Å; K264-L266 HydrophobicContact CD-CD2 3.75Å; K264-L266 HydrophobicContact CG-CD2 3.93Å; K264-L266 PolarHBondContact O-N 3.47Å
267	S	96.4	Very high	94.8	Very high	25 Å²	25	67.1 Å²	67.1	18%	0.175	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	162.2	178.9	-150.1	0	0	0	0	112.1	K174 E254 I255	K174-S267 VanDerWaalsContact CE-CB 3.41Å; K174-S267 WeakPolarHBondContact CE-OG 3.26Å; K174-S267 PolarHBondContact NZ-OG 3.19Å; E254-S267 WeakPolarHBondContact CA-O 3.32Å; I255-S267 PolarHBondContact N-O 2.85Å
268	I	95.8	Very high	94.6	Very high	91 Å²	91	65 Å²	65	47%	0.467	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	116.4	168.5	-61.5	176.5	0	0	0	106.7	L251 G253 E254	L251-I268 HydrophobicContact CD1-CD1 4.35Å; G253-I268 CarbonylContact O-C 3.47Å; G253-I268 WeakPolarHBondContact O-CA 3.12Å; E254-I268 HydrophobicContact CB-CG1 4.37Å; E254-I268 HydrophobicContact CG-CG1 4.26Å
269	V	95.3	Very high	94.6	Very high	19 Å²	19	65.1 Å²	65.1	12%	0.115	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-81.5	119.8	171.9	179.6	0	0	0	0	108	K174 M177 P200 G253 I255	K174-V269 HydrophobicContact CB-CG2 4.5Å; K174-V269 HydrophobicContact CG-CG2 3.9Å; M177-V269 HydrophobicContact CB-CG1 4.38Å; M177-V269 HydrophobicContact CB-CG2 4.35Å; M177-V269 HydrophobicContact CE-CB 3.88Å; M177-V269 HydrophobicContact CE-CG2 3.97Å; M177-V269 HydrophobicContact SD-CB 4.26Å; M177-V269 HydrophobicContact SD-CG2 3.68Å; P200-V269 HydrophobicContact CG-CG1 4.17Å; G253-V269 WeakPolarHBondContact CA-O 3.27Å; G253-V269 PolarHBondContact O-N 3.45Å; I255-V269 HydrophobicContact CD1-CG2 4.48Å
270	P	93.5	Very high	94.6	Very high	104 Å²	104	64.8 Å²	64.8	68%	0.675	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-70.6	154.8	-178.3	31	-35.2	0	0	0	111.1
271	R	92.9	Very high	94.6	Very high	63 Å²	63	60.8 Å²	60.8	24%	0.238	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-73.1	164.6	163	-69.8	178.1	-63.1	-75.1	0.3	110.4	P200 Y201 D275	P200-R271 HydrophobicContact CB-CG 3.82Å; P200-R271 WeakPolarHBondContact O-CD 3.42Å; P200-R271 WeakPolarHBondContact O-CG 3.33Å; P200-R271 PolarHBondContact O-NH1 3.37Å; Y201-R271 HydrophobicContact CD1-CG 4.49Å; Y201-R271 HydrophobicContact CG-CG 4.47Å; R271-D275 PolarHBondContact NE-O 2.8Å
272	P	90.4	Very high	94.7	Very high	75 Å²	75	53.2 Å²	53.2	49%	0.487	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-50.1	144.4	163.3	-26.1	36.3	0	0	0	112.1	G274 D275	P272-G274 PolarHBondContact O-N 3.19Å; P272-D275 PolarHBondContact O-N 2.99Å
273	E	88.2	Confident	94.7	Very high	202 Å²	202	52.6 Å²	52.6	94%	0.944	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	132.1	-178.3	-172.1	176.7	-178.3	0	0	111	D275	E273-D275 VanDerWaalsContact C-N 3.35Å
274	G	86	Confident	94.7	Very high	74 Å²	74	51.2 Å²	51.2	76%	0.763	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	-11	-177.8	0	0	0	0	0	114.8	P272	P272-G274 PolarHBondContact O-N 3.19Å
275	D	92.4	Very high	94.6	Very high	57 Å²	57	45.2 Å²	45.2	31%	0.305	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-85.5	127.1	179	-76.7	2.4	0	0	0	112.5	Y201 R271 P272 E273	Y201-D275 HydrophobicContact CE1-CB 3.96Å; Y201-D275 PolarHBondContact OH-OD2 3.38Å; R271-D275 PolarHBondContact NE-O 2.8Å; P272-D275 PolarHBondContact O-N 2.99Å; E273-D275 VanDerWaalsContact C-N 3.35Å
276	L	93.3	Very high	94.3	Very high	93 Å²	93	46.1 Å²	46.1	49%	0.487	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-70.9	156.7	171.9	-63.8	175.8	0	0	0	111.1	E486	L276-E486 HydrophobicContact CD2-CB 3.93Å; L276-E486 HydrophobicContact CD2-CG 4.32Å
277	P	94.2	Very high	93.9	Very high	17 Å²	17	44.3 Å²	44.3	11%	0.11	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-51.2	151.8	162.2	-23.9	34.7	0	0	0	111.2	E486 G488	P277-E486 WeakPolarHBondContact CG-O 3.49Å; P277-G488 CarbonylContact C-O 3.31Å; P277-G488 CarbonylContact O-C 3.57Å; P277-G488 WeakPolarHBondContact O-CA 3.49Å; P277-G488 VanDerWaalsContact O-O 3.08Å
278	A	96.3	Very high	93.9	Very high	5 Å²	5	43.2 Å²	43.2	4%	0.041	24%	0.243	C	C	.	.			trans	-132.7	52.3	-178.9	0	0	0	0	0	110.7	Y201 N203 C280 C490 P499	Y201-A278 HydrophobicContact CD1-CB 3.95Å; Y201-A278 HydrophobicContact CG-CB 4.42Å; Y201-A278 PolarHBondContact O-N 2.89Å; N203-A278 WeakPolarHBondContact CA-O 2.91Å; N203-A278 PolarHBondContact ND2-O 3Å; A278-C280 PolarHBondContact O-N 3.4Å; A278-C490 HydrophobicContact CB-CB 4.03Å; A278-C490 VanDerWaalsContact O-CB 3.3Å; A278-C490 WeakPolarHBondContact O-CB 3.44Å; A278-P499 HydrophobicContact CB-CB 3.71Å; A278-P499 HydrophobicContact CB-CG 4.06Å
279	F	97.2	Very high	93.8	Very high	3 Å²	3	42.2 Å²	42.2	1%	0.013	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	135.3	175.6	-176.5	-119	0	0	0	110.3	G202 N203 P205 I281 E283 Y284 F294 E295 G488 H489 C490	G202-F279 WeakPolarHBondContact O-CD2 3.22Å; N203-F279 WeakPolarHBondContact O-CD2 3.27Å; P205-F279 HydrophobicContact CB-CE2 3.88Å; P205-F279 HydrophobicContact CB-CZ 4.13Å; F279-I281 PolarHBondContact O-N 3.36Å; F279-E283 HydrophobicContact CE1-CB 4.14Å; F279-E283 HydrophobicContact CZ-CB 3.95Å; F279-E283 HydrophobicContact CZ-CG 4.13Å; F279-Y284 HydrophobicContact CD1-CD2 4.42Å; F279-Y284 AromaticContact CD1-CE2 3.74Å; F279-Y284 HydrophobicContact CD1-CE2 3.74Å; F279-Y284 HydrophobicContact CE1-CD2 4.19Å; F279-Y284 AromaticContact CE1-CE2 3.62Å; F279-Y284 HydrophobicContact CE1-CE2 3.62Å; F279-F294 HydrophobicContact CE1-CB 3.96Å; F279-F294 AromaticContact CE1-CD2 3.91Å; F279-F294 HydrophobicContact CE1-CD2 3.91Å; F279-F294 HydrophobicContact CE1-CG 4.07Å; F279-F294 HydrophobicContact CZ-CB 3.99Å; F279-F294 HydrophobicContact CZ-CD1 4.19Å; F279-F294 AromaticContact CZ-CD2 3.69Å; F279-F294 HydrophobicContact CZ-CD2 3.69Å; F279-F294 HydrophobicContact CZ-CE2 4.12Å; F279-F294 AromaticContact CZ-CG 3.71Å; F279-F294 HydrophobicContact CZ-CG 3.71Å; F279-E295 WeakPolarHBondContact CD1-OE2 3.13Å; F279-G488 PolarHBondContact N-O 2.99Å; F279-H489 CarbonylContact O-C 2.88Å; F279-H489 VanDerWaalsContact O-CA 3.27Å; F279-H489 WeakPolarHBondContact O-CA 3.2Å; F279-C490 PolarHBondContact O-N 3.37Å
280	C	97.4	Very high	93.8	Very high	6 Å²	6	43.2 Å²	43.2	4%	0.041	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	112.9	-175.1	-177.5	0	0	0	0	111.3	N203 A278 F282 E283 I430	N203-C280 WeakPolarHBondContact O-CB 3.41Å; N203-C280 PolarHBondContact O-N 3.49Å; A278-C280 PolarHBondContact O-N 3.4Å; C280-F282 PolarHBondContact O-N 3.49Å; C280-E283 HydrophobicContact CB-CG 3.98Å; C280-E283 WeakPolarHBondContact O-CB 3.31Å; C280-E283 PolarHBondContact O-N 3.24Å; C280-E283 VanDerWaalsContact O-N 3.15Å; C280-I430 WeakPolarHBondContact SG-CD1 3.23Å
281	I	97.3	Very high	93.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65.2	-24.3	-178.3	-154	163.7	0	0	0	112.4	F279 E283 Y284 V285 L465 V466 V469 H489 C490 T491 L494	F279-I281 PolarHBondContact O-N 3.36Å; I281-E283 PolarHBondContact O-N 3.46Å; I281-Y284 WeakPolarHBondContact O-CB 3.41Å; I281-Y284 PolarHBondContact O-N 3.3Å; I281-Y284 VanDerWaalsContact O-N 3.1Å; I281-V285 PolarHBondContact O-N 3.09Å; I281-L465 HydrophobicContact CD1-CD2 3.71Å; I281-L465 HydrophobicContact CD1-CG 3.74Å; I281-L465 HydrophobicContact CG1-CD2 4.05Å; I281-L465 HydrophobicContact CG1-CG 4.25Å; I281-L465 HydrophobicContact CG2-CD2 4.35Å; I281-V466 HydrophobicContact CD1-CG2 3.95Å; I281-V469 HydrophobicContact CD1-CG2 4.37Å; I281-V469 HydrophobicContact CG1-CG2 4.18Å; I281-H489 HydrophobicContact CB-CB 4.21Å; I281-H489 HydrophobicContact CD1-CB 4.12Å; I281-H489 HydrophobicContact CG1-CB 4.3Å; I281-C490 WeakPolarHBondContact CB-O 3.42Å; I281-C490 VanDerWaalsContact CG2-O 3.22Å; I281-C490 WeakPolarHBondContact CG2-O 3.38Å; I281-C490 PolarHBondContact N-O 3.34Å; I281-T491 HydrophobicContact CD1-CG2 3.89Å; I281-T491 HydrophobicContact CG2-CG2 4.33Å; I281-L494 HydrophobicContact CG2-CD1 4.31Å
282	F	95.4	Very high	94.1	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	21%	0.209	C	C	.	.	H	α-helix	trans	-70.8	-18	179.1	-105.3	-94.8	0	0	0	113.8	I8 C280 Y284 V285 Y286 F287 I422 I430 C493 L494	I8-F282 HydrophobicContact CD1-CD1 3.85Å; I8-F282 HydrophobicContact CD1-CE1 3.29Å; I8-F282 HydrophobicContact CD1-CZ 4.11Å; C280-F282 PolarHBondContact O-N 3.49Å; F282-Y284 PolarHBondContact O-N 2.87Å; F282-V285 HydrophobicContact CD1-CB 4.22Å; F282-V285 HydrophobicContact CD1-CG1 4.35Å; F282-V285 HydrophobicContact CE1-CB 4.39Å; F282-V285 HydrophobicContact CE1-CG1 4.05Å; F282-V285 HydrophobicContact CG-CB 4.44Å; F282-V285 HydrophobicContact CZ-CG1 4.41Å; F282-V285 PolarHBondContact O-N 3.28Å; F282-Y286 PolarHBondContact O-N 2.68Å; F282-F287 HydrophobicContact CB-CD2 4.01Å; F282-F287 HydrophobicContact CB-CE2 4.27Å; F282-F287 HydrophobicContact CD1-CD2 4.19Å; F282-F287 AromaticContact CD1-CE2 3.98Å; F282-F287 HydrophobicContact CD1-CE2 3.98Å; F282-F287 PolarHBondContact O-N 3.27Å; F282-F287 VanDerWaalsContact O-N 3.13Å; F282-I422 HydrophobicContact CE1-CD1 4.04Å; F282-I422 HydrophobicContact CE2-CG1 4.35Å; F282-I422 HydrophobicContact CZ-CD1 3.6Å; F282-I422 HydrophobicContact CZ-CG1 3.68Å; F282-I430 HydrophobicContact CB-CD1 3.47Å; F282-I430 VanDerWaalsContact CB-CD1 3.47Å; F282-I430 HydrophobicContact CG-CD1 4.18Å; F282-C493 WeakPolarHBondContact CD2-SG 3.43Å; F282-C493 WeakPolarHBondContact CE2-SG 3.48Å; F282-L494 HydrophobicContact CE2-CD2 3.85Å; F282-L494 HydrophobicContact CE2-CG 4.33Å; F282-L494 HydrophobicContact CZ-CD2 4.44Å
283	E	96.6	Very high	94.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.198	C	C	.	.	I	π-helix	trans	-59.2	-40	167.8	-68.7	-71.8	-174.6	0	0	110.6	R43 R204 P205 F279 C280 I281 F287 A288 F294	R43-E283 IonicContact CZ-OE1 3.43Å; R43-E283 IonicContact CZ-OE2 3.23Å; R43-E283 IonicContact NH1-OE1 3.66Å; R43-E283 PolarHBondContact NH1-OE1 3.39Å; R43-E283 IonicContact NH1-OE2 3.07Å; R43-E283 PolarHBondContact NH1-OE2 3.47Å; R43-E283 IonicContact NH2-OE1 2.73Å; R43-E283 PolarHBondContact NH2-OE1 2.61Å; R43-E283 IonicContact NH2-OE2 2.84Å; R43-E283 PolarHBondContact NH2-OE2 3.02Å; R204-E283 IonicContact NH1-OE1 3.35Å; P205-E283 WeakPolarHBondContact CD-OE1 3.36Å; P205-E283 HydrophobicContact CG-CG 4.46Å; F279-E283 HydrophobicContact CE1-CB 4.14Å; F279-E283 HydrophobicContact CZ-CB 3.95Å; F279-E283 HydrophobicContact CZ-CG 4.13Å; C280-E283 HydrophobicContact CB-CG 3.98Å; C280-E283 WeakPolarHBondContact O-CB 3.31Å; C280-E283 PolarHBondContact O-N 3.24Å; C280-E283 VanDerWaalsContact O-N 3.15Å; I281-E283 PolarHBondContact O-N 3.46Å; E283-F287 WeakPolarHBondContact OE2-CB 3.19Å; E283-A288 VanDerWaalsContact O-CB 3.24Å; E283-A288 WeakPolarHBondContact O-CB 3.37Å; E283-A288 PolarHBondContact O-N 2.71Å; E283-F294 HydrophobicContact CB-CD2 4.44Å; E283-F294 HydrophobicContact CB-CE2 3.93Å
284	Y	97.2	Very high	94.8	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.008	15%	0.153	C	C	.	.	I	π-helix	trans	-74.4	-40.1	173.7	-68.3	-65.7	0	0	0	113.3	F279 I281 F282 F294 E295 Q297 V299 V302 R303 V469	F279-Y284 HydrophobicContact CD1-CD2 4.42Å; F279-Y284 AromaticContact CD1-CE2 3.74Å; F279-Y284 HydrophobicContact CD1-CE2 3.74Å; F279-Y284 HydrophobicContact CE1-CD2 4.19Å; F279-Y284 AromaticContact CE1-CE2 3.62Å; F279-Y284 HydrophobicContact CE1-CE2 3.62Å; I281-Y284 WeakPolarHBondContact O-CB 3.41Å; I281-Y284 PolarHBondContact O-N 3.3Å; I281-Y284 VanDerWaalsContact O-N 3.1Å; F282-Y284 PolarHBondContact O-N 2.87Å; Y284-F294 HydrophobicContact CE1-CB 4.12Å; Y284-F294 HydrophobicContact CE1-CD2 4.15Å; Y284-F294 PolarHBondContact OH-O 3.15Å; Y284-E295 VanDerWaalsContact CE2-OE2 3.28Å; Y284-E295 WeakPolarHBondContact CE2-OE2 3.16Å; Y284-E295 PolarHBondContact OH-OE2 2.93Å; Y284-Q297 HydrophobicContact CE1-CG 4.25Å; Y284-Q297 PolarHBondContact OH-NE2 2.88Å; Y284-Q297 VanDerWaalsContact OH-NE2 3.17Å; Y284-V299 HydrophobicContact CD1-CG2 4.12Å; Y284-V299 HydrophobicContact CE1-CG2 4.4Å; Y284-V302 HydrophobicContact CD1-CB 3.91Å; Y284-V302 HydrophobicContact CD1-CG1 3.81Å; Y284-V302 HydrophobicContact CD1-CG2 3.68Å; Y284-V302 HydrophobicContact CE1-CB 4.44Å; Y284-V302 HydrophobicContact CE1-CG2 3.71Å; Y284-V302 HydrophobicContact CG-CG1 3.94Å; Y284-R303 VanDerWaalsContact O-CG 3.3Å; Y284-R303 WeakPolarHBondContact O-CG 3.36Å; Y284-R303 PolarHBondContact O-NE 2.94Å; Y284-V469 HydrophobicContact CD2-CG1 3.66Å; Y284-V469 HydrophobicContact CD2-CG2 4.13Å; Y284-V469 HydrophobicContact CE2-CG1 3.53Å; Y284-V469 HydrophobicContact CG-CG1 4.45Å; Y284-V469 HydrophobicContact CG-CG2 4.38Å
285	V	94.9	Very high	95.2	Very high	9 Å²	9	25.1 Å²	25.1	6%	0.055	13%	0.126	C	C	.	.	I	π-helix	trans	-65.8	-49.8	-176	176.1	0	0	0	0	111.5	I281 F282 R303 L465	I281-V285 PolarHBondContact O-N 3.09Å; F282-V285 HydrophobicContact CD1-CB 4.22Å; F282-V285 HydrophobicContact CD1-CG1 4.35Å; F282-V285 HydrophobicContact CE1-CB 4.39Å; F282-V285 HydrophobicContact CE1-CG1 4.05Å; F282-V285 HydrophobicContact CG-CB 4.44Å; F282-V285 HydrophobicContact CZ-CG1 4.41Å; F282-V285 PolarHBondContact O-N 3.28Å; V285-R303 PolarHBondContact O-NE 3.05Å; V285-L465 HydrophobicContact CG2-CD1 3.96Å; V285-L465 HydrophobicContact CG2-CD2 3.93Å
286	Y	91.9	Very high	95.2	Very high	73 Å²	73	23.8 Å²	23.8	29%	0.286	13%	0.125	S	C	.	.	I	π-helix	trans	-140.4	-50.3	-165.6	179.5	-108.8	0	0	0	114.4	F282 R303 D390	F282-Y286 PolarHBondContact O-N 2.68Å; Y286-R303 PolarHBondContact O-NH2 2.84Å; Y286-D390 VanDerWaalsContact CD2-CG 3.5Å; Y286-D390 VanDerWaalsContact CD2-OD1 3.26Å; Y286-D390 WeakPolarHBondContact CD2-OD1 3.37Å; Y286-D390 WeakPolarHBondContact CD2-OD2 3.47Å
287	F	90.2	Very high	95.3	Very high	12 Å²	12	20 Å²	20	5%	0.053	11%	0.105	C	C	.	.	I	π-helix	trans	-68	-49.1	-160	-83.3	-94.7	0	0	0	114.6	I8 G9 E11 H42 F282 E283 I430	I8-F287 HydrophobicContact CB-CE2 4.47Å; I8-F287 HydrophobicContact CB-CZ 4.2Å; I8-F287 HydrophobicContact CG2-CE2 3.91Å; I8-F287 HydrophobicContact CG2-CZ 3.54Å; G9-F287 WeakPolarHBondContact O-CE1 3.26Å; G9-F287 WeakPolarHBondContact O-CZ 3.3Å; E11-F287 HydrophobicContact CB-CD1 4.17Å; E11-F287 HydrophobicContact CB-CE1 4.1Å; H42-F287 PolarHBondContact CD2-O 2.63Å; F282-F287 HydrophobicContact CB-CD2 4.01Å; F282-F287 HydrophobicContact CB-CE2 4.27Å; F282-F287 HydrophobicContact CD1-CD2 4.19Å; F282-F287 AromaticContact CD1-CE2 3.98Å; F282-F287 HydrophobicContact CD1-CE2 3.98Å; F282-F287 PolarHBondContact O-N 3.27Å; F282-F287 VanDerWaalsContact O-N 3.13Å; E283-F287 WeakPolarHBondContact OE2-CB 3.19Å; F287-I430 HydrophobicContact CD2-CD1 4.06Å; F287-I430 HydrophobicContact CE1-CG1 4.45Å; F287-I430 HydrophobicContact CE1-CG2 4.24Å; F287-I430 HydrophobicContact CE2-CD1 3.69Å; F287-I430 HydrophobicContact CE2-CG1 4.04Å; F287-I430 HydrophobicContact CE2-CG2 3.7Å; F287-I430 HydrophobicContact CZ-CB 4.28Å; F287-I430 HydrophobicContact CZ-CD1 4.2Å; F287-I430 HydrophobicContact CZ-CG1 4.02Å; F287-I430 HydrophobicContact CZ-CG2 3.33Å
288	A	94.7	Very high	95.4	Very high	2 Å²	2	23 Å²	23	2%	0.017	12%	0.119	C	C	.	.	S	Bend	trans	-72.5	152.3	-175.3	0	0	0	0	0	111	E235 E283 F294 V299 R303	E235-A288 WeakPolarHBondContact OE2-CA 3.29Å; E235-A288 WeakPolarHBondContact OE2-CB 3.3Å; E283-A288 VanDerWaalsContact O-CB 3.24Å; E283-A288 WeakPolarHBondContact O-CB 3.37Å; E283-A288 PolarHBondContact O-N 2.71Å; A288-F294 HydrophobicContact CB-CE2 3.37Å; A288-F294 HydrophobicContact CB-CZ 3.73Å; A288-V299 HydrophobicContact CB-CG1 4.49Å; A288-V299 HydrophobicContact CB-CG2 3.97Å; A288-R303 PolarHBondContact O-NH2 3.45Å
289	R	94.9	Very high	95.4	Very high	69 Å²	69	22.8 Å²	22.8	26%	0.26	12%	0.117	S	C	.	.			trans	-65.7	141.8	169.7	-95.7	176.1	57.7	176	0.9	109.7	A39 H42 E235 C237 D291 S292	A39-R289 PolarHBondContact O-NH1 3.19Å; H42-R289 WeakPolarHBondContact CE1-CD 3.33Å; H42-R289 WeakPolarHBondContact ND1-CD 3.4Å; E235-R289 PolarHBondContact OE2-N 2.89Å; C237-R289 HydrophobicContact CB-CB 4.32Å; R289-D291 WeakPolarHBondContact CB-OD1 3.42Å; R289-D291 IonicContact CZ-OD1 3.52Å; R289-D291 IonicContact CZ-OD2 3.68Å; R289-D291 IonicContact NE-OD1 3.7Å; R289-D291 PolarHBondContact NE-OD1 2.81Å; R289-D291 IonicContact NE-OD2 2.78Å; R289-D291 IonicContact NH2-OD1 3.68Å; R289-D291 PolarHBondContact NH2-OD1 3.07Å; R289-D291 IonicContact NH2-OD2 3.48Å; R289-D291 PolarHBondContact NH2-OD2 3.42Å; R289-D291 PolarHBondContact O-N 2.78Å; R289-D291 VanDerWaalsContact O-N 3.13Å; R289-S292 WeakPolarHBondContact O-CB 3.31Å; R289-S292 PolarHBondContact O-N 2.94Å
290	P	95.6	Very high	95.5	Very high	41 Å²	41	26.2 Å²	26.2	27%	0.266	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-27.1	-176.3	-24.5	33.3	0	0	0	114.6	S292 M298 Y300	P290-S292 VanDerWaalsContact C-N 3.27Å; P290-S292 PolarHBondContact O-N 3.2Å; P290-M298 WeakPolarHBondContact O-CG 3.27Å; P290-Y300 HydrophobicContact CB-CD2 3.84Å; P290-Y300 HydrophobicContact CB-CG 4.36Å; P290-Y300 VanDerWaalsContact O-CB 3.29Å; P290-Y300 WeakPolarHBondContact O-CB 3.41Å; P290-Y300 PolarHBondContact O-N 3.43Å
291	D	95.6	Very high	95.5	Very high	46 Å²	46	28.7 Å²	28.7	25%	0.246	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	5.9	179.1	61	-38.1	0	0	0	114.2	R289	R289-D291 WeakPolarHBondContact CB-OD1 3.42Å; R289-D291 IonicContact CZ-OD1 3.52Å; R289-D291 IonicContact CZ-OD2 3.68Å; R289-D291 IonicContact NE-OD1 3.7Å; R289-D291 PolarHBondContact NE-OD1 2.81Å; R289-D291 IonicContact NE-OD2 2.78Å; R289-D291 IonicContact NH2-OD1 3.68Å; R289-D291 PolarHBondContact NH2-OD1 3.07Å; R289-D291 IonicContact NH2-OD2 3.48Å; R289-D291 PolarHBondContact NH2-OD2 3.42Å; R289-D291 PolarHBondContact O-N 2.78Å; R289-D291 VanDerWaalsContact O-N 3.13Å
292	S	97.3	Very high	95.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.			trans	-81.3	151.7	171.9	-69	0	0	0	0	112.8	E235 S236 C237 R289 P290 M298 V299	E235-S292 WeakPolarHBondContact CB-OG 3.46Å; E235-S292 VanDerWaalsContact OE2-CB 3.27Å; E235-S292 WeakPolarHBondContact OE2-CB 3.46Å; E235-S292 PolarHBondContact OE2-OG 3.31Å; S236-S292 WeakPolarHBondContact OG-CA 3.45Å; C237-S292 VanDerWaalsContact CB-OG 3.31Å; C237-S292 WeakPolarHBondContact CB-OG 3.29Å; C237-S292 PolarHBondContact SG-OG 2.85Å; R289-S292 WeakPolarHBondContact O-CB 3.31Å; R289-S292 PolarHBondContact O-N 2.94Å; P290-S292 VanDerWaalsContact C-N 3.27Å; P290-S292 PolarHBondContact O-N 3.2Å; S292-M298 WeakPolarHBondContact O-CA 3.19Å; S292-V299 PolarHBondContact O-N 3.31Å
