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Electron transfer flavoprotein subunit beta

Heterodimeric electron transfer flavoprotein that accepts electrons from several mitochondrial dehydrogenases, including acyl-CoA dehydrogenases, glutaryl-CoA and sarcosine dehydrogenase. It transfers the electrons to the main mitochondrial respiratory chain via ETF-ubiquinone oxidoreductase. Required for normal mitochondrial fatty acid oxidation and normal amino acid metabolism. ETFB binds an AMP molecule that probably has a purely structural role. The electron transfer flavoprotein serves as a specific electron acceptor for several dehydrogenases, including five acyl-CoA dehydrogenases, glutaryl-CoA and sarcosine dehydrogenase. It transfers the electrons to the main mitochondrial respiratory chain via ETF-ubiquinone oxidoreductase (ETF dehydrogenase).

AlphaFold DB , UniProt , Accession A0A060VYM0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 253 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	52	Low	92.7	Very high	189 Å²	189	35.6 Å²	35.6	93%	0.931	17%	0.172	S	C	*	.				0	118.7	0	-83.9	-163.5	-120.1	0	0	106.6	R3 K57	M1-R3 PolarHBondContact O-N 2.64Å; M1-K57 HydrophobicContact CB-CD 3.87Å; M1-K57 HydrophobicContact CG-CD 3.71Å; M1-K57 HydrophobicContact SD-CD 3.61Å; M1-K57 PolarHBondContact SD-NZ 3.21Å
2	S	83.8	Confident	93.2	Very high	36 Å²	36	34.2 Å²	34.2	25%	0.252	17%	0.165	S	C	.	.			trans	-68.1	115.5	-167.4	43.4	0	0	0	0	111.9	F55 I56 K57 S116	S2-F55 PolarHBondContact OG-O 3.36Å; S2-I56 WeakPolarHBondContact OG-CA 3.42Å; S2-K57 PolarHBondContact O-N 3.19Å; S2-S116 WeakPolarHBondContact CA-OG 3.41Å; S2-S116 VanDerWaalsContact CB-OG 3.3Å; S2-S116 WeakPolarHBondContact CB-OG 3.44Å
3	R	95.8	Very high	93.5	Very high	63 Å²	63	32.4 Å²	32.4	24%	0.238	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	138.9	173.4	-179.8	177.4	-66	145.9	2.4	109.1	M1 E58 V60 E113 A115 S116	M1-R3 PolarHBondContact O-N 2.64Å; R3-E58 WeakPolarHBondContact CA-O 3.2Å; R3-E58 HydrophobicContact CG-CB 4.43Å; R3-E58 IonicContact CZ-OE2 3.55Å; R3-E58 IonicContact NE-OE2 3.87Å; R3-E58 PolarHBondContact NE-OE2 3.13Å; R3-E58 IonicContact NH2-OE2 2.81Å; R3-E58 PolarHBondContact NH2-OE2 3.43Å; R3-V60 HydrophobicContact CG-CG2 4.04Å; R3-E113 VanDerWaalsContact CD-O 3.31Å; R3-E113 WeakPolarHBondContact CD-O 3.47Å; R3-E113 IonicContact CZ-OE2 2.75Å; R3-E113 IonicContact NE-OE2 2.73Å; R3-E113 PolarHBondContact NH1-O 2.95Å; R3-E113 IonicContact NH1-OE2 3.55Å; R3-E113 PolarHBondContact NH1-OE2 3.28Å; R3-A115 CarbonylContact O-C 3.5Å; R3-A115 WeakPolarHBondContact O-CA 3.22Å; R3-S116 PolarHBondContact N-OG 2.96Å; R3-S116 PolarHBondContact O-N 3.36Å; R3-S116 PolarHBondContact O-OG 2.93Å
4	V	98.2	Very high	93.6	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	130.8	177.1	174.6	0	0	0	0	110.6	A47 I56 E58 V60 L117 I119	V4-A47 HydrophobicContact CG1-CB 4.27Å; V4-I56 HydrophobicContact CB-CD1 4.08Å; V4-I56 HydrophobicContact CB-CG2 4.19Å; V4-I56 HydrophobicContact CG2-CB 4.35Å; V4-I56 HydrophobicContact CG2-CD1 3.29Å; V4-I56 HydrophobicContact CG2-CG1 3.64Å; V4-I56 HydrophobicContact CG2-CG2 3.75Å; V4-E58 PolarHBondContact N-O 3.06Å; V4-V60 PolarHBondContact O-N 3.26Å; V4-L117 WeakPolarHBondContact CA-O 3.35Å; V4-L117 HydrophobicContact CB-CB 4.41Å; V4-L117 HydrophobicContact CG1-CB 4.23Å; V4-L117 HydrophobicContact CG2-CB 3.58Å; V4-L117 HydrophobicContact CG2-CD2 4.26Å; V4-I119 HydrophobicContact CG1-CD1 3.99Å; V4-I119 HydrophobicContact CG1-CG1 3.91Å
