A0A077ZM84_TRITR Loading...

Large ribosomal subunit protein uL16m

AlphaFold DB , UniProt , Accession A0A077ZM84, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 128 aa.

						>A0A077ZM84_TRITR|A0A077ZM84
MRGEAKGGKEIAFGEYGLQAVDSHWITNRQIEAARIAMTRYMKRGGKVWIKIFPHKSYTAKAIGVRMGSGKGAPEGWVSPVKRGKIMFEIAGVPEEVAREALRLASHKLPMKTKIVKREEMGGESNEG
					

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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	75.2	Confident	90.7	Very high	94 Å²	94	91.6 Å²	91.6	46%	0.463	46%	0.463	S	S	.	.				0	134.1	0	-81.6	162	58.6	0	0	108.3	W25 P80 K82	M1-W25 PolarHBondContact SD-NE1 2.8Å; M1-W25 VanDerWaalsContact SD-NE1 3.44Å; M1-P80 HydrophobicContact CE-CB 3.44Å; M1-P80 VanDerWaalsContact CE-CB 3.44Å; M1-P80 HydrophobicContact SD-CB 3.6Å; M1-P80 VanDerWaalsContact SD-CB 3.6Å; M1-K82 HydrophobicContact CE-CD 4.47Å; M1-K82 HydrophobicContact CE-CG 3.48Å; M1-K82 VanDerWaalsContact CE-CG 3.48Å
2	R	84.3	Confident	91	Very high	236 Å²	236	88.3 Å²	88.3	89%	0.891	46%	0.46	S	S	*	.			trans	-94.6	148	-176	-63.8	-176.6	-177.5	178.1	0.8	111.7	K82	R2-K82 PolarHBondContact O-NZ 3.02Å; R2-K82 VanDerWaalsContact O-NZ 3.09Å
3	G	89.5	Confident	91.2	Very high	39 Å²	39	90.8 Å²	90.8	40%	0.402	47%	0.465	S	S	.	.	S	Bend	trans	87.7	171.7	175.3	0	0	0	0	0	114.8
4	E	92.5	Very high	91.3	Very high	95 Å²	95	84.4 Å²	84.4	44%	0.444	43%	0.432	S	S	.	.	B	Isolated β-bridge	trans	-81.9	160	173.1	-160.4	179.7	171.6	0	0	111.3	K9 K82 R83	E4-K9 WeakPolarHBondContact OE1-CE 3.3Å; E4-K9 IonicContact OE1-NZ 3.66Å; E4-K9 PolarHBondContact OE1-NZ 2.88Å; E4-K9 IonicContact OE2-NZ 2.76Å; E4-K9 PolarHBondContact OE2-NZ 2.82Å; E4-K82 WeakPolarHBondContact O-CD 3.48Å; E4-R83 HydrophobicContact CB-CG 4.23Å; E4-R83 HydrophobicContact CG-CG 3.97Å; E4-R83 WeakPolarHBondContact CG-O 3.48Å
5	A	93.5	Very high	91.6	Very high	7 Å²	7	84.8 Å²	84.8	6%	0.058	43%	0.432	C	S	.	.			trans	-57.5	137.1	167.8	0	0	0	0	0	109.8	K9 K82 R83 K85	A5-K9 HydrophobicContact CB-CG 4.38Å; A5-K9 WeakPolarHBondContact O-CE 3.42Å; A5-K9 PolarHBondContact O-NZ 3.18Å; A5-K82 HydrophobicContact CB-CB 4.06Å; A5-R83 WeakPolarHBondContact CB-O 3.5Å; A5-R83 PolarHBondContact N-O 3.42Å; A5-K85 HydrophobicContact CB-CB 4.07Å; A5-K85 HydrophobicContact CB-CD 4.17Å
6	K	93.4	Very high	92	Very high	208 Å²	208	80.6 Å²	80.6	90%	0.904	41%	0.409	S	S	*	.	S	Bend	trans	-80.5	-19.1	174.1	-68.5	-171.7	175.3	-171.9	0	112.9
7	G	92.8	Very high	92.3	Very high	35 Å²	35	75.8 Å²	75.8	36%	0.361	39%	0.385	S	S	.	.	S	Bend	trans	-169.9	168.3	-177.2	0	0	0	0	0	112.7	K85	G7-K85 WeakPolarHBondContact O-CD 3.2Å; G7-K85 PolarHBondContact O-NZ 3.45Å
8	G	93.4	Very high	92.6	Very high	37 Å²	37	71.6 Å²	71.6	38%	0.381	36%	0.364	S	S	.	.			trans	70.8	39.7	-167.9	0	0	0	0	0	112	I86	G8-I86 PolarHBondContact O-N 3.49Å
9	K	94.7	Very high	92.9	Very high	76 Å²	76	70.3 Å²	70.3	33%	0.33	36%	0.356	S	S	.	.			trans	-92.8	-17.4	176.1	-60.5	-172.1	-173.6	-178.3	0	113.3	E4 A5 G84 I86	E4-K9 WeakPolarHBondContact OE1-CE 3.3Å; E4-K9 IonicContact OE1-NZ 3.66Å; E4-K9 PolarHBondContact OE1-NZ 2.88Å; E4-K9 IonicContact OE2-NZ 2.76Å; E4-K9 PolarHBondContact OE2-NZ 2.82Å; A5-K9 HydrophobicContact CB-CG 4.38Å; A5-K9 WeakPolarHBondContact O-CE 3.42Å; A5-K9 PolarHBondContact O-NZ 3.18Å; K9-G84 WeakPolarHBondContact CA-O 3.45Å; K9-I86 WeakPolarHBondContact O-CG1 3.36Å
10	E	94	Very high	93.1	Very high	164 Å²	164	66.8 Å²	66.8	77%	0.766	34%	0.338	S	S	*	.	S	Bend	trans	-102.7	155.2	-179.6	-68.5	161.1	-158.1	0	0	110.7
11	I	95.2	Very high	93.3	Very high	17 Å²	17	67.3 Å²	67.3	9%	0.087	35%	0.345	C	S	.	.			trans	-79.9	120.2	171.2	-61	164.7	0	0	0	107.5	G14 E89 V116 R118	I11-G14 WeakPolarHBondContact CG2-O 3.22Å; I11-E89 HydrophobicContact CG2-CB 4.47Å; I11-E89 HydrophobicContact CG2-CG 4.08Å; I11-V116 HydrophobicContact CD1-CB 4.46Å; I11-V116 HydrophobicContact CD1-CG2 3.93Å; I11-V116 HydrophobicContact CG1-CG2 4.26Å; I11-R118 HydrophobicContact CB-CB 4.29Å; I11-R118 HydrophobicContact CD1-CB 4.05Å; I11-R118 HydrophobicContact CG2-CB 4.31Å
12	A	93.4	Very high	94.2	Very high	52 Å²	52	65.7 Å²	65.7	43%	0.43	34%	0.338	S	S	.	.	S	Bend	trans	-99.8	-38.1	-175.1	0	0	0	0	0	113.6	E89	A12-E89 PolarHBondContact N-OE1 2.84Å; A12-E89 VanDerWaalsContact N-OE1 3.12Å; A12-E89 PolarHBondContact N-OE2 2.86Å
13	F	93.8	Very high	94.8	Very high	120 Å²	120	56 Å²	56	53%	0.526	31%	0.306	S	S	.	.	S	Bend	trans	-114.7	-38.8	-170.5	-51.6	-65.2	0	0	0	112.4	W49 K51 E89	F13-W49 HydrophobicContact CB-CD2 3.72Å; F13-W49 HydrophobicContact CB-CE3 4.27Å; F13-W49 HydrophobicContact CB-CG 3.96Å; F13-W49 HydrophobicContact CB-CH2 4.46Å; F13-W49 HydrophobicContact CB-CZ2 3.97Å; F13-W49 HydrophobicContact CD2-CB 4.49Å; F13-W49 AromaticContact CD2-CD1 3.83Å; F13-W49 HydrophobicContact CD2-CG 4.14Å; F13-W49 AromaticContact CG-CD1 3.98Å; F13-W49 HydrophobicContact CG-CG 4.36Å; F13-W49 AromaticContact CG-NE1 3.96Å; F13-K51 HydrophobicContact CD2-CD 4.08Å; F13-K51 HydrophobicContact CE2-CD 4.16Å; F13-E89 WeakPolarHBondContact CA-OE2 3.46Å; F13-E89 WeakPolarHBondContact CB-OE2 3.43Å; F13-E89 PolarHBondContact N-OE2 2.99Å
14	G	93.1	Very high	95.2	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.01	31%	0.306	C	S	.	.			trans	-84.9	-176.6	-177.7	0	0	0	0	0	115.1	I11 E89 I90 R118	I11-G14 WeakPolarHBondContact CG2-O 3.22Å; G14-E89 PolarHBondContact N-OE2 3.04Å; G14-I90 WeakPolarHBondContact CA-O 3.45Å; G14-R118 WeakPolarHBondContact O-CD 2.97Å
15	E	95.8	Very high	95.4	Very high	91 Å²	91	58.9 Å²	58.9	43%	0.425	30%	0.304	S	S	.	.	S	Bend	trans	-101.8	-31.3	170.9	-66.1	161.7	158.9	0	0	110.6	I90 A91 G92 R118	E15-I90 PolarHBondContact N-O 2.89Å; E15-A91 HydrophobicContact CB-CB 4.37Å; E15-A91 HydrophobicContact CG-CB 3.89Å; E15-A91 VanDerWaalsContact OE2-CA 3.3Å; E15-A91 WeakPolarHBondContact OE2-CA 3.31Å; E15-G92 PolarHBondContact OE2-N 3Å; E15-R118 WeakPolarHBondContact O-CB 3.38Å; E15-R118 PolarHBondContact O-N 2.88Å
16	Y	97.2	Very high	95.6	Very high	17 Å²	17	58.5 Å²	58.5	7%	0.067	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	149.3	178.5	-53.2	-88.4	0	0	0	110.5	E89 I90 E95 A98 V116 K117	Y16-E89 CarbonylContact O-C 3.51Å; Y16-E89 VanDerWaalsContact O-CA 3.26Å; Y16-E89 WeakPolarHBondContact O-CA 3.28Å; Y16-I90 PolarHBondContact N-O 2.85Å; Y16-I90 VanDerWaalsContact N-O 3.09Å; Y16-I90 PolarHBondContact O-N 3.47Å; Y16-E95 HydrophobicContact CE1-CB 4.25Å; Y16-E95 HydrophobicContact CE1-CG 3.6Å; Y16-E95 WeakPolarHBondContact OH-CA 3.38Å; Y16-E95 WeakPolarHBondContact OH-CB 3.14Å; Y16-E95 WeakPolarHBondContact OH-CG 3.43Å; Y16-E95 PolarHBondContact OH-OE2 3.19Å; Y16-A98 HydrophobicContact CD1-CB 4.45Å; Y16-A98 HydrophobicContact CD2-CB 3.43Å; Y16-A98 VanDerWaalsContact CD2-CB 3.43Å; Y16-A98 HydrophobicContact CE2-CB 3.81Å; Y16-A98 HydrophobicContact CG-CB 3.8Å; Y16-V116 CarbonylContact C-O 3.6Å; Y16-V116 WeakPolarHBondContact CA-O 3.12Å; Y16-K117 HydrophobicContact CD1-CB 4.1Å; Y16-K117 HydrophobicContact CD1-CG 3.99Å; Y16-K117 HydrophobicContact CE1-CB 4.19Å; Y16-K117 HydrophobicContact CE1-CD 3.81Å; Y16-K117 HydrophobicContact CE1-CG 3.7Å
17	G	97.2	Very high	95.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	156.9	-178.9	0	0	0	0	0	113.9	F88 I115 V116	G17-F88 CarbonylContact C-O 3.5Å; G17-F88 WeakPolarHBondContact CA-O 3.37Å; G17-I115 WeakPolarHBondContact O-CA 3.35Å; G17-V116 PolarHBondContact N-O 3.42Å; G17-V116 WeakPolarHBondContact O-CG2 3.47Å; G17-V116 PolarHBondContact O-N 3.02Å
18	L	97.8	Very high	96	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	108.2	172	-166.1	65.2	0	0	0	109.9	M87 F88 L102 A105 L109 T113 I115	L18-M87 HydrophobicContact CD2-CE 4.43Å; L18-M87 HydrophobicContact CG-CE 4.4Å; L18-M87 PolarHBondContact O-N 2.89Å; L18-F88 HydrophobicContact CB-CB 4.37Å; L18-F88 HydrophobicContact CB-CD2 4.46Å; L18-F88 HydrophobicContact CD2-CD2 4.11Å; L18-F88 PolarHBondContact N-O 3.41Å; L18-L102 HydrophobicContact CB-CD2 4.03Å; L18-L102 HydrophobicContact CD1-CB 4.42Å; L18-A105 HydrophobicContact CD2-CB 4.3Å; L18-L109 HydrophobicContact CD2-CD1 3.72Å; L18-T113 HydrophobicContact CD1-CG2 4.37Å; L18-T113 HydrophobicContact CD2-CG2 4.21Å; L18-T113 HydrophobicContact CG-CG2 4.09Å; L18-I115 HydrophobicContact CD1-CG1 4.05Å
19	Q	97.6	Very high	96.2	Very high	46 Å²	46	60 Å²	60	22%	0.215	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	138.4	-179.6	-168.8	177.9	65.9	0	0	111.5	G84 K85 I86 T113 K114 V116	Q19-G84 PolarHBondContact NE2-O 2.96Å; Q19-K85 WeakPolarHBondContact CA-O 3.46Å; Q19-I86 HydrophobicContact CB-CD1 3.62Å; Q19-I86 HydrophobicContact CG-CD1 3.84Å; Q19-T113 CarbonylContact O-C 3.6Å; Q19-T113 WeakPolarHBondContact O-CA 3.47Å; Q19-T113 WeakPolarHBondContact O-CB 3.5Å; Q19-K114 PolarHBondContact N-O 2.92Å; Q19-K114 PolarHBondContact O-N 3.39Å; Q19-V116 HydrophobicContact CB-CG1 4.23Å; Q19-V116 HydrophobicContact CB-CG2 4.2Å