293	I	96.3	Very high	95.7	Very high	50 Å²	50	29.1 Å²	29.1	26%	0.256	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.4	179.3	-57.9	172.9	0	0	0	108.6	S236 Q297	S236-I293 PolarHBondContact OG-N 3.49Å; I293-Q297 VanDerWaalsContact CA-O 3.32Å; I293-Q297 WeakPolarHBondContact CA-O 3.44Å
294	F	96.2	Very high	95.8	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	144.7	170.9	-56.2	-45.5	0	0	0	109.2	P205 E235 F279 E283 Y284 A288 G296 Q297 V299	P205-F294 HydrophobicContact CB-CD1 3.91Å; P205-F294 HydrophobicContact CB-CE1 3.35Å; P205-F294 HydrophobicContact CB-CZ 3.79Å; P205-F294 HydrophobicContact CG-CE1 4.04Å; P205-F294 HydrophobicContact CG-CZ 3.99Å; E235-F294 HydrophobicContact CG-CE1 4.11Å; E235-F294 HydrophobicContact CG-CZ 3.77Å; F279-F294 HydrophobicContact CE1-CB 3.96Å; F279-F294 AromaticContact CE1-CD2 3.91Å; F279-F294 HydrophobicContact CE1-CD2 3.91Å; F279-F294 HydrophobicContact CE1-CG 4.07Å; F279-F294 HydrophobicContact CZ-CB 3.99Å; F279-F294 HydrophobicContact CZ-CD1 4.19Å; F279-F294 AromaticContact CZ-CD2 3.69Å; F279-F294 HydrophobicContact CZ-CD2 3.69Å; F279-F294 HydrophobicContact CZ-CE2 4.12Å; F279-F294 AromaticContact CZ-CG 3.71Å; F279-F294 HydrophobicContact CZ-CG 3.71Å; E283-F294 HydrophobicContact CB-CD2 4.44Å; E283-F294 HydrophobicContact CB-CE2 3.93Å; Y284-F294 HydrophobicContact CE1-CB 4.12Å; Y284-F294 HydrophobicContact CE1-CD2 4.15Å; Y284-F294 PolarHBondContact OH-O 3.15Å; A288-F294 HydrophobicContact CB-CE2 3.37Å; A288-F294 HydrophobicContact CB-CZ 3.73Å; F294-G296 PolarHBondContact O-N 2.57Å; F294-Q297 PolarHBondContact N-O 3.38Å; F294-Q297 WeakPolarHBondContact O-CG 3.41Å; F294-Q297 PolarHBondContact O-N 2.65Å; F294-V299 HydrophobicContact CD2-CG2 3.74Å; F294-V299 HydrophobicContact CE2-CG2 3.81Å
295	E	94.3	Very high	95.8	Very high	41 Å²	41	32 Å²	32	19%	0.192	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	34.5	176.8	-53.9	175.6	105.6	0	0	113	E249 F279 Y284 I473 H489	E249-E295 VanDerWaalsContact CD-N 3.34Å; E249-E295 PolarHBondContact OE1-N 2.73Å; E249-E295 WeakPolarHBondContact OE2-CA 3.28Å; E249-E295 PolarHBondContact OE2-N 2.83Å; F279-E295 WeakPolarHBondContact CD1-OE2 3.13Å; Y284-E295 VanDerWaalsContact CE2-OE2 3.28Å; Y284-E295 WeakPolarHBondContact CE2-OE2 3.16Å; Y284-E295 PolarHBondContact OH-OE2 2.93Å; E295-I473 HydrophobicContact CB-CD1 3.96Å; E295-I473 HydrophobicContact CB-CG1 4.08Å; E295-I473 HydrophobicContact CG-CD1 4.44Å; E295-I473 WeakPolarHBondContact OE2-CD1 3.19Å; E295-H489 IonicContact OE1-CE1 2.97Å; E295-H489 IonicContact OE1-NE2 3.69Å; E295-H489 PolarHBondContact OE1-NE2 3.12Å; E295-H489 IonicContact OE2-CD2 3.16Å; E295-H489 IonicContact OE2-CE1 3.28Å; E295-H489 IonicContact OE2-NE2 3.54Å; E295-H489 PolarHBondContact OE2-NE2 2.89Å
296	G	92.6	Very high	96	Very high	29 Å²	29	31.8 Å²	31.8	30%	0.299	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	5.9	-179.2	0	0	0	0	0	116.1	F294	F294-G296 PolarHBondContact O-N 2.57Å
297	Q	94.6	Very high	96.3	Very high	14 Å²	14	28.3 Å²	28.3	7%	0.065	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	148.6	-176.5	55.9	178.1	-12.1	0	0	113.4	Y284 I293 F294 V302 V469	Y284-Q297 HydrophobicContact CE1-CG 4.25Å; Y284-Q297 PolarHBondContact OH-NE2 2.88Å; Y284-Q297 VanDerWaalsContact OH-NE2 3.17Å; I293-Q297 VanDerWaalsContact CA-O 3.32Å; I293-Q297 WeakPolarHBondContact CA-O 3.44Å; F294-Q297 PolarHBondContact N-O 3.38Å; F294-Q297 WeakPolarHBondContact O-CG 3.41Å; F294-Q297 PolarHBondContact O-N 2.65Å; Q297-V302 HydrophobicContact CB-CG2 4.5Å; Q297-V302 VanDerWaalsContact CD-CG2 3.46Å; Q297-V302 HydrophobicContact CG-CG2 3.98Å; Q297-V469 PolarHBondContact NE2-O 3.04Å; Q297-V469 PolarHBondContact OE1-O 2.9Å
298	M	96.6	Very high	96.7	Very high	81 Å²	81	31.6 Å²	31.6	40%	0.399	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	135.8	176.8	-174.4	179.4	-71.8	0	0	111.3	P290 S292 Y300 T301 V302	P290-M298 WeakPolarHBondContact O-CG 3.27Å; S292-M298 WeakPolarHBondContact O-CA 3.19Å; M298-Y300 VanDerWaalsContact C-N 3.29Å; M298-Y300 PolarHBondContact O-N 3.29Å; M298-T301 PolarHBondContact O-N 3.12Å; M298-T301 VanDerWaalsContact O-N 3.16Å; M298-V302 WeakPolarHBondContact O-CG2 3.38Å; M298-V302 PolarHBondContact O-N 3.24Å
299	V	97.8	Very high	96.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-57.2	-41.1	178.9	173.3	0	0	0	0	111.6	Y284 A288 S292 F294 T301 V302 R303	Y284-V299 HydrophobicContact CD1-CG2 4.12Å; Y284-V299 HydrophobicContact CE1-CG2 4.4Å; A288-V299 HydrophobicContact CB-CG1 4.49Å; A288-V299 HydrophobicContact CB-CG2 3.97Å; S292-V299 PolarHBondContact O-N 3.31Å; F294-V299 HydrophobicContact CD2-CG2 3.74Å; F294-V299 HydrophobicContact CE2-CG2 3.81Å; V299-T301 VanDerWaalsContact C-N 3.34Å; V299-T301 PolarHBondContact O-N 2.94Å; V299-V302 WeakPolarHBondContact O-CB 3.33Å; V299-V302 PolarHBondContact O-N 2.89Å; V299-R303 HydrophobicContact CG1-CG 4.48Å; V299-R303 PolarHBondContact O-N 2.95Å
300	Y	97.9	Very high	97.1	Very high	75 Å²	75	30.5 Å²	30.5	29%	0.294	15%	0.154	S	C	.	.	H	α-helix	trans	-54	-48.3	176.5	-173.7	-86.8	0	0	0	112.3	P290 M298 V302 R303 Q304 P330 L333	P290-Y300 HydrophobicContact CB-CD2 3.84Å; P290-Y300 HydrophobicContact CB-CG 4.36Å; P290-Y300 VanDerWaalsContact O-CB 3.29Å; P290-Y300 WeakPolarHBondContact O-CB 3.41Å; P290-Y300 PolarHBondContact O-N 3.43Å; M298-Y300 VanDerWaalsContact C-N 3.29Å; M298-Y300 PolarHBondContact O-N 3.29Å; Y300-V302 VanDerWaalsContact C-N 3.33Å; Y300-V302 PolarHBondContact O-N 3.48Å; Y300-R303 PolarHBondContact O-N 3.24Å; Y300-Q304 HydrophobicContact CD1-CG 4.18Å; Y300-Q304 HydrophobicContact CE1-CG 3.88Å; Y300-Q304 VanDerWaalsContact CE1-NE2 3.33Å; Y300-Q304 PolarHBondContact O-N 3.02Å; Y300-P330 HydrophobicContact CD1-CB 4.44Å; Y300-P330 HydrophobicContact CD2-CB 3.82Å; Y300-P330 HydrophobicContact CD2-CG 3.49Å; Y300-P330 VanDerWaalsContact CD2-CG 3.49Å; Y300-P330 HydrophobicContact CE1-CB 4.4Å; Y300-P330 HydrophobicContact CE2-CB 3.74Å; Y300-P330 HydrophobicContact CE2-CG 3.54Å; Y300-P330 HydrophobicContact CG-CB 4.16Å; Y300-P330 HydrophobicContact CG-CG 4.24Å; Y300-L333 WeakPolarHBondContact OH-CD1 3.45Å
301	T	97.4	Very high	97.2	Very high	57 Å²	57	29 Å²	29	35%	0.35	15%	0.145	S	C	.	.	H	α-helix	trans	-65.9	-37.4	-179.4	-49.4	0	0	0	0	111.5	M298 V299 Q304 R305	M298-T301 PolarHBondContact O-N 3.12Å; M298-T301 VanDerWaalsContact O-N 3.16Å; V299-T301 VanDerWaalsContact C-N 3.34Å; V299-T301 PolarHBondContact O-N 2.94Å; T301-Q304 PolarHBondContact O-N 3.36Å; T301-R305 PolarHBondContact O-N 3.28Å
302	V	98.1	Very high	97.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.1	-47.6	175.2	177.5	0	0	0	0	110.6	Y284 Q297 M298 V299 Y300 Q304 R305 C306 V469	Y284-V302 HydrophobicContact CD1-CB 3.91Å; Y284-V302 HydrophobicContact CD1-CG1 3.81Å; Y284-V302 HydrophobicContact CD1-CG2 3.68Å; Y284-V302 HydrophobicContact CE1-CB 4.44Å; Y284-V302 HydrophobicContact CE1-CG2 3.71Å; Y284-V302 HydrophobicContact CG-CG1 3.94Å; Q297-V302 HydrophobicContact CB-CG2 4.5Å; Q297-V302 VanDerWaalsContact CD-CG2 3.46Å; Q297-V302 HydrophobicContact CG-CG2 3.98Å; M298-V302 WeakPolarHBondContact O-CG2 3.38Å; M298-V302 PolarHBondContact O-N 3.24Å; V299-V302 WeakPolarHBondContact O-CB 3.33Å; V299-V302 PolarHBondContact O-N 2.89Å; Y300-V302 VanDerWaalsContact C-N 3.33Å; Y300-V302 PolarHBondContact O-N 3.48Å; V302-Q304 VanDerWaalsContact C-N 3.32Å; V302-Q304 PolarHBondContact O-N 3.23Å; V302-R305 PolarHBondContact O-N 2.97Å; V302-R305 VanDerWaalsContact O-N 3.09Å; V302-C306 PolarHBondContact O-N 3.02Å; V302-C306 PolarHBondContact O-SG 2.89Å; V302-V469 HydrophobicContact CG1-CB 4.42Å; V302-V469 HydrophobicContact CG1-CG2 3.75Å
303	R	98.4	Very high	97.4	Very high	10 Å²	10	34.6 Å²	34.6	4%	0.038	17%	0.172	C	C	.	.	H	α-helix	trans	-61.7	-38.6	177.2	-70.7	-177.8	-172.6	173.8	9.4	112.2	Y284 V285 Y286 A288 V299 Y300 R305 C306 G307 S327 P330 A331	Y284-R303 VanDerWaalsContact O-CG 3.3Å; Y284-R303 WeakPolarHBondContact O-CG 3.36Å; Y284-R303 PolarHBondContact O-NE 2.94Å; V285-R303 PolarHBondContact O-NE 3.05Å; Y286-R303 PolarHBondContact O-NH2 2.84Å; A288-R303 PolarHBondContact O-NH2 3.45Å; V299-R303 HydrophobicContact CG1-CG 4.48Å; V299-R303 PolarHBondContact O-N 2.95Å; Y300-R303 PolarHBondContact O-N 3.24Å; R303-R305 PolarHBondContact O-N 3.33Å; R303-C306 WeakPolarHBondContact O-CB 3.35Å; R303-C306 PolarHBondContact O-N 3.15Å; R303-G307 PolarHBondContact O-N 2.9Å; R303-S327 PolarHBondContact NH1-O 3.1Å; R303-P330 HydrophobicContact CB-CB 3.77Å; R303-P330 HydrophobicContact CB-CG 4.24Å; R303-A331 VanDerWaalsContact O-CA 3.28Å; R303-A331 WeakPolarHBondContact O-CA 3.35Å; R303-A331 WeakPolarHBondContact O-CB 3.43Å
304	Q	98.4	Very high	97.5	Very high	39 Å²	39	32.6 Å²	32.6	18%	0.182	16%	0.163	C	C	.	.	H	α-helix	trans	-59.4	-44.3	171.7	-75.8	-170	-39.5	0	0	112.3	Y300 T301 V302 G307 R308 P330 G334	Y300-Q304 HydrophobicContact CD1-CG 4.18Å; Y300-Q304 HydrophobicContact CE1-CG 3.88Å; Y300-Q304 VanDerWaalsContact CE1-NE2 3.33Å; Y300-Q304 PolarHBondContact O-N 3.02Å; T301-Q304 PolarHBondContact O-N 3.36Å; V302-Q304 VanDerWaalsContact C-N 3.32Å; V302-Q304 PolarHBondContact O-N 3.23Å; Q304-G307 PolarHBondContact O-N 3.05Å; Q304-R308 WeakPolarHBondContact O-CG 3.46Å; Q304-R308 PolarHBondContact O-N 2.98Å; Q304-P330 WeakPolarHBondContact CA-O 3.27Å; Q304-P330 HydrophobicContact CG-CB 3.94Å; Q304-P330 VanDerWaalsContact CG-O 3.29Å; Q304-P330 WeakPolarHBondContact CG-O 3.4Å; Q304-G334 WeakPolarHBondContact O-CA 3.47Å
305	R	98.3	Very high	97.6	Very high	23 Å²	23	36.8 Å²	36.8	9%	0.087	19%	0.19	C	C	.	.	H	α-helix	trans	-64.3	-39.4	176.2	-68.8	-170.3	-54.3	-97.3	-2.5	112.3	T301 V302 R303 G307 R308 Q309 A468	T301-R305 PolarHBondContact O-N 3.28Å; V302-R305 PolarHBondContact O-N 2.97Å; V302-R305 VanDerWaalsContact O-N 3.09Å; R303-R305 PolarHBondContact O-N 3.33Å; R305-G307 VanDerWaalsContact C-N 3.27Å; R305-G307 PolarHBondContact O-N 2.96Å; R305-R308 PolarHBondContact O-N 3.24Å; R305-R308 VanDerWaalsContact O-N 3.16Å; R305-Q309 PolarHBondContact O-N 2.72Å; R305-A468 HydrophobicContact CB-CB 4.14Å; R305-A468 PolarHBondContact NE-O 2.78Å; R305-A468 PolarHBondContact NH2-O 3.31Å
306	C	98.5	Very high	97.8	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.034	19%	0.191	C	C	.	.	H	α-helix	trans	-57.9	-42.7	173.1	-60.9	0	0	0	0	111.1	V302 R303 Q309 L310 L460	V302-C306 PolarHBondContact O-N 3.02Å; V302-C306 PolarHBondContact O-SG 2.89Å; R303-C306 WeakPolarHBondContact O-CB 3.35Å; R303-C306 PolarHBondContact O-N 3.15Å; C306-Q309 PolarHBondContact O-N 3.03Å; C306-L310 VanDerWaalsContact O-CB 3.31Å; C306-L310 WeakPolarHBondContact O-CB 3.38Å; C306-L310 PolarHBondContact O-N 2.85Å; C306-L460 HydrophobicContact CB-CD2 3.97Å
307	G	98.6	Very high	98	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.9	-41.8	174.2	0	0	0	0	0	114.2	R303 Q304 R305 L310 A311 A331 Y335	R303-G307 PolarHBondContact O-N 2.9Å; Q304-G307 PolarHBondContact O-N 3.05Å; R305-G307 VanDerWaalsContact C-N 3.27Å; R305-G307 PolarHBondContact O-N 2.96Å; G307-L310 PolarHBondContact O-N 3.5Å; G307-A311 PolarHBondContact O-N 3.49Å; G307-A311 VanDerWaalsContact O-N 3.07Å; G307-A331 VanDerWaalsContact CA-O 3.25Å; G307-A331 WeakPolarHBondContact CA-O 3.42Å; G307-Y335 VanDerWaalsContact O-CA 3.32Å; G307-Y335 WeakPolarHBondContact O-CA 3.36Å; G307-Y335 WeakPolarHBondContact O-CB 3.49Å
308	R	98.8	Very high	98.1	Very high	81 Å²	81	40.1 Å²	40.1	31%	0.306	20%	0.204	S	C	.	.	H	α-helix	trans	-63.3	-47.2	174.5	-65.8	179	-176.1	155.6	2.8	111	Q304 R305 L310 A311 I312 G334 Q338	Q304-R308 WeakPolarHBondContact O-CG 3.46Å; Q304-R308 PolarHBondContact O-N 2.98Å; R305-R308 PolarHBondContact O-N 3.24Å; R305-R308 VanDerWaalsContact O-N 3.16Å; R308-L310 VanDerWaalsContact C-N 3.28Å; R308-L310 PolarHBondContact O-N 3.28Å; R308-A311 PolarHBondContact O-N 2.53Å; R308-A311 VanDerWaalsContact O-N 3.15Å; R308-I312 WeakPolarHBondContact O-CG1 3.47Å; R308-I312 PolarHBondContact O-N 3.46Å; R308-G334 WeakPolarHBondContact CG-O 3.47Å; R308-Q338 HydrophobicContact CB-CB 4.08Å; R308-Q338 HydrophobicContact CB-CG 4.33Å; R308-Q338 HydrophobicContact CG-CB 4.09Å; R308-Q338 WeakPolarHBondContact O-CG 3.33Å
309	Q	98.8	Very high	98.2	Very high	49 Å²	49	39.3 Å²	39.3	23%	0.229	20%	0.202	C	C	.	.	H	α-helix	trans	-60.5	-40.4	177.8	-172.4	60	31.5	0	0	111.4	R305 C306 A311 I312 E313 L460	R305-Q309 PolarHBondContact O-N 2.72Å; C306-Q309 PolarHBondContact O-N 3.03Å; Q309-A311 VanDerWaalsContact C-N 3.34Å; Q309-A311 PolarHBondContact O-N 3.05Å; Q309-I312 WeakPolarHBondContact O-CB 3.5Å; Q309-I312 PolarHBondContact O-N 3.13Å; Q309-I312 VanDerWaalsContact O-N 3.11Å; Q309-E313 VanDerWaalsContact CG-OE1 3.3Å; Q309-E313 WeakPolarHBondContact CG-OE1 3.41Å; Q309-E313 PolarHBondContact NE2-OE1 3.47Å; Q309-E313 PolarHBondContact O-N 3.15Å; Q309-L460 HydrophobicContact CB-CD1 3.99Å; Q309-L460 HydrophobicContact CG-CD1 3.73Å
310	L	98.8	Very high	98.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.5	-37.4	175.7	-177.7	60.7	0	0	0	112.8	C306 G307 R308 I312 E313 A314 Y335 I388 R416 A418 L460	C306-L310 VanDerWaalsContact O-CB 3.31Å; C306-L310 WeakPolarHBondContact O-CB 3.38Å; C306-L310 PolarHBondContact O-N 2.85Å; G307-L310 PolarHBondContact O-N 3.5Å; R308-L310 VanDerWaalsContact C-N 3.28Å; R308-L310 PolarHBondContact O-N 3.28Å; L310-I312 VanDerWaalsContact C-N 3.27Å; L310-I312 PolarHBondContact O-N 2.84Å; L310-E313 PolarHBondContact O-N 3.47Å; L310-A314 HydrophobicContact CD1-CB 4.23Å; L310-A314 PolarHBondContact O-N 2.85Å; L310-Y335 HydrophobicContact CB-CD2 4.17Å; L310-Y335 HydrophobicContact CD2-CD2 4.21Å; L310-Y335 HydrophobicContact CG-CD2 3.97Å; L310-Y335 HydrophobicContact CG-CE2 4.09Å; L310-I388 HydrophobicContact CD2-CG2 4.36Å; L310-R416 HydrophobicContact CD1-CB 4.39Å; L310-R416 HydrophobicContact CD2-CB 3.64Å; L310-R416 HydrophobicContact CG-CB 4.09Å; L310-A418 HydrophobicContact CD2-CB 4.32Å; L310-L460 HydrophobicContact CB-CD1 4.18Å; L310-L460 HydrophobicContact CD1-CB 4.08Å
311	A	98.7	Very high	98.3	Very high	9 Å²	9	35.8 Å²	35.8	7%	0.074	19%	0.188	C	C	.	.	H	α-helix	trans	-68.2	-26.9	174.9	0	0	0	0	0	113.2	G307 R308 Q309 Y335 Q338	G307-A311 PolarHBondContact O-N 3.49Å; G307-A311 VanDerWaalsContact O-N 3.07Å; R308-A311 PolarHBondContact O-N 2.53Å; R308-A311 VanDerWaalsContact O-N 3.15Å; Q309-A311 VanDerWaalsContact C-N 3.34Å; Q309-A311 PolarHBondContact O-N 3.05Å; A311-Y335 HydrophobicContact CB-CD1 4.2Å; A311-Y335 HydrophobicContact CB-CD2 3.58Å; A311-Y335 HydrophobicContact CB-CE1 4.32Å; A311-Y335 HydrophobicContact CB-CE2 3.74Å; A311-Y335 HydrophobicContact CB-CG 3.81Å; A311-Q338 HydrophobicContact CB-CB 3.79Å; A311-Q338 HydrophobicContact CB-CG 3.75Å
312	I	98.6	Very high	98.3	Very high	98 Å²	98	33.1 Å²	33.1	50%	0.503	17%	0.171	S	C	.	.	H	α-helix	trans	-76	-46	174.3	-64.2	165.5	0	0	0	110.2	R308 Q309 L310 Q338	R308-I312 WeakPolarHBondContact O-CG1 3.47Å; R308-I312 PolarHBondContact O-N 3.46Å; Q309-I312 WeakPolarHBondContact O-CB 3.5Å; Q309-I312 PolarHBondContact O-N 3.13Å; Q309-I312 VanDerWaalsContact O-N 3.11Å; L310-I312 VanDerWaalsContact C-N 3.27Å; L310-I312 PolarHBondContact O-N 2.84Å; I312-Q338 HydrophobicContact CD1-CG 4.48Å; I312-Q338 HydrophobicContact CG1-CG 3.98Å
313	E	98.6	Very high	98.3	Very high	65 Å²	65	33.2 Å²	33.2	30%	0.304	17%	0.172	S	C	.	.	H	α-helix	trans	-75.6	-35.9	-175.6	-71.1	178	-160.9	0	0	113.1	Q309 L310 T461 G464	Q309-E313 VanDerWaalsContact CG-OE1 3.3Å; Q309-E313 WeakPolarHBondContact CG-OE1 3.41Å; Q309-E313 PolarHBondContact NE2-OE1 3.47Å; Q309-E313 PolarHBondContact O-N 3.15Å; L310-E313 PolarHBondContact O-N 3.47Å; E313-T461 PolarHBondContact OE1-OG1 3.04Å; E313-T461 VanDerWaalsContact OE1-OG1 3.13Å; E313-T461 VanDerWaalsContact OE2-CB 3.32Å; E313-T461 WeakPolarHBondContact OE2-CB 3.47Å; E313-T461 VanDerWaalsContact OE2-CG2 3.23Å; E313-T461 WeakPolarHBondContact OE2-CG2 3.13Å; E313-T461 PolarHBondContact OE2-N 3.22Å; E313-T461 PolarHBondContact OE2-OG1 2.88Å; E313-G464 WeakPolarHBondContact OE1-CA 3.34Å
314	A	98.3	Very high	97.9	Very high	8 Å²	8	33.2 Å²	33.2	7%	0.066	17%	0.173	C	C	.	.	S	Bend	trans	-136.9	61.8	-172.1	0	0	0	0	0	112.4	L310 Y335 R416 E458	L310-A314 HydrophobicContact CD1-CB 4.23Å; L310-A314 PolarHBondContact O-N 2.85Å; A314-Y335 PolarHBondContact O-OH 3.37Å; A314-Y335 VanDerWaalsContact O-OH 3.06Å; A314-R416 PolarHBondContact O-NE 3.08Å; A314-E458 HydrophobicContact CB-CB 3.51Å; A314-E458 HydrophobicContact CB-CG 4.01Å
315	P	98	Very high	97.4	Very high	88 Å²	88	32.4 Å²	32.4	57%	0.571	17%	0.172	S	C	*	.			trans	-62.4	163.5	176.3	28.8	-35.6	0	0	0	111.9	R416	P315-R416 PolarHBondContact O-NH2 3.03Å
316	T	97.6	Very high	96.8	Very high	33 Å²	33	35.5 Å²	35.5	20%	0.202	19%	0.187	C	C	.	.			trans	-153.4	144.5	173	-162.4	0	0	0	0	110.3	V318 V386 H414	T316-V318 HydrophobicContact CG2-CB 4.4Å; T316-V318 HydrophobicContact CG2-CG1 3.66Å; T316-V318 HydrophobicContact CG2-CG2 3.89Å; T316-V318 PolarHBondContact O-N 2.92Å; T316-V386 HydrophobicContact CG2-CB 3.83Å; T316-V386 HydrophobicContact CG2-CG1 4.28Å; T316-V386 HydrophobicContact CG2-CG2 3.9Å; T316-H414 HydrophobicContact CG2-CB 4.5Å
317	D	96.8	Very high	96.2	Very high	117 Å²	117	36.6 Å²	36.6	63%	0.626	19%	0.194	S	C	*	.			trans	-87.4	100.7	175.4	174.6	31.2	0	0	0	109.5	R384	D317-R384 VanDerWaalsContact CG-NH1 3.31Å; D317-R384 VanDerWaalsContact O-CZ 3.3Å; D317-R384 PolarHBondContact O-NH1 2.65Å; D317-R384 IonicContact OD1-CZ 2.73Å; D317-R384 IonicContact OD1-NH1 3.15Å; D317-R384 IonicContact OD1-NH2 3.64Å; D317-R384 PolarHBondContact OD1-NH2 3.06Å; D317-R384 IonicContact OD2-CZ 3.29Å; D317-R384 IonicContact OD2-NH1 3.9Å; D317-R384 PolarHBondContact OD2-NH1 3Å; D317-R384 IonicContact OD2-NH2 3.68Å
318	V	98.2	Very high	96	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.024	20%	0.195	C	C	.	.			trans	-143.5	173.1	-177.9	-61.3	0	0	0	0	109.8	T316 L341 R384 V386 H414	T316-V318 HydrophobicContact CG2-CB 4.4Å; T316-V318 HydrophobicContact CG2-CG1 3.66Å; T316-V318 HydrophobicContact CG2-CG2 3.89Å; T316-V318 PolarHBondContact O-N 2.92Å; V318-L341 HydrophobicContact CG2-CD1 3.65Å; V318-L341 VanDerWaalsContact O-CD2 3.26Å; V318-L341 WeakPolarHBondContact O-CD2 3.41Å; V318-R384 HydrophobicContact CB-CB 3.99Å; V318-R384 HydrophobicContact CG1-CB 4.12Å; V318-V386 HydrophobicContact CG1-CB 4.49Å; V318-V386 HydrophobicContact CG2-CB 3.91Å; V318-V386 HydrophobicContact CG2-CG1 3.69Å; V318-H414 WeakPolarHBondContact CG1-CD2 3.19Å