5	L	98.8	Very high	93.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	128.3	167.1	-56.8	-173.9	0	0	0	108.2	V60 V62 L109 A110 E113 A115 L117 V118 I119	L5-V60 WeakPolarHBondContact CA-O 3.47Å; L5-V60 HydrophobicContact CD2-CB 3.8Å; L5-V60 HydrophobicContact CD2-CG1 4.14Å; L5-V60 HydrophobicContact CD2-CG2 4.39Å; L5-V62 HydrophobicContact CB-CG2 4.44Å; L5-V62 HydrophobicContact CD2-CG2 4.34Å; L5-L109 HydrophobicContact CD1-CB 3.85Å; L5-A110 HydrophobicContact CD1-CB 4.12Å; L5-E113 HydrophobicContact CD2-CB 4.13Å; L5-E113 HydrophobicContact CD2-CG 4.27Å; L5-A115 HydrophobicContact CD1-CB 4.15Å; L5-A115 HydrophobicContact CG-CB 3.81Å; L5-L117 PolarHBondContact N-O 3.25Å; L5-V118 HydrophobicContact CB-CG2 4.32Å; L5-V118 CarbonylContact O-C 3.59Å; L5-V118 WeakPolarHBondContact O-CA 3.4Å; L5-I119 PolarHBondContact O-N 3.01Å
6	V	98.8	Very high	93.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.9	173.6	85.7	0	0	0	0	109.8	A43 V44 A47 V59 V60 A61 V62 I119	V6-A43 VanDerWaalsContact CG2-C 3.48Å; V6-A43 HydrophobicContact CG2-CB 3.8Å; V6-A43 WeakPolarHBondContact CG2-O 3.42Å; V6-V44 HydrophobicContact CG1-CG2 3.79Å; V6-V44 HydrophobicContact CG2-CG2 4.21Å; V6-A47 HydrophobicContact CB-CB 4.38Å; V6-A47 HydrophobicContact CG2-CB 4.23Å; V6-V59 HydrophobicContact CG1-CG1 4.22Å; V6-V60 PolarHBondContact N-O 2.86Å; V6-A61 HydrophobicContact CG1-CB 4.21Å; V6-A61 CarbonylContact O-C 3.5Å; V6-A61 WeakPolarHBondContact O-CA 3.41Å; V6-V62 PolarHBondContact O-N 3.31Å; V6-I119 VanDerWaalsContact CA-O 3.3Å; V6-I119 WeakPolarHBondContact CA-O 3.41Å; V6-I119 HydrophobicContact CG2-CB 4.17Å; V6-I119 WeakPolarHBondContact CG2-O 3.3Å
7	G	98.6	Very high	94	Very high	5 Å²	5	53.5 Å²	53.5	5%	0.052	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	128.4	-179.3	0	0	0	0	0	112.4	C40 V62 F106 I119	G7-C40 PolarHBondContact O-SG 3.11Å; G7-V62 WeakPolarHBondContact CA-O 3.24Å; G7-F106 VanDerWaalsContact CA-CZ 3.43Å; G7-I119 PolarHBondContact N-O 3.43Å
8	V	98.7	Very high	94.1	Very high	6 Å²	6	55.4 Å²	55.4	4%	0.036	27%	0.274	C	S	.	.			trans	-121.9	131.9	174.9	-58.6	0	0	0	0	110.2	M36 C40 V44 V62 S63 T72 I73 A76	V8-M36 HydrophobicContact CB-CE 4.29Å; V8-M36 HydrophobicContact CB-CG 4.31Å; V8-M36 HydrophobicContact CB-SD 4.12Å; V8-M36 HydrophobicContact CG1-CE 4.05Å; V8-M36 HydrophobicContact CG1-SD 3.75Å; V8-C40 HydrophobicContact CB-CB 4.29Å; V8-C40 HydrophobicContact CG1-CB 4.22Å; V8-V44 HydrophobicContact CG1-CG2 3.45Å; V8-V44 VanDerWaalsContact CG1-CG2 3.45Å; V8-V62 PolarHBondContact N-O 2.9Å; V8-S63 WeakPolarHBondContact O-CA 3.47Å; V8-S63 VanDerWaalsContact O-CB 3.24Å; V8-S63 WeakPolarHBondContact O-CB 3.46Å; V8-S63 PolarHBondContact O-OG 2.9Å; V8-T72 HydrophobicContact CB-CG2 4.1Å; V8-T72 HydrophobicContact CG2-CG2 4.02Å; V8-I73 HydrophobicContact CG2-CG1 4.31Å; V8-A76 HydrophobicContact CG1-CB 4.17Å
9	K	98.8	Very high	94.2	Very high	44 Å²	44	60.9 Å²	60.9	19%	0.191	29%	0.291	C	S	.	.			trans	-112.6	137.2	176.2	-164.4	-175.9	-178.6	-169.1	0	109.7	V11 N37 A124 D126 D127	K9-V11 HydrophobicContact CB-CG1 4.27Å; K9-V11 HydrophobicContact CD-CG1 3.82Å; K9-V11 HydrophobicContact CG-CG1 3.9Å; K9-N37 HydrophobicContact CB-CB 4.34Å; K9-N37 PolarHBondContact O-N 2.82Å; K9-A124 HydrophobicContact CD-CB 3.55Å; K9-D126 WeakPolarHBondContact CE-OD2 3.3Å; K9-D126 IonicContact NZ-OD1 2.83Å; K9-D126 PolarHBondContact NZ-OD1 3.3Å; K9-D126 IonicContact NZ-OD2 2.84Å; K9-D126 PolarHBondContact NZ-OD2 2.93Å; K9-D127 IonicContact NZ-OD2 3.7Å; K9-D127 PolarHBondContact NZ-OD2 3.27Å
10	R	98.4	Very high	94.4	Very high	47 Å²	47	59 Å²	59	18%	0.177	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	121	168.9	-175.7	177.9	175.1	-78.3	-0.4	108.1	H34 V69 T72	R10-H34 HydrophobicContact CG-CB 4.01Å; R10-H34 PolarHBondContact NH1-CD2 3.45Å; R10-H34 PolarHBondContact NH1-NE2 2.84Å; R10-H34 VanDerWaalsContact NH2-CG 3.29Å; R10-H34 PolarHBondContact NH2-ND1 2.93Å; R10-V69 HydrophobicContact CB-CG1 4.08Å; R10-T72 WeakPolarHBondContact CB-OG1 3.46Å