20	A	97.6	Very high	96.3	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.008	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	126.8	171.1	0	0	0	0	0	112.1	V81 G84 K85 M87 M111	A20-V81 HydrophobicContact CB-CG1 3.7Å; A20-G84 PolarHBondContact O-N 2.9Å; A20-K85 PolarHBondContact N-O 2.91Å; A20-M87 HydrophobicContact CB-CE 4.2Å; A20-M87 HydrophobicContact CB-SD 4.49Å; A20-M111 HydrophobicContact CB-CE 3.33Å; A20-M111 HydrophobicContact CB-SD 4.2Å
21	V	96.8	Very high	96.5	Very high	77 Å²	77	51.5 Å²	51.5	47%	0.467	25%	0.25	S	S	.	.	S	Bend	trans	-88.3	-39.1	175.2	176.4	0	0	0	0	111.1	R83 K112 K114	V21-R83 WeakPolarHBondContact O-CB 3.3Å; V21-K112 HydrophobicContact CB-CB 3.89Å; V21-K112 WeakPolarHBondContact CB-O 3.34Å; V21-K112 HydrophobicContact CG1-CB 4.36Å; V21-K112 PolarHBondContact N-O 3.44Å; V21-K114 HydrophobicContact CG2-CB 3.91Å
22	D	95.5	Very high	96.6	Very high	61 Å²	61	54.4 Å²	54.4	33%	0.326	26%	0.263	S	S	.	.	S	Bend	trans	-114.6	-172.3	174.3	54.8	7.2	0	0	0	111	R83 M111 K112	D22-R83 WeakPolarHBondContact O-CA 3.46Å; D22-R83 PolarHBondContact O-N 3.21Å; D22-M111 WeakPolarHBondContact O-CE 3.22Å; D22-M111 VanDerWaalsContact OD1-CB 3.3Å; D22-M111 WeakPolarHBondContact OD1-CB 3.47Å; D22-K112 PolarHBondContact OD1-N 2.88Å; D22-K112 PolarHBondContact OD2-N 3.45Å
23	S	97.1	Very high	96.9	Very high	31 Å²	31	53.7 Å²	53.7	22%	0.217	26%	0.258	C	S	.	.			trans	-118.6	130.1	-175.9	-55.5	0	0	0	0	111	V81 K82 R83	S23-V81 CarbonylContact C-O 3.55Å; S23-V81 VanDerWaalsContact CA-O 3.3Å; S23-V81 WeakPolarHBondContact CA-O 3.44Å; S23-V81 WeakPolarHBondContact CB-O 3.48Å; S23-K82 WeakPolarHBondContact OG-CA 3.32Å; S23-R83 PolarHBondContact OG-N 2.98Å
24	H	97.1	Very high	97.1	Very high	86 Å²	86	48 Å²	48	40%	0.398	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	162.1	-178.1	-147.8	75.4	0	0	0	112.5	I26 V81 P110 M111	H24-I26 HydrophobicContact CB-CD1 4.11Å; H24-V81 PolarHBondContact N-O 3.5Å; H24-V81 PolarHBondContact O-N 3.45Å; H24-P110 WeakPolarHBondContact CD2-CG 3.3Å; H24-M111 HydrophobicContact CB-CB 3.91Å; H24-M111 HydrophobicContact CB-CE 4.39Å; H24-M111 HydrophobicContact CB-SD 4.41Å
25	W	97.3	Very high	97.3	Very high	109 Å²	109	51.9 Å²	51.9	41%	0.413	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	122.4	168.2	-76.9	5.3	0	0	0	109.6	M1 K56 V78	M1-W25 PolarHBondContact SD-NE1 2.8Å; M1-W25 VanDerWaalsContact SD-NE1 3.44Å; W25-K56 HydrophobicContact CZ2-CD 4.48Å; W25-V78 HydrophobicContact CB-CB 4.09Å; W25-V78 HydrophobicContact CB-CG1 4.2Å; W25-V78 HydrophobicContact CB-CG2 4.32Å; W25-V78 HydrophobicContact CD2-CG2 3.88Å; W25-V78 HydrophobicContact CE3-CG1 4.43Å; W25-V78 HydrophobicContact CE3-CG2 3.83Å; W25-V78 HydrophobicContact CG-CB 4.41Å; W25-V78 HydrophobicContact CG-CG2 4.1Å
26	I	97.5	Very high	97.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	120.1	-179.6	-49.6	-50.8	0	0	0	109.1	H24 Q30 I31 I52 V78 S79 V81 L109 P110 M111	H24-I26 HydrophobicContact CB-CD1 4.11Å; I26-Q30 HydrophobicContact CG2-CB 3.86Å; I26-I31 HydrophobicContact CG2-CD1 4.49Å; I26-I31 HydrophobicContact CG2-CG1 3.74Å; I26-I52 HydrophobicContact CB-CD1 4.26Å; I26-I52 HydrophobicContact CG1-CD1 4.41Å; I26-I52 HydrophobicContact CG2-CD1 4.2Å; I26-V78 CarbonylContact O-C 3.53Å; I26-V78 VanDerWaalsContact O-CA 3.3Å; I26-V78 WeakPolarHBondContact O-CA 3.25Å; I26-S79 PolarHBondContact N-O 3.08Å; I26-S79 PolarHBondContact O-N 3.09Å; I26-V81 HydrophobicContact CB-CG2 4.4Å; I26-V81 HydrophobicContact CG1-CB 4.21Å; I26-V81 HydrophobicContact CG1-CG2 3.63Å; I26-L109 HydrophobicContact CG2-CD2 4.05Å; I26-P110 HydrophobicContact CD1-CG 3.72Å; I26-M111 HydrophobicContact CD1-CG 4.45Å; I26-M111 HydrophobicContact CD1-SD 3.76Å; I26-M111 HydrophobicContact CG1-SD 4.28Å
27	T	97.8	Very high	97.4	Very high	33 Å²	33	49.9 Å²	49.9	20%	0.202	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	156.7	177.9	63.1	0	0	0	0	111.6	R29 Q30 I31 V78	T27-R29 PolarHBondContact O-N 2.72Å; T27-Q30 PolarHBondContact O-N 3.22Å; T27-Q30 VanDerWaalsContact O-N 3.15Å; T27-Q30 VanDerWaalsContact OG1-CD 3.23Å; T27-Q30 VanDerWaalsContact OG1-CG 3.28Å; T27-Q30 WeakPolarHBondContact OG1-CG 3.43Å; T27-Q30 PolarHBondContact OG1-N 2.79Å; T27-Q30 PolarHBondContact OG1-OE1 2.86Å; T27-I31 WeakPolarHBondContact O-CG1 3.37Å; T27-I31 PolarHBondContact O-N 3.15Å; T27-V78 HydrophobicContact CG2-CG1 4.05Å
28	N	96	Very high	97.3	Very high	75 Å²	75	49.9 Å²	49.9	40%	0.401	24%	0.242	S	C	.	.	H	α-helix	trans	-54.9	-37.5	171	66.8	-44.8	0	0	0	112.6	Q30 I31 E32 P54 W77	N28-Q30 PolarHBondContact O-N 2.81Å; N28-I31 PolarHBondContact O-N 2.83Å; N28-E32 PolarHBondContact O-N 2.87Å; N28-P54 HydrophobicContact CB-CB 4.19Å; N28-P54 HydrophobicContact CB-CG 3.95Å; N28-W77 PolarHBondContact N-O 3.3Å
29	R	97	Very high	97.3	Very high	203 Å²	203	51.4 Å²	51.4	77%	0.766	25%	0.252	S	S	*	.	H	α-helix	trans	-63	-40.6	177.2	-64.6	-178.1	-178.1	171.5	2.5	112.4	T27 E32 A33	T27-R29 PolarHBondContact O-N 2.72Å; R29-E32 PolarHBondContact O-N 3.08Å; R29-A33 WeakPolarHBondContact O-CB 3.16Å; R29-A33 PolarHBondContact O-N 3.22Å
30	Q	98	Very high	97.2	Very high	51 Å²	51	58.5 Å²	58.5	24%	0.238	28%	0.276	C	S	.	.	H	α-helix	trans	-69.7	-39.8	176.7	-73.7	159.1	-29.1	0	0	111.9	I26 T27 N28 E32 A33 A34	I26-Q30 HydrophobicContact CG2-CB 3.86Å; T27-Q30 PolarHBondContact O-N 3.22Å; T27-Q30 VanDerWaalsContact O-N 3.15Å; T27-Q30 VanDerWaalsContact OG1-CD 3.23Å; T27-Q30 VanDerWaalsContact OG1-CG 3.28Å; T27-Q30 WeakPolarHBondContact OG1-CG 3.43Å; T27-Q30 PolarHBondContact OG1-N 2.79Å; T27-Q30 PolarHBondContact OG1-OE1 2.86Å; N28-Q30 PolarHBondContact O-N 2.81Å; Q30-E32 VanDerWaalsContact C-N 3.3Å; Q30-E32 PolarHBondContact O-N 3.28Å; Q30-A33 PolarHBondContact O-N 2.8Å; Q30-A34 WeakPolarHBondContact O-CB 3.29Å; Q30-A34 PolarHBondContact O-N 2.93Å
31	I	98	Very high	97.1	Very high	11 Å²	11	63.1 Å²	63.1	6%	0.056	29%	0.294	C	S	.	.	H	α-helix	trans	-57.8	-47.2	174.3	-65.6	172.1	0	0	0	110	I26 T27 N28 A34 R35 I50 I52 P54 F88	I26-I31 HydrophobicContact CG2-CD1 4.49Å; I26-I31 HydrophobicContact CG2-CG1 3.74Å; T27-I31 WeakPolarHBondContact O-CG1 3.37Å; T27-I31 PolarHBondContact O-N 3.15Å; N28-I31 PolarHBondContact O-N 2.83Å; I31-A34 PolarHBondContact O-N 3.18Å; I31-R35 PolarHBondContact O-N 3.45Å; I31-I50 HydrophobicContact CG2-CD1 4.16Å; I31-I50 HydrophobicContact CG2-CG2 3.67Å; I31-I52 HydrophobicContact CD1-CD1 3.97Å; I31-I52 HydrophobicContact CD1-CG1 4.13Å; I31-I52 HydrophobicContact CG1-CD1 3.85Å; I31-I52 HydrophobicContact CG1-CG1 4.31Å; I31-P54 HydrophobicContact CD1-CB 4.33Å; I31-P54 HydrophobicContact CD1-CG 4.34Å; I31-F88 HydrophobicContact CG2-CE1 4.21Å; I31-F88 HydrophobicContact CG2-CZ 4.29Å
32	E	97.9	Very high	97.1	Very high	77 Å²	77	60 Å²	60	36%	0.36	28%	0.275	S	S	.	.	H	α-helix	trans	-68.5	-41	-179.8	-178.8	57.5	-168	0	0	112.4	N28 R29 Q30 A34 R35 I36	N28-E32 PolarHBondContact O-N 2.87Å; R29-E32 PolarHBondContact O-N 3.08Å; Q30-E32 VanDerWaalsContact C-N 3.3Å; Q30-E32 PolarHBondContact O-N 3.28Å; E32-A34 VanDerWaalsContact C-N 3.32Å; E32-A34 PolarHBondContact O-N 2.66Å; E32-R35 PolarHBondContact O-N 2.86Å; E32-R35 IonicContact OE1-CZ 2.7Å; E32-R35 IonicContact OE1-NE 2.71Å; E32-R35 PolarHBondContact OE1-NE 3.48Å; E32-R35 IonicContact OE1-NH2 2.65Å; E32-R35 PolarHBondContact OE1-NH2 3.35Å; E32-R35 IonicContact OE2-CZ 3.36Å; E32-R35 IonicContact OE2-NE 3.26Å; E32-R35 PolarHBondContact OE2-NE 2.99Å; E32-R35 IonicContact OE2-NH2 3.38Å; E32-I36 HydrophobicContact CG-CD1 3.89Å; E32-I36 HydrophobicContact CG-CG1 4.42Å; E32-I36 WeakPolarHBondContact O-CB 3.49Å; E32-I36 VanDerWaalsContact O-CG1 3.27Å; E32-I36 WeakPolarHBondContact O-CG1 3.27Å; E32-I36 PolarHBondContact O-N 3.07Å; E32-I36 WeakPolarHBondContact OE1-CD1 3.43Å
33	A	98.1	Very high	97.1	Very high	38 Å²	38	65.9 Å²	65.9	31%	0.314	30%	0.297	S	S	.	.	H	α-helix	trans	-59.6	-42.2	175	0	0	0	0	0	112.1	R29 Q30 A37 K108	R29-A33 WeakPolarHBondContact O-CB 3.16Å; R29-A33 PolarHBondContact O-N 3.22Å; Q30-A33 PolarHBondContact O-N 2.8Å; A33-A37 WeakPolarHBondContact O-CB 3.24Å; A33-A37 PolarHBondContact O-N 3Å; A33-K108 HydrophobicContact CB-CB 4.2Å; A33-K108 HydrophobicContact CB-CG 4.4Å
34	A	98.1	Very high	96.8	Very high	0 Å²	0	75.6 Å²	75.6	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-65.2	-44.1	175.2	0	0	0	0	0	111.8	Q30 I31 E32 I36 A37 M38 F88 A105 K108 L109	Q30-A34 WeakPolarHBondContact O-CB 3.29Å; Q30-A34 PolarHBondContact O-N 2.93Å; I31-A34 PolarHBondContact O-N 3.18Å; E32-A34 VanDerWaalsContact C-N 3.32Å; E32-A34 PolarHBondContact O-N 2.66Å; A34-I36 PolarHBondContact O-N 3.17Å; A34-A37 PolarHBondContact O-N 2.93Å; A34-M38 WeakPolarHBondContact O-CG 3.46Å; A34-M38 PolarHBondContact O-N 2.96Å; A34-F88 HydrophobicContact CB-CE1 4.33Å; A34-F88 HydrophobicContact CB-CE2 3.86Å; A34-F88 HydrophobicContact CB-CZ 3.61Å; A34-A105 HydrophobicContact CB-CB 4.26Å; A34-K108 HydrophobicContact CB-CB 4.23Å; A34-L109 HydrophobicContact CB-CD2 4.14Å