319	D	98.5	Very high	95.9	Very high	64 Å²	64	34.4 Å²	34.4	34%	0.342	19%	0.191	S	C	.	.	S	Bend	trans	-94.7	-24.9	-173	-48	-41.5	0	0	0	112.8	P342 K383 R384	D319-P342 WeakPolarHBondContact O-CG 3.35Å; D319-K383 HydrophobicContact CB-CB 4.1Å; D319-K383 HydrophobicContact CB-CD 4.4Å; D319-K383 HydrophobicContact CB-CG 4.45Å; D319-K383 WeakPolarHBondContact OD2-CA 3.47Å; D319-R384 PolarHBondContact N-O 3.37Å; D319-R384 IonicContact OD1-CZ 3.63Å; D319-R384 IonicContact OD1-NE 3.72Å; D319-R384 PolarHBondContact OD1-NE 3.07Å; D319-R384 IonicContact OD1-NH2 3.78Å; D319-R384 PolarHBondContact OD1-NH2 3.01Å; D319-R384 VanDerWaalsContact OD1-NH2 3.16Å; D319-R384 PolarHBondContact OD2-N 3.01Å; D319-R384 IonicContact OD2-NE 2.72Å
320	L	98.4	Very high	95.9	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	158.4	177.8	66	88	0	0	0	113.4	P342 T344 V346 F380 K383 R384 V385 V386	L320-P342 HydrophobicContact CB-CG 4.25Å; L320-T344 HydrophobicContact CD2-CG2 4.43Å; L320-V346 HydrophobicContact CD1-CG1 3.89Å; L320-F380 HydrophobicContact CD2-CB 3.89Å; L320-K383 HydrophobicContact CD2-CB 4.46Å; L320-K383 HydrophobicContact CD2-CD 3.71Å; L320-R384 PolarHBondContact N-O 3.36Å; L320-V385 HydrophobicContact CD1-CB 4.22Å; L320-V385 HydrophobicContact CD1-CG1 3.74Å; L320-V385 HydrophobicContact CD1-CG2 3.89Å; L320-V385 HydrophobicContact CD2-CG2 4.47Å; L320-V385 HydrophobicContact CG-CG2 4.15Å; L320-V386 PolarHBondContact O-N 3.32Å
321	V	98.8	Very high	95.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	137.3	172.1	179.6	0	0	0	0	109	A332 Y335 A336 L341 P342 Y343 T344 V386 I388	V321-A332 HydrophobicContact CG1-CB 4.31Å; V321-Y335 HydrophobicContact CG1-CD1 4.16Å; V321-Y335 HydrophobicContact CG2-CD1 3.75Å; V321-Y335 HydrophobicContact CG2-CE1 4.13Å; V321-A336 HydrophobicContact CB-CB 3.94Å; V321-A336 HydrophobicContact CG1-CB 4.12Å; V321-A336 HydrophobicContact CG2-CB 4.07Å; V321-L341 HydrophobicContact CG2-CB 3.66Å; V321-L341 HydrophobicContact CG2-CD1 3.86Å; V321-L341 HydrophobicContact CG2-CG 4.43Å; V321-P342 PolarHBondContact N-O 2.93Å; V321-Y343 CarbonylContact O-C 3.57Å; V321-Y343 WeakPolarHBondContact O-CA 3.44Å; V321-T344 PolarHBondContact O-N 2.84Å; V321-V386 WeakPolarHBondContact CA-O 3.35Å; V321-V386 HydrophobicContact CB-CG1 4.04Å; V321-V386 HydrophobicContact CG1-CG1 4.21Å; V321-V386 HydrophobicContact CG2-CG1 3.55Å; V321-I388 HydrophobicContact CG1-CD1 4.36Å; V321-I388 HydrophobicContact CG1-CG1 3.89Å
322	S	98.1	Very high	95.9	Very high	1 Å²	1	32 Å²	32	1%	0.007	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	-174.4	171.2	-153.2	0	0	0	0	111	T344 V346 V386 I388	S322-T344 WeakPolarHBondContact CB-O 3.39Å; S322-T344 PolarHBondContact OG-O 3.16Å; S322-V346 VanDerWaalsContact OG-CG2 3.26Å; S322-V346 WeakPolarHBondContact OG-CG2 3.49Å; S322-V346 PolarHBondContact OG-N 3.48Å; S322-V386 PolarHBondContact N-O 2.93Å; S322-I388 PolarHBondContact O-N 3.21Å
323	T	96.4	Very high	95.9	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.018	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	160	-177.1	-165.4	0	0	0	0	112.6	P325 A328 T329 A332 Y343 L387 I388	T323-P325 WeakPolarHBondContact O-CD 3.41Å; T323-A328 VanDerWaalsContact OG1-CB 3.23Å; T323-A328 WeakPolarHBondContact OG1-CB 3.23Å; T323-A328 PolarHBondContact OG1-O 3.35Å; T323-T329 PolarHBondContact OG1-N 3.14Å; T323-A332 HydrophobicContact CG2-CB 4.48Å; T323-Y343 HydrophobicContact CG2-CE2 4.24Å; T323-Y343 WeakPolarHBondContact CG2-OH 3.44Å; T323-L387 VanDerWaalsContact C-CD1 3.42Å; T323-L387 WeakPolarHBondContact O-CD1 3.39Å; T323-I388 VanDerWaalsContact CA-O 3.26Å; T323-I388 WeakPolarHBondContact CA-O 3.48Å; T323-I388 PolarHBondContact OG1-O 2.79Å
324	V	90.6	Very high	95.9	Very high	10 Å²	10	26.6 Å²	26.6	6%	0.061	15%	0.153	C	C	.	.	S	Bend	trans	-80.5	109	158.3	-176.8	0	0	0	0	108	F373 L387 I388 D389 I398 I401	V324-F373 HydrophobicContact CG1-CZ 4.14Å; V324-L387 HydrophobicContact CG2-CD2 3.68Å; V324-L387 HydrophobicContact CG2-CG 4.02Å; V324-I388 PolarHBondContact N-O 2.79Å; V324-I388 VanDerWaalsContact N-O 3.12Å; V324-D389 HydrophobicContact CG2-CB 4.32Å; V324-I398 HydrophobicContact CG2-CD1 3.73Å; V324-I401 HydrophobicContact CG1-CD1 3.97Å; V324-I401 HydrophobicContact CG2-CD1 4.13Å
325	P	88.8	Confident	95.9	Very high	22 Å²	22	26.2 Å²	26.2	14%	0.143	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	142.6	-175.6	24.5	-30.7	0	0	0	111.8	T323 L347 K349 F373	T323-P325 WeakPolarHBondContact O-CD 3.41Å; P325-L347 HydrophobicContact CG-CB 4.26Å; P325-K349 HydrophobicContact CB-CB 4.44Å; P325-K349 HydrophobicContact CG-CB 4.09Å; P325-F373 HydrophobicContact CG-CD1 4.14Å; P325-F373 HydrophobicContact CG-CE1 3.92Å
326	E	85.1	Confident	95.9	Very high	87 Å²	87	22.3 Å²	22.3	41%	0.407	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	cis	-121.4	-15.6	14.4	-66.7	172.8	158.5	0	0	113.5	A328 T329 K349 R351	E326-A328 PolarHBondContact O-N 3.42Å; E326-T329 PolarHBondContact O-N 3.09Å; E326-T329 PolarHBondContact O-OG1 3.48Å; E326-K349 HydrophobicContact CG-CD 3.94Å; E326-K349 IonicContact OE2-NZ 3.36Å; E326-R351 IonicContact OE1-NE 3.99Å; E326-R351 IonicContact OE1-NH2 3.89Å
327	S	87.1	Confident	96	Very high	28 Å²	28	26.8 Å²	26.8	20%	0.196	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-38.1	-172.3	36	0	0	0	0	113.5	R303 P330 D390	R303-S327 PolarHBondContact NH1-O 3.1Å; S327-P330 WeakPolarHBondContact O-CD 3.26Å; S327-D390 VanDerWaalsContact CB-OD2 3.28Å; S327-D390 WeakPolarHBondContact CB-OD2 3.39Å; S327-D390 PolarHBondContact OG-OD2 2.69Å
328	A	94.2	Very high	96.1	Very high	2 Å²	2	25.6 Å²	25.6	2%	0.017	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-6.8	-175.5	0	0	0	0	0	114.2	T323 E326 P330 A331 A332 I388 D390	T323-A328 VanDerWaalsContact OG1-CB 3.23Å; T323-A328 WeakPolarHBondContact OG1-CB 3.23Å; T323-A328 PolarHBondContact OG1-O 3.35Å; E326-A328 PolarHBondContact O-N 3.42Å; A328-P330 VanDerWaalsContact C-CD 3.42Å; A328-A331 WeakPolarHBondContact O-CB 3.47Å; A328-A331 PolarHBondContact O-N 3.34Å; A328-A332 PolarHBondContact O-N 2.98Å; A328-I388 WeakPolarHBondContact CB-O 3.49Å; A328-D390 HydrophobicContact CB-CB 4.26Å
329	T	96.8	Very high	96.1	Very high	34 Å²	34	27.8 Å²	27.8	21%	0.209	15%	0.149	C	C	.	.	H	α-helix	trans	-51.5	-45	179.8	-55.5	0	0	0	0	114	T323 E326 A331 A332 L333	T323-T329 PolarHBondContact OG1-N 3.14Å; E326-T329 PolarHBondContact O-N 3.09Å; E326-T329 PolarHBondContact O-OG1 3.48Å; T329-A331 VanDerWaalsContact C-N 3.34Å; T329-A331 PolarHBondContact O-N 3.02Å; T329-A332 PolarHBondContact O-N 2.74Å; T329-L333 HydrophobicContact CG2-CD1 4.2Å; T329-L333 WeakPolarHBondContact O-CG 3.46Å; T329-L333 PolarHBondContact O-N 3.15Å
330	P	98	Very high	96	Very high	3 Å²	3	28 Å²	28	2%	0.019	17%	0.167	C	C	.	.	H	α-helix	trans	-63.9	-40.5	178.5	-15.3	28.8	0	0	0	111.7	Y300 R303 Q304 S327 A328 A332 L333 G334	Y300-P330 HydrophobicContact CD1-CB 4.44Å; Y300-P330 HydrophobicContact CD2-CB 3.82Å; Y300-P330 HydrophobicContact CD2-CG 3.49Å; Y300-P330 VanDerWaalsContact CD2-CG 3.49Å; Y300-P330 HydrophobicContact CE1-CB 4.4Å; Y300-P330 HydrophobicContact CE2-CB 3.74Å; Y300-P330 HydrophobicContact CE2-CG 3.54Å; Y300-P330 HydrophobicContact CG-CB 4.16Å; Y300-P330 HydrophobicContact CG-CG 4.24Å; R303-P330 HydrophobicContact CB-CB 3.77Å; R303-P330 HydrophobicContact CB-CG 4.24Å; Q304-P330 WeakPolarHBondContact CA-O 3.27Å; Q304-P330 HydrophobicContact CG-CB 3.94Å; Q304-P330 VanDerWaalsContact CG-O 3.29Å; Q304-P330 WeakPolarHBondContact CG-O 3.4Å; S327-P330 WeakPolarHBondContact O-CD 3.26Å; A328-P330 VanDerWaalsContact C-CD 3.42Å; P330-A332 VanDerWaalsContact C-N 3.33Å; P330-A332 PolarHBondContact O-N 3.24Å; P330-L333 PolarHBondContact O-N 3.24Å; P330-G334 PolarHBondContact O-N 3.17Å
331	A	98.5	Very high	96	Very high	3 Å²	3	29.8 Å²	29.8	3%	0.025	18%	0.176	C	C	.	.	H	α-helix	trans	-63.8	-38.9	176	0	0	0	0	0	111.6	R303 G307 A328 T329 L333 G334 Y335 I388 A418	R303-A331 VanDerWaalsContact O-CA 3.28Å; R303-A331 WeakPolarHBondContact O-CA 3.35Å; R303-A331 WeakPolarHBondContact O-CB 3.43Å; G307-A331 VanDerWaalsContact CA-O 3.25Å; G307-A331 WeakPolarHBondContact CA-O 3.42Å; A328-A331 WeakPolarHBondContact O-CB 3.47Å; A328-A331 PolarHBondContact O-N 3.34Å; T329-A331 VanDerWaalsContact C-N 3.34Å; T329-A331 PolarHBondContact O-N 3.02Å; A331-L333 PolarHBondContact O-N 2.66Å; A331-G334 PolarHBondContact O-N 3.42Å; A331-Y335 WeakPolarHBondContact O-CB 3.43Å; A331-Y335 PolarHBondContact O-N 2.96Å; A331-I388 HydrophobicContact CB-CG2 4.06Å; A331-A418 HydrophobicContact CB-CB 3.62Å
332	A	98.6	Very high	96	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.7	-42.7	175.1	0	0	0	0	0	113.5	V321 T323 A328 T329 P330 G334 Y335 A336 Y343 I388	V321-A332 HydrophobicContact CG1-CB 4.31Å; T323-A332 HydrophobicContact CG2-CB 4.48Å; A328-A332 PolarHBondContact O-N 2.98Å; T329-A332 PolarHBondContact O-N 2.74Å; P330-A332 VanDerWaalsContact C-N 3.33Å; P330-A332 PolarHBondContact O-N 3.24Å; A332-G334 VanDerWaalsContact C-N 3.32Å; A332-G334 PolarHBondContact O-N 2.96Å; A332-Y335 PolarHBondContact O-N 2.88Å; A332-A336 VanDerWaalsContact O-CB 3.3Å; A332-A336 WeakPolarHBondContact O-CB 3.2Å; A332-A336 PolarHBondContact O-N 2.83Å; A332-Y343 HydrophobicContact CB-CD2 4.04Å; A332-Y343 HydrophobicContact CB-CE2 3.75Å; A332-I388 HydrophobicContact CB-CB 3.88Å; A332-I388 HydrophobicContact CB-CG1 3.84Å
333	L	98.6	Very high	96	Very high	51 Å²	51	36.2 Å²	36.2	27%	0.267	21%	0.21	S	C	.	.	H	α-helix	trans	-63.2	-40.2	174.4	-68.3	169.5	0	0	0	111.6	Y300 T329 P330 A331 Q337 Y343	Y300-L333 WeakPolarHBondContact OH-CD1 3.45Å; T329-L333 HydrophobicContact CG2-CD1 4.2Å; T329-L333 WeakPolarHBondContact O-CG 3.46Å; T329-L333 PolarHBondContact O-N 3.15Å; P330-L333 PolarHBondContact O-N 3.24Å; A331-L333 PolarHBondContact O-N 2.66Å; L333-Q337 WeakPolarHBondContact O-CB 2.97Å; L333-Q337 PolarHBondContact O-N 3.25Å; L333-Y343 HydrophobicContact CD2-CD1 3.78Å; L333-Y343 HydrophobicContact CD2-CD2 4.12Å; L333-Y343 HydrophobicContact CD2-CE1 4.25Å; L333-Y343 HydrophobicContact CD2-CG 3.71Å
334	G	98.5	Very high	96.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.7	-46.1	174.4	0	0	0	0	0	112.8	Q304 R308 P330 A331 A332 Q337 Q338	Q304-G334 WeakPolarHBondContact O-CA 3.47Å; R308-G334 WeakPolarHBondContact CG-O 3.47Å; P330-G334 PolarHBondContact O-N 3.17Å; A331-G334 PolarHBondContact O-N 3.42Å; A332-G334 VanDerWaalsContact C-N 3.32Å; A332-G334 PolarHBondContact O-N 2.96Å; G334-Q337 PolarHBondContact O-N 2.91Å; G334-Q338 WeakPolarHBondContact O-CB 3.49Å; G334-Q338 PolarHBondContact O-N 3.23Å
335	Y	98.8	Very high	96.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-47.3	177.3	-171.5	-73.6	0	0	0	111.3	G307 L310 A311 A314 V321 A331 A332 Q337 Q338 S339 V386 I388 R416	G307-Y335 VanDerWaalsContact O-CA 3.32Å; G307-Y335 WeakPolarHBondContact O-CA 3.36Å; G307-Y335 WeakPolarHBondContact O-CB 3.49Å; L310-Y335 HydrophobicContact CB-CD2 4.17Å; L310-Y335 HydrophobicContact CD2-CD2 4.21Å; L310-Y335 HydrophobicContact CG-CD2 3.97Å; L310-Y335 HydrophobicContact CG-CE2 4.09Å; A311-Y335 HydrophobicContact CB-CD1 4.2Å; A311-Y335 HydrophobicContact CB-CD2 3.58Å; A311-Y335 HydrophobicContact CB-CE1 4.32Å; A311-Y335 HydrophobicContact CB-CE2 3.74Å; A311-Y335 HydrophobicContact CB-CG 3.81Å; A314-Y335 PolarHBondContact O-OH 3.37Å; A314-Y335 VanDerWaalsContact O-OH 3.06Å; V321-Y335 HydrophobicContact CG1-CD1 4.16Å; V321-Y335 HydrophobicContact CG2-CD1 3.75Å; V321-Y335 HydrophobicContact CG2-CE1 4.13Å; A331-Y335 WeakPolarHBondContact O-CB 3.43Å; A331-Y335 PolarHBondContact O-N 2.96Å; A332-Y335 PolarHBondContact O-N 2.88Å; Y335-Q337 PolarHBondContact O-N 3.03Å; Y335-Q338 PolarHBondContact O-N 3.04Å; Y335-S339 WeakPolarHBondContact O-CB 3.38Å; Y335-S339 PolarHBondContact O-N 3.07Å; Y335-S339 PolarHBondContact O-OG 3.35Å; Y335-V386 HydrophobicContact CE1-CG1 4.04Å; Y335-I388 HydrophobicContact CD1-CD1 4.18Å; Y335-I388 HydrophobicContact CD2-CD1 3.88Å; Y335-I388 HydrophobicContact CE2-CD1 4.3Å; Y335-I388 HydrophobicContact CG-CD1 3.82Å; Y335-I388 HydrophobicContact CG-CG1 4.41Å; Y335-R416 HydrophobicContact CE2-CB 4.37Å; Y335-R416 HydrophobicContact CE2-CG 3.95Å
336	A	98.7	Very high	96.8	Very high	6 Å²	6	41.7 Å²	41.7	5%	0.05	24%	0.235	C	C	.	.	H	α-helix	trans	-58.2	-47.8	177.1	0	0	0	0	0	111.9	V321 A332 Q338 S339 G340 L341	V321-A336 HydrophobicContact CB-CB 3.94Å; V321-A336 HydrophobicContact CG1-CB 4.12Å; V321-A336 HydrophobicContact CG2-CB 4.07Å; A332-A336 VanDerWaalsContact O-CB 3.3Å; A332-A336 WeakPolarHBondContact O-CB 3.2Å; A332-A336 PolarHBondContact O-N 2.83Å; A336-Q338 VanDerWaalsContact C-N 3.35Å; A336-Q338 PolarHBondContact O-N 3.39Å; A336-S339 PolarHBondContact O-N 2.89Å; A336-S339 PolarHBondContact O-OG 3.14Å; A336-G340 PolarHBondContact O-N 3.09Å; A336-L341 WeakPolarHBondContact CB-O 3.21Å; A336-L341 PolarHBondContact O-N 3.37Å
337	Q	98.4	Very high	97.2	Very high	126 Å²	126	38 Å²	38	59%	0.589	22%	0.218	S	C	*	.	H	α-helix	trans	-60.7	-43.6	177.9	-174.2	-178.5	18	0	0	112.1	L333 G334 Y335	L333-Q337 WeakPolarHBondContact O-CB 2.97Å; L333-Q337 PolarHBondContact O-N 3.25Å; G334-Q337 PolarHBondContact O-N 2.91Å; Y335-Q337 PolarHBondContact O-N 3.03Å
338	Q	98.6	Very high	97.4	Very high	93 Å²	93	40 Å²	40	44%	0.435	23%	0.231	S	C	.	.	H	α-helix	trans	-72.4	-35.8	-178.2	-177.7	61	42.7	0	0	113	R308 A311 I312 G334 Y335 A336	R308-Q338 HydrophobicContact CB-CB 4.08Å; R308-Q338 HydrophobicContact CB-CG 4.33Å; R308-Q338 HydrophobicContact CG-CB 4.09Å; R308-Q338 WeakPolarHBondContact O-CG 3.33Å; A311-Q338 HydrophobicContact CB-CB 3.79Å; A311-Q338 HydrophobicContact CB-CG 3.75Å; I312-Q338 HydrophobicContact CD1-CG 4.48Å; I312-Q338 HydrophobicContact CG1-CG 3.98Å; G334-Q338 WeakPolarHBondContact O-CB 3.49Å; G334-Q338 PolarHBondContact O-N 3.23Å; Y335-Q338 PolarHBondContact O-N 3.04Å; A336-Q338 VanDerWaalsContact C-N 3.35Å; A336-Q338 PolarHBondContact O-N 3.39Å
339	S	98.2	Very high	97	Very high	49 Å²	49	43.9 Å²	43.9	34%	0.343	25%	0.248	S	C	.	.	H	α-helix	trans	-83.4	-15	179.9	56.4	0	0	0	0	113.7	Y335 A336 L341	Y335-S339 WeakPolarHBondContact O-CB 3.38Å; Y335-S339 PolarHBondContact O-N 3.07Å; Y335-S339 PolarHBondContact O-OG 3.35Å; A336-S339 PolarHBondContact O-N 2.89Å; A336-S339 PolarHBondContact O-OG 3.14Å; S339-L341 PolarHBondContact O-N 3.1Å
340	G	98.1	Very high	96.4	Very high	69 Å²	69	45.7 Å²	45.7	71%	0.711	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	11.3	-174.2	0	0	0	0	0	113.9	A336	A336-G340 PolarHBondContact O-N 3.09Å
341	L	98.2	Very high	95.6	Very high	39 Å²	39	54.9 Å²	54.9	20%	0.204	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-88.1	148.3	179	-65.9	173.4	0	0	0	111.3	V318 V321 A336 S339 Y343	V318-L341 HydrophobicContact CG2-CD1 3.65Å; V318-L341 VanDerWaalsContact O-CD2 3.26Å; V318-L341 WeakPolarHBondContact O-CD2 3.41Å; V321-L341 HydrophobicContact CG2-CB 3.66Å; V321-L341 HydrophobicContact CG2-CD1 3.86Å; V321-L341 HydrophobicContact CG2-CG 4.43Å; A336-L341 WeakPolarHBondContact CB-O 3.21Å; A336-L341 PolarHBondContact O-N 3.37Å; S339-L341 PolarHBondContact O-N 3.1Å; L341-Y343 PolarHBondContact O-N 3.15Å
342	P	98.2	Very high	94.4	Very high	73 Å²	73	65.1 Å²	65.1	47%	0.474	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-69.8	131.7	175.9	28.9	-33.4	0	0	0	110.9	D319 L320 V321	D319-P342 WeakPolarHBondContact O-CG 3.35Å; L320-P342 HydrophobicContact CB-CG 4.25Å; V321-P342 PolarHBondContact N-O 2.93Å
343	Y	98.4	Very high	93	Very high	63 Å²	63	67.5 Å²	67.5	25%	0.247	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-76.6	128.2	164.1	176.1	-95	0	0	0	109.2	V321 T323 A332 L333 L341 E345	V321-Y343 CarbonylContact O-C 3.57Å; V321-Y343 WeakPolarHBondContact O-CA 3.44Å; T323-Y343 HydrophobicContact CG2-CE2 4.24Å; T323-Y343 WeakPolarHBondContact CG2-OH 3.44Å; A332-Y343 HydrophobicContact CB-CD2 4.04Å; A332-Y343 HydrophobicContact CB-CE2 3.75Å; L333-Y343 HydrophobicContact CD2-CD1 3.78Å; L333-Y343 HydrophobicContact CD2-CD2 4.12Å; L333-Y343 HydrophobicContact CD2-CE1 4.25Å; L333-Y343 HydrophobicContact CD2-CG 3.71Å; L341-Y343 PolarHBondContact O-N 3.15Å; Y343-E345 HydrophobicContact CE1-CG 4.01Å
344	T	97.9	Very high	91.2	Very high	34 Å²	34	67.8 Å²	67.8	21%	0.209	36%	0.359	C	S	.	.			trans	-139.3	132.4	178.7	-60.8	0	0	0	0	109.5	L320 V321 S322 V346 N379	L320-T344 HydrophobicContact CD2-CG2 4.43Å; V321-T344 PolarHBondContact O-N 2.84Å; S322-T344 WeakPolarHBondContact CB-O 3.39Å; S322-T344 PolarHBondContact OG-O 3.16Å; T344-V346 PolarHBondContact O-N 2.98Å; T344-N379 HydrophobicContact CG2-CB 3.66Å
345	E	96.6	Very high	89.3	Confident	115 Å²	115	73 Å²	73	54%	0.537	38%	0.379	S	S	.	.			trans	-71.1	124	176.2	-63.2	-173.2	147.3	0	0	110.3	Y343 L376 N379	Y343-E345 HydrophobicContact CE1-CG 4.01Å; E345-L376 HydrophobicContact CB-CD1 3.94Å; E345-N379 PolarHBondContact O-ND2 2.87Å
346	V	96.6	Very high	86.8	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	40%	0.4	C	S	.	.			trans	-110.9	-14.2	176	-56.1	0	0	0	0	112.7	L320 S322 T344 L376 F380 L387 L405	L320-V346 HydrophobicContact CD1-CG1 3.89Å; S322-V346 VanDerWaalsContact OG-CG2 3.26Å; S322-V346 WeakPolarHBondContact OG-CG2 3.49Å; S322-V346 PolarHBondContact OG-N 3.48Å; T344-V346 PolarHBondContact O-N 2.98Å; V346-L376 PolarHBondContact O-N 2.92Å; V346-F380 HydrophobicContact CB-CD1 3.66Å; V346-F380 HydrophobicContact CB-CE1 3.95Å; V346-F380 HydrophobicContact CB-CG 4.33Å; V346-F380 HydrophobicContact CG1-CB 3.95Å; V346-F380 HydrophobicContact CG1-CD1 3.66Å; V346-F380 HydrophobicContact CG1-CE1 4.44Å; V346-F380 HydrophobicContact CG1-CG 3.97Å; V346-L387 HydrophobicContact CG2-CD1 4.09Å; V346-L405 HydrophobicContact CB-CD2 4.15Å; V346-L405 HydrophobicContact CG2-CD1 4.24Å; V346-L405 HydrophobicContact CG2-CD2 3.9Å
347	L	94	Very high	83.8	Confident	10 Å²	10	85 Å²	85	5%	0.052	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	137.8	-179.7	-61.7	168.8	0	0	0	110.1	P325 F373 G374 L387 I401 L404 L405	P325-L347 HydrophobicContact CG-CB 4.26Å; L347-F373 HydrophobicContact CB-CD1 4.47Å; L347-F373 HydrophobicContact CD2-CB 4.19Å; L347-G374 CarbonylContact C-O 3.59Å; L347-G374 WeakPolarHBondContact CA-O 3.41Å; L347-L387 HydrophobicContact CD1-CD1 4.47Å; L347-I401 HydrophobicContact CD1-CG2 3.67Å; L347-I401 HydrophobicContact CD2-CG2 4.39Å; L347-L404 HydrophobicContact CD2-CD2 3.93Å; L347-L405 HydrophobicContact CD2-CD2 4.06Å