11	V	98.2	Very high	94.4	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	165	-177.2	-60.1	0	0	0	0	109.9	K9 D13 H34 S35 N37 I125 D126	K9-V11 HydrophobicContact CB-CG1 4.27Å; K9-V11 HydrophobicContact CD-CG1 3.82Å; K9-V11 HydrophobicContact CG-CG1 3.9Å; V11-D13 PolarHBondContact O-N 2.82Å; V11-H34 VanDerWaalsContact C-CD2 3.43Å; V11-H34 CarbonylContact O-C 3.52Å; V11-H34 WeakPolarHBondContact O-CA 3.35Å; V11-H34 VanDerWaalsContact O-CB 3.22Å; V11-H34 WeakPolarHBondContact O-CB 3.36Å; V11-H34 PolarHBondContact O-CD2 2.85Å; V11-S35 PolarHBondContact N-O 3.19Å; V11-S35 PolarHBondContact O-N 3.18Å; V11-N37 HydrophobicContact CG1-CB 4.09Å; V11-N37 HydrophobicContact CG2-CB 3.91Å; V11-I125 HydrophobicContact CB-CG1 4.22Å; V11-I125 HydrophobicContact CG2-CD1 3.83Å; V11-I125 HydrophobicContact CG2-CG1 3.74Å; V11-D126 HydrophobicContact CB-CB 4.37Å; V11-D126 HydrophobicContact CG1-CB 4.29Å; V11-D126 WeakPolarHBondContact CG1-OD2 3.35Å
12	I	98.1	Very high	96.5	Very high	18 Å²	18	56.5 Å²	56.5	9%	0.092	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	135.9	168.5	-68.1	174.3	0	0	0	108.1	Y14 V16 I18 V27 T29 V32	I12-Y14 PolarHBondContact O-N 2.92Å; I12-V16 HydrophobicContact CG2-CB 3.73Å; I12-V16 HydrophobicContact CG2-CG1 3.92Å; I12-V16 HydrophobicContact CG2-CG2 4.33Å; I12-I18 HydrophobicContact CD1-CG2 4.06Å; I12-I18 HydrophobicContact CG2-CG2 4.13Å; I12-V27 HydrophobicContact CD1-CG2 4.12Å; I12-T29 HydrophobicContact CD1-CG2 4.34Å; I12-V32 HydrophobicContact CB-CG1 4.48Å; I12-V32 HydrophobicContact CD1-CG1 4.37Å; I12-V32 HydrophobicContact CG1-CG1 4.12Å; I12-V32 HydrophobicContact CG2-CG1 3.71Å
13	D	97.5	Very high	97.1	Very high	11 Å²	11	59.9 Å²	59.9	6%	0.059	29%	0.294	C	S	.	.			trans	-58.4	133.9	-178.7	-177.4	-66.9	0	0	0	110.3	V11 A15 V16 K33	V11-D13 PolarHBondContact O-N 2.82Å; D13-A15 PolarHBondContact O-N 2.79Å; D13-A15 VanDerWaalsContact OD1-CB 3.32Å; D13-A15 WeakPolarHBondContact OD1-CB 3.4Å; D13-A15 PolarHBondContact OD1-N 3.43Å; D13-V16 HydrophobicContact CB-CG2 4.01Å; D13-V16 WeakPolarHBondContact O-CB 3.33Å; D13-V16 PolarHBondContact O-N 3.21Å; D13-K33 HydrophobicContact CB-CB 4.36Å; D13-K33 HydrophobicContact CB-CD 4.14Å; D13-K33 HydrophobicContact CB-CG 4.13Å; D13-K33 PolarHBondContact N-O 2.75Å; D13-K33 VanDerWaalsContact OD2-CE 3.28Å; D13-K33 WeakPolarHBondContact OD2-CE 3.25Å; D13-K33 IonicContact OD2-NZ 3.41Å; D13-K33 PolarHBondContact OD2-NZ 3.27Å
14	Y	95	Very high	97.1	Very high	173 Å²	173	60 Å²	60	68%	0.678	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-19.6	-173.3	69.4	-91.6	0	0	0	113.7	I12 V16 P38	I12-Y14 PolarHBondContact O-N 2.92Å; Y14-V16 VanDerWaalsContact C-N 3.33Å; Y14-P38 HydrophobicContact CD1-CG 4.12Å
15	A	96	Very high	96.9	Very high	77 Å²	77	63.1 Å²	63.1	64%	0.636	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-6.6	176.7	0	0	0	0	0	113.1	D13	D13-A15 PolarHBondContact O-N 2.79Å; D13-A15 VanDerWaalsContact OD1-CB 3.32Å; D13-A15 WeakPolarHBondContact OD1-CB 3.4Å; D13-A15 PolarHBondContact OD1-N 3.43Å
16	V	96.6	Very high	96.7	Very high	48 Å²	48	63.8 Å²	63.8	29%	0.291	33%	0.326	S	S	.	.	S	Bend	trans	-86	128.8	-179.7	175.2	0	0	0	0	110.5	I12 D13 Y14 I18 V32 K33	I12-V16 HydrophobicContact CG2-CB 3.73Å; I12-V16 HydrophobicContact CG2-CG1 3.92Å; I12-V16 HydrophobicContact CG2-CG2 4.33Å; D13-V16 HydrophobicContact CB-CG2 4.01Å; D13-V16 WeakPolarHBondContact O-CB 3.33Å; D13-V16 PolarHBondContact O-N 3.21Å; Y14-V16 VanDerWaalsContact C-N 3.33Å; V16-I18 PolarHBondContact O-N 2.94Å; V16-V32 HydrophobicContact CB-CG1 4.46Å; V16-V32 HydrophobicContact CG1-CG1 3.76Å; V16-V32 HydrophobicContact CG2-CG1 4.34Å; V16-K33 HydrophobicContact CG2-CB 4.3Å
17	K	94.9	Very high	96.6	Very high	191 Å²	191	66.1 Å²	66.1	83%	0.83	34%	0.34	S	S	*	.			trans	-73.4	109.9	164.8	-173.7	178.6	178.9	-177.4	0	109.7
18	I	95.9	Very high	96.5	Very high	88 Å²	88	67.7 Å²	67.7	45%	0.451	35%	0.348	S	S	.	.			trans	-63.9	154.6	175.5	60.2	91.2	0	0	0	111.6	I12 V16 V27	I12-I18 HydrophobicContact CD1-CG2 4.06Å; I12-I18 HydrophobicContact CG2-CG2 4.13Å; V16-I18 PolarHBondContact O-N 2.94Å; I18-V27 HydrophobicContact CD1-CG1 4.36Å