35	R	97.7	Very high	96.5	Very high	82 Å²	82	73.1 Å²	73.1	31%	0.309	33%	0.327	S	S	.	.	H	α-helix	trans	-58.9	-46.5	175.2	-171.4	-160.6	70.9	77.9	-2.5	111.9	I31 E32 M38 T39 I50	I31-R35 PolarHBondContact O-N 3.45Å; E32-R35 PolarHBondContact O-N 2.86Å; E32-R35 IonicContact OE1-CZ 2.7Å; E32-R35 IonicContact OE1-NE 2.71Å; E32-R35 PolarHBondContact OE1-NE 3.48Å; E32-R35 IonicContact OE1-NH2 2.65Å; E32-R35 PolarHBondContact OE1-NH2 3.35Å; E32-R35 IonicContact OE2-CZ 3.36Å; E32-R35 IonicContact OE2-NE 3.26Å; E32-R35 PolarHBondContact OE2-NE 2.99Å; E32-R35 IonicContact OE2-NH2 3.38Å; R35-M38 PolarHBondContact O-N 3.39Å; R35-T39 HydrophobicContact CG-CG2 4.43Å; R35-T39 WeakPolarHBondContact O-CB 3.33Å; R35-T39 WeakPolarHBondContact O-CG2 3.2Å; R35-T39 PolarHBondContact O-N 2.83Å; R35-T39 PolarHBondContact O-OG1 3.17Å; R35-I50 HydrophobicContact CB-CD1 4.38Å; R35-I50 HydrophobicContact CG-CD1 4.14Å
36	I	97.5	Very high	96.4	Very high	49 Å²	49	69.8 Å²	69.8	25%	0.251	33%	0.327	S	S	.	.	H	α-helix	trans	-61.3	-44.5	177.7	-70	169.2	0	0	0	110.5	E32 A34 T39 R40	E32-I36 HydrophobicContact CG-CD1 3.89Å; E32-I36 HydrophobicContact CG-CG1 4.42Å; E32-I36 WeakPolarHBondContact O-CB 3.49Å; E32-I36 VanDerWaalsContact O-CG1 3.27Å; E32-I36 WeakPolarHBondContact O-CG1 3.27Å; E32-I36 PolarHBondContact O-N 3.07Å; E32-I36 WeakPolarHBondContact OE1-CD1 3.43Å; A34-I36 PolarHBondContact O-N 3.17Å; I36-T39 PolarHBondContact O-OG1 2.94Å; I36-R40 HydrophobicContact CG2-CG 4.17Å; I36-R40 VanDerWaalsContact CG2-NE 3.26Å; I36-R40 VanDerWaalsContact O-CB 3.29Å; I36-R40 WeakPolarHBondContact O-CB 3.24Å; I36-R40 VanDerWaalsContact O-CG 3.24Å; I36-R40 WeakPolarHBondContact O-CG 3.47Å; I36-R40 PolarHBondContact O-N 2.85Å
37	A	97.2	Very high	96.3	Very high	17 Å²	17	76.4 Å²	76.4	14%	0.14	36%	0.355	C	S	.	.	H	α-helix	trans	-59.4	-48.1	178.8	0	0	0	0	0	112.1	A33 A34 Y41 L104 K108	A33-A37 WeakPolarHBondContact O-CB 3.24Å; A33-A37 PolarHBondContact O-N 3Å; A34-A37 PolarHBondContact O-N 2.93Å; A37-Y41 PolarHBondContact O-N 3.38Å; A37-L104 HydrophobicContact CB-CB 4.49Å; A37-K108 HydrophobicContact CB-CG 4.2Å
38	M	96.6	Very high	96.3	Very high	0 Å²	0	76.8 Å²	76.8	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-62.3	-52.9	178	-66.5	-175.6	-72.1	0	0	111.9	A34 R35 R40 Y41 M42 V48 F88 I90 A101 L102 A105	A34-M38 WeakPolarHBondContact O-CG 3.46Å; A34-M38 PolarHBondContact O-N 2.96Å; R35-M38 PolarHBondContact O-N 3.39Å; M38-R40 VanDerWaalsContact C-N 3.32Å; M38-R40 PolarHBondContact O-N 2.89Å; M38-Y41 PolarHBondContact O-N 3.14Å; M38-M42 HydrophobicContact CB-SD 4.32Å; M38-M42 WeakPolarHBondContact O-CB 3.47Å; M38-M42 VanDerWaalsContact O-CG 3.3Å; M38-M42 WeakPolarHBondContact O-CG 3.38Å; M38-M42 PolarHBondContact O-N 2.76Å; M38-V48 HydrophobicContact CE-CG1 3.71Å; M38-V48 HydrophobicContact SD-CG1 4.44Å; M38-F88 HydrophobicContact CE-CB 3.84Å; M38-F88 HydrophobicContact CE-CD1 3.39Å; M38-F88 HydrophobicContact CE-CD2 4.35Å; M38-F88 HydrophobicContact CE-CE1 3.98Å; M38-F88 HydrophobicContact CE-CG 3.59Å; M38-F88 HydrophobicContact SD-CB 4.09Å; M38-F88 HydrophobicContact SD-CG 4.35Å; M38-I90 HydrophobicContact SD-CG2 4.11Å; M38-A101 HydrophobicContact CB-CB 4.44Å; M38-L102 HydrophobicContact SD-CD2 3.75Å; M38-A105 HydrophobicContact CE-CB 4.45Å; M38-A105 HydrophobicContact CG-CB 3.47Å; M38-A105 VanDerWaalsContact CG-CB 3.47Å; M38-A105 HydrophobicContact SD-CB 3.85Å
39	T	96.1	Very high	96.4	Very high	33 Å²	33	76.7 Å²	76.7	20%	0.202	35%	0.352	C	S	.	.	H	α-helix	trans	-65	-34.1	-174.6	52.2	0	0	0	0	113.1	R35 I36 K43 R44 V48	R35-T39 HydrophobicContact CG-CG2 4.43Å; R35-T39 WeakPolarHBondContact O-CB 3.33Å; R35-T39 WeakPolarHBondContact O-CG2 3.2Å; R35-T39 PolarHBondContact O-N 2.83Å; R35-T39 PolarHBondContact O-OG1 3.17Å; I36-T39 PolarHBondContact O-OG1 2.94Å; T39-K43 PolarHBondContact O-N 2.99Å; T39-R44 PolarHBondContact O-N 3.12Å; T39-V48 HydrophobicContact CG2-CB 4.5Å; T39-V48 HydrophobicContact CG2-CG2 3.9Å
40	R	96.2	Very high	96.4	Very high	194 Å²	194	70.5 Å²	70.5	73%	0.732	33%	0.333	S	S	*	.	H	α-helix	trans	-66.9	-45.7	173.3	-75.4	-179.2	-179.5	-171.8	3	111.6	I36 M38 K43	I36-R40 HydrophobicContact CG2-CG 4.17Å; I36-R40 VanDerWaalsContact CG2-NE 3.26Å; I36-R40 VanDerWaalsContact O-CB 3.29Å; I36-R40 WeakPolarHBondContact O-CB 3.24Å; I36-R40 VanDerWaalsContact O-CG 3.24Å; I36-R40 WeakPolarHBondContact O-CG 3.47Å; I36-R40 PolarHBondContact O-N 2.85Å; M38-R40 VanDerWaalsContact C-N 3.32Å; M38-R40 PolarHBondContact O-N 2.89Å; R40-K43 PolarHBondContact O-N 2.81Å; R40-K43 VanDerWaalsContact O-N 3.15Å
41	Y	96.4	Very high	96.4	Very high	99 Å²	99	70.7 Å²	70.7	39%	0.388	33%	0.333	S	S	.	.	H	α-helix	trans	-65.8	-41.9	-179.5	-172.1	-95	0	0	0	112.1	A37 M38 K43 V97 E100 A101 L104	A37-Y41 PolarHBondContact O-N 3.38Å; M38-Y41 PolarHBondContact O-N 3.14Å; Y41-K43 PolarHBondContact O-N 2.7Å; Y41-K43 VanDerWaalsContact O-N 3.08Å; Y41-V97 HydrophobicContact CD1-CG1 4.18Å; Y41-V97 HydrophobicContact CE1-CG1 4.05Å; Y41-E100 HydrophobicContact CD1-CB 4.37Å; Y41-E100 HydrophobicContact CD1-CG 4.34Å; Y41-E100 HydrophobicContact CD2-CG 4.35Å; Y41-E100 HydrophobicContact CE1-CB 3.55Å; Y41-E100 HydrophobicContact CE1-CG 3.58Å; Y41-E100 HydrophobicContact CE2-CB 4.49Å; Y41-E100 HydrophobicContact CE2-CG 3.6Å; Y41-E100 WeakPolarHBondContact OH-CG 3.39Å; Y41-A101 HydrophobicContact CD1-CB 3.87Å; Y41-L104 HydrophobicContact CD2-CD1 3.37Å; Y41-L104 HydrophobicContact CE2-CD1 4.12Å; Y41-L104 HydrophobicContact CG-CD1 3.69Å
42	M	95.7	Very high	96.3	Very high	10 Å²	10	70.6 Å²	70.6	5%	0.049	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	0.3	175.7	-65	163.4	61.3	0	0	113.4	M38 R44 G45 V48 I90 V93 V97 A101	M38-M42 HydrophobicContact CB-SD 4.32Å; M38-M42 WeakPolarHBondContact O-CB 3.47Å; M38-M42 VanDerWaalsContact O-CG 3.3Å; M38-M42 WeakPolarHBondContact O-CG 3.38Å; M38-M42 PolarHBondContact O-N 2.76Å; M42-R44 PolarHBondContact O-N 2.71Å; M42-G45 WeakPolarHBondContact CE-O 3.5Å; M42-G45 WeakPolarHBondContact O-CA 3.29Å; M42-G45 PolarHBondContact O-N 2.81Å; M42-V48 HydrophobicContact CE-CG2 3.94Å; M42-V48 HydrophobicContact SD-CG2 3.99Å; M42-I90 HydrophobicContact CE-CB 4.3Å; M42-I90 HydrophobicContact CE-CG2 4.39Å; M42-I90 HydrophobicContact SD-CB 4.49Å; M42-I90 HydrophobicContact SD-CD1 4.43Å; M42-I90 HydrophobicContact SD-CG2 4.13Å; M42-V93 HydrophobicContact CB-CG1 4.33Å; M42-V93 HydrophobicContact CE-CG1 3.79Å; M42-V93 HydrophobicContact CE-CG2 3.92Å; M42-V93 HydrophobicContact CG-CG1 4.32Å; M42-V93 HydrophobicContact CG-CG2 4.48Å; M42-V97 HydrophobicContact CG-CG1 4.15Å; M42-A101 HydrophobicContact CG-CB 3.81Å; M42-A101 HydrophobicContact SD-CB 4.03Å
43	K	95	Very high	96.3	Very high	185 Å²	185	74.1 Å²	74.1	80%	0.804	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	36.3	-176.9	-58.6	179.9	-178.5	176.5	0	113.3	T39 R40 Y41 G45	T39-K43 PolarHBondContact O-N 2.99Å; R40-K43 PolarHBondContact O-N 2.81Å; R40-K43 VanDerWaalsContact O-N 3.15Å; Y41-K43 PolarHBondContact O-N 2.7Å; Y41-K43 VanDerWaalsContact O-N 3.08Å; K43-G45 PolarHBondContact O-N 3.22Å
44	R	90.6	Very high	96.2	Very high	235 Å²	235	73.5 Å²	73.5	89%	0.887	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	12	-173.7	-50	176.3	178.5	179.7	-0.9	114.8	T39 M42	T39-R44 PolarHBondContact O-N 3.12Å; M42-R44 PolarHBondContact O-N 2.71Å
45	G	91.8	Very high	96.1	Very high	34 Å²	34	79 Å²	79	35%	0.351	37%	0.365	S	S	.	.			trans	-77.6	154.6	166.7	0	0	0	0	0	111.4	M42 K43	M42-G45 WeakPolarHBondContact CE-O 3.5Å; M42-G45 WeakPolarHBondContact O-CA 3.29Å; M42-G45 PolarHBondContact O-N 2.81Å; K43-G45 PolarHBondContact O-N 3.22Å
46	G	94.3	Very high	96.1	Very high	40 Å²	40	79.2 Å²	79.2	41%	0.412	37%	0.368	S	S	.	.	S	Bend	trans	72.2	-168.7	178.9	0	0	0	0	0	114.9	A91 G92	G46-A91 CarbonylContact C-O 3.53Å; G46-A91 WeakPolarHBondContact CA-O 3.41Å; G46-G92 WeakPolarHBondContact CA-O 3.3Å
47	K	96.5	Very high	96	Very high	138 Å²	138	79.2 Å²	79.2	60%	0.6	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.7	143.7	-179.1	-66.3	179	-177.7	175.8	0	109.6	W49 I90 A91	K47-W49 HydrophobicContact CB-CE3 4.2Å; K47-W49 HydrophobicContact CB-CH2 3.36Å; K47-W49 HydrophobicContact CB-CZ2 3.91Å; K47-W49 HydrophobicContact CB-CZ3 3.51Å; K47-W49 HydrophobicContact CD-CH2 3.72Å; K47-W49 HydrophobicContact CD-CZ2 3.82Å; K47-W49 HydrophobicContact CG-CH2 4.17Å; K47-I90 VanDerWaalsContact O-CA 3.25Å; K47-I90 WeakPolarHBondContact O-CA 3.47Å; K47-A91 PolarHBondContact N-O 3.43Å; K47-A91 PolarHBondContact O-N 2.86Å; K47-A91 VanDerWaalsContact O-N 3.08Å