348	C	91	Very high	80.9	Confident	70 Å²	70	85.8 Å²	85.8	47%	0.473	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	118.6	169	179.8	0	0	0	0	109.3	F373 G374 L376	C348-F373 CarbonylContact O-C 3.58Å; C348-F373 WeakPolarHBondContact O-CA 3.35Å; C348-G374 PolarHBondContact N-O 3.39Å; C348-G374 PolarHBondContact O-N 2.89Å; C348-L376 HydrophobicContact CB-CD2 4.28Å; C348-L376 HydrophobicContact CB-CG 4.45Å
349	K	87.3	Confident	78.4	Confident	84 Å²	84	83.5 Å²	83.5	37%	0.365	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	127.9	178.9	-172.6	178.7	178.2	-177.5	0	110.7	P325 E326 R351 F373	P325-K349 HydrophobicContact CB-CB 4.44Å; P325-K349 HydrophobicContact CG-CB 4.09Å; E326-K349 HydrophobicContact CG-CD 3.94Å; E326-K349 IonicContact OE2-NZ 3.36Å; K349-R351 PolarHBondContact O-N 2.8Å; K349-R351 VanDerWaalsContact O-N 3.16Å; K349-F373 HydrophobicContact CB-CD1 4.2Å; K349-F373 HydrophobicContact CB-CE1 4.14Å; K349-F373 HydrophobicContact CD-CE1 4.49Å; K349-F373 HydrophobicContact CG-CD1 4.41Å; K349-F373 HydrophobicContact CG-CE1 4.03Å
350	N	83.8	Confident	75.5	Confident	71 Å²	71	87 Å²	87	38%	0.38	45%	0.454	S	S	.	.			trans	-77.1	101.9	172.5	-171.1	-15.7	0	0	0	110.5	Y352 V353 K372	N350-Y352 PolarHBondContact O-N 3.3Å; N350-Y352 PolarHBondContact OD1-N 3.26Å; N350-Y352 VanDerWaalsContact OD1-N 3.11Å; N350-V353 HydrophobicContact CB-CG2 3.82Å; N350-V353 VanDerWaalsContact CG-CG2 3.48Å; N350-V353 WeakPolarHBondContact ND2-CG2 3.38Å; N350-V353 PolarHBondContact O-N 2.96Å; N350-K372 PolarHBondContact N-O 3.48Å
351	R	80.7	Confident	73.4	Confident	196 Å²	196	87 Å²	87	74%	0.74	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-12.8	-177.5	-63.7	-178.7	177	160.3	3.1	114.5	E326 K349	E326-R351 IonicContact OE1-NE 3.99Å; E326-R351 IonicContact OE1-NH2 3.89Å; K349-R351 PolarHBondContact O-N 2.8Å; K349-R351 VanDerWaalsContact O-N 3.16Å
352	Y	73.7	Confident	71.2	Confident	219 Å²	219	90.3 Å²	90.3	86%	0.859	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-0.8	-178.2	-54.8	-77.7	0	0	0	113.1	N350 G354	N350-Y352 PolarHBondContact O-N 3.3Å; N350-Y352 PolarHBondContact OD1-N 3.26Å; N350-Y352 VanDerWaalsContact OD1-N 3.11Å; Y352-G354 PolarHBondContact O-N 3.38Å
353	V	69	Low	69.3	Low	50 Å²	50	96 Å²	96	30%	0.303	47%	0.472	S	S	.	.			trans	-86.2	99.9	175.5	-179.1	0	0	0	0	108.5	N350 K372	N350-V353 HydrophobicContact CB-CG2 3.82Å; N350-V353 VanDerWaalsContact CG-CG2 3.48Å; N350-V353 WeakPolarHBondContact ND2-CG2 3.38Å; N350-V353 PolarHBondContact O-N 2.96Å; V353-K372 HydrophobicContact CG1-CG 4.11Å
354	G	61.2	Low	67.3	Low	56 Å²	56	95.8 Å²	95.8	58%	0.577	48%	0.475	S	S	*	.			trans	-67.3	-178.1	170.4	0	0	0	0	0	112.7	Y352 T356	Y352-G354 PolarHBondContact O-N 3.38Å; G354-T356 PolarHBondContact O-N 2.86Å; G354-T356 VanDerWaalsContact O-N 3.08Å
355	R	57.1	Low	65.3	Low	109 Å²	109	100.8 Å²	100.8	41%	0.411	49%	0.49	S	S	.	.	S	Bend	trans	-53.6	121.7	169.6	-68.9	-171.4	-174.5	-159.1	-0	107.9	E5 E10 Q45 Y94 F357	E5-R355 IonicContact OE1-NH1 3.68Å; E10-R355 IonicContact OE2-NH2 2.85Å; Q45-R355 VanDerWaalsContact OE1-NE 3.09Å; Y94-R355 VanDerWaalsContact CE2-NH2 3.29Å; R355-F357 PolarHBondContact O-N 3.18Å
356	T	47.1	Very low	63.3	Low	71 Å²	71	102.4 Å²	102.4	44%	0.436	50%	0.497	S	S	.	.			trans	-59.9	109.5	179.6	22.1	0	0	0	0	109.2	G354	G354-T356 PolarHBondContact O-N 2.86Å; G354-T356 VanDerWaalsContact O-N 3.08Å
357	F	36.8	Very low	61.4	Low	189 Å²	189	106.2 Å²	106.2	83%	0.829	52%	0.517	S	S	*	.			trans	-52.7	147.3	166.5	-86.4	-94.6	0	0	0	110.2	R355 Q359	R355-F357 PolarHBondContact O-N 3.18Å; F357-Q359 WeakPolarHBondContact O-CG 3.46Å; F357-Q359 PolarHBondContact O-N 2.91Å
358	I	37.3	Very low	59.8	Low	141 Å²	141	106.1 Å²	106.1	72%	0.723	52%	0.518	S	S	*	.			trans	-31.6	106.9	180	-60.8	168.8	0	0	0	110.6	F3	F3-I358 HydrophobicContact CE1-CG1 4.41Å
359	Q	44.6	Very low	58.2	Low	46 Å²	46	104.1 Å²	104.1	22%	0.215	50%	0.504	C	S	.	.			trans	-94.2	118.3	177.8	-64.4	-155.5	-12.2	0	0	109.1	F357 N361 L364	F357-Q359 WeakPolarHBondContact O-CG 3.46Å; F357-Q359 PolarHBondContact O-N 2.91Å; Q359-N361 PolarHBondContact O-N 2.91Å; Q359-L364 HydrophobicContact CB-CB 4.32Å; Q359-L364 VanDerWaalsContact OE1-CB 3.28Å; Q359-L364 PolarHBondContact OE1-O 3.1Å
360	P	38.4	Very low	56.7	Low	121 Å²	121	102.9 Å²	102.9	79%	0.786	51%	0.509	S	S	*	.	S	Bend	trans	-72.2	-1.1	-166.5	25.8	-33.9	0	0	0	115
361	N	54.6	Low	55.6	Low	71 Å²	71	104.5 Å²	104.5	38%	0.38	51%	0.513	S	S	.	.	S	Bend	trans	-144.6	152.5	177.9	77.1	41.5	0	0	0	113.9	Q359 R363 L364 R365	Q359-N361 PolarHBondContact O-N 2.91Å; N361-R363 VanDerWaalsContact C-N 3.27Å; N361-R363 PolarHBondContact O-N 2.96Å; N361-R363 WeakPolarHBondContact OD1-CB 3.45Å; N361-R363 PolarHBondContact OD1-N 2.98Å; N361-L364 WeakPolarHBondContact ND2-CD1 3.09Å; N361-L364 PolarHBondContact O-N 3.46Å; N361-L364 VanDerWaalsContact OD1-CB 3.3Å; N361-L364 WeakPolarHBondContact OD1-CB 3.31Å; N361-L364 VanDerWaalsContact OD1-CG 3.26Å; N361-L364 WeakPolarHBondContact OD1-CG 3.28Å; N361-L364 PolarHBondContact OD1-N 3.27Å; N361-R365 PolarHBondContact O-N 2.94Å
362	T	51.4	Low	55.4	Low	107 Å²	107	98.9 Å²	98.9	66%	0.656	49%	0.494	S	S	*	.	H	α-helix	trans	-60.2	-32.4	-179.5	-47.3	0	0	0	0	113.1	R365 Q366	T362-R365 WeakPolarHBondContact O-CB 3.41Å; T362-R365 PolarHBondContact O-N 3.42Å; T362-Q366 WeakPolarHBondContact O-CG 2.92Å; T362-Q366 PolarHBondContact O-N 2.96Å
363	R	58.2	Low	55.9	Low	194 Å²	194	89.3 Å²	89.3	73%	0.732	46%	0.457	S	S	*	.	H	α-helix	trans	-65.5	-45.4	178.7	177.5	178.1	174.6	163.3	-0	112.4	N361 R365 Q366 L367	N361-R363 VanDerWaalsContact C-N 3.27Å; N361-R363 PolarHBondContact O-N 2.96Å; N361-R363 WeakPolarHBondContact OD1-CB 3.45Å; N361-R363 PolarHBondContact OD1-N 2.98Å; R363-R365 VanDerWaalsContact C-N 3.33Å; R363-Q366 PolarHBondContact O-N 3.27Å; R363-L367 HydrophobicContact CG-CD1 4.37Å; R363-L367 WeakPolarHBondContact O-CG 3.45Å; R363-L367 PolarHBondContact O-N 3.19Å
364	L	56.5	Low	56.7	Low	58 Å²	58	88.7 Å²	88.7	30%	0.304	46%	0.461	S	S	.	.	H	α-helix	trans	-69.4	-35	178.7	-71.3	171.8	0	0	0	110.7	Q359 N361 L367 G368	Q359-L364 HydrophobicContact CB-CB 4.32Å; Q359-L364 VanDerWaalsContact OE1-CB 3.28Å; Q359-L364 PolarHBondContact OE1-O 3.1Å; N361-L364 WeakPolarHBondContact ND2-CD1 3.09Å; N361-L364 PolarHBondContact O-N 3.46Å; N361-L364 VanDerWaalsContact OD1-CB 3.3Å; N361-L364 WeakPolarHBondContact OD1-CB 3.31Å; N361-L364 VanDerWaalsContact OD1-CG 3.26Å; N361-L364 WeakPolarHBondContact OD1-CG 3.28Å; N361-L364 PolarHBondContact OD1-N 3.27Å; L364-L367 HydrophobicContact CD2-CD1 4.34Å; L364-L367 CarbonylContact O-C 3.56Å; L364-L367 PolarHBondContact O-N 3.1Å; L364-G368 PolarHBondContact O-N 3.27Å
365	R	55.1	Low	58.2	Low	139 Å²	139	88.2 Å²	88.2	53%	0.525	45%	0.446	S	S	.	.	H	α-helix	trans	-59.6	-46.6	171.1	-111.3	179.1	176.4	164.6	-2.2	112.4	N361 T362 R363 L367 G368	N361-R365 PolarHBondContact O-N 2.94Å; T362-R365 WeakPolarHBondContact O-CB 3.41Å; T362-R365 PolarHBondContact O-N 3.42Å; R363-R365 VanDerWaalsContact C-N 3.33Å; R365-L367 VanDerWaalsContact C-N 3.33Å; R365-L367 PolarHBondContact O-N 3.3Å; R365-G368 PolarHBondContact O-N 3.42Å
366	Q	54.3	Low	60	Low	148 Å²	148	85.7 Å²	85.7	69%	0.692	44%	0.441	S	S	*	.	H	α-helix	trans	-64.9	-35.4	175.6	-73.2	178.3	-13.3	0	0	112.5	T362 R363 G368	T362-Q366 WeakPolarHBondContact O-CG 2.92Å; T362-Q366 PolarHBondContact O-N 2.96Å; R363-Q366 PolarHBondContact O-N 3.27Å; Q366-G368 PolarHBondContact O-N 2.96Å
367	L	58.2	Low	62.4	Low	80 Å²	80	85 Å²	85	42%	0.419	44%	0.436	S	S	.	.	H	α-helix	trans	-69.4	-14.7	171.5	-71.4	166.8	0	0	0	113.3	R363 L364 R365 V369 A370 K371	R363-L367 HydrophobicContact CG-CD1 4.37Å; R363-L367 WeakPolarHBondContact O-CG 3.45Å; R363-L367 PolarHBondContact O-N 3.19Å; L364-L367 HydrophobicContact CD2-CD1 4.34Å; L364-L367 CarbonylContact O-C 3.56Å; L364-L367 PolarHBondContact O-N 3.1Å; R365-L367 VanDerWaalsContact C-N 3.33Å; R365-L367 PolarHBondContact O-N 3.3Å; L367-V369 PolarHBondContact O-N 2.72Å; L367-A370 PolarHBondContact O-N 3.22Å; L367-K371 WeakPolarHBondContact O-CG 3.48Å; L367-K371 PolarHBondContact O-N 2.91Å
368	G	59.3	Low	65.2	Low	8 Å²	8	83.6 Å²	83.6	8%	0.082	44%	0.438	C	S	.	.	H	α-helix	trans	-64.6	-33.8	-176.8	0	0	0	0	0	114.1	L364 R365 Q366 K371 K372	L364-G368 PolarHBondContact O-N 3.27Å; R365-G368 PolarHBondContact O-N 3.42Å; Q366-G368 PolarHBondContact O-N 2.96Å; G368-K371 PolarHBondContact O-N 2.87Å; G368-K372 PolarHBondContact O-N 2.9Å
369	V	57	Low	68.1	Low	29 Å²	29	79.8 Å²	79.8	18%	0.176	42%	0.419	C	S	.	.	H	α-helix	trans	-74.1	-42.2	176.1	-177.2	0	0	0	0	110.7	L367 K371 K372 F373 P400 I401	L367-V369 PolarHBondContact O-N 2.72Å; V369-K371 PolarHBondContact O-N 3.49Å; V369-K372 PolarHBondContact O-N 3.05Å; V369-F373 PolarHBondContact O-N 3.39Å; V369-P400 HydrophobicContact CB-CB 4.07Å; V369-P400 HydrophobicContact CB-CG 4.39Å; V369-P400 HydrophobicContact CG1-CB 3.89Å; V369-P400 HydrophobicContact CG1-CG 4.39Å; V369-P400 HydrophobicContact CG2-CG 4.29Å; V369-I401 HydrophobicContact CG1-CG1 4.21Å
370	A	56.5	Low	70.6	Confident	57 Å²	57	77.6 Å²	77.6	47%	0.471	41%	0.409	S	S	.	.	H	α-helix	trans	-62.6	-24.3	173.3	0	0	0	0	0	113.2	L367	L367-A370 PolarHBondContact O-N 3.22Å
371	K	61.6	Low	73.4	Confident	105 Å²	105	74.5 Å²	74.5	46%	0.457	39%	0.393	S	S	.	.	H	α-helix	trans	-74.2	-26.1	172.2	-77	178.7	178.9	-175.5	0	113.5	L367 G368 V369	L367-K371 WeakPolarHBondContact O-CG 3.48Å; L367-K371 PolarHBondContact O-N 2.91Å; G368-K371 PolarHBondContact O-N 2.87Å; V369-K371 PolarHBondContact O-N 3.49Å
372	K	74.7	Confident	75.5	Confident	78 Å²	78	73.7 Å²	73.7	34%	0.339	40%	0.402	S	S	.	.	H	α-helix	trans	-82.6	-28.6	-175.5	-73.6	-179.8	-179.2	-175.5	0	112.9	N350 V353 G368 V369	N350-K372 PolarHBondContact N-O 3.48Å; V353-K372 HydrophobicContact CG1-CG 4.11Å; G368-K372 PolarHBondContact O-N 2.9Å; V369-K372 PolarHBondContact O-N 3.05Å
373	F	84.2	Confident	77.7	Confident	19 Å²	19	72.5 Å²	72.5	8%	0.083	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	128.5	-175.9	-55.9	-77.6	0	0	0	111.4	V324 P325 L347 C348 K349 V369 I401	V324-F373 HydrophobicContact CG1-CZ 4.14Å; P325-F373 HydrophobicContact CG-CD1 4.14Å; P325-F373 HydrophobicContact CG-CE1 3.92Å; L347-F373 HydrophobicContact CB-CD1 4.47Å; L347-F373 HydrophobicContact CD2-CB 4.19Å; C348-F373 CarbonylContact O-C 3.58Å; C348-F373 WeakPolarHBondContact O-CA 3.35Å; K349-F373 HydrophobicContact CB-CD1 4.2Å; K349-F373 HydrophobicContact CB-CE1 4.14Å; K349-F373 HydrophobicContact CD-CE1 4.49Å; K349-F373 HydrophobicContact CG-CD1 4.41Å; K349-F373 HydrophobicContact CG-CE1 4.03Å; V369-F373 PolarHBondContact O-N 3.39Å; F373-I401 HydrophobicContact CD2-CD1 4.17Å; F373-I401 HydrophobicContact CD2-CG1 4.36Å; F373-I401 HydrophobicContact CE2-CD1 3.96Å
374	G	87.6	Confident	79.7	Confident	37 Å²	37	65.9 Å²	65.9	38%	0.381	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	142.6	165.8	0	0	0	0	0	110.5	L347 C348	L347-G374 CarbonylContact C-O 3.59Å; L347-G374 WeakPolarHBondContact CA-O 3.41Å; C348-G374 PolarHBondContact N-O 3.39Å; C348-G374 PolarHBondContact O-N 2.89Å
375	V	92.1	Very high	81.7	Confident	45 Å²	45	63.1 Å²	63.1	27%	0.273	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	136.9	-178.9	-159.4	0	0	0	0	110.3	F380 L404 L405 A408	V375-F380 HydrophobicContact CG1-CE1 3.52Å; V375-F380 HydrophobicContact CG1-CZ 3.4Å; V375-L404 HydrophobicContact CB-CD2 4.15Å; V375-L404 HydrophobicContact CG1-CD2 4.02Å; V375-L404 HydrophobicContact CG2-CD1 3.65Å; V375-L404 HydrophobicContact CG2-CD2 3.15Å; V375-L404 HydrophobicContact CG2-CG 3.37Å; V375-L405 HydrophobicContact CG1-CD2 4.16Å; V375-A408 HydrophobicContact CB-CB 4.49Å; V375-A408 HydrophobicContact CG1-CB 3.65Å
376	L	95.5	Very high	83.7	Confident	57 Å²	57	56.5 Å²	56.5	30%	0.298	32%	0.323	S	S	.	.			trans	-102.2	65.5	176.3	-58.1	177.4	0	0	0	110.1	E345 V346 C348 D378 N379 F380	E345-L376 HydrophobicContact CB-CD1 3.94Å; V346-L376 PolarHBondContact O-N 2.92Å; C348-L376 HydrophobicContact CB-CD2 4.28Å; C348-L376 HydrophobicContact CB-CG 4.45Å; L376-D378 VanDerWaalsContact C-N 3.3Å; L376-D378 PolarHBondContact O-N 3.49Å; L376-N379 VanDerWaalsContact O-CB 3.3Å; L376-N379 WeakPolarHBondContact O-CB 3.34Å; L376-N379 PolarHBondContact O-N 3.26Å; L376-F380 WeakPolarHBondContact O-CD1 3.45Å; L376-F380 WeakPolarHBondContact O-CE1 3.28Å
377	T	95.8	Very high	85.8	Confident	56 Å²	56	49.4 Å²	49.4	34%	0.344	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-50	-43.5	-169.6	-58.8	0	0	0	0	114.4	N379 F380 A381 A408	T377-N379 PolarHBondContact O-N 2.87Å; T377-F380 PolarHBondContact O-N 3.01Å; T377-F380 VanDerWaalsContact O-N 3.08Å; T377-A381 HydrophobicContact CG2-CB 4.07Å; T377-A381 PolarHBondContact O-N 3.08Å; T377-A408 HydrophobicContact CG2-CB 4.48Å; T377-A408 WeakPolarHBondContact CG2-O 3.25Å
378	D	97	Very high	87.7	Confident	160 Å²	160	45.6 Å²	45.6	86%	0.856	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-56.6	-24.1	-178.8	-67.6	-8.5	0	0	0	113.1	L376	L376-D378 VanDerWaalsContact C-N 3.3Å; L376-D378 PolarHBondContact O-N 3.49Å
379	N	97.3	Very high	89.5	Confident	61 Å²	61	45.9 Å²	45.9	33%	0.326	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-77.7	-27.5	-177.6	-68.5	-4.2	0	0	0	113	T344 E345 L376 T377 K383	T344-N379 HydrophobicContact CG2-CB 3.66Å; E345-N379 PolarHBondContact O-ND2 2.87Å; L376-N379 VanDerWaalsContact O-CB 3.3Å; L376-N379 WeakPolarHBondContact O-CB 3.34Å; L376-N379 PolarHBondContact O-N 3.26Å; T377-N379 PolarHBondContact O-N 2.87Å; N379-K383 PolarHBondContact O-NZ 2.93Å
380	F	97.1	Very high	91.2	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.7	-1.5	-167.3	73.5	-91.1	0	0	0	116.5	L320 V346 V375 L376 T377 G382 K383 V385 L405 A408 A410	L320-F380 HydrophobicContact CD2-CB 3.89Å; V346-F380 HydrophobicContact CB-CD1 3.66Å; V346-F380 HydrophobicContact CB-CE1 3.95Å; V346-F380 HydrophobicContact CB-CG 4.33Å; V346-F380 HydrophobicContact CG1-CB 3.95Å; V346-F380 HydrophobicContact CG1-CD1 3.66Å; V346-F380 HydrophobicContact CG1-CE1 4.44Å; V346-F380 HydrophobicContact CG1-CG 3.97Å; V375-F380 HydrophobicContact CG1-CE1 3.52Å; V375-F380 HydrophobicContact CG1-CZ 3.4Å; L376-F380 WeakPolarHBondContact O-CD1 3.45Å; L376-F380 WeakPolarHBondContact O-CE1 3.28Å; T377-F380 PolarHBondContact O-N 3.01Å; T377-F380 VanDerWaalsContact O-N 3.08Å; F380-G382 PolarHBondContact O-N 2.93Å; F380-K383 VanDerWaalsContact O-CB 3.27Å; F380-K383 WeakPolarHBondContact O-CB 3.21Å; F380-K383 PolarHBondContact O-N 3.25Å; F380-V385 HydrophobicContact CB-CG2 4Å; F380-V385 HydrophobicContact CD2-CG2 4.26Å; F380-V385 HydrophobicContact CG-CG2 4.39Å; F380-L405 HydrophobicContact CE1-CD2 3.93Å; F380-L405 HydrophobicContact CE2-CB 4.34Å; F380-L405 HydrophobicContact CE2-CD2 4.05Å; F380-L405 WeakPolarHBondContact CE2-O 3.29Å; F380-L405 HydrophobicContact CZ-CD2 3.54Å; F380-A408 HydrophobicContact CE2-CB 4.16Å; F380-A408 HydrophobicContact CZ-CB 3.71Å; F380-A410 HydrophobicContact CD2-CB 3.85Å; F380-A410 HydrophobicContact CE2-CB 3.87Å
381	A	97.9	Very high	93	Very high	56 Å²	56	43 Å²	43	46%	0.463	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	128.9	176.9	0	0	0	0	0	111.6	T377 K383	T377-A381 HydrophobicContact CG2-CB 4.07Å; T377-A381 PolarHBondContact O-N 3.08Å; A381-K383 VanDerWaalsContact C-N 3.31Å; A381-K383 PolarHBondContact O-N 2.79Å
382	G	98.1	Very high	94.4	Very high	54 Å²	54	38.4 Å²	38.4	56%	0.557	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.3	4.6	-176.5	0	0	0	0	0	115.4	F380 G409	F380-G382 PolarHBondContact O-N 2.93Å; G382-G409 PolarHBondContact N-O 3.34Å
383	K	98.5	Very high	94.9	Very high	81 Å²	81	35.1 Å²	35.1	35%	0.352	21%	0.213	S	C	.	.			trans	-107.7	155.3	-176.6	-57.7	-174.2	-170.5	164.4	0	113	D319 L320 N379 F380 A381 A410 T411	D319-K383 HydrophobicContact CB-CB 4.1Å; D319-K383 HydrophobicContact CB-CD 4.4Å; D319-K383 HydrophobicContact CB-CG 4.45Å; D319-K383 WeakPolarHBondContact OD2-CA 3.47Å; L320-K383 HydrophobicContact CD2-CB 4.46Å; L320-K383 HydrophobicContact CD2-CD 3.71Å; N379-K383 PolarHBondContact O-NZ 2.93Å; F380-K383 VanDerWaalsContact O-CB 3.27Å; F380-K383 WeakPolarHBondContact O-CB 3.21Å; F380-K383 PolarHBondContact O-N 3.25Å; A381-K383 VanDerWaalsContact C-N 3.31Å; A381-K383 PolarHBondContact O-N 2.79Å; K383-A410 WeakPolarHBondContact O-CA 3.2Å; K383-T411 PolarHBondContact O-N 2.86Å; K383-T411 PolarHBondContact O-OG1 3.33Å
384	R	98.7	Very high	94.8	Very high	55 Å²	55	36.1 Å²	36.1	21%	0.208	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	126.6	167.3	-55.8	176.6	-66.6	165.2	9.1	109	D317 V318 D319 L320 T411 E412	D317-R384 VanDerWaalsContact CG-NH1 3.31Å; D317-R384 VanDerWaalsContact O-CZ 3.3Å; D317-R384 PolarHBondContact O-NH1 2.65Å; D317-R384 IonicContact OD1-CZ 2.73Å; D317-R384 IonicContact OD1-NH1 3.15Å; D317-R384 IonicContact OD1-NH2 3.64Å; D317-R384 PolarHBondContact OD1-NH2 3.06Å; D317-R384 IonicContact OD2-CZ 3.29Å; D317-R384 IonicContact OD2-NH1 3.9Å; D317-R384 PolarHBondContact OD2-NH1 3Å; D317-R384 IonicContact OD2-NH2 3.68Å; V318-R384 HydrophobicContact CB-CB 3.99Å; V318-R384 HydrophobicContact CG1-CB 4.12Å; D319-R384 PolarHBondContact N-O 3.37Å; D319-R384 IonicContact OD1-CZ 3.63Å; D319-R384 IonicContact OD1-NE 3.72Å; D319-R384 PolarHBondContact OD1-NE 3.07Å; D319-R384 IonicContact OD1-NH2 3.78Å; D319-R384 PolarHBondContact OD1-NH2 3.01Å; D319-R384 VanDerWaalsContact OD1-NH2 3.16Å; D319-R384 PolarHBondContact OD2-N 3.01Å; D319-R384 IonicContact OD2-NE 2.72Å; L320-R384 PolarHBondContact N-O 3.36Å; R384-T411 WeakPolarHBondContact CG-OG1 3.38Å; R384-T411 PolarHBondContact N-OG1 2.98Å; R384-E412 HydrophobicContact CB-CB 4.04Å; R384-E412 VanDerWaalsContact CD-OE2 3.26Å; R384-E412 WeakPolarHBondContact CD-OE2 3.19Å; R384-E412 HydrophobicContact CG-CB 3.92Å; R384-E412 HydrophobicContact CG-CG 4.05Å