19	R	95.9	Very high	96.2	Very high	160 Å²	160	70.1 Å²	70.1	60%	0.604	36%	0.364	S	S	*	.			trans	-130.4	134.6	173.3	-67.4	-177.3	-69	178	-0.3	108.6	V27 V28	R19-V27 CarbonylContact O-C 3.6Å; R19-V27 WeakPolarHBondContact O-CA 3.34Å; R19-V28 HydrophobicContact CB-CG2 4.34Å; R19-V28 PolarHBondContact O-N 3.06Å
20	V	97.1	Very high	95.9	Very high	22 Å²	22	74.5 Å²	74.5	13%	0.133	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-72.9	142	172.4	178.8	0	0	0	0	108.4	V225 E227	V20-V225 HydrophobicContact CG1-CG1 4.19Å; V20-V225 VanDerWaalsContact CG1-O 3.23Å; V20-V225 WeakPolarHBondContact CG1-O 3.41Å; V20-V225 HydrophobicContact CG2-CG1 4.2Å; V20-E227 HydrophobicContact CB-CG 3.93Å; V20-E227 HydrophobicContact CG2-CG 3.69Å
21	K	96.4	Very high	95.6	Very high	67 Å²	67	76.7 Å²	76.7	29%	0.291	43%	0.427	S	S	.	.			trans	-67.2	145.7	175.8	-69.9	175.6	176.5	179.3	0	109.9	D23 H24 S25 G26 V27 V28	K21-D23 WeakPolarHBondContact CB-OD1 3.07Å; K21-D23 PolarHBondContact O-N 3.04Å; K21-D23 VanDerWaalsContact O-N 3.1Å; K21-H24 PolarHBondContact O-N 3.27Å; K21-S25 VanDerWaalsContact CD-OG 3.22Å; K21-S25 WeakPolarHBondContact CD-OG 3.17Å; K21-G26 PolarHBondContact N-O 2.89Å; K21-V27 VanDerWaalsContact CE-O 3.27Å; K21-V27 WeakPolarHBondContact CE-O 3.41Å; K21-V28 HydrophobicContact CG-CG2 4.02Å
22	P	95.8	Very high	95.5	Very high	129 Å²	129	78.1 Å²	78.1	84%	0.838	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-23.1	176.6	-25.2	34.7	0	0	0	114.6	H24	P22-H24 VanDerWaalsContact C-N 3.33Å
23	D	96.1	Very high	95.4	Very high	106 Å²	106	83.7 Å²	83.7	57%	0.567	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	1.6	178.1	66.9	5.5	0	0	0	113.7	K21 S25	K21-D23 WeakPolarHBondContact CB-OD1 3.07Å; K21-D23 PolarHBondContact O-N 3.04Å; K21-D23 VanDerWaalsContact O-N 3.1Å; D23-S25 PolarHBondContact O-N 3.39Å; D23-S25 VanDerWaalsContact O-N 3.09Å; D23-S25 VanDerWaalsContact OD1-CB 3.31Å; D23-S25 WeakPolarHBondContact OD1-CB 3.37Å; D23-S25 PolarHBondContact OD1-N 3.38Å; D23-S25 PolarHBondContact OD1-OG 3.45Å; D23-S25 PolarHBondContact OD2-OG 3.19Å
24	H	95.7	Very high	95.4	Very high	66 Å²	66	85.1 Å²	85.1	31%	0.306	47%	0.465	S	S	.	.	S	Bend	trans	58.3	16.6	-178.3	-57.3	-86.2	0	0	0	115.4	K21 P22 G26 R224 V225 D226	K21-H24 PolarHBondContact O-N 3.27Å; P22-H24 VanDerWaalsContact C-N 3.33Å; H24-G26 VanDerWaalsContact C-N 3.29Å; H24-G26 PolarHBondContact O-N 2.88Å; H24-R224 HydrophobicContact CB-CG 3.7Å; H24-R224 PolarHBondContact CE1-NH2 2.8Å; H24-V225 WeakPolarHBondContact CA-O 3.33Å; H24-V225 WeakPolarHBondContact CB-O 3.15Å; H24-V225 PolarHBondContact ND1-O 2.93Å; H24-V225 VanDerWaalsContact ND1-O 3.12Å; H24-V225 PolarHBondContact O-N 3.2Å; H24-D226 IonicContact CE1-OD1 3.09Å; H24-D226 PolarHBondContact CE1-OD1 3.36Å; H24-D226 IonicContact CG-OD1 3.81Å; H24-D226 IonicContact ND1-OD1 2.8Å; H24-D226 PolarHBondContact ND1-OD1 2.9Å
25	S	93.9	Very high	95.6	Very high	67 Å²	67	78 Å²	78	47%	0.469	44%	0.441	S	S	.	.	S	Bend	trans	-78	-13.6	179.2	65.8	0	0	0	0	113.5	K21 D23	K21-S25 VanDerWaalsContact CD-OG 3.22Å; K21-S25 WeakPolarHBondContact CD-OG 3.17Å; D23-S25 PolarHBondContact O-N 3.39Å; D23-S25 VanDerWaalsContact O-N 3.09Å; D23-S25 VanDerWaalsContact OD1-CB 3.31Å; D23-S25 WeakPolarHBondContact OD1-CB 3.37Å; D23-S25 PolarHBondContact OD1-N 3.38Å; D23-S25 PolarHBondContact OD1-OG 3.45Å; D23-S25 PolarHBondContact OD2-OG 3.19Å
26	G	95.2	Very high	95.7	Very high	13 Å²	13	74.7 Å²	74.7	13%	0.134	41%	0.412	C	S	.	.	S	Bend	trans	161.6	-155.2	-176	0	0	0	0	0	113	K21 H24	K21-G26 PolarHBondContact N-O 2.89Å; H24-G26 VanDerWaalsContact C-N 3.29Å; H24-G26 PolarHBondContact O-N 2.88Å
27	V	96.2	Very high	95.8	Very high	50 Å²	50	72.5 Å²	72.5	30%	0.303	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-102.4	155.1	176.1	-61.7	0	0	0	0	111.6	I12 I18 R19 K21 T29	I12-V27 HydrophobicContact CD1-CG2 4.12Å; I18-V27 HydrophobicContact CD1-CG1 4.36Å; R19-V27 CarbonylContact O-C 3.6Å; R19-V27 WeakPolarHBondContact O-CA 3.34Å; K21-V27 VanDerWaalsContact CE-O 3.27Å; K21-V27 WeakPolarHBondContact CE-O 3.41Å; V27-T29 HydrophobicContact CG2-CG2 4.42Å; V27-T29 PolarHBondContact O-N 2.95Å