48	V	97.1	Very high	95.9	Very high	42 Å²	42	82.3 Å²	82.3	26%	0.255	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	124.4	176.9	-179.2	0	0	0	0	108.2	M38 T39 M42 E89 I90	M38-V48 HydrophobicContact CE-CG1 3.71Å; M38-V48 HydrophobicContact SD-CG1 4.44Å; T39-V48 HydrophobicContact CG2-CB 4.5Å; T39-V48 HydrophobicContact CG2-CG2 3.9Å; M42-V48 HydrophobicContact CE-CG2 3.94Å; M42-V48 HydrophobicContact SD-CG2 3.99Å; V48-E89 CarbonylContact C-O 3.57Å; V48-E89 WeakPolarHBondContact CA-O 3.35Å; V48-I90 HydrophobicContact CB-CG2 4.41Å; V48-I90 HydrophobicContact CG1-CG2 4.28Å; V48-I90 HydrophobicContact CG2-CG2 3.98Å
49	W	97.8	Very high	95.9	Very high	73 Å²	73	84.4 Å²	84.4	28%	0.277	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	133	171.9	-64.4	-98.4	0	0	0	110.1	F13 K47 F88 E89 A91	F13-W49 HydrophobicContact CB-CD2 3.72Å; F13-W49 HydrophobicContact CB-CE3 4.27Å; F13-W49 HydrophobicContact CB-CG 3.96Å; F13-W49 HydrophobicContact CB-CH2 4.46Å; F13-W49 HydrophobicContact CB-CZ2 3.97Å; F13-W49 HydrophobicContact CD2-CB 4.49Å; F13-W49 AromaticContact CD2-CD1 3.83Å; F13-W49 HydrophobicContact CD2-CG 4.14Å; F13-W49 AromaticContact CG-CD1 3.98Å; F13-W49 HydrophobicContact CG-CG 4.36Å; F13-W49 AromaticContact CG-NE1 3.96Å; K47-W49 HydrophobicContact CB-CE3 4.2Å; K47-W49 HydrophobicContact CB-CH2 3.36Å; K47-W49 HydrophobicContact CB-CZ2 3.91Å; K47-W49 HydrophobicContact CB-CZ3 3.51Å; K47-W49 HydrophobicContact CD-CH2 3.72Å; K47-W49 HydrophobicContact CD-CZ2 3.82Å; K47-W49 HydrophobicContact CG-CH2 4.17Å; W49-F88 WeakPolarHBondContact O-CA 3.4Å; W49-E89 HydrophobicContact CB-CB 4.21Å; W49-E89 HydrophobicContact CE3-CB 4.31Å; W49-E89 PolarHBondContact N-O 3.39Å; W49-E89 PolarHBondContact O-N 2.99Å; W49-A91 HydrophobicContact CH2-CB 3.94Å; W49-A91 HydrophobicContact CZ3-CB 3.67Å
50	I	97.7	Very high	95.8	Very high	72 Å²	72	84.7 Å²	84.7	37%	0.369	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	117.1	170.3	-52.4	176.3	0	0	0	106.8	I31 R35 I52 F88	I31-I50 HydrophobicContact CG2-CD1 4.16Å; I31-I50 HydrophobicContact CG2-CG2 3.67Å; R35-I50 HydrophobicContact CB-CD1 4.38Å; R35-I50 HydrophobicContact CG-CD1 4.14Å; I50-I52 HydrophobicContact CG2-CG1 4.32Å; I50-I52 VanDerWaalsContact CG2-O 3.24Å; I50-I52 WeakPolarHBondContact CG2-O 3.48Å; I50-F88 HydrophobicContact CB-CD1 4.46Å; I50-F88 HydrophobicContact CB-CE1 4.44Å; I50-F88 HydrophobicContact CG1-CD1 4.2Å; I50-F88 HydrophobicContact CG1-CE1 4.13Å; I50-F88 HydrophobicContact CG2-CD1 4.3Å; I50-F88 HydrophobicContact CG2-CE1 3.93Å
51	K	97.3	Very high	95.7	Very high	56 Å²	56	79.4 Å²	79.4	24%	0.243	38%	0.382	C	S	.	.			trans	-93.1	-12.3	-176.7	-64	-62.9	-64.3	-128.6	0	113.7	F13 I86 M87 E89	F13-K51 HydrophobicContact CD2-CD 4.08Å; F13-K51 HydrophobicContact CE2-CD 4.16Å; K51-I86 VanDerWaalsContact CB-O 3.23Å; K51-I86 WeakPolarHBondContact CB-O 3.14Å; K51-I86 HydrophobicContact CG-CG2 4.34Å; K51-M87 WeakPolarHBondContact CB-O 3.33Å; K51-M87 PolarHBondContact N-O 2.94Å; K51-E89 HydrophobicContact CD-CG 4.16Å; K51-E89 WeakPolarHBondContact CD-OE1 3.24Å; K51-E89 WeakPolarHBondContact CE-OE1 3.09Å; K51-E89 HydrophobicContact CG-CG 3.79Å; K51-E89 WeakPolarHBondContact CG-OE1 3.49Å; K51-E89 IonicContact NZ-OE1 2.73Å; K51-E89 PolarHBondContact NZ-OE1 2.89Å
52	I	96.9	Very high	95.5	Very high	9 Å²	9	78.1 Å²	78.1	5%	0.046	39%	0.393	C	S	.	.			trans	-111	140.9	178.8	53.8	165.8	0	0	0	110.8	I26 I31 I50 V81 K85 M87	I26-I52 HydrophobicContact CB-CD1 4.26Å; I26-I52 HydrophobicContact CG1-CD1 4.41Å; I26-I52 HydrophobicContact CG2-CD1 4.2Å; I31-I52 HydrophobicContact CD1-CD1 3.97Å; I31-I52 HydrophobicContact CD1-CG1 4.13Å; I31-I52 HydrophobicContact CG1-CD1 3.85Å; I31-I52 HydrophobicContact CG1-CG1 4.31Å; I50-I52 HydrophobicContact CG2-CG1 4.32Å; I50-I52 VanDerWaalsContact CG2-O 3.24Å; I50-I52 WeakPolarHBondContact CG2-O 3.48Å; I52-V81 HydrophobicContact CD1-CG2 4.05Å; I52-V81 HydrophobicContact CG2-CG2 3.94Å; I52-K85 HydrophobicContact CG2-CG 4.42Å; I52-M87 HydrophobicContact CD1-CB 4.07Å; I52-M87 HydrophobicContact CD1-CG 4.11Å; I52-M87 HydrophobicContact CD1-SD 4.24Å; I52-M87 HydrophobicContact CG1-CB 4.25Å; I52-M87 HydrophobicContact CG2-CB 4.37Å; I52-M87 HydrophobicContact CG2-CG 4.13Å
53	F	97.2	Very high	95.4	Very high	151 Å²	151	86.2 Å²	86.2	66%	0.662	43%	0.434	S	S	*	.			trans	-127.5	131.7	-179.3	-177.9	-99.4	0	0	0	110.2	H55 S79	F53-H55 VanDerWaalsContact C-N 3.25Å; F53-H55 HydrophobicContact CD1-CB 3.91Å; F53-H55 HydrophobicContact CE1-CB 4.27Å; F53-H55 PolarHBondContact O-N 3.41Å; F53-H55 PolarHBondContact O-ND1 2.88Å; F53-S79 WeakPolarHBondContact O-CB 3.33Å
54	P	96.7	Very high	95.2	Very high	24 Å²	24	81.4 Å²	81.4	16%	0.156	44%	0.437	C	S	.	.			trans	-76.9	73	-176.7	33.7	-36.2	0	0	0	111.3	N28 I31 W77 V78	N28-P54 HydrophobicContact CB-CB 4.19Å; N28-P54 HydrophobicContact CB-CG 3.95Å; I31-P54 HydrophobicContact CD1-CB 4.33Å; I31-P54 HydrophobicContact CD1-CG 4.34Å; P54-W77 HydrophobicContact CB-CB 4.01Å; P54-W77 WeakPolarHBondContact O-CB 3.32Å; P54-V78 CarbonylContact C-O 3.46Å; P54-V78 WeakPolarHBondContact CA-O 3.26Å
55	H	96.7	Very high	95.3	Very high	116 Å²	116	74.1 Å²	74.1	54%	0.537	42%	0.418	S	S	.	.			trans	-86.4	-14.3	-176.5	58.1	-79.4	0	0	0	114.2	F53 W77 V78	F53-H55 VanDerWaalsContact C-N 3.25Å; F53-H55 HydrophobicContact CD1-CB 3.91Å; F53-H55 HydrophobicContact CE1-CB 4.27Å; F53-H55 PolarHBondContact O-N 3.41Å; F53-H55 PolarHBondContact O-ND1 2.88Å; H55-W77 WeakPolarHBondContact O-CZ3 3.44Å; H55-V78 PolarHBondContact N-O 2.65Å
56	K	96.6	Very high	95.4	Very high	86 Å²	86	83.5 Å²	83.5	37%	0.374	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	113.4	-175.2	-175.3	-177.4	-178.9	-174.7	0	110.3	W25 W77 V78 P80	W25-K56 HydrophobicContact CZ2-CD 4.48Å; K56-W77 WeakPolarHBondContact O-CA 3.41Å; K56-V78 HydrophobicContact CB-CG2 4.1Å; K56-V78 WeakPolarHBondContact CB-O 3.2Å; K56-V78 HydrophobicContact CD-CG2 4.39Å; K56-V78 HydrophobicContact CG-CG2 4.37Å; K56-V78 PolarHBondContact N-O 3.26Å; K56-V78 WeakPolarHBondContact O-CG2 3.46Å; K56-V78 PolarHBondContact O-N 3.46Å; K56-P80 HydrophobicContact CB-CG 4.05Å; K56-P80 HydrophobicContact CD-CG 3.76Å
57	S	96.6	Very high	95.4	Very high	50 Å²	50	90.1 Å²	90.1	35%	0.35	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	141.8	169.9	62	0	0	0	0	111.3	G76	S57-G76 CarbonylContact C-O 3.52Å; S57-G76 VanDerWaalsContact CA-O 3.31Å; S57-G76 WeakPolarHBondContact CA-O 3.37Å
58	Y	94.9	Very high	95.1	Very high	81 Å²	81	85.5 Å²	85.5	32%	0.318	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	153.2	165.2	68.8	-86.7	0	0	0	110.2	P74 E75 G76 V78	Y58-P74 CarbonylContact O-C 3.55Å; Y58-P74 WeakPolarHBondContact O-CA 3.49Å; Y58-E75 HydrophobicContact CD2-CB 4.01Å; Y58-E75 HydrophobicContact CD2-CG 4.46Å; Y58-E75 HydrophobicContact CE2-CB 3.62Å; Y58-E75 HydrophobicContact CE2-CG 3.63Å; Y58-E75 PolarHBondContact O-N 3Å; Y58-G76 VanDerWaalsContact CD1-C 3.47Å; Y58-G76 VanDerWaalsContact CD1-O 3.26Å; Y58-G76 WeakPolarHBondContact CD1-O 3.42Å; Y58-G76 PolarHBondContact N-O 3.34Å; Y58-G76 PolarHBondContact O-N 2.96Å; Y58-V78 HydrophobicContact CD1-CG1 3.74Å; Y58-V78 HydrophobicContact CD1-CG2 4.39Å; Y58-V78 HydrophobicContact CE1-CG1 3.8Å
59	T	96.1	Very high	94.7	Very high	45 Å²	45	90.3 Å²	90.3	28%	0.276	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	146.6	-175.6	57.8	0	0	0	0	110.9	K71 G72 A73	T59-K71 HydrophobicContact CG2-CD 4.08Å; T59-K71 VanDerWaalsContact CG2-CE 3.45Å; T59-K71 HydrophobicContact CG2-CG 4.18Å; T59-K71 WeakPolarHBondContact OG1-CE 3.11Å; T59-G72 WeakPolarHBondContact CB-O 3.43Å; T59-G72 WeakPolarHBondContact CG2-O 3.36Å; T59-A73 WeakPolarHBondContact CA-O 3.46Å; T59-A73 WeakPolarHBondContact CB-O 3.37Å
60	A	94.1	Very high	94.3	Very high	38 Å²	38	89.4 Å²	89.4	31%	0.314	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	150	172.5	0	0	0	0	0	110.5	G72 A73 E75	A60-G72 WeakPolarHBondContact O-CA 3.42Å; A60-A73 PolarHBondContact N-O 3.4Å; A60-E75 HydrophobicContact CB-CB 3.86Å; A60-E75 HydrophobicContact CB-CG 3.94Å
61	K	93.8	Very high	94.1	Very high	83 Å²	83	93.9 Å²	93.9	36%	0.361	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-89.5	150.6	166.4	-69.3	-171	177.3	-174.5	0	108.8	V65 G68 G70	K61-V65 HydrophobicContact CB-CG2 3.86Å; K61-V65 HydrophobicContact CD-CG2 4.16Å; K61-G68 PolarHBondContact NZ-O 3.24Å; K61-G70 WeakPolarHBondContact CE-O 3.19Å; K61-G70 PolarHBondContact NZ-O 3.28Å
62	A	92.1	Very high	93.8	Very high	73 Å²	73	92.2 Å²	92.2	60%	0.603	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-57.2	146.1	174.6	0	0	0	0	0	110.9	G64 V65	A62-G64 PolarHBondContact O-N 3.02Å; A62-V65 HydrophobicContact CB-CG1 4.02Å; A62-V65 WeakPolarHBondContact O-CG2 3.23Å