385	V	98.5	Very high	94.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	132.1	-173.3	177.7	0	0	0	0	109.7	L320 F380 A410 E412 V413 H414	L320-V385 HydrophobicContact CD1-CB 4.22Å; L320-V385 HydrophobicContact CD1-CG1 3.74Å; L320-V385 HydrophobicContact CD1-CG2 3.89Å; L320-V385 HydrophobicContact CD2-CG2 4.47Å; L320-V385 HydrophobicContact CG-CG2 4.15Å; F380-V385 HydrophobicContact CB-CG2 4Å; F380-V385 HydrophobicContact CD2-CG2 4.26Å; F380-V385 HydrophobicContact CG-CG2 4.39Å; V385-A410 HydrophobicContact CG2-CB 4.43Å; V385-E412 PolarHBondContact N-O 2.83Å; V385-V413 WeakPolarHBondContact O-CA 3.24Å; V385-H414 PolarHBondContact O-N 3.29Å
386	V	98.6	Very high	93.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	123.4	159.7	67.6	0	0	0	0	110.1	T316 V318 L320 V321 S322 Y335 I388 H414 R416	T316-V386 HydrophobicContact CG2-CB 3.83Å; T316-V386 HydrophobicContact CG2-CG1 4.28Å; T316-V386 HydrophobicContact CG2-CG2 3.9Å; V318-V386 HydrophobicContact CG1-CB 4.49Å; V318-V386 HydrophobicContact CG2-CB 3.91Å; V318-V386 HydrophobicContact CG2-CG1 3.69Å; L320-V386 PolarHBondContact O-N 3.32Å; V321-V386 WeakPolarHBondContact CA-O 3.35Å; V321-V386 HydrophobicContact CB-CG1 4.04Å; V321-V386 HydrophobicContact CG1-CG1 4.21Å; V321-V386 HydrophobicContact CG2-CG1 3.55Å; S322-V386 PolarHBondContact N-O 2.93Å; Y335-V386 HydrophobicContact CE1-CG1 4.04Å; V386-I388 HydrophobicContact CG2-CD1 3.98Å; V386-H414 CarbonylContact C-O 3.55Å; V386-H414 WeakPolarHBondContact CA-O 3.48Å; V386-H414 HydrophobicContact CB-CB 4.27Å; V386-H414 HydrophobicContact CG2-CB 4.1Å; V386-R416 HydrophobicContact CG2-CB 4.3Å; V386-R416 HydrophobicContact CG2-CG 3.49Å; V386-R416 VanDerWaalsContact CG2-CG 3.49Å
387	L	97.9	Very high	92.9	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	119.5	179.7	-165.2	71.7	0	0	0	109.3	T323 V324 V346 L347 I398 I401 L405 H414 I415 R416	T323-L387 VanDerWaalsContact C-CD1 3.42Å; T323-L387 WeakPolarHBondContact O-CD1 3.39Å; V324-L387 HydrophobicContact CG2-CD2 3.68Å; V324-L387 HydrophobicContact CG2-CG 4.02Å; V346-L387 HydrophobicContact CG2-CD1 4.09Å; L347-L387 HydrophobicContact CD1-CD1 4.47Å; L387-I398 HydrophobicContact CD2-CD1 3.84Å; L387-I401 HydrophobicContact CD2-CG2 3.78Å; L387-L405 HydrophobicContact CD2-CD1 4.21Å; L387-H414 PolarHBondContact N-O 2.81Å; L387-I415 HydrophobicContact CB-CD1 3.85Å; L387-I415 HydrophobicContact CD2-CD1 4.16Å; L387-I415 WeakPolarHBondContact O-CA 3.35Å; L387-R416 PolarHBondContact O-N 3.2Å
388	I	98.3	Very high	92.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	126.4	177.3	-44.6	-53.9	0	0	0	109.7	L310 V321 S322 T323 V324 A328 A331 A332 Y335 V386 R416 A418	L310-I388 HydrophobicContact CD2-CG2 4.36Å; V321-I388 HydrophobicContact CG1-CD1 4.36Å; V321-I388 HydrophobicContact CG1-CG1 3.89Å; S322-I388 PolarHBondContact O-N 3.21Å; T323-I388 VanDerWaalsContact CA-O 3.26Å; T323-I388 WeakPolarHBondContact CA-O 3.48Å; T323-I388 PolarHBondContact OG1-O 2.79Å; V324-I388 PolarHBondContact N-O 2.79Å; V324-I388 VanDerWaalsContact N-O 3.12Å; A328-I388 WeakPolarHBondContact CB-O 3.49Å; A331-I388 HydrophobicContact CB-CG2 4.06Å; A332-I388 HydrophobicContact CB-CB 3.88Å; A332-I388 HydrophobicContact CB-CG1 3.84Å; Y335-I388 HydrophobicContact CD1-CD1 4.18Å; Y335-I388 HydrophobicContact CD2-CD1 3.88Å; Y335-I388 HydrophobicContact CE2-CD1 4.3Å; Y335-I388 HydrophobicContact CG-CD1 3.82Å; Y335-I388 HydrophobicContact CG-CG1 4.41Å; V386-I388 HydrophobicContact CG2-CD1 3.98Å; I388-R416 VanDerWaalsContact CA-O 3.32Å; I388-R416 WeakPolarHBondContact CA-O 3.12Å; I388-R416 HydrophobicContact CD1-CB 3.57Å; I388-R416 HydrophobicContact CD1-CG 4.1Å; I388-A418 HydrophobicContact CG2-CB 4.43Å
389	D	96	Very high	92.2	Very high	14 Å²	14	26.4 Å²	26.4	8%	0.075	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	159.2	173.2	-152.7	-11.2	0	0	0	110.2	V324 R416 V417 A418	V324-D389 HydrophobicContact CG2-CB 4.32Å; D389-R416 PolarHBondContact N-O 3.39Å; D389-V417 WeakPolarHBondContact O-CA 3.46Å; D389-A418 PolarHBondContact O-N 2.72Å
390	D	94.3	Very high	91.8	Very high	10 Å²	10	25.9 Å²	25.9	5%	0.053	16%	0.157	C	C	.	.	S	Bend	trans	-79.1	-41.7	-179.1	58.9	75.2	0	0	0	111.8	Y286 S327 A328 S419	Y286-D390 VanDerWaalsContact CD2-CG 3.5Å; Y286-D390 VanDerWaalsContact CD2-OD1 3.26Å; Y286-D390 WeakPolarHBondContact CD2-OD1 3.37Å; Y286-D390 WeakPolarHBondContact CD2-OD2 3.47Å; S327-D390 VanDerWaalsContact CB-OD2 3.28Å; S327-D390 WeakPolarHBondContact CB-OD2 3.39Å; S327-D390 PolarHBondContact OG-OD2 2.69Å; A328-D390 HydrophobicContact CB-CB 4.26Å; D390-S419 VanDerWaalsContact O-CB 3.24Å; D390-S419 WeakPolarHBondContact O-CB 3.32Å; D390-S419 PolarHBondContact O-N 3.02Å; D390-S419 PolarHBondContact O-OG 2.85Å; D390-S419 VanDerWaalsContact O-OG 3.12Å
391	S	92.8	Very high	91.5	Very high	15 Å²	15	26 Å²	26	11%	0.105	16%	0.158	C	C	.	.			trans	-160.1	155.2	-175.2	64.7	0	0	0	0	111.6
392	I	90.8	Very high	91.3	Very high	9 Å²	9	23.3 Å²	23.3	5%	0.046	14%	0.136	C	C	.	.			trans	-126.2	112.3	171.8	-57	179.6	0	0	0	108.8	I398 I415 V417 I439 Y459	I392-I398 HydrophobicContact CD1-CG2 4.38Å; I392-I415 HydrophobicContact CD1-CG2 4.24Å; I392-V417 HydrophobicContact CD1-CG2 3.55Å; I392-V417 HydrophobicContact CG1-CG1 4.47Å; I392-V417 HydrophobicContact CG1-CG2 3.83Å; I392-I439 HydrophobicContact CG2-CG2 4.06Å; I392-Y459 HydrophobicContact CB-CE1 4.47Å
393	V	87	Confident	91.1	Very high	8 Å²	8	26.8 Å²	26.8	5%	0.048	14%	0.135	C	C	.	.	S	Bend	trans	-94.3	-56.4	179.9	-171	0	0	0	0	111.6	I8 I422 P433 L438 I439	I8-V393 HydrophobicContact CD1-CG2 4.05Å; I8-V393 HydrophobicContact CG1-CG2 3.35Å; V393-I422 HydrophobicContact CG2-CD1 3.97Å; V393-P433 HydrophobicContact CG1-CG 3.82Å; V393-L438 HydrophobicContact CG1-CD2 3.64Å; V393-I439 VanDerWaalsContact O-CG2 3.29Å; V393-I439 WeakPolarHBondContact O-CG2 3.35Å; V393-I439 PolarHBondContact O-N 3.3Å
394	R	81.6	Confident	90.7	Very high	40 Å²	40	24.4 Å²	24.4	15%	0.151	13%	0.127	C	C	.	.	S	Bend	trans	-120.2	-11.9	-175.4	-60	-177.3	-174.4	-146.9	-5.2	113.9	E5 N396 E437	E5-R394 PolarHBondContact O-NE 3.03Å; R394-N396 PolarHBondContact O-N 3.28Å; R394-E437 IonicContact CZ-OE1 3.71Å; R394-E437 VanDerWaalsContact CZ-OE1 3.29Å; R394-E437 IonicContact NH1-OE1 2.89Å; R394-E437 PolarHBondContact NH1-OE1 3.12Å; R394-E437 IonicContact NH2-OE1 2.68Å; R394-E437 PolarHBondContact NH2-OE1 3.04Å; R394-E437 IonicContact NH2-OE2 3.8Å
395	G	76	Confident	90.6	Very high	5 Å²	5	21.8 Å²	21.8	5%	0.052	12%	0.117	C	C	.	.	S	Bend	trans	78	-6.3	-178.7	0	0	0	0	0	116.2	T397 S399	G395-T397 VanDerWaalsContact C-N 3.3Å; G395-T397 PolarHBondContact O-N 3.46Å; G395-S399 PolarHBondContact O-N 3.15Å; G395-S399 PolarHBondContact O-OG 3.03Å
396	N	78.3	Confident	90.4	Very high	70 Å²	70	25.9 Å²	25.9	37%	0.374	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-22.1	-174.4	-66.7	-15	0	0	0	114.5	R394 P400	R394-N396 PolarHBondContact O-N 3.28Å; N396-P400 WeakPolarHBondContact O-CD 3.18Å; N396-P400 WeakPolarHBondContact O-CG 3.46Å
397	T	80.7	Confident	90.2	Very high	42 Å²	42	32.7 Å²	32.7	26%	0.258	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-43.9	179.6	-51.8	0	0	0	0	112	G395 P400 I401	G395-T397 VanDerWaalsContact C-N 3.3Å; G395-T397 PolarHBondContact O-N 3.46Å; T397-P400 WeakPolarHBondContact O-CD 3.46Å; T397-I401 HydrophobicContact CG2-CD1 4.2Å; T397-I401 WeakPolarHBondContact O-CD1 3.41Å; T397-I401 WeakPolarHBondContact O-CG1 3.15Å
398	I	88.4	Confident	90.1	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.015	17%	0.173	C	C	.	.	H	α-helix	trans	-75.7	-36.2	-172.1	-164.2	64.9	0	0	0	112.3	V324 L387 I392 I401 I402 I415 I452	V324-I398 HydrophobicContact CG2-CD1 3.73Å; L387-I398 HydrophobicContact CD2-CD1 3.84Å; I392-I398 HydrophobicContact CD1-CG2 4.38Å; I398-I401 WeakPolarHBondContact O-CB 3.34Å; I398-I401 PolarHBondContact O-N 2.88Å; I398-I401 VanDerWaalsContact O-N 3.08Å; I398-I402 HydrophobicContact CG1-CD1 3.96Å; I398-I402 HydrophobicContact CG1-CG1 4.33Å; I398-I402 WeakPolarHBondContact O-CG1 3.46Å; I398-I402 PolarHBondContact O-N 2.86Å; I398-I415 HydrophobicContact CD1-CD1 4.07Å; I398-I415 HydrophobicContact CG1-CD1 4.05Å; I398-I415 HydrophobicContact CG1-CG1 4.35Å; I398-I452 HydrophobicContact CG2-CB 4.37Å; I398-I452 HydrophobicContact CG2-CD1 3.95Å; I398-I452 HydrophobicContact CG2-CG2 4.22Å
399	S	89.4	Confident	90	Very high	31 Å²	31	35.2 Å²	35.2	22%	0.217	19%	0.187	C	C	.	.	H	α-helix	trans	-61	-46.3	-177.1	-42.7	0	0	0	0	112.8	G395 I401 I402 K403 I452	G395-S399 PolarHBondContact O-N 3.15Å; G395-S399 PolarHBondContact O-OG 3.03Å; S399-I401 VanDerWaalsContact C-N 3.31Å; S399-I401 PolarHBondContact O-N 2.93Å; S399-I402 PolarHBondContact O-N 3.1Å; S399-K403 PolarHBondContact O-N 2.96Å; S399-K403 VanDerWaalsContact O-N 3.12Å; S399-I452 WeakPolarHBondContact OG-CB 3.11Å; S399-I452 WeakPolarHBondContact OG-CG2 3.36Å
400	P	88.6	Confident	90.1	Very high	50 Å²	50	34.9 Å²	34.9	33%	0.325	19%	0.187	S	C	.	.	H	α-helix	trans	-63.6	-32.8	173.3	-23	34.3	0	0	0	113.9	V369 N396 T397 L404	V369-P400 HydrophobicContact CB-CB 4.07Å; V369-P400 HydrophobicContact CB-CG 4.39Å; V369-P400 HydrophobicContact CG1-CB 3.89Å; V369-P400 HydrophobicContact CG1-CG 4.39Å; V369-P400 HydrophobicContact CG2-CG 4.29Å; N396-P400 WeakPolarHBondContact O-CD 3.18Å; N396-P400 WeakPolarHBondContact O-CG 3.46Å; T397-P400 WeakPolarHBondContact O-CD 3.46Å; P400-L404 VanDerWaalsContact O-CB 3.27Å; P400-L404 WeakPolarHBondContact O-CB 3.37Å; P400-L404 PolarHBondContact O-N 2.97Å
401	I	91.3	Very high	90.3	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-66.1	-47.5	177.5	-68.1	170.9	0	0	0	110	V324 L347 V369 F373 L387 T397 I398 S399 K403 L404 L405	V324-I401 HydrophobicContact CG1-CD1 3.97Å; V324-I401 HydrophobicContact CG2-CD1 4.13Å; L347-I401 HydrophobicContact CD1-CG2 3.67Å; L347-I401 HydrophobicContact CD2-CG2 4.39Å; V369-I401 HydrophobicContact CG1-CG1 4.21Å; F373-I401 HydrophobicContact CD2-CD1 4.17Å; F373-I401 HydrophobicContact CD2-CG1 4.36Å; F373-I401 HydrophobicContact CE2-CD1 3.96Å; L387-I401 HydrophobicContact CD2-CG2 3.78Å; T397-I401 HydrophobicContact CG2-CD1 4.2Å; T397-I401 WeakPolarHBondContact O-CD1 3.41Å; T397-I401 WeakPolarHBondContact O-CG1 3.15Å; I398-I401 WeakPolarHBondContact O-CB 3.34Å; I398-I401 PolarHBondContact O-N 2.88Å; I398-I401 VanDerWaalsContact O-N 3.08Å; S399-I401 VanDerWaalsContact C-N 3.31Å; S399-I401 PolarHBondContact O-N 2.93Å; I401-K403 VanDerWaalsContact C-N 3.33Å; I401-K403 PolarHBondContact O-N 3.47Å; I401-L404 PolarHBondContact O-N 3.08Å; I401-L405 HydrophobicContact CG2-CD1 4.26Å; I401-L405 HydrophobicContact CG2-CG 4.48Å; I401-L405 WeakPolarHBondContact O-CG 3.49Å; I401-L405 PolarHBondContact O-N 2.79Å
402	I	94.1	Very high	90.5	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-57.1	-48.7	177.2	-66.8	157.8	0	0	0	110.6	I398 S399 L404 L405 R406 V413 I415 I452 G453 A454	I398-I402 HydrophobicContact CG1-CD1 3.96Å; I398-I402 HydrophobicContact CG1-CG1 4.33Å; I398-I402 WeakPolarHBondContact O-CG1 3.46Å; I398-I402 PolarHBondContact O-N 2.86Å; S399-I402 PolarHBondContact O-N 3.1Å; I402-L404 VanDerWaalsContact C-N 3.3Å; I402-L404 PolarHBondContact O-N 3.43Å; I402-L405 PolarHBondContact O-N 2.84Å; I402-R406 PolarHBondContact O-N 3.33Å; I402-V413 HydrophobicContact CB-CG1 4.39Å; I402-V413 HydrophobicContact CG1-CG1 4Å; I402-V413 HydrophobicContact CG2-CB 4.11Å; I402-V413 HydrophobicContact CG2-CG1 4.06Å; I402-I415 HydrophobicContact CD1-CD1 3.99Å; I402-I415 HydrophobicContact CD1-CG1 3.98Å; I402-I415 HydrophobicContact CG1-CD1 3.9Å; I402-I415 HydrophobicContact CG1-CG1 4.42Å; I402-I452 HydrophobicContact CD1-CB 4.11Å; I402-I452 HydrophobicContact CD1-CD1 3.7Å; I402-I452 HydrophobicContact CD1-CG1 3.64Å; I402-I452 WeakPolarHBondContact CD1-O 3.42Å; I402-G453 VanDerWaalsContact CG2-O 3.28Å; I402-G453 WeakPolarHBondContact CG2-O 3.24Å; I402-A454 HydrophobicContact CD1-CB 3.94Å
403	K	92.5	Very high	90.9	Very high	126 Å²	126	40 Å²	40	55%	0.548	21%	0.214	S	C	.	.	H	α-helix	trans	-56.2	-46.3	177.5	179.1	173.8	173.7	175	0	111.7	S399 I401 L405 R406 E407	S399-K403 PolarHBondContact O-N 2.96Å; S399-K403 VanDerWaalsContact O-N 3.12Å; I401-K403 VanDerWaalsContact C-N 3.33Å; I401-K403 PolarHBondContact O-N 3.47Å; K403-L405 PolarHBondContact O-N 3.07Å; K403-R406 PolarHBondContact O-N 2.89Å; K403-E407 WeakPolarHBondContact CE-OE1 3.4Å; K403-E407 HydrophobicContact CG-CG 4.42Å; K403-E407 IonicContact NZ-OE1 2.85Å; K403-E407 WeakPolarHBondContact O-CB 3.29Å; K403-E407 WeakPolarHBondContact O-CG 3.15Å; K403-E407 PolarHBondContact O-N 3Å
404	L	91.7	Very high	91.4	Very high	32 Å²	32	40.3 Å²	40.3	17%	0.168	22%	0.215	C	C	.	.	H	α-helix	trans	-65.7	-36.5	-179.6	161.7	158.1	0	0	0	112.6	L347 V375 P400 I401 I402 A408	L347-L404 HydrophobicContact CD2-CD2 3.93Å; V375-L404 HydrophobicContact CB-CD2 4.15Å; V375-L404 HydrophobicContact CG1-CD2 4.02Å; V375-L404 HydrophobicContact CG2-CD1 3.65Å; V375-L404 HydrophobicContact CG2-CD2 3.15Å; V375-L404 HydrophobicContact CG2-CG 3.37Å; P400-L404 VanDerWaalsContact O-CB 3.27Å; P400-L404 WeakPolarHBondContact O-CB 3.37Å; P400-L404 PolarHBondContact O-N 2.97Å; I401-L404 PolarHBondContact O-N 3.08Å; I402-L404 VanDerWaalsContact C-N 3.3Å; I402-L404 PolarHBondContact O-N 3.43Å; L404-A408 VanDerWaalsContact O-CB 3.29Å; L404-A408 WeakPolarHBondContact O-CB 3.29Å; L404-A408 PolarHBondContact O-N 2.88Å; L404-A408 VanDerWaalsContact O-N 3.08Å
405	L	95	Very high	92.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-67.3	-42.1	173.4	-67.2	177.6	0	0	0	111.7	V346 L347 V375 F380 L387 I401 I402 K403 A408 G409 A410 V413	V346-L405 HydrophobicContact CB-CD2 4.15Å; V346-L405 HydrophobicContact CG2-CD1 4.24Å; V346-L405 HydrophobicContact CG2-CD2 3.9Å; L347-L405 HydrophobicContact CD2-CD2 4.06Å; V375-L405 HydrophobicContact CG1-CD2 4.16Å; F380-L405 HydrophobicContact CE1-CD2 3.93Å; F380-L405 HydrophobicContact CE2-CB 4.34Å; F380-L405 HydrophobicContact CE2-CD2 4.05Å; F380-L405 WeakPolarHBondContact CE2-O 3.29Å; F380-L405 HydrophobicContact CZ-CD2 3.54Å; L387-L405 HydrophobicContact CD2-CD1 4.21Å; I401-L405 HydrophobicContact CG2-CD1 4.26Å; I401-L405 HydrophobicContact CG2-CG 4.48Å; I401-L405 WeakPolarHBondContact O-CG 3.49Å; I401-L405 PolarHBondContact O-N 2.79Å; I402-L405 PolarHBondContact O-N 2.84Å; K403-L405 PolarHBondContact O-N 3.07Å; L405-A408 CarbonylContact O-C 3.47Å; L405-A408 PolarHBondContact O-N 2.93Å; L405-G409 PolarHBondContact O-N 3.35Å; L405-A410 HydrophobicContact CB-CB 4.33Å; L405-A410 WeakPolarHBondContact O-CB 3.45Å; L405-A410 PolarHBondContact O-N 2.73Å; L405-V413 HydrophobicContact CB-CG2 4.14Å; L405-V413 HydrophobicContact CD1-CG1 4.32Å
406	R	95.6	Very high	93.3	Very high	85 Å²	85	38.6 Å²	38.6	32%	0.321	21%	0.206	S	C	.	.	H	α-helix	trans	-63.6	-45.5	175.6	-71.8	-170.8	-179.9	-82.9	15.8	112.2	I402 K403 A408 G409 T411 V413 G453 D455	I402-R406 PolarHBondContact O-N 3.33Å; K403-R406 PolarHBondContact O-N 2.89Å; R406-A408 PolarHBondContact O-N 3.43Å; R406-G409 PolarHBondContact O-N 2.85Å; R406-T411 PolarHBondContact NH1-O 3.41Å; R406-T411 VanDerWaalsContact NH1-O 3.17Å; R406-V413 HydrophobicContact CG-CG2 3.93Å; R406-G453 PolarHBondContact NE-O 2.95Å; R406-G453 PolarHBondContact NH2-O 2.91Å; R406-D455 IonicContact CZ-OD1 3.32Å; R406-D455 IonicContact CZ-OD2 3.79Å; R406-D455 IonicContact NH1-OD1 3.46Å; R406-D455 IonicContact NH1-OD2 3.82Å; R406-D455 PolarHBondContact NH1-OD2 2.89Å; R406-D455 IonicContact NH2-OD1 2.68Å; R406-D455 PolarHBondContact NH2-OD1 2.82Å; R406-D455 IonicContact NH2-OD2 3.85Å; R406-D455 PolarHBondContact NH2-OD2 3.25Å
407	E	94.4	Very high	94.3	Very high	144 Å²	144	35.2 Å²	35.2	67%	0.673	19%	0.189	S	C	*	.	H	α-helix	trans	-61.6	-30.1	176.7	-74.6	176	171.8	0	0	112.4	K403 G409	K403-E407 WeakPolarHBondContact CE-OE1 3.4Å; K403-E407 HydrophobicContact CG-CG 4.42Å; K403-E407 IonicContact NZ-OE1 2.85Å; K403-E407 WeakPolarHBondContact O-CB 3.29Å; K403-E407 WeakPolarHBondContact O-CG 3.15Å; K403-E407 PolarHBondContact O-N 3Å; E407-G409 VanDerWaalsContact C-N 3.32Å
408	A	94.9	Very high	95.1	Very high	22 Å²	22	33.6 Å²	33.6	18%	0.182	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-2.6	174.5	0	0	0	0	0	114	V375 T377 F380 L404 L405 R406	V375-A408 HydrophobicContact CB-CB 4.49Å; V375-A408 HydrophobicContact CG1-CB 3.65Å; T377-A408 HydrophobicContact CG2-CB 4.48Å; T377-A408 WeakPolarHBondContact CG2-O 3.25Å; F380-A408 HydrophobicContact CE2-CB 4.16Å; F380-A408 HydrophobicContact CZ-CB 3.71Å; L404-A408 VanDerWaalsContact O-CB 3.29Å; L404-A408 WeakPolarHBondContact O-CB 3.29Å; L404-A408 PolarHBondContact O-N 2.88Å; L404-A408 VanDerWaalsContact O-N 3.08Å; L405-A408 CarbonylContact O-C 3.47Å; L405-A408 PolarHBondContact O-N 2.93Å; R406-A408 PolarHBondContact O-N 3.43Å
409	G	96.3	Very high	95.5	Very high	30 Å²	30	33.5 Å²	33.5	31%	0.309	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	109.9	13.2	170	0	0	0	0	0	116.4	G382 L405 R406 E407	G382-G409 PolarHBondContact N-O 3.34Å; L405-G409 PolarHBondContact O-N 3.35Å; R406-G409 PolarHBondContact O-N 2.85Å; E407-G409 VanDerWaalsContact C-N 3.32Å
410	A	98.1	Very high	95.9	Very high	8 Å²	8	32.1 Å²	32.1	7%	0.066	17%	0.169	C	C	.	.			trans	-64.9	132.4	166.9	0	0	0	0	0	110.4	F380 K383 V385 L405 V413	F380-A410 HydrophobicContact CD2-CB 3.85Å; F380-A410 HydrophobicContact CE2-CB 3.87Å; K383-A410 WeakPolarHBondContact O-CA 3.2Å; V385-A410 HydrophobicContact CG2-CB 4.43Å; L405-A410 HydrophobicContact CB-CB 4.33Å; L405-A410 WeakPolarHBondContact O-CB 3.45Å; L405-A410 PolarHBondContact O-N 2.73Å; A410-V413 HydrophobicContact CB-CG2 3.79Å
411	T	98.2	Very high	96.3	Very high	73 Å²	73	30.9 Å²	30.9	45%	0.448	16%	0.161	S	C	.	.	S	Bend	trans	-77.8	-42.9	178	49.3	0	0	0	0	111.3	K383 R384 R406	K383-T411 PolarHBondContact O-N 2.86Å; K383-T411 PolarHBondContact O-OG1 3.33Å; R384-T411 WeakPolarHBondContact CG-OG1 3.38Å; R384-T411 PolarHBondContact N-OG1 2.98Å; R406-T411 PolarHBondContact NH1-O 3.41Å; R406-T411 VanDerWaalsContact NH1-O 3.17Å
412	E	98.5	Very high	96.5	Very high	68 Å²	68	30.9 Å²	30.9	32%	0.318	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	144.9	175.3	-63	169.1	-159.6	0	0	109.8	R384 V385 H414 D455	R384-E412 HydrophobicContact CB-CB 4.04Å; R384-E412 VanDerWaalsContact CD-OE2 3.26Å; R384-E412 WeakPolarHBondContact CD-OE2 3.19Å; R384-E412 HydrophobicContact CG-CB 3.92Å; R384-E412 HydrophobicContact CG-CG 4.05Å; V385-E412 PolarHBondContact N-O 2.83Å; E412-H414 IonicContact OE2-CE1 2.65Å; E412-H414 IonicContact OE2-NE2 3.28Å; E412-H414 PolarHBondContact OE2-NE2 2.89Å; E412-H414 VanDerWaalsContact OE2-NE2 3.15Å; E412-D455 WeakPolarHBondContact CA-OD2 3.3Å