28	V	95.3	Very high	96	Very high	37 Å²	37	64.8 Å²	64.8	22%	0.224	37%	0.368	C	S	.	.			trans	-71.6	117.5	175.6	-180	0	0	0	0	109.7	R19 K21 V32	R19-V28 HydrophobicContact CB-CG2 4.34Å; R19-V28 PolarHBondContact O-N 3.06Å; K21-V28 HydrophobicContact CG-CG2 4.02Å; V28-V32 HydrophobicContact CG1-CG2 4.37Å; V28-V32 WeakPolarHBondContact O-CG2 3.28Å
29	T	93.9	Very high	96.1	Very high	58 Å²	58	61.2 Å²	61.2	36%	0.356	35%	0.349	S	S	.	.			trans	-107.1	-23.9	177.2	51.3	0	0	0	0	113	I12 V27 V32 H34	I12-T29 HydrophobicContact CD1-CG2 4.34Å; V27-T29 HydrophobicContact CG2-CG2 4.42Å; V27-T29 PolarHBondContact O-N 2.95Å; T29-V32 PolarHBondContact O-N 2.65Å; T29-H34 PolarHBondContact O-CE1 3.01Å
30	D	92.6	Very high	96.2	Very high	135 Å²	135	54 Å²	54	72%	0.722	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	132.9	-175	-61.1	-31.4	0	0	0	111.5	V32	D30-V32 PolarHBondContact O-N 2.93Å; D30-V32 VanDerWaalsContact O-N 3.11Å
31	G	92.1	Very high	96.3	Very high	94 Å²	94	56 Å²	56	97%	0.969	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	5.7	-176.1	0	0	0	0	0	114.4
32	V	95.7	Very high	96.4	Very high	30 Å²	30	53.2 Å²	53.2	18%	0.182	32%	0.319	C	S	.	.			trans	-91.1	136.8	178.5	177.5	0	0	0	0	110.3	I12 V16 V28 T29 D30 H34	I12-V32 HydrophobicContact CB-CG1 4.48Å; I12-V32 HydrophobicContact CD1-CG1 4.37Å; I12-V32 HydrophobicContact CG1-CG1 4.12Å; I12-V32 HydrophobicContact CG2-CG1 3.71Å; V16-V32 HydrophobicContact CB-CG1 4.46Å; V16-V32 HydrophobicContact CG1-CG1 3.76Å; V16-V32 HydrophobicContact CG2-CG1 4.34Å; V28-V32 HydrophobicContact CG1-CG2 4.37Å; V28-V32 WeakPolarHBondContact O-CG2 3.28Å; T29-V32 PolarHBondContact O-N 2.65Å; D30-V32 PolarHBondContact O-N 2.93Å; D30-V32 VanDerWaalsContact O-N 3.11Å; V32-H34 PolarHBondContact O-CE1 3.19Å; V32-H34 PolarHBondContact O-N 2.81Å; V32-H34 PolarHBondContact O-ND1 3.43Å
33	K	96.3	Very high	96.6	Very high	136 Å²	136	47 Å²	47	59%	0.591	28%	0.279	S	S	*	.			trans	-62.7	129	175	-172.6	-172.9	178.1	-147.9	0	110	D13 V16	D13-K33 HydrophobicContact CB-CB 4.36Å; D13-K33 HydrophobicContact CB-CD 4.14Å; D13-K33 HydrophobicContact CB-CG 4.13Å; D13-K33 PolarHBondContact N-O 2.75Å; D13-K33 VanDerWaalsContact OD2-CE 3.28Å; D13-K33 WeakPolarHBondContact OD2-CE 3.25Å; D13-K33 IonicContact OD2-NZ 3.41Å; D13-K33 PolarHBondContact OD2-NZ 3.27Å; V16-K33 HydrophobicContact CG2-CB 4.3Å
34	H	97.9	Very high	96.7	Very high	41 Å²	41	42 Å²	42	19%	0.19	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	154.6	172.5	-70.6	70.5	0	0	0	110.3	R10 V11 T29 V32	R10-H34 HydrophobicContact CG-CB 4.01Å; R10-H34 PolarHBondContact NH1-CD2 3.45Å; R10-H34 PolarHBondContact NH1-NE2 2.84Å; R10-H34 VanDerWaalsContact NH2-CG 3.29Å; R10-H34 PolarHBondContact NH2-ND1 2.93Å; V11-H34 VanDerWaalsContact C-CD2 3.43Å; V11-H34 CarbonylContact O-C 3.52Å; V11-H34 WeakPolarHBondContact O-CA 3.35Å; V11-H34 VanDerWaalsContact O-CB 3.22Å; V11-H34 WeakPolarHBondContact O-CB 3.36Å; V11-H34 PolarHBondContact O-CD2 2.85Å; T29-H34 PolarHBondContact O-CE1 3.01Å; V32-H34 PolarHBondContact O-CE1 3.19Å; V32-H34 PolarHBondContact O-N 2.81Å; V32-H34 PolarHBondContact O-ND1 3.43Å
35	S	97.4	Very high	96.8	Very high	24 Å²	24	39.2 Å²	39.2	17%	0.168	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	178	177.2	65.6	0	0	0	0	110.6	V11	V11-S35 PolarHBondContact N-O 3.19Å; V11-S35 PolarHBondContact O-N 3.18Å
36	M	98.6	Very high	97	Very high	7 Å²	7	36.5 Å²	36.5	3%	0.034	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	141.4	164.6	-168.4	176.4	-58	0	0	108.7	V8 C40 E41 V44 T72 T75 A76	V8-M36 HydrophobicContact CB-CE 4.29Å; V8-M36 HydrophobicContact CB-CG 4.31Å; V8-M36 HydrophobicContact CB-SD 4.12Å; V8-M36 HydrophobicContact CG1-CE 4.05Å; V8-M36 HydrophobicContact CG1-SD 3.75Å; M36-C40 HydrophobicContact CG-CB 3.93Å; M36-C40 HydrophobicContact SD-CB 4.17Å; M36-E41 HydrophobicContact CB-CG 3.86Å; M36-E41 HydrophobicContact CG-CG 3.82Å; M36-E41 HydrophobicContact SD-CB 4.29Å; M36-E41 HydrophobicContact SD-CG 3.54Å; M36-E41 VanDerWaalsContact SD-CG 3.54Å; M36-V44 HydrophobicContact SD-CG2 4.26Å; M36-T72 HydrophobicContact CB-CG2 3.84Å; M36-T72 HydrophobicContact CE-CG2 3.9Å; M36-T72 VanDerWaalsContact CE-O 3.28Å; M36-T72 WeakPolarHBondContact CE-O 3.39Å; M36-T72 HydrophobicContact CG-CG2 3.76Å; M36-T75 HydrophobicContact CE-CG2 3.88Å; M36-A76 HydrophobicContact CE-CB 3.92Å