63	I	92.8	Very high	93.6	Very high	180 Å²	180	95.2 Å²	95.2	92%	0.923	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	132.5	178.5	-60	174.2	0	0	0	108.8
64	G	92.8	Very high	93.5	Very high	83 Å²	83	92.5 Å²	92.5	86%	0.856	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.6	2.3	175.6	0	0	0	0	0	116.6	A62	A62-G64 PolarHBondContact O-N 3.02Å
65	V	92.4	Very high	93.4	Very high	83 Å²	83	97.4 Å²	97.4	50%	0.503	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-84.1	148	177.2	-53.7	0	0	0	0	112.5	K61 A62	K61-V65 HydrophobicContact CB-CG2 3.86Å; K61-V65 HydrophobicContact CD-CG2 4.16Å; A62-V65 HydrophobicContact CB-CG1 4.02Å; A62-V65 WeakPolarHBondContact O-CG2 3.23Å
66	R	93.5	Very high	93.3	Very high	231 Å²	231	92.4 Å²	92.4	87%	0.872	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-67.7	158.3	171.7	-66.9	-177.1	179.7	173.6	-0.1	111
67	M	93.5	Very high	93.4	Very high	179 Å²	179	94.6 Å²	94.6	88%	0.882	55%	0.552	S	S	*	*	S	Bend	trans	-63.7	145.4	169.7	-63.1	-60.8	-77.1	0	0	110.2
68	G	90.2	Very high	93.4	Very high	41 Å²	41	92.4 Å²	92.4	42%	0.423	54%	0.536	S	S	.	.			trans	119.9	-171.8	-172.1	0	0	0	0	0	114.3	K61 G70	K61-G68 PolarHBondContact NZ-O 3.24Å; G68-G70 VanDerWaalsContact C-N 3.29Å; G68-G70 PolarHBondContact O-N 3.4Å
69	S	88.3	Confident	93.5	Very high	143 Å²	143	88.8 Å²	88.8	100%	1	52%	0.523	S	S	*	.	S	Bend	trans	61.2	21.6	175.5	-48.4	0	0	0	0	117.2
70	G	91.2	Very high	93.5	Very high	53 Å²	53	88.3 Å²	88.3	55%	0.546	52%	0.521	S	S	.	.	S	Bend	trans	84.7	-163.1	176.3	0	0	0	0	0	114.8	K61 G68	K61-G70 WeakPolarHBondContact CE-O 3.19Å; K61-G70 PolarHBondContact NZ-O 3.28Å; G68-G70 VanDerWaalsContact C-N 3.29Å; G68-G70 PolarHBondContact O-N 3.4Å
71	K	92.5	Very high	93.7	Very high	167 Å²	167	86.5 Å²	86.5	73%	0.726	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-83.3	145.3	179.6	-168.1	-178.8	-174.5	-170.8	0	109.7	T59	T59-K71 HydrophobicContact CG2-CD 4.08Å; T59-K71 VanDerWaalsContact CG2-CE 3.45Å; T59-K71 HydrophobicContact CG2-CG 4.18Å; T59-K71 WeakPolarHBondContact OG1-CE 3.11Å
72	G	92	Very high	93.8	Very high	21 Å²	21	85.9 Å²	85.9	22%	0.216	50%	0.503	C	S	.	.	P	Polyproline II helix	trans	-69.7	171.8	175.3	0	0	0	0	0	113.4	T59 A60	T59-G72 WeakPolarHBondContact CB-O 3.43Å; T59-G72 WeakPolarHBondContact CG2-O 3.36Å; A60-G72 WeakPolarHBondContact O-CA 3.42Å
73	A	92.8	Very high	94	Very high	72 Å²	72	88.7 Å²	88.7	60%	0.595	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	156.4	174.9	0	0	0	0	0	111.5	T59 A60 E75	T59-A73 WeakPolarHBondContact CA-O 3.46Å; T59-A73 WeakPolarHBondContact CB-O 3.37Å; A60-A73 PolarHBondContact N-O 3.4Å; A73-E75 PolarHBondContact O-N 3.31Å
74	P	94	Very high	94.2	Very high	94 Å²	94	80.6 Å²	80.6	61%	0.61	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.5	119.1	169.6	-23.6	34.8	0	0	0	111.3	Y58	Y58-P74 CarbonylContact O-C 3.55Å; Y58-P74 WeakPolarHBondContact O-CA 3.49Å
75	E	94.7	Very high	94.4	Very high	126 Å²	126	79.7 Å²	79.7	59%	0.589	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	-30.6	-178.6	-178.3	67.3	-157.8	0	0	111.2	Y58 A60 A73	Y58-E75 HydrophobicContact CD2-CB 4.01Å; Y58-E75 HydrophobicContact CD2-CG 4.46Å; Y58-E75 HydrophobicContact CE2-CB 3.62Å; Y58-E75 HydrophobicContact CE2-CG 3.63Å; Y58-E75 PolarHBondContact O-N 3Å; A60-E75 HydrophobicContact CB-CB 3.86Å; A60-E75 HydrophobicContact CB-CG 3.94Å; A73-E75 PolarHBondContact O-N 3.31Å
76	G	94.9	Very high	94.6	Very high	12 Å²	12	75.8 Å²	75.8	12%	0.124	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	180	-172.1	-178.8	0	0	0	0	0	113.5	S57 Y58	S57-G76 CarbonylContact C-O 3.52Å; S57-G76 VanDerWaalsContact CA-O 3.31Å; S57-G76 WeakPolarHBondContact CA-O 3.37Å; Y58-G76 VanDerWaalsContact CD1-C 3.47Å; Y58-G76 VanDerWaalsContact CD1-O 3.26Å; Y58-G76 WeakPolarHBondContact CD1-O 3.42Å; Y58-G76 PolarHBondContact N-O 3.34Å; Y58-G76 PolarHBondContact O-N 2.96Å
77	W	97.2	Very high	94.8	Very high	131 Å²	131	64.8 Å²	64.8	50%	0.496	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	137	-174	-61.5	84.8	0	0	0	111.4	N28 P54 H55 K56	N28-W77 PolarHBondContact N-O 3.3Å; P54-W77 HydrophobicContact CB-CB 4.01Å; P54-W77 WeakPolarHBondContact O-CB 3.32Å; H55-W77 WeakPolarHBondContact O-CZ3 3.44Å; K56-W77 WeakPolarHBondContact O-CA 3.41Å
78	V	97.4	Very high	95.1	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.024	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	151.2	178.8	-66.2	0	0	0	0	111.2	W25 I26 T27 P54 H55 K56 Y58	W25-V78 HydrophobicContact CB-CB 4.09Å; W25-V78 HydrophobicContact CB-CG1 4.2Å; W25-V78 HydrophobicContact CB-CG2 4.32Å; W25-V78 HydrophobicContact CD2-CG2 3.88Å; W25-V78 HydrophobicContact CE3-CG1 4.43Å; W25-V78 HydrophobicContact CE3-CG2 3.83Å; W25-V78 HydrophobicContact CG-CB 4.41Å; W25-V78 HydrophobicContact CG-CG2 4.1Å; I26-V78 CarbonylContact O-C 3.53Å; I26-V78 VanDerWaalsContact O-CA 3.3Å; I26-V78 WeakPolarHBondContact O-CA 3.25Å; T27-V78 HydrophobicContact CG2-CG1 4.05Å; P54-V78 CarbonylContact C-O 3.46Å; P54-V78 WeakPolarHBondContact CA-O 3.26Å; H55-V78 PolarHBondContact N-O 2.65Å; K56-V78 HydrophobicContact CB-CG2 4.1Å; K56-V78 WeakPolarHBondContact CB-O 3.2Å; K56-V78 HydrophobicContact CD-CG2 4.39Å; K56-V78 HydrophobicContact CG-CG2 4.37Å; K56-V78 PolarHBondContact N-O 3.26Å; K56-V78 WeakPolarHBondContact O-CG2 3.46Å; K56-V78 PolarHBondContact O-N 3.46Å; Y58-V78 HydrophobicContact CD1-CG1 3.74Å; Y58-V78 HydrophobicContact CD1-CG2 4.39Å; Y58-V78 HydrophobicContact CE1-CG1 3.8Å
79	S	97.4	Very high	95.4	Very high	5 Å²	5	54.3 Å²	54.3	4%	0.035	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	115.8	163	-179.1	0	0	0	0	108.7	I26 F53 V81	I26-S79 PolarHBondContact N-O 3.08Å; I26-S79 PolarHBondContact O-N 3.09Å; F53-S79 WeakPolarHBondContact O-CB 3.33Å; S79-V81 PolarHBondContact O-N 2.73Å; S79-V81 VanDerWaalsContact O-N 3.16Å
80	P	96.8	Very high	95.8	Very high	36 Å²	36	47.5 Å²	47.5	23%	0.234	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	105.8	170.5	-18.2	33.2	0	0	0	110.2	M1 K56	M1-P80 HydrophobicContact CE-CB 3.44Å; M1-P80 VanDerWaalsContact CE-CB 3.44Å; M1-P80 HydrophobicContact SD-CB 3.6Å; M1-P80 VanDerWaalsContact SD-CB 3.6Å; K56-P80 HydrophobicContact CB-CG 4.05Å; K56-P80 HydrophobicContact CD-CG 3.76Å
81	V	97.3	Very high	96.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127.8	178.7	-178	0	0	0	0	110	A20 S23 H24 I26 I52 S79 K85 M87 M111	A20-V81 HydrophobicContact CB-CG1 3.7Å; S23-V81 CarbonylContact C-O 3.55Å; S23-V81 VanDerWaalsContact CA-O 3.3Å; S23-V81 WeakPolarHBondContact CA-O 3.44Å; S23-V81 WeakPolarHBondContact CB-O 3.48Å; H24-V81 PolarHBondContact N-O 3.5Å; H24-V81 PolarHBondContact O-N 3.45Å; I26-V81 HydrophobicContact CB-CG2 4.4Å; I26-V81 HydrophobicContact CG1-CB 4.21Å; I26-V81 HydrophobicContact CG1-CG2 3.63Å; I52-V81 HydrophobicContact CD1-CG2 4.05Å; I52-V81 HydrophobicContact CG2-CG2 3.94Å; S79-V81 PolarHBondContact O-N 2.73Å; S79-V81 VanDerWaalsContact O-N 3.16Å; V81-K85 HydrophobicContact CG1-CB 3.98Å; V81-K85 HydrophobicContact CG1-CG 4.38Å; V81-M87 HydrophobicContact CG1-CG 4.03Å; V81-M87 HydrophobicContact CG1-SD 3.91Å; V81-M87 HydrophobicContact CG2-SD 4.31Å; V81-M111 HydrophobicContact CB-SD 4.49Å; V81-M111 HydrophobicContact CG1-CE 4.02Å; V81-M111 HydrophobicContact CG1-SD 4.2Å
82	K	96.8	Very high	96.2	Very high	69 Å²	69	40.2 Å²	40.2	30%	0.3	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-99.9	156.9	172.6	-69.1	-168.8	-179.2	-160.9	0	110.4	M1 R2 E4 A5 S23 K85	M1-K82 HydrophobicContact CE-CD 4.47Å; M1-K82 HydrophobicContact CE-CG 3.48Å; M1-K82 VanDerWaalsContact CE-CG 3.48Å; R2-K82 PolarHBondContact O-NZ 3.02Å; R2-K82 VanDerWaalsContact O-NZ 3.09Å; E4-K82 WeakPolarHBondContact O-CD 3.48Å; A5-K82 HydrophobicContact CB-CB 4.06Å; S23-K82 WeakPolarHBondContact OG-CA 3.32Å; K82-K85 WeakPolarHBondContact O-CB 3.33Å; K82-K85 PolarHBondContact O-N 3.35Å
83	R	96.6	Very high	96.4	Very high	133 Å²	133	40.1 Å²	40.1	50%	0.502	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-54.6	145.1	173.9	74.3	175.8	159.6	166.9	-5	111.3	E4 A5 V21 D22 S23 K85	E4-R83 HydrophobicContact CB-CG 4.23Å; E4-R83 HydrophobicContact CG-CG 3.97Å; E4-R83 WeakPolarHBondContact CG-O 3.48Å; A5-R83 WeakPolarHBondContact CB-O 3.5Å; A5-R83 PolarHBondContact N-O 3.42Å; V21-R83 WeakPolarHBondContact O-CB 3.3Å; D22-R83 WeakPolarHBondContact O-CA 3.46Å; D22-R83 PolarHBondContact O-N 3.21Å; S23-R83 PolarHBondContact OG-N 2.98Å; R83-K85 VanDerWaalsContact C-N 3.28Å; R83-K85 PolarHBondContact O-N 3.37Å
84	G	95.8	Very high	96.6	Very high	9 Å²	9	41.1 Å²	41.1	9%	0.093	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	-10.1	-177.1	0	0	0	0	0	114.8	K9 Q19 A20	K9-G84 WeakPolarHBondContact CA-O 3.45Å; Q19-G84 PolarHBondContact NE2-O 2.96Å; A20-G84 PolarHBondContact O-N 2.9Å