413	V	98.4	Very high	96.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	104.4	176	-174.8	0	0	0	0	108.4	V385 I402 L405 R406 A410 I415 D455	V385-V413 WeakPolarHBondContact O-CA 3.24Å; I402-V413 HydrophobicContact CB-CG1 4.39Å; I402-V413 HydrophobicContact CG1-CG1 4Å; I402-V413 HydrophobicContact CG2-CB 4.11Å; I402-V413 HydrophobicContact CG2-CG1 4.06Å; L405-V413 HydrophobicContact CB-CG2 4.14Å; L405-V413 HydrophobicContact CD1-CG1 4.32Å; R406-V413 HydrophobicContact CG-CG2 3.93Å; A410-V413 HydrophobicContact CB-CG2 3.79Å; V413-I415 HydrophobicContact CG1-CD1 4.2Å; V413-D455 PolarHBondContact N-OD2 3.17Å; V413-D455 PolarHBondContact O-N 2.78Å
414	H	98.6	Very high	96.7	Very high	15 Å²	15	31.1 Å²	31.1	7%	0.069	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	140.2	174.3	-58.7	-88.9	0	0	0	110.1	T316 V318 V385 V386 L387 E412 S456	T316-H414 HydrophobicContact CG2-CB 4.5Å; V318-H414 WeakPolarHBondContact CG1-CD2 3.19Å; V385-H414 PolarHBondContact O-N 3.29Å; V386-H414 CarbonylContact C-O 3.55Å; V386-H414 WeakPolarHBondContact CA-O 3.48Å; V386-H414 HydrophobicContact CB-CB 4.27Å; V386-H414 HydrophobicContact CG2-CB 4.1Å; L387-H414 PolarHBondContact N-O 2.81Å; E412-H414 IonicContact OE2-CE1 2.65Å; E412-H414 IonicContact OE2-NE2 3.28Å; E412-H414 PolarHBondContact OE2-NE2 2.89Å; E412-H414 VanDerWaalsContact OE2-NE2 3.15Å; H414-S456 PolarHBondContact ND1-OG 3.32Å
415	I	98.4	Very high	96.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	138.5	175.6	-52.7	-55.8	0	0	0	109.5	L387 I392 I398 I402 V413 V417 I452 A454 S456 V457 E458	L387-I415 HydrophobicContact CB-CD1 3.85Å; L387-I415 HydrophobicContact CD2-CD1 4.16Å; L387-I415 WeakPolarHBondContact O-CA 3.35Å; I392-I415 HydrophobicContact CD1-CG2 4.24Å; I398-I415 HydrophobicContact CD1-CD1 4.07Å; I398-I415 HydrophobicContact CG1-CD1 4.05Å; I398-I415 HydrophobicContact CG1-CG1 4.35Å; I402-I415 HydrophobicContact CD1-CD1 3.99Å; I402-I415 HydrophobicContact CD1-CG1 3.98Å; I402-I415 HydrophobicContact CG1-CD1 3.9Å; I402-I415 HydrophobicContact CG1-CG1 4.42Å; V413-I415 HydrophobicContact CG1-CD1 4.2Å; I415-V417 HydrophobicContact CG2-CG2 4.07Å; I415-I452 HydrophobicContact CG1-CD1 4.12Å; I415-A454 HydrophobicContact CG1-CB 3.88Å; I415-S456 PolarHBondContact N-O 3.34Å; I415-V457 HydrophobicContact CB-CB 4.45Å; I415-V457 HydrophobicContact CB-CG1 4.26Å; I415-V457 HydrophobicContact CB-CG2 4.06Å; I415-V457 HydrophobicContact CG1-CG2 4.3Å; I415-V457 HydrophobicContact CG2-CG1 4.37Å; I415-V457 WeakPolarHBondContact O-CA 3.22Å; I415-E458 PolarHBondContact O-N 2.88Å; I415-E458 VanDerWaalsContact O-N 3.13Å
416	R	98.4	Very high	96.6	Very high	8 Å²	8	30.9 Å²	30.9	3%	0.03	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	130.6	167.3	-60.7	-67.5	-178.8	-96.9	12.4	108.8	L310 A314 P315 Y335 V386 L387 I388 D389 S456 E458	L310-R416 HydrophobicContact CD1-CB 4.39Å; L310-R416 HydrophobicContact CD2-CB 3.64Å; L310-R416 HydrophobicContact CG-CB 4.09Å; A314-R416 PolarHBondContact O-NE 3.08Å; P315-R416 PolarHBondContact O-NH2 3.03Å; Y335-R416 HydrophobicContact CE2-CB 4.37Å; Y335-R416 HydrophobicContact CE2-CG 3.95Å; V386-R416 HydrophobicContact CG2-CB 4.3Å; V386-R416 HydrophobicContact CG2-CG 3.49Å; V386-R416 VanDerWaalsContact CG2-CG 3.49Å; L387-R416 PolarHBondContact O-N 3.2Å; I388-R416 VanDerWaalsContact CA-O 3.32Å; I388-R416 WeakPolarHBondContact CA-O 3.12Å; I388-R416 HydrophobicContact CD1-CB 3.57Å; I388-R416 HydrophobicContact CD1-CG 4.1Å; D389-R416 PolarHBondContact N-O 3.39Å; R416-S456 PolarHBondContact NH1-OG 3.17Å; R416-E458 WeakPolarHBondContact CA-O 2.92Å
417	V	98.2	Very high	96.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	121.3	-175.8	-171.1	0	0	0	0	109.2	D389 I392 I415 S419 E458 Y459 L460	D389-V417 WeakPolarHBondContact O-CA 3.46Å; I392-V417 HydrophobicContact CD1-CG2 3.55Å; I392-V417 HydrophobicContact CG1-CG1 4.47Å; I392-V417 HydrophobicContact CG1-CG2 3.83Å; I415-V417 HydrophobicContact CG2-CG2 4.07Å; V417-S419 PolarHBondContact O-N 3.18Å; V417-E458 PolarHBondContact N-O 3.03Å; V417-Y459 HydrophobicContact CB-CD1 3.53Å; V417-Y459 HydrophobicContact CB-CE1 3.8Å; V417-Y459 HydrophobicContact CB-CG 4.12Å; V417-Y459 HydrophobicContact CG1-CD1 3.78Å; V417-Y459 HydrophobicContact CG1-CE1 3.85Å; V417-Y459 HydrophobicContact CG2-CD1 3.87Å; V417-Y459 HydrophobicContact CG2-CE1 3.68Å; V417-Y459 HydrophobicContact CG2-CG 4.36Å; V417-L460 PolarHBondContact O-N 3.1Å
418	A	97.7	Very high	96.2	Very high	8 Å²	8	25 Å²	25	7%	0.066	13%	0.133	C	C	.	.	S	Bend	trans	-76.7	19.2	-177.4	0	0	0	0	0	114	L310 A331 I388 D389	L310-A418 HydrophobicContact CD2-CB 4.32Å; A331-A418 HydrophobicContact CB-CB 3.62Å; I388-A418 HydrophobicContact CG2-CB 4.43Å; D389-A418 PolarHBondContact O-N 2.72Å
419	S	97.3	Very high	95.6	Very high	1 Å²	1	24 Å²	24	1%	0.007	13%	0.125	C	C	.	.	S	Bend	trans	-140.7	160.7	170.1	82.7	0	0	0	0	110	D390 V417 Y459	D390-S419 VanDerWaalsContact O-CB 3.24Å; D390-S419 WeakPolarHBondContact O-CB 3.32Å; D390-S419 PolarHBondContact O-N 3.02Å; D390-S419 PolarHBondContact O-OG 2.85Å; D390-S419 VanDerWaalsContact O-OG 3.12Å; V417-S419 PolarHBondContact O-N 3.18Å; S419-Y459 WeakPolarHBondContact O-CD1 3.33Å
420	P	98.1	Very high	95.2	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.013	11%	0.111	C	C	.	.			trans	-66.3	163.3	166.2	-19.5	33.2	0	0	0	112.1	I422 L460 V462 L465 L494	P420-I422 PolarHBondContact O-N 2.8Å; P420-L460 WeakPolarHBondContact CA-O 3.39Å; P420-L460 WeakPolarHBondContact CB-O 3.34Å; P420-L460 VanDerWaalsContact CG-O 3.32Å; P420-L460 WeakPolarHBondContact CG-O 3.36Å; P420-V462 HydrophobicContact CB-CG2 3.75Å; P420-V462 HydrophobicContact CG-CB 4.27Å; P420-V462 HydrophobicContact CG-CG2 3.75Å; P420-L465 HydrophobicContact CG-CB 4.26Å; P420-L465 HydrophobicContact CG-CD2 4.22Å; P420-L494 HydrophobicContact CB-CD1 4.27Å; P420-L494 HydrophobicContact CB-CD2 4.15Å; P420-L494 HydrophobicContact CG-CD1 3.88Å
421	P	96.4	Very high	94.5	Very high	24 Å²	24	24.8 Å²	24.8	16%	0.156	12%	0.121	C	C	.	.			trans	-60.8	130.9	174	-20.4	31.8	0	0	0	111.4	R423 A440 F445 Y459	P421-R423 PolarHBondContact O-N 3.09Å; P421-A440 HydrophobicContact CB-CB 3.83Å; P421-F445 HydrophobicContact CB-CE2 3.96Å; P421-F445 HydrophobicContact CB-CZ 3.71Å; P421-F445 HydrophobicContact CG-CE1 4.46Å; P421-F445 HydrophobicContact CG-CE2 4.11Å; P421-F445 HydrophobicContact CG-CZ 3.5Å; P421-F445 VanDerWaalsContact CG-CZ 3.5Å; P421-Y459 HydrophobicContact CB-CD1 4.35Å; P421-Y459 HydrophobicContact CB-CE1 4.35Å; P421-Y459 HydrophobicContact CG-CD1 3.77Å; P421-Y459 HydrophobicContact CG-CD2 4.08Å; P421-Y459 HydrophobicContact CG-CE1 4.16Å; P421-Y459 HydrophobicContact CG-CE2 4.44Å; P421-Y459 HydrophobicContact CG-CG 3.73Å
422	I	95.8	Very high	94	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	10%	0.102	C	C	.	.			trans	-79.3	114.5	177	-56.1	164.8	0	0	0	108.5	I8 F282 V393 P420 I432 L438 A440 C493 L494	I8-I422 HydrophobicContact CD1-CD1 3.62Å; I8-I422 HydrophobicContact CG1-CD1 4.4Å; F282-I422 HydrophobicContact CE1-CD1 4.04Å; F282-I422 HydrophobicContact CE2-CG1 4.35Å; F282-I422 HydrophobicContact CZ-CD1 3.6Å; F282-I422 HydrophobicContact CZ-CG1 3.68Å; V393-I422 HydrophobicContact CG2-CD1 3.97Å; P420-I422 PolarHBondContact O-N 2.8Å; I422-I432 HydrophobicContact CG2-CD1 4.15Å; I422-I432 HydrophobicContact CG2-CG2 3.82Å; I422-L438 HydrophobicContact CB-CD2 4.49Å; I422-L438 HydrophobicContact CG2-CD1 4.17Å; I422-L438 HydrophobicContact CG2-CD2 4.02Å; I422-A440 VanDerWaalsContact O-CB 3.22Å; I422-A440 WeakPolarHBondContact O-CB 3.23Å; I422-C493 HydrophobicContact CG2-CB 4.36Å; I422-L494 HydrophobicContact CG1-CD2 4.23Å
423	R	95.6	Very high	93.5	Very high	81 Å²	81	19 Å²	19	31%	0.306	9%	0.089	S	C	.	.			trans	-113.8	-14.4	-173.7	-69.7	-175.6	177.2	-70.9	-6.1	113.9	P421 A440 N441 C493	P421-R423 PolarHBondContact O-N 3.09Å; R423-A440 HydrophobicContact CG-CB 3.93Å; R423-A440 PolarHBondContact NH1-O 2.99Å; R423-N441 PolarHBondContact O-ND2 3.3Å; R423-C493 PolarHBondContact N-O 2.58Å
424	F	95.6	Very high	93	Very high	50 Å²	50	22.1 Å²	22.1	22%	0.219	11%	0.109	C	C	.	.	S	Bend	trans	-134.5	144.8	-173.9	-55.5	-91.9	0	0	0	110.9	A492 C493 G496	F424-A492 WeakPolarHBondContact CB-O 3.4Å; F424-C493 PolarHBondContact N-O 2.63Å; F424-C493 WeakPolarHBondContact O-CA 3.45Å; F424-G496 VanDerWaalsContact CD2-CA 3.49Å
425	P	92.8	Very high	92.6	Very high	13 Å²	13	26 Å²	26	8%	0.084	13%	0.126	C	C	.	.			trans	-63.5	160.7	172.5	28.1	-35	0	0	0	111.1	Y427 Y498	P425-Y427 HydrophobicContact CB-CE1 4.42Å; P425-Y427 HydrophobicContact CB-CE2 4.46Å; P425-Y427 HydrophobicContact CG-CE1 4.29Å; P425-Y427 HydrophobicContact CG-CE2 3.8Å; P425-Y427 VanDerWaalsContact CG-OH 3.24Å; P425-Y427 WeakPolarHBondContact CG-OH 3.35Å; P425-Y498 PolarHBondContact O-OH 3.05Å
426	C	91.8	Very high	92.1	Very high	15 Å²	15	32.4 Å²	32.4	10%	0.101	16%	0.156	C	C	.	.			trans	-104.7	138.1	169.9	-177.3	0	0	0	0	108.6	M428 I430 I432	C426-M428 PolarHBondContact SG-N 2.71Å; C426-M428 VanDerWaalsContact SG-N 3.44Å; C426-I430 HydrophobicContact CB-CB 3.79Å; C426-I430 WeakPolarHBondContact CB-O 3.32Å; C426-I432 HydrophobicContact CB-CB 4.31Å; C426-I432 HydrophobicContact CB-CD1 3.69Å; C426-I432 HydrophobicContact CB-CG1 3.79Å
427	Y	90	Very high	91.6	Very high	104 Å²	104	35.2 Å²	35.2	41%	0.408	17%	0.169	S	C	.	.	S	Bend	trans	-118.9	11.1	177.2	-56.7	-69.8	0	0	0	111.8	V126 P425 Y498 L502	V126-Y427 WeakPolarHBondContact CG1-O 3.17Å; P425-Y427 HydrophobicContact CB-CE1 4.42Å; P425-Y427 HydrophobicContact CB-CE2 4.46Å; P425-Y427 HydrophobicContact CG-CE1 4.29Å; P425-Y427 HydrophobicContact CG-CE2 3.8Å; P425-Y427 VanDerWaalsContact CG-OH 3.24Å; P425-Y427 WeakPolarHBondContact CG-OH 3.35Å; Y427-Y498 HydrophobicContact CD2-CD1 4.45Å; Y427-Y498 AromaticContact CD2-CE1 3.65Å; Y427-Y498 HydrophobicContact CD2-CE1 3.65Å; Y427-Y498 AromaticContact CD2-CZ 3.84Å; Y427-Y498 HydrophobicContact CE2-CE1 4.22Å; Y427-Y498 AromaticContact CE2-CZ 3.91Å; Y427-L502 HydrophobicContact CD2-CD1 3.45Å; Y427-L502 VanDerWaalsContact CD2-CD1 3.45Å; Y427-L502 HydrophobicContact CD2-CD2 4.3Å; Y427-L502 HydrophobicContact CE2-CD1 3.66Å; Y427-L502 HydrophobicContact CG-CD1 4.46Å
428	M	90.6	Very high	91.2	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.01	17%	0.169	C	C	.	.	S	Bend	trans	-109.6	12.5	-175.1	-71.6	168.5	-68.5	0	0	110.7	V126 T182 S183 R204 C426 C490 A492 Y498 P499	V126-M428 HydrophobicContact CG1-CG 4.15Å; T182-M428 HydrophobicContact CG2-CG 4.41Å; T182-M428 HydrophobicContact CG2-SD 4.41Å; S183-M428 WeakPolarHBondContact CB-O 3.18Å; S183-M428 PolarHBondContact OG-O 3.47Å; R204-M428 VanDerWaalsContact CZ-O 3.29Å; R204-M428 PolarHBondContact NE-O 3.13Å; R204-M428 PolarHBondContact NH2-O 3.37Å; C426-M428 PolarHBondContact SG-N 2.71Å; C426-M428 VanDerWaalsContact SG-N 3.44Å; M428-C490 WeakPolarHBondContact CE-SG 3.25Å; M428-A492 HydrophobicContact CE-CB 3.91Å; M428-Y498 HydrophobicContact CE-CD1 3.77Å; M428-Y498 HydrophobicContact CE-CE1 4.21Å; M428-P499 HydrophobicContact SD-CG 3.73Å
429	G	83.1	Confident	90.9	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	124.9	-22.2	174.5	0	0	0	0	0	114.7	E11 T96 E124 R204 N431	E11-G429 WeakPolarHBondContact CG-O 3.45Å; E11-G429 WeakPolarHBondContact OE2-CA 3.48Å; T96-G429 WeakPolarHBondContact CG2-O 3.3Å; E124-G429 PolarHBondContact OE2-N 3.46Å; R204-G429 VanDerWaalsContact NH2-CA 3.32Å; G429-N431 PolarHBondContact O-N 3.37Å
430	I	86.9	Confident	90.7	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.015	17%	0.167	C	C	.	.			trans	-80	128.4	-179.3	-63.9	175.6	0	0	0	108.9	I8 E11 R204 C280 F282 F287 C426 I432	I8-I430 HydrophobicContact CG2-CG2 3.18Å; E11-I430 WeakPolarHBondContact OE1-CA 3.37Å; E11-I430 WeakPolarHBondContact OE1-CG1 3.49Å; E11-I430 PolarHBondContact OE1-N 3.01Å; R204-I430 VanDerWaalsContact NH2-N 3.18Å; C280-I430 WeakPolarHBondContact SG-CD1 3.23Å; F282-I430 HydrophobicContact CB-CD1 3.47Å; F282-I430 VanDerWaalsContact CB-CD1 3.47Å; F282-I430 HydrophobicContact CG-CD1 4.18Å; F287-I430 HydrophobicContact CD2-CD1 4.06Å; F287-I430 HydrophobicContact CE1-CG1 4.45Å; F287-I430 HydrophobicContact CE1-CG2 4.24Å; F287-I430 HydrophobicContact CE2-CD1 3.69Å; F287-I430 HydrophobicContact CE2-CG1 4.04Å; F287-I430 HydrophobicContact CE2-CG2 3.7Å; F287-I430 HydrophobicContact CZ-CB 4.28Å; F287-I430 HydrophobicContact CZ-CD1 4.2Å; F287-I430 HydrophobicContact CZ-CG1 4.02Å; F287-I430 HydrophobicContact CZ-CG2 3.33Å; C426-I430 HydrophobicContact CB-CB 3.79Å; C426-I430 WeakPolarHBondContact CB-O 3.32Å; I430-I432 VanDerWaalsContact C-N 3.25Å; I430-I432 HydrophobicContact CB-CG1 4.17Å; I430-I432 HydrophobicContact CG2-CD1 4.25Å; I430-I432 HydrophobicContact CG2-CG1 3.54Å; I430-I432 PolarHBondContact O-N 3.14Å
431	N	85.2	Confident	90.5	Very high	51 Å²	51	37.6 Å²	37.6	27%	0.273	18%	0.181	S	C	.	.	B	Isolated β-bridge	trans	-74.8	79.9	171	-173	2.3	0	0	0	110.9	I8 G9 Y94 T96 G429	I8-N431 WeakPolarHBondContact CG2-O 3.25Å; G9-N431 PolarHBondContact N-O 3.28Å; G9-N431 VanDerWaalsContact N-O 3.07Å; Y94-N431 HydrophobicContact CE1-CB 4.41Å; T96-N431 HydrophobicContact CG2-CB 4.37Å; G429-N431 PolarHBondContact O-N 3.37Å
432	I	87.7	Confident	90.3	Very high	10 Å²	10	40.2 Å²	40.2	5%	0.051	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-92.9	131	167.6	-55.3	-171.9	0	0	0	108.1	I8 I422 C426 I430 L438 C493	I8-I432 HydrophobicContact CG2-CG1 3.95Å; I422-I432 HydrophobicContact CG2-CD1 4.15Å; I422-I432 HydrophobicContact CG2-CG2 3.82Å; C426-I432 HydrophobicContact CB-CB 4.31Å; C426-I432 HydrophobicContact CB-CD1 3.69Å; C426-I432 HydrophobicContact CB-CG1 3.79Å; I430-I432 VanDerWaalsContact C-N 3.25Å; I430-I432 HydrophobicContact CB-CG1 4.17Å; I430-I432 HydrophobicContact CG2-CD1 4.25Å; I430-I432 HydrophobicContact CG2-CG1 3.54Å; I430-I432 PolarHBondContact O-N 3.14Å; I432-L438 HydrophobicContact CG2-CD1 4.27Å; I432-L438 HydrophobicContact CG2-CD2 3.87Å; I432-C493 HydrophobicContact CD1-CB 3.33Å
433	P	86.1	Confident	90	Very high	9 Å²	9	45.1 Å²	45.1	6%	0.058	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-54.3	168.8	176.4	-28.1	36.7	0	0	0	114.7	V393 E437 L438	V393-P433 HydrophobicContact CG1-CG 3.82Å; P433-E437 HydrophobicContact CB-CB 3.72Å; P433-E437 HydrophobicContact CB-CG 4.5Å; P433-E437 WeakPolarHBondContact CB-OE2 3.31Å; P433-L438 HydrophobicContact CB-CD2 4.44Å
434	T	87.9	Confident	89.7	Confident	66 Å²	66	44.7 Å²	44.7	41%	0.405	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-64.1	161.4	178.4	83.4	0	0	0	0	111.7	E436 E437 L438	T434-E436 VanDerWaalsContact CB-OE2 3.31Å; T434-E436 WeakPolarHBondContact CB-OE2 3.06Å; T434-E436 PolarHBondContact O-N 2.94Å; T434-E436 VanDerWaalsContact O-N 3.13Å; T434-E436 PolarHBondContact OG1-OE2 3.21Å; T434-E437 PolarHBondContact N-OE2 3.22Å; T434-E437 PolarHBondContact O-N 3.25Å; T434-L438 WeakPolarHBondContact O-CG 3.48Å; T434-L438 PolarHBondContact O-N 3.34Å
435	K	90.6	Very high	89.5	Confident	98 Å²	98	44.3 Å²	44.3	43%	0.426	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-35.9	-178.4	-167	178.4	-178.1	179	0	112.4	N441	K435-N441 WeakPolarHBondContact CG-ND2 3.32Å; K435-N441 WeakPolarHBondContact O-CB 3.34Å; K435-N441 PolarHBondContact O-ND2 3.33Å
436	E	89.5	Confident	89.4	Confident	134 Å²	134	53 Å²	53	63%	0.626	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-27.6	-179.5	-57.2	68.7	-144.6	0	0	112.3	T434 K442	T434-E436 VanDerWaalsContact CB-OE2 3.31Å; T434-E436 WeakPolarHBondContact CB-OE2 3.06Å; T434-E436 PolarHBondContact O-N 2.94Å; T434-E436 VanDerWaalsContact O-N 3.13Å; T434-E436 PolarHBondContact OG1-OE2 3.21Å; E436-K442 WeakPolarHBondContact O-CE 3.46Å
437	E	86.7	Confident	89.5	Confident	67 Å²	67	57.2 Å²	57.2	31%	0.313	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-27.8	178.2	-68.4	-177.5	97.7	0	0	112.6	R394 P433 T434 I439 K442	R394-E437 IonicContact CZ-OE1 3.71Å; R394-E437 VanDerWaalsContact CZ-OE1 3.29Å; R394-E437 IonicContact NH1-OE1 2.89Å; R394-E437 PolarHBondContact NH1-OE1 3.12Å; R394-E437 IonicContact NH2-OE1 2.68Å; R394-E437 PolarHBondContact NH2-OE1 3.04Å; R394-E437 IonicContact NH2-OE2 3.8Å; P433-E437 HydrophobicContact CB-CB 3.72Å; P433-E437 HydrophobicContact CB-CG 4.5Å; P433-E437 WeakPolarHBondContact CB-OE2 3.31Å; T434-E437 PolarHBondContact N-OE2 3.22Å; T434-E437 PolarHBondContact O-N 3.25Å; E437-I439 PolarHBondContact O-N 2.82Å; E437-K442 WeakPolarHBondContact O-CE 3.35Å; E437-K442 PolarHBondContact O-NZ 2.84Å
438	L	90.6	Very high	89.7	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.262	C	S	.	.			trans	-67.5	122.8	-178.9	-66.7	173.1	0	0	0	111.9	V393 I422 I432 P433 T434 A440 N441	V393-L438 HydrophobicContact CG1-CD2 3.64Å; I422-L438 HydrophobicContact CB-CD2 4.49Å; I422-L438 HydrophobicContact CG2-CD1 4.17Å; I422-L438 HydrophobicContact CG2-CD2 4.02Å; I432-L438 HydrophobicContact CG2-CD1 4.27Å; I432-L438 HydrophobicContact CG2-CD2 3.87Å; P433-L438 HydrophobicContact CB-CD2 4.44Å; T434-L438 WeakPolarHBondContact O-CG 3.48Å; T434-L438 PolarHBondContact O-N 3.34Å; L438-A440 PolarHBondContact O-N 3.33Å; L438-A440 VanDerWaalsContact O-N 3.11Å; L438-N441 PolarHBondContact O-N 3.25Å
439	I	90.6	Very high	89.9	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.015	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-55.8	-34.9	-179	-166.7	169.8	0	0	0	112	I392 V393 E437 N441 K442 F445 I448 Y451	I392-I439 HydrophobicContact CG2-CG2 4.06Å; V393-I439 VanDerWaalsContact O-CG2 3.29Å; V393-I439 WeakPolarHBondContact O-CG2 3.35Å; V393-I439 PolarHBondContact O-N 3.3Å; E437-I439 PolarHBondContact O-N 2.82Å; I439-N441 PolarHBondContact O-N 3.17Å; I439-K442 PolarHBondContact O-N 2.95Å; I439-F445 WeakPolarHBondContact O-CB 3.28Å; I439-I448 HydrophobicContact CD1-CD1 4.03Å; I439-I448 HydrophobicContact CD1-CG1 4.14Å; I439-Y451 HydrophobicContact CD1-CD1 3.68Å; I439-Y451 HydrophobicContact CD1-CE1 3.57Å
440	A	92.9	Very high	90.5	Very high	3 Å²	3	55.8 Å²	55.8	3%	0.025	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-60.9	-20.3	-178	0	0	0	0	0	114.4	P421 I422 R423 L438 F445	P421-A440 HydrophobicContact CB-CB 3.83Å; I422-A440 VanDerWaalsContact O-CB 3.22Å; I422-A440 WeakPolarHBondContact O-CB 3.23Å; R423-A440 HydrophobicContact CG-CB 3.93Å; R423-A440 PolarHBondContact NH1-O 2.99Å; L438-A440 PolarHBondContact O-N 3.33Å; L438-A440 VanDerWaalsContact O-N 3.11Å; A440-F445 VanDerWaalsContact CA-CD2 3.43Å; A440-F445 HydrophobicContact CB-CD2 4.08Å; A440-F445 HydrophobicContact CB-CE2 4.1Å; A440-F445 HydrophobicContact CB-CG 4.47Å; A440-F445 WeakPolarHBondContact O-CG 3.41Å