37	N	98.7	Very high	97.2	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.011	21%	0.213	C	C	.	.			trans	-57.6	130.6	170.3	174.8	57.2	0	0	0	110.2	K9 V11 F39 C40 E41 Q123 I125	K9-N37 HydrophobicContact CB-CB 4.34Å; K9-N37 PolarHBondContact O-N 2.82Å; V11-N37 HydrophobicContact CG1-CB 4.09Å; V11-N37 HydrophobicContact CG2-CB 3.91Å; N37-F39 VanDerWaalsContact C-N 3.3Å; N37-F39 PolarHBondContact O-N 2.93Å; N37-C40 HydrophobicContact CB-CB 4.13Å; N37-C40 PolarHBondContact ND2-SG 3.13Å; N37-C40 VanDerWaalsContact ND2-SG 3.41Å; N37-C40 WeakPolarHBondContact O-CA 3.23Å; N37-C40 VanDerWaalsContact O-CB 3.24Å; N37-C40 WeakPolarHBondContact O-CB 3.39Å; N37-C40 PolarHBondContact O-N 3.45Å; N37-E41 PolarHBondContact O-N 3.2Å; N37-Q123 PolarHBondContact ND2-O 3.41Å; N37-I125 PolarHBondContact OD1-N 3.29Å
38	P	98.5	Very high	97.3	Very high	29 Å²	29	33.6 Å²	33.6	19%	0.188	20%	0.199	C	C	.	.	H	α-helix	trans	-55.3	-40.6	-175	-29.9	36.2	0	0	0	114.2	Y14 C40 E41 I42 I125	Y14-P38 HydrophobicContact CD1-CG 4.12Å; P38-C40 PolarHBondContact O-N 3.24Å; P38-E41 WeakPolarHBondContact O-CB 3.41Å; P38-E41 PolarHBondContact O-N 2.85Å; P38-I42 PolarHBondContact O-N 3.33Å; P38-I125 HydrophobicContact CG-CD1 4.48Å
39	F	98.8	Very high	97.4	Very high	12 Å²	12	34.9 Å²	34.9	5%	0.053	20%	0.202	C	C	.	.	H	α-helix	trans	-65.6	-28.7	176.5	-59.8	-84.7	0	0	0	112.9	N37 A43 K122 Q123 I125 L183	N37-F39 VanDerWaalsContact C-N 3.3Å; N37-F39 PolarHBondContact O-N 2.93Å; F39-A43 PolarHBondContact O-N 2.79Å; F39-A43 VanDerWaalsContact O-N 3.12Å; F39-K122 HydrophobicContact CD1-CB 3.81Å; F39-K122 HydrophobicContact CD1-CD 4.43Å; F39-K122 HydrophobicContact CE1-CB 4.06Å; F39-K122 HydrophobicContact CE1-CD 3.82Å; F39-K122 HydrophobicContact CE1-CG 4.33Å; F39-K122 HydrophobicContact CG-CB 4.37Å; F39-K122 HydrophobicContact CZ-CD 4.32Å; F39-Q123 HydrophobicContact CD2-CG 3.99Å; F39-Q123 WeakPolarHBondContact CD2-O 3.47Å; F39-Q123 HydrophobicContact CE2-CG 3.54Å; F39-Q123 HydrophobicContact CZ-CG 3.97Å; F39-I125 HydrophobicContact CD2-CG2 4.37Å; F39-I125 HydrophobicContact CE2-CG2 4.07Å; F39-L183 HydrophobicContact CD1-CD2 3.82Å; F39-L183 HydrophobicContact CD1-CG 4.15Å; F39-L183 HydrophobicContact CE1-CD1 4.34Å; F39-L183 HydrophobicContact CE1-CD2 3.63Å; F39-L183 HydrophobicContact CE1-CG 3.53Å; F39-L183 HydrophobicContact CG-CD2 4.44Å; F39-L183 HydrophobicContact CZ-CD1 4.37Å; F39-L183 HydrophobicContact CZ-CD2 4.05Å; F39-L183 HydrophobicContact CZ-CG 4.01Å
40	C	98.8	Very high	97.6	Very high	8 Å²	8	32.2 Å²	32.2	5%	0.054	19%	0.185	C	C	.	.	H	α-helix	trans	-72.4	-33.9	175.2	-67.6	0	0	0	0	111.9	G7 V8 M36 N37 P38 I42 A43 V44	G7-C40 PolarHBondContact O-SG 3.11Å; V8-C40 HydrophobicContact CB-CB 4.29Å; V8-C40 HydrophobicContact CG1-CB 4.22Å; M36-C40 HydrophobicContact CG-CB 3.93Å; M36-C40 HydrophobicContact SD-CB 4.17Å; N37-C40 HydrophobicContact CB-CB 4.13Å; N37-C40 PolarHBondContact ND2-SG 3.13Å; N37-C40 VanDerWaalsContact ND2-SG 3.41Å; N37-C40 WeakPolarHBondContact O-CA 3.23Å; N37-C40 VanDerWaalsContact O-CB 3.24Å; N37-C40 WeakPolarHBondContact O-CB 3.39Å; N37-C40 PolarHBondContact O-N 3.45Å; P38-C40 PolarHBondContact O-N 3.24Å; C40-I42 VanDerWaalsContact C-N 3.28Å; C40-I42 PolarHBondContact O-N 3.43Å; C40-A43 PolarHBondContact O-N 2.7Å; C40-V44 VanDerWaalsContact O-CG2 3.27Å; C40-V44 WeakPolarHBondContact O-CG2 3.26Å; C40-V44 PolarHBondContact O-N 2.88Å