85	K	96.9	Very high	96.6	Very high	64 Å²	64	39 Å²	39	28%	0.278	20%	0.204	S	C	.	.			trans	-71.8	132.5	179.3	-167.8	96.1	-173.8	172.9	0	110.9	A5 G7 Q19 A20 I52 V81 K82 R83	A5-K85 HydrophobicContact CB-CB 4.07Å; A5-K85 HydrophobicContact CB-CD 4.17Å; G7-K85 WeakPolarHBondContact O-CD 3.2Å; G7-K85 PolarHBondContact O-NZ 3.45Å; Q19-K85 WeakPolarHBondContact CA-O 3.46Å; A20-K85 PolarHBondContact N-O 2.91Å; I52-K85 HydrophobicContact CG2-CG 4.42Å; V81-K85 HydrophobicContact CG1-CB 3.98Å; V81-K85 HydrophobicContact CG1-CG 4.38Å; K82-K85 WeakPolarHBondContact O-CB 3.33Å; K82-K85 PolarHBondContact O-N 3.35Å; R83-K85 VanDerWaalsContact C-N 3.28Å; R83-K85 PolarHBondContact O-N 3.37Å
86	I	97.6	Very high	96.7	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	124.9	165.6	-54.3	-57.8	0	0	0	108.9	G8 K9 Q19 K51 F88 E89 V116	G8-I86 PolarHBondContact O-N 3.49Å; K9-I86 WeakPolarHBondContact O-CG1 3.36Å; Q19-I86 HydrophobicContact CB-CD1 3.62Å; Q19-I86 HydrophobicContact CG-CD1 3.84Å; K51-I86 VanDerWaalsContact CB-O 3.23Å; K51-I86 WeakPolarHBondContact CB-O 3.14Å; K51-I86 HydrophobicContact CG-CG2 4.34Å; I86-F88 WeakPolarHBondContact CG2-O 3.45Å; I86-E89 HydrophobicContact CG2-CG 3.7Å; I86-V116 HydrophobicContact CD1-CG2 3.63Å
87	M	97.7	Very high	96.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-37.6	-176.9	-64.9	-175.4	-75.6	0	0	113.1	L18 A20 K51 I52 V81 L109 M111 T113	L18-M87 HydrophobicContact CD2-CE 4.43Å; L18-M87 HydrophobicContact CG-CE 4.4Å; L18-M87 PolarHBondContact O-N 2.89Å; A20-M87 HydrophobicContact CB-CE 4.2Å; A20-M87 HydrophobicContact CB-SD 4.49Å; K51-M87 WeakPolarHBondContact CB-O 3.33Å; K51-M87 PolarHBondContact N-O 2.94Å; I52-M87 HydrophobicContact CD1-CB 4.07Å; I52-M87 HydrophobicContact CD1-CG 4.11Å; I52-M87 HydrophobicContact CD1-SD 4.24Å; I52-M87 HydrophobicContact CG1-CB 4.25Å; I52-M87 HydrophobicContact CG2-CB 4.37Å; I52-M87 HydrophobicContact CG2-CG 4.13Å; V81-M87 HydrophobicContact CG1-CG 4.03Å; V81-M87 HydrophobicContact CG1-SD 3.91Å; V81-M87 HydrophobicContact CG2-SD 4.31Å; M87-L109 HydrophobicContact CE-CD1 3.54Å; M87-L109 HydrophobicContact SD-CD1 4.09Å; M87-M111 HydrophobicContact CE-CG 4.37Å; M87-M111 HydrophobicContact CE-SD 3.77Å; M87-M111 HydrophobicContact SD-SD 3.56Å; M87-T113 HydrophobicContact CE-CG2 3.42Å; M87-T113 VanDerWaalsContact CE-CG2 3.42Å
88	F	98.2	Very high	96.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	146.6	179.8	-58.9	-81.2	0	0	0	109	G17 L18 I31 A34 M38 W49 I50 I86 L109	G17-F88 CarbonylContact C-O 3.5Å; G17-F88 WeakPolarHBondContact CA-O 3.37Å; L18-F88 HydrophobicContact CB-CB 4.37Å; L18-F88 HydrophobicContact CB-CD2 4.46Å; L18-F88 HydrophobicContact CD2-CD2 4.11Å; L18-F88 PolarHBondContact N-O 3.41Å; I31-F88 HydrophobicContact CG2-CE1 4.21Å; I31-F88 HydrophobicContact CG2-CZ 4.29Å; A34-F88 HydrophobicContact CB-CE1 4.33Å; A34-F88 HydrophobicContact CB-CE2 3.86Å; A34-F88 HydrophobicContact CB-CZ 3.61Å; M38-F88 HydrophobicContact CE-CB 3.84Å; M38-F88 HydrophobicContact CE-CD1 3.39Å; M38-F88 HydrophobicContact CE-CD2 4.35Å; M38-F88 HydrophobicContact CE-CE1 3.98Å; M38-F88 HydrophobicContact CE-CG 3.59Å; M38-F88 HydrophobicContact SD-CB 4.09Å; M38-F88 HydrophobicContact SD-CG 4.35Å; W49-F88 WeakPolarHBondContact O-CA 3.4Å; I50-F88 HydrophobicContact CB-CD1 4.46Å; I50-F88 HydrophobicContact CB-CE1 4.44Å; I50-F88 HydrophobicContact CG1-CD1 4.2Å; I50-F88 HydrophobicContact CG1-CE1 4.13Å; I50-F88 HydrophobicContact CG2-CD1 4.3Å; I50-F88 HydrophobicContact CG2-CE1 3.93Å; I86-F88 WeakPolarHBondContact CG2-O 3.45Å; F88-L109 HydrophobicContact CE2-CD1 3.99Å; F88-L109 HydrophobicContact CE2-CD2 4.26Å
89	E	97.7	Very high	96.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	148.1	171.1	-56.4	174.8	-160	0	0	108.9	I11 A12 F13 G14 Y16 V48 W49 K51 I86	I11-E89 HydrophobicContact CG2-CB 4.47Å; I11-E89 HydrophobicContact CG2-CG 4.08Å; A12-E89 PolarHBondContact N-OE1 2.84Å; A12-E89 VanDerWaalsContact N-OE1 3.12Å; A12-E89 PolarHBondContact N-OE2 2.86Å; F13-E89 WeakPolarHBondContact CA-OE2 3.46Å; F13-E89 WeakPolarHBondContact CB-OE2 3.43Å; F13-E89 PolarHBondContact N-OE2 2.99Å; G14-E89 PolarHBondContact N-OE2 3.04Å; Y16-E89 CarbonylContact O-C 3.51Å; Y16-E89 VanDerWaalsContact O-CA 3.26Å; Y16-E89 WeakPolarHBondContact O-CA 3.28Å; V48-E89 CarbonylContact C-O 3.57Å; V48-E89 WeakPolarHBondContact CA-O 3.35Å; W49-E89 HydrophobicContact CB-CB 4.21Å; W49-E89 HydrophobicContact CE3-CB 4.31Å; W49-E89 PolarHBondContact N-O 3.39Å; W49-E89 PolarHBondContact O-N 2.99Å; K51-E89 HydrophobicContact CD-CG 4.16Å; K51-E89 WeakPolarHBondContact CD-OE1 3.24Å; K51-E89 WeakPolarHBondContact CE-OE1 3.09Å; K51-E89 HydrophobicContact CG-CG 3.79Å; K51-E89 WeakPolarHBondContact CG-OE1 3.49Å; K51-E89 IonicContact NZ-OE1 2.73Å; K51-E89 PolarHBondContact NZ-OE1 2.89Å; I86-E89 HydrophobicContact CG2-CG 3.7Å
90	I	97.1	Very high	96.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	151	176.4	61.5	174.7	0	0	0	110.8	G14 E15 Y16 M38 M42 K47 V48 A98 L102	G14-I90 WeakPolarHBondContact CA-O 3.45Å; E15-I90 PolarHBondContact N-O 2.89Å; Y16-I90 PolarHBondContact N-O 2.85Å; Y16-I90 VanDerWaalsContact N-O 3.09Å; Y16-I90 PolarHBondContact O-N 3.47Å; M38-I90 HydrophobicContact SD-CG2 4.11Å; M42-I90 HydrophobicContact CE-CB 4.3Å; M42-I90 HydrophobicContact CE-CG2 4.39Å; M42-I90 HydrophobicContact SD-CB 4.49Å; M42-I90 HydrophobicContact SD-CD1 4.43Å; M42-I90 HydrophobicContact SD-CG2 4.13Å; K47-I90 VanDerWaalsContact O-CA 3.25Å; K47-I90 WeakPolarHBondContact O-CA 3.47Å; V48-I90 HydrophobicContact CB-CG2 4.41Å; V48-I90 HydrophobicContact CG1-CG2 4.28Å; V48-I90 HydrophobicContact CG2-CG2 3.98Å; I90-A98 HydrophobicContact CD1-CB 3.42Å; I90-A98 VanDerWaalsContact CD1-CB 3.42Å; I90-A98 WeakPolarHBondContact CD1-O 3.26Å; I90-A98 HydrophobicContact CG1-CB 4.21Å; I90-L102 HydrophobicContact CD1-CD1 3.74Å; I90-L102 HydrophobicContact CD1-CD2 4.07Å; I90-L102 HydrophobicContact CD1-CG 3.61Å; I90-L102 HydrophobicContact CG1-CD1 4.04Å; I90-L102 HydrophobicContact CG1-CD2 4.28Å; I90-L102 HydrophobicContact CG1-CG 4.22Å; I90-L102 HydrophobicContact CG2-CD2 4.29Å
91	A	96.7	Very high	96.8	Very high	11 Å²	11	40.8 Å²	40.8	9%	0.091	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	165	173.8	0	0	0	0	0	111.3	E15 G46 K47 W49	E15-A91 HydrophobicContact CB-CB 4.37Å; E15-A91 HydrophobicContact CG-CB 3.89Å; E15-A91 VanDerWaalsContact OE2-CA 3.3Å; E15-A91 WeakPolarHBondContact OE2-CA 3.31Å; G46-A91 CarbonylContact C-O 3.53Å; G46-A91 WeakPolarHBondContact CA-O 3.41Å; K47-A91 PolarHBondContact N-O 3.43Å; K47-A91 PolarHBondContact O-N 2.86Å; K47-A91 VanDerWaalsContact O-N 3.08Å; W49-A91 HydrophobicContact CH2-CB 3.94Å; W49-A91 HydrophobicContact CZ3-CB 3.67Å
92	G	95.7	Very high	96.9	Very high	55 Å²	55	40.8 Å²	40.8	57%	0.567	21%	0.209	S	C	*	.	S	Bend	trans	76.8	28	173.6	0	0	0	0	0	113.5	E15 G46	E15-G92 PolarHBondContact OE2-N 3Å; G46-G92 WeakPolarHBondContact CA-O 3.3Å
93	V	95.8	Very high	96.9	Very high	20 Å²	20	42.6 Å²	42.6	12%	0.121	21%	0.214	C	C	.	.	S	Bend	trans	-138.7	152.9	169.2	-69	0	0	0	0	109.4	M42 V97 A98	M42-V93 HydrophobicContact CB-CG1 4.33Å; M42-V93 HydrophobicContact CE-CG1 3.79Å; M42-V93 HydrophobicContact CE-CG2 3.92Å; M42-V93 HydrophobicContact CG-CG1 4.32Å; M42-V93 HydrophobicContact CG-CG2 4.48Å; V93-V97 HydrophobicContact CB-CB 4.27Å; V93-V97 HydrophobicContact CB-CG1 4.1Å; V93-V97 HydrophobicContact CG1-CG1 4.43Å; V93-V97 HydrophobicContact CG2-CG1 4.34Å; V93-A98 HydrophobicContact CG2-CB 3.98Å
94	P	96	Very high	97	Very high	92 Å²	92	38.7 Å²	38.7	60%	0.597	20%	0.203	S	C	*	.			trans	-55.6	150.3	175.5	-25.1	34.2	0	0	0	112.8	E96 V97 A98	P94-E96 VanDerWaalsContact C-N 3.29Å; P94-E96 PolarHBondContact O-N 3.08Å; P94-V97 HydrophobicContact CB-CG2 4.31Å; P94-V97 HydrophobicContact CG-CG2 4.37Å; P94-V97 WeakPolarHBondContact O-CA 3.2Å; P94-V97 WeakPolarHBondContact O-CB 3.35Å; P94-V97 PolarHBondContact O-N 3.45Å; P94-A98 PolarHBondContact O-N 2.96Å
95	E	95.5	Very high	97.1	Very high	49 Å²	49	38.3 Å²	38.3	23%	0.229	20%	0.198	C	C	.	.	H	α-helix	trans	-52.2	-44.5	-177.4	-175.5	148.9	172.8	0	0	113.2	Y16 V97 A98 R99 K117	Y16-E95 HydrophobicContact CE1-CB 4.25Å; Y16-E95 HydrophobicContact CE1-CG 3.6Å; Y16-E95 WeakPolarHBondContact OH-CA 3.38Å; Y16-E95 WeakPolarHBondContact OH-CB 3.14Å; Y16-E95 WeakPolarHBondContact OH-CG 3.43Å; Y16-E95 PolarHBondContact OH-OE2 3.19Å; E95-V97 VanDerWaalsContact C-N 3.29Å; E95-V97 PolarHBondContact O-N 2.6Å; E95-A98 WeakPolarHBondContact O-CB 2.74Å; E95-A98 PolarHBondContact O-N 3.19Å; E95-A98 VanDerWaalsContact O-N 3.17Å; E95-R99 HydrophobicContact CG-CG 4.24Å; E95-R99 WeakPolarHBondContact O-CB 3.35Å; E95-R99 WeakPolarHBondContact O-CG 3.38Å; E95-R99 PolarHBondContact O-N 3.15Å; E95-R99 IonicContact OE1-CZ 3.28Å; E95-R99 IonicContact OE1-NE 2.66Å; E95-R99 PolarHBondContact OE1-NE 3.27Å; E95-R99 IonicContact OE1-NH2 3.6Å; E95-R99 PolarHBondContact OE1-NH2 3.31Å; E95-K117 IonicContact OE2-NZ 2.81Å; E95-K117 PolarHBondContact OE2-NZ 3.03Å