441	N	94.3	Very high	90.8	Very high	54 Å²	54	60.8 Å²	60.8	29%	0.289	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-102.3	-2.5	-179.7	-62.3	-38.4	0	0	0	113.4	R423 K435 L438 I439	R423-N441 PolarHBondContact O-ND2 3.3Å; K435-N441 WeakPolarHBondContact CG-ND2 3.32Å; K435-N441 WeakPolarHBondContact O-CB 3.34Å; K435-N441 PolarHBondContact O-ND2 3.33Å; L438-N441 PolarHBondContact O-N 3.25Å; I439-N441 PolarHBondContact O-N 3.17Å
442	K	92.1	Very high	91	Very high	80 Å²	80	58.7 Å²	58.7	35%	0.348	30%	0.301	S	S	.	.	S	Bend	trans	-92.4	158.1	-179.4	-54.2	-175.3	173.8	176.6	0	111.3	E436 E437 I439 E444 F445	E436-K442 WeakPolarHBondContact O-CE 3.46Å; E437-K442 WeakPolarHBondContact O-CE 3.35Å; E437-K442 PolarHBondContact O-NZ 2.84Å; I439-K442 PolarHBondContact O-N 2.95Å; K442-E444 WeakPolarHBondContact CB-OE2 3.49Å; K442-E444 PolarHBondContact O-N 2.87Å; K442-E444 VanDerWaalsContact O-N 3.16Å; K442-F445 WeakPolarHBondContact O-CB 3.49Å; K442-F445 PolarHBondContact O-N 3.03Å
443	P	89.2	Confident	91.4	Very high	104 Å²	104	60 Å²	60	68%	0.675	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-53.3	-34.2	177.6	-26.9	35.7	0	0	0	113.7	F445 K446	P443-F445 PolarHBondContact O-N 3.07Å; P443-K446 WeakPolarHBondContact O-CB 3.45Å; P443-K446 PolarHBondContact O-N 2.9Å; P443-K446 VanDerWaalsContact O-N 3.12Å
444	E	88.9	Confident	91.9	Very high	73 Å²	73	60 Å²	60	34%	0.341	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-59.1	-25.5	178.5	-61.9	86.3	166.9	0	0	112.5	K442 K446 D447 I448 Y451	K442-E444 WeakPolarHBondContact CB-OE2 3.49Å; K442-E444 PolarHBondContact O-N 2.87Å; K442-E444 VanDerWaalsContact O-N 3.16Å; E444-K446 PolarHBondContact O-N 2.83Å; E444-D447 CarbonylContact O-C 3.03Å; E444-D447 PolarHBondContact O-N 3.19Å; E444-D447 VanDerWaalsContact O-N 3.12Å; E444-I448 WeakPolarHBondContact O-CA 3.26Å; E444-I448 PolarHBondContact O-N 3.08Å; E444-Y451 HydrophobicContact CB-CD1 4.26Å; E444-Y451 HydrophobicContact CB-CD2 3.82Å; E444-Y451 HydrophobicContact CB-CE2 4.28Å; E444-Y451 HydrophobicContact CB-CG 3.8Å; E444-Y451 HydrophobicContact CG-CD2 3.49Å; E444-Y451 VanDerWaalsContact CG-CD2 3.49Å; E444-Y451 HydrophobicContact CG-CE2 3.69Å; E444-Y451 HydrophobicContact CG-CG 4.03Å
445	F	91.6	Very high	92.4	Very high	41 Å²	41	60.2 Å²	60.2	18%	0.18	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-62	-27.9	177	-169	-105.9	0	0	0	113.3	P421 I439 A440 K442 P443 D447 I448 Y459	P421-F445 HydrophobicContact CB-CE2 3.96Å; P421-F445 HydrophobicContact CB-CZ 3.71Å; P421-F445 HydrophobicContact CG-CE1 4.46Å; P421-F445 HydrophobicContact CG-CE2 4.11Å; P421-F445 HydrophobicContact CG-CZ 3.5Å; P421-F445 VanDerWaalsContact CG-CZ 3.5Å; I439-F445 WeakPolarHBondContact O-CB 3.28Å; A440-F445 VanDerWaalsContact CA-CD2 3.43Å; A440-F445 HydrophobicContact CB-CD2 4.08Å; A440-F445 HydrophobicContact CB-CE2 4.1Å; A440-F445 HydrophobicContact CB-CG 4.47Å; A440-F445 WeakPolarHBondContact O-CG 3.41Å; K442-F445 WeakPolarHBondContact O-CB 3.49Å; K442-F445 PolarHBondContact O-N 3.03Å; P443-F445 PolarHBondContact O-N 3.07Å; F445-D447 PolarHBondContact O-N 2.94Å; F445-I448 HydrophobicContact CD2-CD1 4.1Å; F445-I448 HydrophobicContact CE2-CD1 4.29Å; F445-Y459 AromaticContact CE2-CE2 3.84Å; F445-Y459 HydrophobicContact CE2-CE2 3.84Å; F445-Y459 AromaticContact CE2-CZ 3.98Å; F445-Y459 HydrophobicContact CZ-CE2 4.17Å
446	K	91.4	Very high	92.8	Very high	196 Å²	196	56.8 Å²	56.8	85%	0.852	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-62.8	-30	177.9	-66.8	-175.5	178.9	-178.8	0	112.3	P443 E444	P443-K446 WeakPolarHBondContact O-CB 3.45Å; P443-K446 PolarHBondContact O-N 2.9Å; P443-K446 VanDerWaalsContact O-N 3.12Å; E444-K446 PolarHBondContact O-N 2.83Å
447	D	93.6	Very high	93.2	Very high	103 Å²	103	51.1 Å²	51.1	55%	0.551	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-134.7	63	173.2	-179.5	18.2	0	0	0	109.2	E444 F445 A449 G450 Y451	E444-D447 CarbonylContact O-C 3.03Å; E444-D447 PolarHBondContact O-N 3.19Å; E444-D447 VanDerWaalsContact O-N 3.12Å; F445-D447 PolarHBondContact O-N 2.94Å; D447-A449 PolarHBondContact O-N 2.83Å; D447-G450 PolarHBondContact O-N 2.92Å; D447-G450 PolarHBondContact OD1-N 2.97Å; D447-Y451 WeakPolarHBondContact O-CB 3.42Å; D447-Y451 PolarHBondContact O-N 2.82Å
448	I	94	Very high	93.7	Very high	11 Å²	11	52.6 Å²	52.6	6%	0.056	29%	0.286	C	S	.	.	H	α-helix	trans	-65.6	-33.1	-177.7	-168.7	175.1	0	0	0	111.3	I439 E444 F445 Y451 I452 V457 Y459	I439-I448 HydrophobicContact CD1-CD1 4.03Å; I439-I448 HydrophobicContact CD1-CG1 4.14Å; E444-I448 WeakPolarHBondContact O-CA 3.26Å; E444-I448 PolarHBondContact O-N 3.08Å; F445-I448 HydrophobicContact CD2-CD1 4.1Å; F445-I448 HydrophobicContact CE2-CD1 4.29Å; I448-Y451 PolarHBondContact O-N 2.78Å; I448-I452 HydrophobicContact CG1-CG2 4.23Å; I448-I452 VanDerWaalsContact O-CG1 3.32Å; I448-I452 WeakPolarHBondContact O-CG1 3.45Å; I448-I452 PolarHBondContact O-N 2.9Å; I448-V457 HydrophobicContact CG2-CB 3.7Å; I448-V457 HydrophobicContact CG2-CG1 3.81Å; I448-V457 HydrophobicContact CG2-CG2 4.07Å; I448-Y459 HydrophobicContact CD1-CE2 4.32Å; I448-Y459 WeakPolarHBondContact CD1-OH 3.44Å
449	A	95.9	Very high	94.1	Very high	16 Å²	16	53.9 Å²	53.9	13%	0.132	29%	0.29	C	S	.	.	H	α-helix	trans	-60	-50.9	177.1	0	0	0	0	0	111.1	D447 Y451 I452 G453 A454 V457	D447-A449 PolarHBondContact O-N 2.83Å; A449-Y451 VanDerWaalsContact C-N 3.35Å; A449-Y451 PolarHBondContact O-N 3.27Å; A449-I452 PolarHBondContact O-N 3.16Å; A449-G453 PolarHBondContact O-N 3.35Å; A449-A454 CarbonylContact C-O 3.6Å; A449-A454 PolarHBondContact O-N 2.87Å; A449-V457 HydrophobicContact CB-CB 4.44Å; A449-V457 HydrophobicContact CB-CG2 3.84Å
450	G	94.9	Very high	94.5	Very high	49 Å²	49	53.8 Å²	53.8	51%	0.505	29%	0.29	S	S	.	.	H	α-helix	trans	-60.8	-41.9	174	0	0	0	0	0	112.6	D447 I452 G453	D447-G450 PolarHBondContact O-N 2.92Å; D447-G450 PolarHBondContact OD1-N 2.97Å; G450-I452 PolarHBondContact O-N 2.78Å; G450-G453 PolarHBondContact O-N 2.8Å
451	Y	92.3	Very high	94.8	Very high	109 Å²	109	56.5 Å²	56.5	43%	0.427	31%	0.306	S	S	.	.	H	α-helix	trans	-61.6	-42.2	179.4	177.1	-106	0	0	0	113.5	I439 E444 D447 I448 A449	I439-Y451 HydrophobicContact CD1-CD1 3.68Å; I439-Y451 HydrophobicContact CD1-CE1 3.57Å; E444-Y451 HydrophobicContact CB-CD1 4.26Å; E444-Y451 HydrophobicContact CB-CD2 3.82Å; E444-Y451 HydrophobicContact CB-CE2 4.28Å; E444-Y451 HydrophobicContact CB-CG 3.8Å; E444-Y451 HydrophobicContact CG-CD2 3.49Å; E444-Y451 VanDerWaalsContact CG-CD2 3.49Å; E444-Y451 HydrophobicContact CG-CE2 3.69Å; E444-Y451 HydrophobicContact CG-CG 4.03Å; D447-Y451 WeakPolarHBondContact O-CB 3.42Å; D447-Y451 PolarHBondContact O-N 2.82Å; I448-Y451 PolarHBondContact O-N 2.78Å; A449-Y451 VanDerWaalsContact C-N 3.35Å; A449-Y451 PolarHBondContact O-N 3.27Å
452	I	91.1	Very high	95	Very high	7 Å²	7	55.5 Å²	55.5	4%	0.036	30%	0.302	C	S	.	.	H	α-helix	trans	-93	-6.4	-179	73.3	-179	0	0	0	113.8	I398 S399 I402 I415 I448 A449 G450 A454 V457	I398-I452 HydrophobicContact CG2-CB 4.37Å; I398-I452 HydrophobicContact CG2-CD1 3.95Å; I398-I452 HydrophobicContact CG2-CG2 4.22Å; S399-I452 WeakPolarHBondContact OG-CB 3.11Å; S399-I452 WeakPolarHBondContact OG-CG2 3.36Å; I402-I452 HydrophobicContact CD1-CB 4.11Å; I402-I452 HydrophobicContact CD1-CD1 3.7Å; I402-I452 HydrophobicContact CD1-CG1 3.64Å; I402-I452 WeakPolarHBondContact CD1-O 3.42Å; I415-I452 HydrophobicContact CG1-CD1 4.12Å; I448-I452 HydrophobicContact CG1-CG2 4.23Å; I448-I452 VanDerWaalsContact O-CG1 3.32Å; I448-I452 WeakPolarHBondContact O-CG1 3.45Å; I448-I452 PolarHBondContact O-N 2.9Å; A449-I452 PolarHBondContact O-N 3.16Å; G450-I452 PolarHBondContact O-N 2.78Å; I452-A454 HydrophobicContact CD1-CB 4.14Å; I452-A454 HydrophobicContact CG1-CB 3.91Å; I452-V457 HydrophobicContact CD1-CG2 3.58Å; I452-V457 HydrophobicContact CG1-CG2 4.23Å
453	G	94.4	Very high	95.2	Very high	36 Å²	36	58.3 Å²	58.3	37%	0.371	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	19.6	179.9	0	0	0	0	0	115.6	I402 R406 A449 G450	I402-G453 VanDerWaalsContact CG2-O 3.28Å; I402-G453 WeakPolarHBondContact CG2-O 3.24Å; R406-G453 PolarHBondContact NE-O 2.95Å; R406-G453 PolarHBondContact NH2-O 2.91Å; A449-G453 PolarHBondContact O-N 3.35Å; G450-G453 PolarHBondContact O-N 2.8Å
454	A	97.3	Very high	95.7	Very high	10 Å²	10	53.4 Å²	53.4	8%	0.083	29%	0.285	C	S	.	.			trans	-86.6	157	175.7	0	0	0	0	0	111.6	I402 I415 A449 I452 V457	I402-A454 HydrophobicContact CD1-CB 3.94Å; I415-A454 HydrophobicContact CG1-CB 3.88Å; A449-A454 CarbonylContact C-O 3.6Å; A449-A454 PolarHBondContact O-N 2.87Å; I452-A454 HydrophobicContact CD1-CB 4.14Å; I452-A454 HydrophobicContact CG1-CB 3.91Å; A454-V457 HydrophobicContact CB-CG2 3.87Å
455	D	98.4	Very high	96.1	Very high	71 Å²	71	50 Å²	50	38%	0.38	27%	0.269	S	S	.	.	S	Bend	trans	-75.5	-35.5	173.7	-60.7	-75.1	0	0	0	111.9	R406 E412 V413	R406-D455 IonicContact CZ-OD1 3.32Å; R406-D455 IonicContact CZ-OD2 3.79Å; R406-D455 IonicContact NH1-OD1 3.46Å; R406-D455 IonicContact NH1-OD2 3.82Å; R406-D455 PolarHBondContact NH1-OD2 2.89Å; R406-D455 IonicContact NH2-OD1 2.68Å; R406-D455 PolarHBondContact NH2-OD1 2.82Å; R406-D455 IonicContact NH2-OD2 3.85Å; R406-D455 PolarHBondContact NH2-OD2 3.25Å; E412-D455 WeakPolarHBondContact CA-OD2 3.3Å; V413-D455 PolarHBondContact N-OD2 3.17Å; V413-D455 PolarHBondContact O-N 2.78Å
456	S	98.3	Very high	96.4	Very high	26 Å²	26	49.7 Å²	49.7	18%	0.182	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	157.3	166.6	71.7	0	0	0	0	111.7	H414 I415 R416	H414-S456 PolarHBondContact ND1-OG 3.32Å; I415-S456 PolarHBondContact N-O 3.34Å; R416-S456 PolarHBondContact NH1-OG 3.17Å
457	V	98.1	Very high	96.7	Very high	15 Å²	15	43.5 Å²	43.5	9%	0.091	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	124.4	175.7	-177.5	0	0	0	0	107.6	I415 I448 A449 I452 A454 Y459	I415-V457 HydrophobicContact CB-CB 4.45Å; I415-V457 HydrophobicContact CB-CG1 4.26Å; I415-V457 HydrophobicContact CB-CG2 4.06Å; I415-V457 HydrophobicContact CG1-CG2 4.3Å; I415-V457 HydrophobicContact CG2-CG1 4.37Å; I415-V457 WeakPolarHBondContact O-CA 3.22Å; I448-V457 HydrophobicContact CG2-CB 3.7Å; I448-V457 HydrophobicContact CG2-CG1 3.81Å; I448-V457 HydrophobicContact CG2-CG2 4.07Å; A449-V457 HydrophobicContact CB-CB 4.44Å; A449-V457 HydrophobicContact CB-CG2 3.84Å; I452-V457 HydrophobicContact CD1-CG2 3.58Å; I452-V457 HydrophobicContact CG1-CG2 4.23Å; A454-V457 HydrophobicContact CB-CG2 3.87Å; V457-Y459 HydrophobicContact CG1-CD2 4.36Å; V457-Y459 HydrophobicContact CG1-CE2 3.75Å
458	E	98.3	Very high	96.8	Very high	98 Å²	98	38.7 Å²	38.7	46%	0.458	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	149.4	174.8	-64.4	-70.7	176.5	0	0	110.2	A314 I415 R416 V417	A314-E458 HydrophobicContact CB-CB 3.51Å; A314-E458 HydrophobicContact CB-CG 4.01Å; I415-E458 PolarHBondContact O-N 2.88Å; I415-E458 VanDerWaalsContact O-N 3.13Å; R416-E458 WeakPolarHBondContact CA-O 2.92Å; V417-E458 PolarHBondContact N-O 3.03Å
459	Y	98.4	Very high	96.9	Very high	26 Å²	26	38.2 Å²	38.2	10%	0.102	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	147.7	-177.2	-70.2	-102.5	0	0	0	110.3	I392 V417 S419 P421 F445 I448 V457	I392-Y459 HydrophobicContact CB-CE1 4.47Å; V417-Y459 HydrophobicContact CB-CD1 3.53Å; V417-Y459 HydrophobicContact CB-CE1 3.8Å; V417-Y459 HydrophobicContact CB-CG 4.12Å; V417-Y459 HydrophobicContact CG1-CD1 3.78Å; V417-Y459 HydrophobicContact CG1-CE1 3.85Å; V417-Y459 HydrophobicContact CG2-CD1 3.87Å; V417-Y459 HydrophobicContact CG2-CE1 3.68Å; V417-Y459 HydrophobicContact CG2-CG 4.36Å; S419-Y459 WeakPolarHBondContact O-CD1 3.33Å; P421-Y459 HydrophobicContact CB-CD1 4.35Å; P421-Y459 HydrophobicContact CB-CE1 4.35Å; P421-Y459 HydrophobicContact CG-CD1 3.77Å; P421-Y459 HydrophobicContact CG-CD2 4.08Å; P421-Y459 HydrophobicContact CG-CE1 4.16Å; P421-Y459 HydrophobicContact CG-CE2 4.44Å; P421-Y459 HydrophobicContact CG-CG 3.73Å; F445-Y459 AromaticContact CE2-CE2 3.84Å; F445-Y459 HydrophobicContact CE2-CE2 3.84Å; F445-Y459 AromaticContact CE2-CZ 3.98Å; F445-Y459 HydrophobicContact CZ-CE2 4.17Å; I448-Y459 HydrophobicContact CD1-CE2 4.32Å; I448-Y459 WeakPolarHBondContact CD1-OH 3.44Å; V457-Y459 HydrophobicContact CG1-CD2 4.36Å; V457-Y459 HydrophobicContact CG1-CE2 3.75Å
460	L	98.6	Very high	96.9	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	23%	0.231	C	C	.	.			trans	-60.8	138.5	165.7	-174.3	62.6	0	0	0	109.5	C306 Q309 L310 V417 P420 L465	C306-L460 HydrophobicContact CB-CD2 3.97Å; Q309-L460 HydrophobicContact CB-CD1 3.99Å; Q309-L460 HydrophobicContact CG-CD1 3.73Å; L310-L460 HydrophobicContact CB-CD1 4.18Å; L310-L460 HydrophobicContact CD1-CB 4.08Å; V417-L460 PolarHBondContact O-N 3.1Å; P420-L460 WeakPolarHBondContact CA-O 3.39Å; P420-L460 WeakPolarHBondContact CB-O 3.34Å; P420-L460 VanDerWaalsContact CG-O 3.32Å; P420-L460 WeakPolarHBondContact CG-O 3.36Å; L460-L465 HydrophobicContact CD2-CB 3.86Å; L460-L465 HydrophobicContact CD2-CD1 4.19Å; L460-L465 HydrophobicContact CG-CB 4.34Å
461	T	98.6	Very high	96.8	Very high	60 Å²	60	42.9 Å²	42.9	37%	0.368	23%	0.23	S	C	.	.			trans	-72.1	160.2	175.4	60.7	0	0	0	0	112	E313 E463 G464 L465	E313-T461 PolarHBondContact OE1-OG1 3.04Å; E313-T461 VanDerWaalsContact OE1-OG1 3.13Å; E313-T461 VanDerWaalsContact OE2-CB 3.32Å; E313-T461 WeakPolarHBondContact OE2-CB 3.47Å; E313-T461 VanDerWaalsContact OE2-CG2 3.23Å; E313-T461 WeakPolarHBondContact OE2-CG2 3.13Å; E313-T461 PolarHBondContact OE2-N 3.22Å; E313-T461 PolarHBondContact OE2-OG1 2.88Å; T461-E463 VanDerWaalsContact C-N 3.27Å; T461-E463 PolarHBondContact O-N 3.3Å; T461-G464 PolarHBondContact O-N 2.85Å; T461-G464 PolarHBondContact OG1-N 3.31Å; T461-L465 PolarHBondContact O-N 2.67Å
462	V	98.4	Very high	96.5	Very high	33 Å²	33	38.2 Å²	38.2	20%	0.2	22%	0.216	C	C	.	.	H	α-helix	trans	-62.3	-42.4	176.4	175.3	0	0	0	0	109.9	P420 L465 V466 L494 T495	P420-V462 HydrophobicContact CB-CG2 3.75Å; P420-V462 HydrophobicContact CG-CB 4.27Å; P420-V462 HydrophobicContact CG-CG2 3.75Å; V462-L465 PolarHBondContact O-N 3.34Å; V462-V466 HydrophobicContact CG1-CG2 4.4Å; V462-V466 WeakPolarHBondContact O-CB 3.35Å; V462-V466 VanDerWaalsContact O-CG2 3.31Å; V462-V466 WeakPolarHBondContact O-CG2 3.19Å; V462-V466 PolarHBondContact O-N 3.12Å; V462-L494 HydrophobicContact CG2-CB 4.21Å; V462-T495 HydrophobicContact CG1-CG2 3.84Å; V462-T495 HydrophobicContact CG2-CG2 4.27Å
463	E	98.3	Very high	96.5	Very high	139 Å²	139	38.2 Å²	38.2	65%	0.65	22%	0.215	S	C	*	.	H	α-helix	trans	-61.1	-45.2	176.3	-63.7	71.1	-157.5	0	0	110.9	T461 V466 S467	T461-E463 VanDerWaalsContact C-N 3.27Å; T461-E463 PolarHBondContact O-N 3.3Å; E463-V466 PolarHBondContact O-N 3.43Å; E463-S467 WeakPolarHBondContact O-CB 3.4Å; E463-S467 PolarHBondContact O-N 3.45Å
464	G	98.3	Very high	95.9	Very high	2 Å²	2	38.8 Å²	38.8	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-60.2	-46.3	175.5	0	0	0	0	0	113.2	E313 T461 A468	E313-G464 WeakPolarHBondContact OE1-CA 3.34Å; T461-G464 PolarHBondContact O-N 2.85Å; T461-G464 PolarHBondContact OG1-N 3.31Å; G464-A468 WeakPolarHBondContact O-CB 3.31Å; G464-A468 PolarHBondContact O-N 3.35Å
465	L	98.4	Very high	95	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-62.3	-49.9	176.6	176.7	64.7	0	0	0	111.6	I281 V285 P420 L460 T461 V462 S467 A468 V469 L494	I281-L465 HydrophobicContact CD1-CD2 3.71Å; I281-L465 HydrophobicContact CD1-CG 3.74Å; I281-L465 HydrophobicContact CG1-CD2 4.05Å; I281-L465 HydrophobicContact CG1-CG 4.25Å; I281-L465 HydrophobicContact CG2-CD2 4.35Å; V285-L465 HydrophobicContact CG2-CD1 3.96Å; V285-L465 HydrophobicContact CG2-CD2 3.93Å; P420-L465 HydrophobicContact CG-CB 4.26Å; P420-L465 HydrophobicContact CG-CD2 4.22Å; L460-L465 HydrophobicContact CD2-CB 3.86Å; L460-L465 HydrophobicContact CD2-CD1 4.19Å; L460-L465 HydrophobicContact CG-CB 4.34Å; T461-L465 PolarHBondContact O-N 2.67Å; V462-L465 PolarHBondContact O-N 3.34Å; L465-S467 VanDerWaalsContact C-N 3.34Å; L465-S467 PolarHBondContact O-N 3.48Å; L465-A468 PolarHBondContact O-N 3.03Å; L465-V469 HydrophobicContact CD1-CG2 4.3Å; L465-V469 WeakPolarHBondContact O-CG2 3.39Å; L465-V469 PolarHBondContact O-N 2.78Å; L465-L494 HydrophobicContact CD2-CD1 3.82Å
466	V	97.6	Very high	93.9	Very high	34 Å²	34	42 Å²	42	21%	0.206	23%	0.23	C	C	.	.	H	α-helix	trans	-61.3	-44.8	-179.6	171	0	0	0	0	110.6	I281 V462 E463 A468 V469 Q470 T491	I281-V466 HydrophobicContact CD1-CG2 3.95Å; V462-V466 HydrophobicContact CG1-CG2 4.4Å; V462-V466 WeakPolarHBondContact O-CB 3.35Å; V462-V466 VanDerWaalsContact O-CG2 3.31Å; V462-V466 WeakPolarHBondContact O-CG2 3.19Å; V462-V466 PolarHBondContact O-N 3.12Å; E463-V466 PolarHBondContact O-N 3.43Å; V466-A468 PolarHBondContact O-N 3.44Å; V466-V469 PolarHBondContact O-N 2.87Å; V466-Q470 HydrophobicContact CG1-CG 4.22Å; V466-Q470 WeakPolarHBondContact O-CB 3.49Å; V466-Q470 VanDerWaalsContact O-CG 3.3Å; V466-Q470 WeakPolarHBondContact O-CG 3.37Å; V466-Q470 PolarHBondContact O-N 3.15Å; V466-T491 HydrophobicContact CG2-CG2 3.93Å
467	S	96.7	Very high	93	Very high	67 Å²	67	42.8 Å²	42.8	47%	0.469	23%	0.231	S	C	.	.	H	α-helix	trans	-58.1	-49.7	176.7	-176	0	0	0	0	111.7	E463 L465 V469 Q470 E471	E463-S467 WeakPolarHBondContact O-CB 3.4Å; E463-S467 PolarHBondContact O-N 3.45Å; L465-S467 VanDerWaalsContact C-N 3.34Å; L465-S467 PolarHBondContact O-N 3.48Å; S467-V469 VanDerWaalsContact C-N 3.29Å; S467-V469 PolarHBondContact O-N 2.82Å; S467-Q470 PolarHBondContact O-N 3.17Å; S467-E471 WeakPolarHBondContact O-CB 2.79Å; S467-E471 PolarHBondContact O-N 3.16Å
468	A	96.6	Very high	91.6	Very high	2 Å²	2	50.2 Å²	50.2	2%	0.017	26%	0.262	C	S	.	.	H	α-helix	trans	-62.1	-34.4	-179.7	0	0	0	0	0	113.3	R305 G464 L465 V466	R305-A468 HydrophobicContact CB-CB 4.14Å; R305-A468 PolarHBondContact NE-O 2.78Å; R305-A468 PolarHBondContact NH2-O 3.31Å; G464-A468 WeakPolarHBondContact O-CB 3.31Å; G464-A468 PolarHBondContact O-N 3.35Å; L465-A468 PolarHBondContact O-N 3.03Å; V466-A468 PolarHBondContact O-N 3.44Å