41	E	98.6	Very high	97.8	Very high	65 Å²	65	27.8 Å²	27.8	30%	0.304	16%	0.16	S	C	.	.	H	α-helix	trans	-61.8	-39.6	174.4	-65.6	-174.4	170.9	0	0	111.3	M36 N37 P38 V44 E45 M79 P188	M36-E41 HydrophobicContact CB-CG 3.86Å; M36-E41 HydrophobicContact CG-CG 3.82Å; M36-E41 HydrophobicContact SD-CB 4.29Å; M36-E41 HydrophobicContact SD-CG 3.54Å; M36-E41 VanDerWaalsContact SD-CG 3.54Å; N37-E41 PolarHBondContact O-N 3.2Å; P38-E41 WeakPolarHBondContact O-CB 3.41Å; P38-E41 PolarHBondContact O-N 2.85Å; E41-V44 PolarHBondContact O-N 2.93Å; E41-E45 PolarHBondContact O-N 3.27Å; E41-M79 HydrophobicContact CB-CE 4.38Å; E41-P188 HydrophobicContact CB-CB 4Å; E41-P188 HydrophobicContact CB-CG 3.82Å
42	I	98.8	Very high	98	Very high	8 Å²	8	28.6 Å²	28.6	4%	0.041	14%	0.138	C	C	.	.	H	α-helix	trans	-67.6	-41.6	177.1	-62.6	176.2	0	0	0	111.4	P38 C40 V44 E45 E46 A181 L183 L185 N186 P188	P38-I42 PolarHBondContact O-N 3.33Å; C40-I42 VanDerWaalsContact C-N 3.28Å; C40-I42 PolarHBondContact O-N 3.43Å; I42-V44 VanDerWaalsContact C-N 3.33Å; I42-V44 PolarHBondContact O-N 2.94Å; I42-E45 PolarHBondContact O-N 2.86Å; I42-E46 PolarHBondContact O-N 3.5Å; I42-A181 HydrophobicContact CB-CB 4.35Å; I42-A181 HydrophobicContact CG2-CB 3.84Å; I42-L183 VanDerWaalsContact CD1-CA 3.48Å; I42-L183 HydrophobicContact CD1-CB 4.4Å; I42-L183 HydrophobicContact CD1-CD2 3.74Å; I42-L185 HydrophobicContact CG2-CB 3.68Å; I42-L185 HydrophobicContact CG2-CD2 4.14Å; I42-L185 HydrophobicContact CG2-CG 4.28Å; I42-N186 WeakPolarHBondContact CG2-OD1 3.42Å; I42-N186 PolarHBondContact O-ND2 3.37Å; I42-P188 HydrophobicContact CB-CG 4.45Å; I42-P188 HydrophobicContact CG1-CG 3.62Å
43	A	98.8	Very high	98	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.4	-43.5	173.8	0	0	0	0	0	111.6	V6 F39 C40 E46 A47 I119 A181	V6-A43 VanDerWaalsContact CG2-C 3.48Å; V6-A43 HydrophobicContact CG2-CB 3.8Å; V6-A43 WeakPolarHBondContact CG2-O 3.42Å; F39-A43 PolarHBondContact O-N 2.79Å; F39-A43 VanDerWaalsContact O-N 3.12Å; C40-A43 PolarHBondContact O-N 2.7Å; A43-E46 PolarHBondContact O-N 3.13Å; A43-A47 PolarHBondContact O-N 2.85Å; A43-I119 HydrophobicContact CB-CG2 3.74Å; A43-A181 HydrophobicContact CB-CB 4.23Å
44	V	98.8	Very high	97.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.3	-48.3	175.7	169.7	0	0	0	0	110.9	V6 V8 M36 C40 E41 I42 E46 A47 V48 A76 M79	V6-V44 HydrophobicContact CG1-CG2 3.79Å; V6-V44 HydrophobicContact CG2-CG2 4.21Å; V8-V44 HydrophobicContact CG1-CG2 3.45Å; V8-V44 VanDerWaalsContact CG1-CG2 3.45Å; M36-V44 HydrophobicContact SD-CG2 4.26Å; C40-V44 VanDerWaalsContact O-CG2 3.27Å; C40-V44 WeakPolarHBondContact O-CG2 3.26Å; C40-V44 PolarHBondContact O-N 2.88Å; E41-V44 PolarHBondContact O-N 2.93Å; I42-V44 VanDerWaalsContact C-N 3.33Å; I42-V44 PolarHBondContact O-N 2.94Å; V44-E46 VanDerWaalsContact C-N 3.32Å; V44-E46 PolarHBondContact O-N 3.45Å; V44-A47 PolarHBondContact O-N 3.11Å; V44-V48 HydrophobicContact CG1-CG2 4.43Å; V44-V48 VanDerWaalsContact O-CG2 3.31Å; V44-V48 WeakPolarHBondContact O-CG2 3.49Å; V44-V48 PolarHBondContact O-N 3.48Å; V44-A76 HydrophobicContact CG1-CB 4.34Å; V44-A76 HydrophobicContact CG2-CB 4Å; V44-M79 HydrophobicContact CB-CE 4.15Å; V44-M79 HydrophobicContact CB-SD 4.32Å; V44-M79 HydrophobicContact CG1-CB 3.82Å; V44-M79 HydrophobicContact CG1-CE 3.81Å; V44-M79 HydrophobicContact CG1-CG 4.43Å; V44-M79 HydrophobicContact CG1-SD 3.74Å
45	E	98.7	Very high	97.7	Very high	7 Å²	7	38 Å²	38	3%	0.033	18%	0.176	C	C	.	.	