96	E	96.4	Very high	97.1	Very high	138 Å²	138	36.3 Å²	36.3	65%	0.645	19%	0.192	S	C	*	.	H	α-helix	trans	-60.7	-40.9	178.8	-63.1	-53.5	137	0	0	111.8	P94 E100	P94-E96 VanDerWaalsContact C-N 3.29Å; P94-E96 PolarHBondContact O-N 3.08Å; E96-E100 WeakPolarHBondContact O-CB 3.46Å; E96-E100 PolarHBondContact O-N 3.26Å; E96-E100 VanDerWaalsContact O-N 3.14Å
97	V	96.9	Very high	97.1	Very high	41 Å²	41	42 Å²	42	25%	0.248	22%	0.219	C	C	.	.	H	α-helix	trans	-68.5	-41.3	176.8	178.7	0	0	0	0	110.3	Y41 M42 V93 P94 E95 A101	Y41-V97 HydrophobicContact CD1-CG1 4.18Å; Y41-V97 HydrophobicContact CE1-CG1 4.05Å; M42-V97 HydrophobicContact CG-CG1 4.15Å; V93-V97 HydrophobicContact CB-CB 4.27Å; V93-V97 HydrophobicContact CB-CG1 4.1Å; V93-V97 HydrophobicContact CG1-CG1 4.43Å; V93-V97 HydrophobicContact CG2-CG1 4.34Å; P94-V97 HydrophobicContact CB-CG2 4.31Å; P94-V97 HydrophobicContact CG-CG2 4.37Å; P94-V97 WeakPolarHBondContact O-CA 3.2Å; P94-V97 WeakPolarHBondContact O-CB 3.35Å; P94-V97 PolarHBondContact O-N 3.45Å; E95-V97 VanDerWaalsContact C-N 3.29Å; E95-V97 PolarHBondContact O-N 2.6Å; V97-A101 VanDerWaalsContact O-CB 3.24Å; V97-A101 WeakPolarHBondContact O-CB 3.48Å; V97-A101 PolarHBondContact O-N 2.77Å
98	A	97.1	Very high	97.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.8	-50.6	178.5	0	0	0	0	0	112.1	Y16 I90 V93 P94 E95 E100 A101 L102	Y16-A98 HydrophobicContact CD1-CB 4.45Å; Y16-A98 HydrophobicContact CD2-CB 3.43Å; Y16-A98 VanDerWaalsContact CD2-CB 3.43Å; Y16-A98 HydrophobicContact CE2-CB 3.81Å; Y16-A98 HydrophobicContact CG-CB 3.8Å; I90-A98 HydrophobicContact CD1-CB 3.42Å; I90-A98 VanDerWaalsContact CD1-CB 3.42Å; I90-A98 WeakPolarHBondContact CD1-O 3.26Å; I90-A98 HydrophobicContact CG1-CB 4.21Å; V93-A98 HydrophobicContact CG2-CB 3.98Å; P94-A98 PolarHBondContact O-N 2.96Å; E95-A98 WeakPolarHBondContact O-CB 2.74Å; E95-A98 PolarHBondContact O-N 3.19Å; E95-A98 VanDerWaalsContact O-N 3.17Å; A98-E100 VanDerWaalsContact C-N 3.35Å; A98-E100 PolarHBondContact O-N 2.91Å; A98-A101 PolarHBondContact O-N 2.83Å; A98-L102 WeakPolarHBondContact O-CB 3.34Å; A98-L102 VanDerWaalsContact O-CG 3.29Å; A98-L102 WeakPolarHBondContact O-CG 3.33Å; A98-L102 PolarHBondContact O-N 3.19Å
99	R	96.7	Very high	97.1	Very high	122 Å²	122	47.9 Å²	47.9	46%	0.46	25%	0.245	S	C	.	.	H	α-helix	trans	-60.3	-45.3	179.6	-74.5	-177.6	174.1	-164	-0.7	111.4	E95 L102 R103 I115	E95-R99 HydrophobicContact CG-CG 4.24Å; E95-R99 WeakPolarHBondContact O-CB 3.35Å; E95-R99 WeakPolarHBondContact O-CG 3.38Å; E95-R99 PolarHBondContact O-N 3.15Å; E95-R99 IonicContact OE1-CZ 3.28Å; E95-R99 IonicContact OE1-NE 2.66Å; E95-R99 PolarHBondContact OE1-NE 3.27Å; E95-R99 IonicContact OE1-NH2 3.6Å; E95-R99 PolarHBondContact OE1-NH2 3.31Å; R99-L102 PolarHBondContact O-N 2.81Å; R99-R103 WeakPolarHBondContact O-CB 3.28Å; R99-R103 PolarHBondContact O-N 3.01Å; R99-I115 HydrophobicContact CG-CG2 4.45Å; R99-I115 WeakPolarHBondContact O-CD1 3.37Å
100	E	97.6	Very high	97.1	Very high	52 Å²	52	50.2 Å²	50.2	24%	0.243	26%	0.26	C	S	.	.	H	α-helix	trans	-70.6	-38.3	-179.1	-175.8	57.2	-162.8	0	0	112.2	Y41 E96 A98 L102 R103 L104	Y41-E100 HydrophobicContact CD1-CB 4.37Å; Y41-E100 HydrophobicContact CD1-CG 4.34Å; Y41-E100 HydrophobicContact CD2-CG 4.35Å; Y41-E100 HydrophobicContact CE1-CB 3.55Å; Y41-E100 HydrophobicContact CE1-CG 3.58Å; Y41-E100 HydrophobicContact CE2-CB 4.49Å; Y41-E100 HydrophobicContact CE2-CG 3.6Å; Y41-E100 WeakPolarHBondContact OH-CG 3.39Å; E96-E100 WeakPolarHBondContact O-CB 3.46Å; E96-E100 PolarHBondContact O-N 3.26Å; E96-E100 VanDerWaalsContact O-N 3.14Å; A98-E100 VanDerWaalsContact C-N 3.35Å; A98-E100 PolarHBondContact O-N 2.91Å; E100-L102 PolarHBondContact O-N 3.07Å; E100-R103 WeakPolarHBondContact O-CB 3.2Å; E100-R103 PolarHBondContact O-N 2.98Å; E100-R103 IonicContact OE1-CZ 2.99Å; E100-R103 IonicContact OE1-NE 3.65Å; E100-R103 PolarHBondContact OE1-NE 3.32Å; E100-R103 IonicContact OE1-NH2 3.09Å; E100-R103 PolarHBondContact OE1-NH2 3.32Å; E100-R103 IonicContact OE2-CZ 2.69Å; E100-R103 IonicContact OE2-NE 3.25Å; E100-R103 PolarHBondContact OE2-NE 2.91Å; E100-R103 IonicContact OE2-NH2 3.7Å; E100-L104 WeakPolarHBondContact O-CG 3.46Å; E100-L104 PolarHBondContact O-N 3.46Å
101	A	97.8	Very high	97	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.4	-47.6	172.3	0	0	0	0	0	112	M38 Y41 M42 V97 A98 L104 A105	M38-A101 HydrophobicContact CB-CB 4.44Å; Y41-A101 HydrophobicContact CD1-CB 3.87Å; M42-A101 HydrophobicContact CG-CB 3.81Å; M42-A101 HydrophobicContact SD-CB 4.03Å; V97-A101 VanDerWaalsContact O-CB 3.24Å; V97-A101 WeakPolarHBondContact O-CB 3.48Å; V97-A101 PolarHBondContact O-N 2.77Å; A98-A101 PolarHBondContact O-N 2.83Å; A101-L104 PolarHBondContact O-N 3.28Å; A101-A105 PolarHBondContact O-N 3.46Å
102	L	97.8	Very high	97	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-68.2	-34.7	179.2	-67.3	169	0	0	0	111.9	L18 M38 I90 A98 R99 E100 A105 S106 I115	L18-L102 HydrophobicContact CB-CD2 4.03Å; L18-L102 HydrophobicContact CD1-CB 4.42Å; M38-L102 HydrophobicContact SD-CD2 3.75Å; I90-L102 HydrophobicContact CD1-CD1 3.74Å; I90-L102 HydrophobicContact CD1-CD2 4.07Å; I90-L102 HydrophobicContact CD1-CG 3.61Å; I90-L102 HydrophobicContact CG1-CD1 4.04Å; I90-L102 HydrophobicContact CG1-CD2 4.28Å; I90-L102 HydrophobicContact CG1-CG 4.22Å; I90-L102 HydrophobicContact CG2-CD2 4.29Å; A98-L102 WeakPolarHBondContact O-CB 3.34Å; A98-L102 VanDerWaalsContact O-CG 3.29Å; A98-L102 WeakPolarHBondContact O-CG 3.33Å; A98-L102 PolarHBondContact O-N 3.19Å; R99-L102 PolarHBondContact O-N 2.81Å; E100-L102 PolarHBondContact O-N 3.07Å; L102-A105 WeakPolarHBondContact O-CB 3.34Å; L102-A105 PolarHBondContact O-N 2.69Å; L102-S106 PolarHBondContact O-N 2.82Å; L102-I115 HydrophobicContact CB-CD1 3.92Å; L102-I115 HydrophobicContact CB-CG1 3.91Å; L102-I115 HydrophobicContact CD1-CG2 3.83Å
103	R	98	Very high	97.1	Very high	107 Å²	107	56.7 Å²	56.7	40%	0.404	27%	0.274	S	S	.	.	H	α-helix	trans	-61	-47.7	172.5	-168.8	-171.5	73.6	85.8	4.9	110.7	R99 E100 A105 S106 H107 I115	R99-R103 WeakPolarHBondContact O-CB 3.28Å; R99-R103 PolarHBondContact O-N 3.01Å; E100-R103 WeakPolarHBondContact O-CB 3.2Å; E100-R103 PolarHBondContact O-N 2.98Å; E100-R103 IonicContact OE1-CZ 2.99Å; E100-R103 IonicContact OE1-NE 3.65Å; E100-R103 PolarHBondContact OE1-NE 3.32Å; E100-R103 IonicContact OE1-NH2 3.09Å; E100-R103 PolarHBondContact OE1-NH2 3.32Å; E100-R103 IonicContact OE2-CZ 2.69Å; E100-R103 IonicContact OE2-NE 3.25Å; E100-R103 PolarHBondContact OE2-NE 2.91Å; E100-R103 IonicContact OE2-NH2 3.7Å; R103-A105 VanDerWaalsContact C-N 3.3Å; R103-A105 PolarHBondContact O-N 3.25Å; R103-S106 WeakPolarHBondContact O-CB 3.3Å; R103-S106 PolarHBondContact O-N 3.16Å; R103-S106 PolarHBondContact O-OG 2.88Å; R103-H107 PolarHBondContact NH1-NE2 3.22Å; R103-H107 PolarHBondContact O-CD2 3.22Å; R103-H107 VanDerWaalsContact O-CD2 3.26Å; R103-H107 PolarHBondContact O-N 3.25Å; R103-I115 HydrophobicContact CB-CD1 4.38Å
104	L	97.8	Very high	97.2	Very high	51 Å²	51	61.7 Å²	61.7	27%	0.267	29%	0.294	S	S	.	.	H	α-helix	trans	-62.7	-36.3	176.4	-68.1	173.4	0	0	0	112.8	A37 Y41 E100 A101	A37-L104 HydrophobicContact CB-CB 4.49Å; Y41-L104 HydrophobicContact CD2-CD1 3.37Å; Y41-L104 HydrophobicContact CE2-CD1 4.12Å; Y41-L104 HydrophobicContact CG-CD1 3.69Å; E100-L104 WeakPolarHBondContact O-CG 3.46Å; E100-L104 PolarHBondContact O-N 3.46Å; A101-L104 PolarHBondContact O-N 3.28Å
105	A	98	Very high	97.3	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64	-41.1	174.4	0	0	0	0	0	112	L18 A34 M38 A101 L102 R103 H107 K108	L18-A105 HydrophobicContact CD2-CB 4.3Å; A34-A105 HydrophobicContact CB-CB 4.26Å; M38-A105 HydrophobicContact CE-CB 4.45Å; M38-A105 HydrophobicContact CG-CB 3.47Å; M38-A105 VanDerWaalsContact CG-CB 3.47Å; M38-A105 HydrophobicContact SD-CB 3.85Å; A101-A105 PolarHBondContact O-N 3.46Å; L102-A105 WeakPolarHBondContact O-CB 3.34Å; L102-A105 PolarHBondContact O-N 2.69Å; R103-A105 VanDerWaalsContact C-N 3.3Å; R103-A105 PolarHBondContact O-N 3.25Å; A105-H107 VanDerWaalsContact C-N 3.28Å; A105-H107 PolarHBondContact O-N 2.98Å; A105-K108 WeakPolarHBondContact O-CB 3.43Å; A105-K108 PolarHBondContact O-N 3.46Å
106	S	97.7	Very high	97.3	Very high	22 Å²	22	59.1 Å²	59.1	15%	0.154	28%	0.277	C	S	.	.	H	α-helix	trans	-57.9	-39.5	-179.6	75	0	0	0	0	112.9	L102 R103 K108 L109 T113	L102-S106 PolarHBondContact O-N 2.82Å; R103-S106 WeakPolarHBondContact O-CB 3.3Å; R103-S106 PolarHBondContact O-N 3.16Å; R103-S106 PolarHBondContact O-OG 2.88Å; S106-K108 PolarHBondContact O-N 2.83Å; S106-K108 VanDerWaalsContact O-N 3.08Å; S106-L109 PolarHBondContact O-N 2.92Å; S106-T113 WeakPolarHBondContact CB-OG1 2.92Å