469	V	96.4	Very high	90	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-70.8	-47.1	174.6	173.5	0	0	0	0	110.9	I281 Y284 Q297 V302 L465 V466 S467 I473	I281-V469 HydrophobicContact CD1-CG2 4.37Å; I281-V469 HydrophobicContact CG1-CG2 4.18Å; Y284-V469 HydrophobicContact CD2-CG1 3.66Å; Y284-V469 HydrophobicContact CD2-CG2 4.13Å; Y284-V469 HydrophobicContact CE2-CG1 3.53Å; Y284-V469 HydrophobicContact CG-CG1 4.45Å; Y284-V469 HydrophobicContact CG-CG2 4.38Å; Q297-V469 PolarHBondContact NE2-O 3.04Å; Q297-V469 PolarHBondContact OE1-O 2.9Å; V302-V469 HydrophobicContact CG1-CB 4.42Å; V302-V469 HydrophobicContact CG1-CG2 3.75Å; L465-V469 HydrophobicContact CD1-CG2 4.3Å; L465-V469 WeakPolarHBondContact O-CG2 3.39Å; L465-V469 PolarHBondContact O-N 2.78Å; V466-V469 PolarHBondContact O-N 2.87Å; S467-V469 VanDerWaalsContact C-N 3.29Å; S467-V469 PolarHBondContact O-N 2.82Å; V469-I473 HydrophobicContact CG1-CD1 4.45Å
470	Q	95.1	Very high	88.2	Confident	58 Å²	58	54.7 Å²	54.7	27%	0.271	29%	0.286	S	S	.	.	H	α-helix	trans	-76.7	-23.3	-173.4	-68.3	-175	-8.5	0	0	114.2	V466 S467 G472 I473 S474 V487	V466-Q470 HydrophobicContact CG1-CG 4.22Å; V466-Q470 WeakPolarHBondContact O-CB 3.49Å; V466-Q470 VanDerWaalsContact O-CG 3.3Å; V466-Q470 WeakPolarHBondContact O-CG 3.37Å; V466-Q470 PolarHBondContact O-N 3.15Å; S467-Q470 PolarHBondContact O-N 3.17Å; Q470-G472 VanDerWaalsContact C-N 3.33Å; Q470-G472 PolarHBondContact O-N 2.96Å; Q470-I473 PolarHBondContact O-N 3.43Å; Q470-S474 WeakPolarHBondContact O-CB 3.46Å; Q470-S474 PolarHBondContact O-N 3.07Å; Q470-S474 PolarHBondContact O-OG 2.79Å; Q470-V487 HydrophobicContact CG-CG1 3.86Å
471	E	92.8	Very high	85.8	Confident	105 Å²	105	61.1 Å²	61.1	49%	0.491	33%	0.325	S	S	.	.	H	α-helix	trans	-55	-46	177	-173.4	-169.6	151.5	0	0	112.3	S467 S475	S467-E471 WeakPolarHBondContact O-CB 2.79Å; S467-E471 PolarHBondContact O-N 3.16Å; E471-S475 PolarHBondContact O-N 2.94Å; E471-S475 PolarHBondContact O-OG 2.81Å
472	G	86.7	Confident	83.4	Confident	12 Å²	12	64.1 Å²	64.1	12%	0.124	35%	0.348	C	S	.	.	H	α-helix	trans	-68.8	-38.4	179.7	0	0	0	0	0	112.8	Q470 S475 F476	Q470-G472 VanDerWaalsContact C-N 3.33Å; Q470-G472 PolarHBondContact O-N 2.96Å; G472-S475 PolarHBondContact O-N 2.81Å; G472-F476 PolarHBondContact O-N 3.24Å; G472-F476 VanDerWaalsContact O-N 3.08Å
473	I	90.2	Very high	81.2	Confident	6 Å²	6	63.7 Å²	63.7	3%	0.031	35%	0.347	C	S	.	.	H	α-helix	trans	-64.8	-47.6	178.9	-54.3	175	0	0	0	110	E295 V469 Q470 S475 F476 Q477 V487	E295-I473 HydrophobicContact CB-CD1 3.96Å; E295-I473 HydrophobicContact CB-CG1 4.08Å; E295-I473 HydrophobicContact CG-CD1 4.44Å; E295-I473 WeakPolarHBondContact OE2-CD1 3.19Å; V469-I473 HydrophobicContact CG1-CD1 4.45Å; Q470-I473 PolarHBondContact O-N 3.43Å; I473-S475 VanDerWaalsContact C-N 3.27Å; I473-S475 PolarHBondContact O-N 3.06Å; I473-F476 PolarHBondContact O-N 3.04Å; I473-Q477 HydrophobicContact CG2-CG 4.35Å; I473-Q477 WeakPolarHBondContact O-CG 3.38Å; I473-Q477 PolarHBondContact O-N 2.84Å; I473-V487 HydrophobicContact CD1-CG1 3.74Å; I473-V487 HydrophobicContact CG2-CG1 4.34Å; I473-V487 HydrophobicContact CG2-CG2 3.82Å
474	S	83.1	Confident	79.1	Confident	49 Å²	49	66.1 Å²	66.1	34%	0.343	36%	0.358	S	S	.	.	H	α-helix	trans	-61.3	-37.7	179.8	-59	0	0	0	0	112	Q470 K478	Q470-S474 WeakPolarHBondContact O-CB 3.46Å; Q470-S474 PolarHBondContact O-N 3.07Å; Q470-S474 PolarHBondContact O-OG 2.79Å; S474-K478 VanDerWaalsContact O-CG 3.29Å; S474-K478 WeakPolarHBondContact O-CG 3.48Å; S474-K478 PolarHBondContact O-N 3.39Å; S474-K478 VanDerWaalsContact O-N 3.09Å
475	S	77.3	Confident	77.7	Confident	58 Å²	58	71.6 Å²	71.6	41%	0.406	38%	0.381	S	S	.	.	H	α-helix	trans	-65.7	-45.5	176.6	-56.9	0	0	0	0	111.1	E471 G472 I473 Q477 K478 E479	E471-S475 PolarHBondContact O-N 2.94Å; E471-S475 PolarHBondContact O-OG 2.81Å; G472-S475 PolarHBondContact O-N 2.81Å; I473-S475 VanDerWaalsContact C-N 3.27Å; I473-S475 PolarHBondContact O-N 3.06Å; S475-Q477 PolarHBondContact O-N 2.95Å; S475-K478 PolarHBondContact O-N 3.36Å; S475-E479 PolarHBondContact O-N 2.85Å
476	F	76.1	Confident	76.8	Confident	91 Å²	91	77.2 Å²	77.2	40%	0.399	41%	0.408	S	S	.	.	H	α-helix	trans	-64.2	-38.9	177	-175.5	-95.4	0	0	0	113.2	G472 I473 E479 N480	G472-F476 PolarHBondContact O-N 3.24Å; G472-F476 VanDerWaalsContact O-N 3.08Å; I473-F476 PolarHBondContact O-N 3.04Å; F476-E479 PolarHBondContact O-N 2.99Å; F476-N480 PolarHBondContact O-N 2.83Å; F476-N480 PolarHBondContact O-ND2 3.44Å
477	Q	78.6	Confident	76.3	Confident	42 Å²	42	77 Å²	77	20%	0.196	41%	0.406	C	S	.	.	H	α-helix	trans	-68.6	-35.8	177	-73.8	-176.6	-6.4	0	0	112.5	I473 S475 E479 N480 K485	I473-Q477 HydrophobicContact CG2-CG 4.35Å; I473-Q477 WeakPolarHBondContact O-CG 3.38Å; I473-Q477 PolarHBondContact O-N 2.84Å; S475-Q477 PolarHBondContact O-N 2.95Å; Q477-E479 VanDerWaalsContact C-N 3.29Å; Q477-E479 PolarHBondContact O-N 3.48Å; Q477-N480 CarbonylContact O-C 2.96Å; Q477-N480 VanDerWaalsContact O-C 3.22Å; Q477-N480 PolarHBondContact O-N 2.82Å; Q477-N480 VanDerWaalsContact O-N 3.12Å; Q477-N480 VanDerWaalsContact O-O 3.05Å; Q477-K485 PolarHBondContact NE2-O 3.27Å
478	K	69.1	Low	76.2	Confident	170 Å²	170	74.1 Å²	74.1	74%	0.739	39%	0.387	S	S	*	.	H	α-helix	trans	-63.3	-35.3	175.8	-77.4	171.4	-176.5	176.2	0	112.4	S474 S475 N480	S474-K478 VanDerWaalsContact O-CG 3.29Å; S474-K478 WeakPolarHBondContact O-CG 3.48Å; S474-K478 PolarHBondContact O-N 3.39Å; S474-K478 VanDerWaalsContact O-N 3.09Å; S475-K478 PolarHBondContact O-N 3.36Å; K478-N480 VanDerWaalsContact C-N 3.28Å
479	E	64.6	Low	76.2	Confident	154 Å²	154	75 Å²	75	72%	0.72	39%	0.39	S	S	*	.	H	α-helix	trans	-74.2	-20.5	175.7	-67.3	178.4	177.6	0	0	112.5	S475 F476 Q477	S475-E479 PolarHBondContact O-N 2.85Å; F476-E479 PolarHBondContact O-N 2.99Å; Q477-E479 VanDerWaalsContact C-N 3.29Å; Q477-E479 PolarHBondContact O-N 3.48Å
480	N	61.6	Low	76.2	Confident	65 Å²	65	75.5 Å²	75.5	35%	0.348	39%	0.394	S	S	.	.			trans	-120.2	80.3	-178	-68.1	-68.5	0	0	0	111.9	F476 Q477 K478 S482 S483	F476-N480 PolarHBondContact O-N 2.83Å; F476-N480 PolarHBondContact O-ND2 3.44Å; Q477-N480 CarbonylContact O-C 2.96Å; Q477-N480 VanDerWaalsContact O-C 3.22Å; Q477-N480 PolarHBondContact O-N 2.82Å; Q477-N480 VanDerWaalsContact O-N 3.12Å; Q477-N480 VanDerWaalsContact O-O 3.05Å; K478-N480 VanDerWaalsContact C-N 3.28Å; N480-S482 PolarHBondContact O-N 3.04Å; N480-S483 PolarHBondContact O-N 2.88Å; N480-S483 PolarHBondContact O-OG 3.09Å
481	V	47.7	Very low	76.3	Confident	136 Å²	136	73.9 Å²	73.9	82%	0.824	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-20.3	-173.7	-171.6	0	0	0	0	114.7	S483	V481-S483 VanDerWaalsContact C-N 3.33Å; V481-S483 PolarHBondContact O-N 2.81Å
482	S	48.2	Very low	76.5	Confident	123 Å²	123	68.9 Å²	68.9	86%	0.86	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	5.2	178.6	57.7	0	0	0	0	115.3	N480	N480-S482 PolarHBondContact O-N 3.04Å
483	S	51.7	Low	77	Confident	23 Å²	23	68.8 Å²	68.8	16%	0.161	36%	0.362	C	S	.	.			trans	-135	37.7	-165.2	69.2	0	0	0	0	116	N480 V481 K485	N480-S483 PolarHBondContact O-N 2.88Å; N480-S483 PolarHBondContact O-OG 3.09Å; V481-S483 VanDerWaalsContact C-N 3.33Å; V481-S483 PolarHBondContact O-N 2.81Å; S483-K485 VanDerWaalsContact C-N 3.27Å; S483-K485 PolarHBondContact O-N 3.4Å
484	Q	55	Low	77.3	Confident	190 Å²	190	68.9 Å²	68.9	89%	0.888	36%	0.363	S	S	*	.			trans	-65.7	90.5	166.3	-76.2	-168.8	-15.2	0	0	109.7
485	K	67.9	Low	77.9	Confident	117 Å²	117	68.8 Å²	68.8	51%	0.509	36%	0.36	S	S	.	.			trans	-107.6	139	175.8	-68.4	-178.8	-179.7	177.1	0	108.4	L251 Q477 S483 V487	L251-K485 VanDerWaalsContact CD2-NZ 3.31Å; Q477-K485 PolarHBondContact NE2-O 3.27Å; S483-K485 VanDerWaalsContact C-N 3.27Å; S483-K485 PolarHBondContact O-N 3.4Å; K485-V487 WeakPolarHBondContact O-CG2 3.38Å; K485-V487 PolarHBondContact O-N 2.91Å
486	E	79.3	Confident	78.8	Confident	120 Å²	120	67.1 Å²	67.1	56%	0.561	35%	0.352	S	S	*	.			trans	-53.2	134.9	166.6	-66.7	-179.6	151.9	0	0	109.6	L276 P277	L276-E486 HydrophobicContact CD2-CB 3.93Å; L276-E486 HydrophobicContact CD2-CG 4.32Å; P277-E486 WeakPolarHBondContact CG-O 3.49Å
487	V	88	Confident	79.7	Confident	30 Å²	30	70.8 Å²	70.8	18%	0.182	37%	0.368	C	S	.	.			trans	-113	130.3	-178.6	-177.2	0	0	0	0	107.8	Q470 I473 K485	Q470-V487 HydrophobicContact CG-CG1 3.86Å; I473-V487 HydrophobicContact CD1-CG1 3.74Å; I473-V487 HydrophobicContact CG2-CG1 4.34Å; I473-V487 HydrophobicContact CG2-CG2 3.82Å; K485-V487 WeakPolarHBondContact O-CG2 3.38Å; K485-V487 PolarHBondContact O-N 2.91Å
488	G	93.6	Very high	80.5	Confident	5 Å²	5	71 Å²	71	5%	0.052	37%	0.367	C	S	.	.			trans	-158	148.5	177.6	0	0	0	0	0	111.4	P277 F279	P277-G488 CarbonylContact C-O 3.31Å; P277-G488 CarbonylContact O-C 3.57Å; P277-G488 WeakPolarHBondContact O-CA 3.49Å; P277-G488 VanDerWaalsContact O-O 3.08Å; F279-G488 PolarHBondContact N-O 2.99Å
489	H	96.9	Very high	81.6	Confident	21 Å²	21	64.4 Å²	64.4	10%	0.097	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	137.5	-176.1	-63	89.5	0	0	0	109.6	F279 I281 E295 T491	F279-H489 CarbonylContact O-C 2.88Å; F279-H489 VanDerWaalsContact O-CA 3.27Å; F279-H489 WeakPolarHBondContact O-CA 3.2Å; I281-H489 HydrophobicContact CB-CB 4.21Å; I281-H489 HydrophobicContact CD1-CB 4.12Å; I281-H489 HydrophobicContact CG1-CB 4.3Å; E295-H489 IonicContact OE1-CE1 2.97Å; E295-H489 IonicContact OE1-NE2 3.69Å; E295-H489 PolarHBondContact OE1-NE2 3.12Å; E295-H489 IonicContact OE2-CD2 3.16Å; E295-H489 IonicContact OE2-CE1 3.28Å; E295-H489 IonicContact OE2-NE2 3.54Å; E295-H489 PolarHBondContact OE2-NE2 2.89Å; H489-T491 PolarHBondContact O-N 3.15Å
490	C	97.5	Very high	82.9	Confident	11 Å²	11	58.2 Å²	58.2	7%	0.074	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	117.2	171.8	168.9	0	0	0	0	109.3	A278 F279 I281 M428	A278-C490 HydrophobicContact CB-CB 4.03Å; A278-C490 VanDerWaalsContact O-CB 3.3Å; A278-C490 WeakPolarHBondContact O-CB 3.44Å; F279-C490 PolarHBondContact O-N 3.37Å; I281-C490 WeakPolarHBondContact CB-O 3.42Å; I281-C490 VanDerWaalsContact CG2-O 3.22Å; I281-C490 WeakPolarHBondContact CG2-O 3.38Å; I281-C490 PolarHBondContact N-O 3.34Å; M428-C490 WeakPolarHBondContact CE-SG 3.25Å
491	T	97.3	Very high	84.1	Confident	23 Å²	23	62.9 Å²	62.9	14%	0.141	33%	0.333	C	S	.	.			trans	-114.2	18.3	175.1	58.6	0	0	0	0	112.3	I281 V466 H489 C493 L494 T495	I281-T491 HydrophobicContact CD1-CG2 3.89Å; I281-T491 HydrophobicContact CG2-CG2 4.33Å; V466-T491 HydrophobicContact CG2-CG2 3.93Å; H489-T491 PolarHBondContact O-N 3.15Å; T491-C493 VanDerWaalsContact C-N 3.3Å; T491-C493 PolarHBondContact O-N 3.24Å; T491-L494 WeakPolarHBondContact O-CA 3.47Å; T491-L494 WeakPolarHBondContact O-CB 3.19Å; T491-L494 PolarHBondContact O-N 2.73Å; T491-T495 PolarHBondContact O-N 3.01Å; T491-T495 PolarHBondContact O-OG1 2.98Å; T491-T495 VanDerWaalsContact O-OG1 3.11Å; T491-T495 PolarHBondContact OG1-OG1 2.8Å
492	A	96.8	Very high	85.9	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.008	30%	0.304	C	S	.	.	H	α-helix	trans	-56.1	-39.7	-170	0	0	0	0	0	113.8	F424 M428 L494 T495 G496 K497 Y498	F424-A492 WeakPolarHBondContact CB-O 3.4Å; M428-A492 HydrophobicContact CE-CB 3.91Å; A492-L494 PolarHBondContact O-N 2.88Å; A492-L494 VanDerWaalsContact O-N 3.16Å; A492-T495 PolarHBondContact O-N 2.85Å; A492-G496 VanDerWaalsContact O-CA 3.3Å; A492-G496 WeakPolarHBondContact O-CA 3.42Å; A492-G496 PolarHBondContact O-N 3.09Å; A492-K497 WeakPolarHBondContact CB-O 3.45Å; A492-Y498 HydrophobicContact CB-CD1 3.48Å; A492-Y498 VanDerWaalsContact CB-CD1 3.48Å; A492-Y498 HydrophobicContact CB-CD2 4.35Å; A492-Y498 HydrophobicContact CB-CE1 3.67Å; A492-Y498 HydrophobicContact CB-CG 3.84Å
493	C	95.7	Very high	86.8	Confident	9 Å²	9	58.5 Å²	58.5	6%	0.061	29%	0.291	C	S	.	.	H	α-helix	trans	-64.3	-18.3	176.8	55.6	0	0	0	0	114	F282 I422 R423 F424 I432 T491	F282-C493 WeakPolarHBondContact CD2-SG 3.43Å; F282-C493 WeakPolarHBondContact CE2-SG 3.48Å; I422-C493 HydrophobicContact CG2-CB 4.36Å; R423-C493 PolarHBondContact N-O 2.58Å; F424-C493 PolarHBondContact N-O 2.63Å; F424-C493 WeakPolarHBondContact O-CA 3.45Å; I432-C493 HydrophobicContact CD1-CB 3.33Å; T491-C493 VanDerWaalsContact C-N 3.3Å; T491-C493 PolarHBondContact O-N 3.24Å
494	L	97.1	Very high	87.2	Confident	9 Å²	9	69.6 Å²	69.6	5%	0.047	33%	0.33	C	S	.	.	H	α-helix	trans	-100	-41.6	179.8	-51	175.6	0	0	0	111.2	I281 F282 P420 I422 V462 L465 T491 A492	I281-L494 HydrophobicContact CG2-CD1 4.31Å; F282-L494 HydrophobicContact CE2-CD2 3.85Å; F282-L494 HydrophobicContact CE2-CG 4.33Å; F282-L494 HydrophobicContact CZ-CD2 4.44Å; P420-L494 HydrophobicContact CB-CD1 4.27Å; P420-L494 HydrophobicContact CB-CD2 4.15Å; P420-L494 HydrophobicContact CG-CD1 3.88Å; I422-L494 HydrophobicContact CG1-CD2 4.23Å; V462-L494 HydrophobicContact CG2-CB 4.21Å; L465-L494 HydrophobicContact CD2-CD1 3.82Å; T491-L494 WeakPolarHBondContact O-CA 3.47Å; T491-L494 WeakPolarHBondContact O-CB 3.19Å; T491-L494 PolarHBondContact O-N 2.73Å; A492-L494 PolarHBondContact O-N 2.88Å; A492-L494 VanDerWaalsContact O-N 3.16Å
495	T	97	Very high	88.9	Confident	46 Å²	46	63.6 Å²	63.6	28%	0.282	30%	0.302	S	S	.	.	H	α-helix	trans	-108.2	-17.7	-168.7	63.9	0	0	0	0	114.7	V462 T491 A492 K497	V462-T495 HydrophobicContact CG1-CG2 3.84Å; V462-T495 HydrophobicContact CG2-CG2 4.27Å; T491-T495 PolarHBondContact O-N 3.01Å; T491-T495 PolarHBondContact O-OG1 2.98Å; T491-T495 VanDerWaalsContact O-OG1 3.11Å; T491-T495 PolarHBondContact OG1-OG1 2.8Å; A492-T495 PolarHBondContact O-N 2.85Å; T495-K497 PolarHBondContact O-N 3.16Å; T495-K497 PolarHBondContact OG1-N 3.13Å
496	G	95.6	Very high	90	Very high	24 Å²	24	60.7 Å²	60.7	25%	0.247	29%	0.291	C	S	.	.	S	Bend	trans	75.5	2.6	-172.9	0	0	0	0	0	114	F424 A492 Y498	F424-G496 VanDerWaalsContact CD2-CA 3.49Å; A492-G496 VanDerWaalsContact O-CA 3.3Å; A492-G496 WeakPolarHBondContact O-CA 3.42Å; A492-G496 PolarHBondContact O-N 3.09Å; G496-Y498 WeakPolarHBondContact O-CD2 3.36Å; G496-Y498 PolarHBondContact O-N 3.48Å
497	K	95.4	Very high	90.5	Very high	168 Å²	168	57.4 Å²	57.4	73%	0.73	28%	0.276	S	S	*	.			trans	-92.3	96.2	177	-60.7	-179	-177.4	178.5	0	109.2	A492 T495	A492-K497 WeakPolarHBondContact CB-O 3.45Å; T495-K497 PolarHBondContact O-N 3.16Å; T495-K497 PolarHBondContact OG1-N 3.13Å
498	Y	94.9	Very high	90.7	Very high	45 Å²	45	59.1 Å²	59.1	18%	0.176	28%	0.281	C	S	.	.			trans	-76.7	146.3	174.6	-63.8	-93.6	0	0	0	109.9	P425 Y427 M428 A492 G496 I500 L502	P425-Y498 PolarHBondContact O-OH 3.05Å; Y427-Y498 HydrophobicContact CD2-CD1 4.45Å; Y427-Y498 AromaticContact CD2-CE1 3.65Å; Y427-Y498 HydrophobicContact CD2-CE1 3.65Å; Y427-Y498 AromaticContact CD2-CZ 3.84Å; Y427-Y498 HydrophobicContact CE2-CE1 4.22Å; Y427-Y498 AromaticContact CE2-CZ 3.91Å; M428-Y498 HydrophobicContact CE-CD1 3.77Å; M428-Y498 HydrophobicContact CE-CE1 4.21Å; A492-Y498 HydrophobicContact CB-CD1 3.48Å; A492-Y498 VanDerWaalsContact CB-CD1 3.48Å; A492-Y498 HydrophobicContact CB-CD2 4.35Å; A492-Y498 HydrophobicContact CB-CE1 3.67Å; A492-Y498 HydrophobicContact CB-CG 3.84Å; G496-Y498 WeakPolarHBondContact O-CD2 3.36Å; G496-Y498 PolarHBondContact O-N 3.48Å; Y498-I500 WeakPolarHBondContact CB-O 3.47Å; Y498-I500 PolarHBondContact O-N 3.06Å; Y498-L502 HydrophobicContact CD1-CD1 3.95Å; Y498-L502 HydrophobicContact CD1-CD2 4.28Å; Y498-L502 HydrophobicContact CD1-CG 4.44Å; Y498-L502 HydrophobicContact CD2-CD1 3.72Å; Y498-L502 HydrophobicContact CD2-CG 4.41Å; Y498-L502 HydrophobicContact CE1-CD1 4.05Å; Y498-L502 HydrophobicContact CE2-CD1 3.81Å; Y498-L502 HydrophobicContact CG-CD1 3.8Å; Y498-L502 HydrophobicContact CG-CD2 4.4Å; Y498-L502 HydrophobicContact CG-CG 4.16Å
499	P	92.8	Very high	90.5	Very high	32 Å²	32	62.4 Å²	62.4	21%	0.208	30%	0.296	C	S	.	.	S	Bend	trans	-68.1	-13.3	180	28.4	-35.1	0	0	0	113.1	Y201 A278 M428	Y201-P499 HydrophobicContact CD1-CB 3.97Å; Y201-P499 HydrophobicContact CE1-CB 3.99Å; Y201-P499 PolarHBondContact OH-O 3.35Å; A278-P499 HydrophobicContact CB-CB 3.71Å; A278-P499 HydrophobicContact CB-CG 4.06Å; M428-P499 HydrophobicContact SD-CG 3.73Å
500	I	91.1	Very high	90.1	Very high	25 Å²	25	65.2 Å²	65.2	13%	0.128	31%	0.309	C	S	.	.	S	Bend	trans	-137.8	159.6	178.4	55	156.2	0	0	0	109.7	V126 P181 T182 Y201 Y498	V126-I500 HydrophobicContact CB-CD1 3.77Å; V126-I500 HydrophobicContact CG1-CD1 3.75Å; V126-I500 HydrophobicContact CG2-CD1 3.2Å; P181-I500 HydrophobicContact CB-CG2 4.34Å; P181-I500 HydrophobicContact CG-CD1 4.18Å; T182-I500 HydrophobicContact CG2-CD1 3.6Å; T182-I500 HydrophobicContact CG2-CG1 3.85Å; T182-I500 HydrophobicContact CG2-CG2 4.24Å; Y201-I500 HydrophobicContact CD2-CG2 4.45Å; Y201-I500 HydrophobicContact CE2-CG2 3.63Å; Y498-I500 WeakPolarHBondContact CB-O 3.47Å; Y498-I500 PolarHBondContact O-N 3.06Å
501	E	87.3	Confident	89.6	Confident	162 Å²	162	69.1 Å²	69.1	76%	0.757	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-69.4	133.7	170.2	-167.8	170.4	-168.8	0	0	110.1
502	L	84.3	Confident	89	Confident	39 Å²	39	72.6 Å²	72.6	20%	0.204	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-91.1	126.2	179.1	-60.1	175.7	0	0	0	109.2	V126 Y427 Y498 W504	V126-L502 HydrophobicContact CB-CD2 4.44Å; V126-L502 HydrophobicContact CG1-CD2 4.28Å; Y427-L502 HydrophobicContact CD2-CD1 3.45Å; Y427-L502 VanDerWaalsContact CD2-CD1 3.45Å; Y427-L502 HydrophobicContact CD2-CD2 4.3Å; Y427-L502 HydrophobicContact CE2-CD1 3.66Å; Y427-L502 HydrophobicContact CG-CD1 4.46Å; Y498-L502 HydrophobicContact CD1-CD1 3.95Å; Y498-L502 HydrophobicContact CD1-CD2 4.28Å; Y498-L502 HydrophobicContact CD1-CG 4.44Å; Y498-L502 HydrophobicContact CD2-CD1 3.72Å; Y498-L502 HydrophobicContact CD2-CG 4.41Å; Y498-L502 HydrophobicContact CE1-CD1 4.05Å; Y498-L502 HydrophobicContact CE2-CD1 3.81Å; Y498-L502 HydrophobicContact CG-CD1 3.8Å; Y498-L502 HydrophobicContact CG-CD2 4.4Å; Y498-L502 HydrophobicContact CG-CG 4.16Å; L502-W504 WeakPolarHBondContact O-CZ3 3.32Å
503	E	68.4	Low	88.3	Confident	128 Å²	128	78.6 Å²	78.6	60%	0.598	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-81.2	116.5	174.7	-64.3	-176.6	173.9	0	0	110
504	W	60.4	Low	87.6	Confident	256 Å²	256	84.9 Å²	84.9	97%	0.97	40%	0.395	S	S	*	.			trans	-87	0	178.3	42.7	74.5	0	0	0	114.1	R129 L502	R129-W504 PolarHBondContact NH1-OXT 3.07Å; L502-W504 WeakPolarHBondContact O-CZ3 3.32Å

Retrieved 504 of 504 residues in 329.7 ms (Link to these results)

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