107	H	97.7	Very high	97.2	Very high	123 Å²	123	58.2 Å²	58.2	57%	0.569	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-12	175.9	-67.2	-53.6	0	0	0	114.2	R103 A105	R103-H107 PolarHBondContact NH1-NE2 3.22Å; R103-H107 PolarHBondContact O-CD2 3.22Å; R103-H107 VanDerWaalsContact O-CD2 3.26Å; R103-H107 PolarHBondContact O-N 3.25Å; A105-H107 VanDerWaalsContact C-N 3.28Å; A105-H107 PolarHBondContact O-N 2.98Å
108	K	97.7	Very high	97	Very high	107 Å²	107	62.4 Å²	62.4	47%	0.465	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-6.9	174.7	-53.5	-53.5	179.3	-171.9	0	112.9	A33 A34 A37 A105 S106	A33-K108 HydrophobicContact CB-CB 4.2Å; A33-K108 HydrophobicContact CB-CG 4.4Å; A34-K108 HydrophobicContact CB-CB 4.23Å; A37-K108 HydrophobicContact CB-CG 4.2Å; A105-K108 WeakPolarHBondContact O-CB 3.43Å; A105-K108 PolarHBondContact O-N 3.46Å; S106-K108 PolarHBondContact O-N 2.83Å; S106-K108 VanDerWaalsContact O-N 3.08Å
109	L	97.6	Very high	96.2	Very high	15 Å²	15	71 Å²	71	8%	0.079	32%	0.323	C	S	.	.	S	Bend	trans	-104.5	139.2	-175.8	-57.3	175.5	0	0	0	110.5	L18 I26 A34 M87 F88 S106 M111 T113	L18-L109 HydrophobicContact CD2-CD1 3.72Å; I26-L109 HydrophobicContact CG2-CD2 4.05Å; A34-L109 HydrophobicContact CB-CD2 4.14Å; M87-L109 HydrophobicContact CE-CD1 3.54Å; M87-L109 HydrophobicContact SD-CD1 4.09Å; F88-L109 HydrophobicContact CE2-CD1 3.99Å; F88-L109 HydrophobicContact CE2-CD2 4.26Å; S106-L109 PolarHBondContact O-N 2.92Å; L109-M111 HydrophobicContact CB-CG 4.27Å; L109-M111 PolarHBondContact O-N 2.85Å; L109-T113 HydrophobicContact CD1-CG2 4.14Å
110	P	97	Very high	94.4	Very high	50 Å²	50	73.7 Å²	73.7	33%	0.325	34%	0.341	S	S	.	.	S	Bend	trans	-79.6	35.3	179.4	37.7	-42.1	0	0	0	112.4	H24 I26	H24-P110 WeakPolarHBondContact CD2-CG 3.3Å; I26-P110 HydrophobicContact CD1-CG 3.72Å
111	M	96	Very high	92	Very high	19 Å²	19	81 Å²	81	9%	0.094	38%	0.378	C	S	.	.	S	Bend	trans	-155.4	157.3	-169.9	80.9	-178.5	-60.3	0	0	112	A20 D22 H24 I26 V81 M87 L109 T113	A20-M111 HydrophobicContact CB-CE 3.33Å; A20-M111 HydrophobicContact CB-SD 4.2Å; D22-M111 WeakPolarHBondContact O-CE 3.22Å; D22-M111 VanDerWaalsContact OD1-CB 3.3Å; D22-M111 WeakPolarHBondContact OD1-CB 3.47Å; H24-M111 HydrophobicContact CB-CB 3.91Å; H24-M111 HydrophobicContact CB-CE 4.39Å; H24-M111 HydrophobicContact CB-SD 4.41Å; I26-M111 HydrophobicContact CD1-CG 4.45Å; I26-M111 HydrophobicContact CD1-SD 3.76Å; I26-M111 HydrophobicContact CG1-SD 4.28Å; V81-M111 HydrophobicContact CB-SD 4.49Å; V81-M111 HydrophobicContact CG1-CE 4.02Å; V81-M111 HydrophobicContact CG1-SD 4.2Å; M87-M111 HydrophobicContact CE-CG 4.37Å; M87-M111 HydrophobicContact CE-SD 3.77Å; M87-M111 HydrophobicContact SD-SD 3.56Å; L109-M111 HydrophobicContact CB-CG 4.27Å; L109-M111 PolarHBondContact O-N 2.85Å; M111-T113 HydrophobicContact CG-CG2 4.08Å
112	K	97	Very high	89.2	Confident	148 Å²	148	84.7 Å²	84.7	64%	0.643	42%	0.415	S	S	*	.			trans	-75.9	138.4	175.6	-68.3	-177.3	-178.8	-178.2	0	110	V21 D22	V21-K112 HydrophobicContact CB-CB 3.89Å; V21-K112 WeakPolarHBondContact CB-O 3.34Å; V21-K112 HydrophobicContact CG1-CB 4.36Å; V21-K112 PolarHBondContact N-O 3.44Å; D22-K112 PolarHBondContact OD1-N 2.88Å; D22-K112 PolarHBondContact OD2-N 3.45Å
113	T	97.7	Very high	86.1	Confident	34 Å²	34	87.9 Å²	87.9	21%	0.209	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	154.2	-179	60.7	0	0	0	0	112.4	L18 Q19 M87 S106 L109 M111	L18-T113 HydrophobicContact CD1-CG2 4.37Å; L18-T113 HydrophobicContact CD2-CG2 4.21Å; L18-T113 HydrophobicContact CG-CG2 4.09Å; Q19-T113 CarbonylContact O-C 3.6Å; Q19-T113 WeakPolarHBondContact O-CA 3.47Å; Q19-T113 WeakPolarHBondContact O-CB 3.5Å; M87-T113 HydrophobicContact CE-CG2 3.42Å; M87-T113 VanDerWaalsContact CE-CG2 3.42Å; S106-T113 WeakPolarHBondContact CB-OG1 2.92Å; L109-T113 HydrophobicContact CD1-CG2 4.14Å; M111-T113 HydrophobicContact CG-CG2 4.08Å
114	K	96.9	Very high	83.1	Confident	125 Å²	125	92 Å²	92	54%	0.543	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	136	173.9	-178.1	-179.4	177.8	-174.2	0	109	Q19 V21 V116	Q19-K114 PolarHBondContact N-O 2.92Å; Q19-K114 PolarHBondContact O-N 3.39Å; V21-K114 HydrophobicContact CG2-CB 3.91Å; K114-V116 HydrophobicContact CD-CG1 4.42Å; K114-V116 HydrophobicContact CG-CG1 4.38Å
115	I	97.5	Very high	80.3	Confident	59 Å²	59	94.8 Å²	94.8	30%	0.303	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	132.2	170.4	-61.3	170.1	0	0	0	107.8	G17 L18 R99 L102 R103	G17-I115 WeakPolarHBondContact O-CA 3.35Å; L18-I115 HydrophobicContact CD1-CG1 4.05Å; R99-I115 HydrophobicContact CG-CG2 4.45Å; R99-I115 WeakPolarHBondContact O-CD1 3.37Å; L102-I115 HydrophobicContact CB-CD1 3.92Å; L102-I115 HydrophobicContact CB-CG1 3.91Å; L102-I115 HydrophobicContact CD1-CG2 3.83Å; R103-I115 HydrophobicContact CB-CD1 4.38Å
116	V	96.2	Very high	77.7	Confident	29 Å²	29	102.8 Å²	102.8	18%	0.176	54%	0.539	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	143.2	179.5	-71.1	0	0	0	0	109.5	I11 Y16 G17 Q19 I86 K114	I11-V116 HydrophobicContact CD1-CB 4.46Å; I11-V116 HydrophobicContact CD1-CG2 3.93Å; I11-V116 HydrophobicContact CG1-CG2 4.26Å; Y16-V116 CarbonylContact C-O 3.6Å; Y16-V116 WeakPolarHBondContact CA-O 3.12Å; G17-V116 PolarHBondContact N-O 3.42Å; G17-V116 WeakPolarHBondContact O-CG2 3.47Å; G17-V116 PolarHBondContact O-N 3.02Å; Q19-V116 HydrophobicContact CB-CG1 4.23Å; Q19-V116 HydrophobicContact CB-CG2 4.2Å; I86-V116 HydrophobicContact CD1-CG2 3.63Å; K114-V116 HydrophobicContact CD-CG1 4.42Å; K114-V116 HydrophobicContact CG-CG1 4.38Å
117	K	95.4	Very high	74.8	Confident	119 Å²	119	111.1 Å²	111.1	52%	0.517	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.1	147.5	170.8	-172.9	174	-177.7	170.2	0	108	Y16 E95 E119	Y16-K117 HydrophobicContact CD1-CB 4.1Å; Y16-K117 HydrophobicContact CD1-CG 3.99Å; Y16-K117 HydrophobicContact CE1-CB 4.19Å; Y16-K117 HydrophobicContact CE1-CD 3.81Å; Y16-K117 HydrophobicContact CE1-CG 3.7Å; E95-K117 IonicContact OE2-NZ 2.81Å; E95-K117 PolarHBondContact OE2-NZ 3.03Å; K117-E119 PolarHBondContact O-N 2.77Å
118	R	91.5	Very high	72.3	Confident	128 Å²	128	112.3 Å²	112.3	48%	0.483	62%	0.62	S	S	.	*	P	Polyproline II helix	trans	-68.4	124.5	173	-175.1	174.5	-178.6	170.7	2	108.1	I11 G14 E15 E120	I11-R118 HydrophobicContact CB-CB 4.29Å; I11-R118 HydrophobicContact CD1-CB 4.05Å; I11-R118 HydrophobicContact CG2-CB 4.31Å; G14-R118 WeakPolarHBondContact O-CD 2.97Å; E15-R118 WeakPolarHBondContact O-CB 3.38Å; E15-R118 PolarHBondContact O-N 2.88Å; R118-E120 PolarHBondContact O-N 3.09Å
119	E	81	Confident	71	Confident	180 Å²	180	112.6 Å²	112.6	84%	0.841	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-70.1	124.4	167.9	-70.1	174.9	177.7	0	0	107.7	K117 M121	K117-E119 PolarHBondContact O-N 2.77Å; E119-M121 PolarHBondContact O-N 3.22Å
120	E	58.5	Low	69.6	Low	179 Å²	179	117.7 Å²	117.7	84%	0.836	66%	0.657	S	S	*	*			trans	-67.2	114.9	169.5	-73.5	-177.3	172.4	0	0	107.2	R118 G122	R118-E120 PolarHBondContact O-N 3.09Å; E120-G122 PolarHBondContact O-N 3.42Å
121	M	46.6	Very low	68.1	Low	207 Å²	207	121.4 Å²	121.4	100%	1.02	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	78.3	172.5	-153.7	159.7	79.1	0	0	107.4	E119	E119-M121 PolarHBondContact O-N 3.22Å
122	G	39	Very low	66.5	Low	77 Å²	77	127.5 Å²	127.5	79%	0.794	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	177.8	11	-171.5	0	0	0	0	0	118	E120	E120-G122 PolarHBondContact O-N 3.42Å
123	G	33.5	Very low	64.6	Low	67 Å²	67	126.2 Å²	126.2	69%	0.691	71%	0.713	S	S	*	*	S	Bend	trans	-138.6	114.6	178	0	0	0	0	0	112.8
124	E	35.3	Very low	62.3	Low	194 Å²	194	132.3 Å²	132.3	91%	0.907	75%	0.747	S	S	*	*			trans	75.8	87.8	171.2	-61.2	177.2	175.5	0	0	116.8	N126	E124-N126 PolarHBondContact O-N 2.65Å
125	S	37.7	Very low	59.9	Low	109 Å²	109	132.9 Å²	132.9	76%	0.762	76%	0.762	S	S	*	*			trans	-42.3	126.2	144.8	-38.6	0	0	0	0	109.6	E127	S125-E127 VanDerWaalsContact C-N 3.34Å; S125-E127 PolarHBondContact O-N 2.98Å
126	N	45.3	Very low	57	Low	168 Å²	168	138.5 Å²	138.5	90%	0.898	80%	0.797	S	S	*	*			trans	-60.6	97.9	164.1	-80.2	-32.9	0	0	0	108.6	E124	E124-N126 PolarHBondContact O-N 2.65Å
127	E	36.3	Very low	53.7	Low	197 Å²	197	147.7 Å²	147.7	92%	0.921	85%	0.849	S	S	*	*			trans	-86.4	101	153.8	-72.9	-170.7	172	0	0	107.4	S125	S125-E127 VanDerWaalsContact C-N 3.34Å; S125-E127 PolarHBondContact O-N 2.98Å
128	G	44.7	Very low	49.9	Very low	147 Å²	147	150.3 Å²	150.3	100%	1.515	88%	0.879	S	S	*	*			trans	-170.9	0	174.3	0	0	0	0	0	109.9

Retrieved 128 of 128 residues in 25.3 ms (Link to these results)

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