H	α-helix	trans	-58.3	-44.7	178.5	178.7	60.4	-148.2	0	0	111.5	E41 I42 A47 V48 K49 N186 P188 R189	E41-E45 PolarHBondContact O-N 3.27Å; I42-E45 PolarHBondContact O-N 2.86Å; E45-A47 PolarHBondContact O-N 3.18Å; E45-V48 PolarHBondContact O-N 2.99Å; E45-K49 HydrophobicContact CG-CD 4.19Å; E45-K49 HydrophobicContact CG-CG 4.43Å; E45-K49 WeakPolarHBondContact O-CG 3.48Å; E45-K49 PolarHBondContact O-N 3.34Å; E45-K49 WeakPolarHBondContact OE1-CE 3.39Å; E45-K49 WeakPolarHBondContact OE1-CG 3.09Å; E45-N186 WeakPolarHBondContact CB-OD1 3.34Å; E45-N186 HydrophobicContact CG-CB 4.23Å; E45-N186 WeakPolarHBondContact CG-OD1 3.38Å; E45-P188 HydrophobicContact CB-CB 4.39Å; E45-R189 IonicContact OE1-CZ 3.19Å; E45-R189 IonicContact OE1-NE 2.85Å; E45-R189 PolarHBondContact OE1-NE 3.23Å; E45-R189 IonicContact OE1-NH2 3.69Å; E45-R189 PolarHBondContact OE1-NH2 3.34Å; E45-R189 WeakPolarHBondContact OE2-CB 3.28Å; E45-R189 WeakPolarHBondContact OE2-CD 3.29Å; E45-R189 WeakPolarHBondContact OE2-CG 3.47Å; E45-R189 IonicContact OE2-CZ 3.73Å; E45-R189 PolarHBondContact OE2-N 3.17Å; E45-R189 VanDerWaalsContact OE2-N 3.09Å; E45-R189 IonicContact OE2-NE 3.54Å; E45-R189 PolarHBondContact OE2-NE 2.94Å; E45-R189 IonicContact OE2-NH2 3.55Å
46	E	98.6	Very high	97.6	Very high	11 Å²	11	37.1 Å²	37.1	5%	0.051	17%	0.17	C	C	.	.	H	α-helix	trans	-64.4	-44.8	-179.7	-166.6	57.4	-146.5	0	0	111.5	I42 A43 V44 V48 K49 L50 V151 L185 N186	I42-E46 PolarHBondContact O-N 3.5Å; A43-E46 PolarHBondContact O-N 3.13Å; V44-E46 VanDerWaalsContact C-N 3.32Å; V44-E46 PolarHBondContact O-N 3.45Å; E46-V48 VanDerWaalsContact C-N 3.27Å; E46-V48 PolarHBondContact O-N 2.6Å; E46-K49 PolarHBondContact O-N 3Å; E46-L50 HydrophobicContact CG-CD1 4.26Å; E46-L50 HydrophobicContact CG-CG 4.47Å; E46-L50 WeakPolarHBondContact O-CB 3.3Å; E46-L50 VanDerWaalsContact O-CG 3.3Å; E46-L50 WeakPolarHBondContact O-CG 3.37Å; E46-L50 PolarHBondContact O-N 2.9Å; E46-V151 HydrophobicContact CG-CB 4.47Å; E46-L185 HydrophobicContact CB-CD2 3.93Å; E46-L185 HydrophobicContact CG-CD2 3.94Å; E46-L185 HydrophobicContact CG-CG 4.38Å; E46-N186 PolarHBondContact N-ND2 2.98Å; E46-N186 PolarHBondContact OE2-ND2 3.32Å
47	A	98.4	Very high	97.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.4	-41.1	176.1	0	0	0	0	0	111.7	V4 V6 A43 V44 E45 K51 V59 I119	V4-A47 HydrophobicContact CG1-CB 4.27Å; V6-A47 HydrophobicContact CB-CB 4.38Å; V6-A47 HydrophobicContact CG2-CB 4.23Å; A43-A47 PolarHBondContact O-N 2.85Å; V44-A47 PolarHBondContact O-N 3.11Å; E45-A47 PolarHBondContact O-N 3.18Å; A47-K51 PolarHBondContact O-N 2.84Å; A47-K51 VanDerWaalsContact O-N 3.11Å; A47-V59 HydrophobicContact CB-CG1 3.68Å; A47-V59 HydrophobicContact CB-CG2 4.1Å; A47-V59 WeakPolarHBondContact O-CG2 3.4Å; A47-I119 HydrophobicContact CB-CD1 4.13Å
48	V	98.1	Very high	97.4	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	21%	0.206	C	C	.	.	H	α-helix	trans	-67.8	-44.5	177.3	173.5	0	0	0	0	111.4	V44 E45 E46 L50 K51 E52	V44-V48 HydrophobicContact CG1-CG2 4.43Å; V44-V48 VanDerWaalsContact O-CG2 3.31Å; V44-V48 WeakPolarHBondContact O-CG2 3.49Å; V44-V48 PolarHBondContact O-N 3.48Å; E45-V48 PolarHBondContact O-N 2.99Å; E46-V48 VanDerWaalsContact C-N 3.27Å; E46-V48 PolarHBondContact O-N 2.6Å; V48-L50 VanDerWaalsContact C-N 3.33Å; V48-L50 PolarHBondContact O-N 2.99Å; V48-K51 WeakPolarHBondContact O-CB 3.46Å; V48-K51 PolarHBondContact O-N 2.9Å; V48-K51 VanDerWaalsContact O-N 3.13Å; V48-E52 HydrophobicContact CG1-CG 4.44Å; V48-E52 WeakPolarHBondContact O-CG 3.4Å; V48-E52 PolarHBondContact O-N 2.82Å
49	K	97.9	Very high	97.4	Very high	64 Å²	64	44 Å²	44	28%	0.278	20%	0.197	S	C	.	.	H	α-helix	trans	-58.8	-43.9	175.7	-77.3	178.8	174.2	-178.6	0	112.1	E45 E46 K51 E52 K53	E45-K49 HydrophobicContact CG-CD 4.19Å; E45-K49 HydrophobicContact CG-CG 4.43Å; E45-K49 WeakPolarHBondContact O-CG 3.48Å; E45-K49 PolarHBondContact O-N 3.34Å; E45-K49 WeakPolarHBondContact OE1-CE 3.39Å; E45-K49 WeakPolarHBondContact OE1-CG 3.09Å; E46-K49 PolarHBondContact O-N 3Å; K49-K51 VanDerWaalsContact C-N 3.28Å; K49-K51 PolarHBondContact O-N 2.87Å; K49-E52 PolarHBondContact O-N 2.99Å; K49-K53 WeakPolarHBondContact O-CG 3.28Å; K49-K53 PolarHBondContact O-N 3Å
50	L	97	Very high	97.4	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-64.5	-33.9	177.4	-70.7	174.7	0	0	0	111.9	E46 V48 K54 F55 I56 L117 I119 V151 I153	E46-L50 HydrophobicContact CG-CD1 4.26Å; E46-L50 HydrophobicContact CG-CG 4.47Å; E46-L50 WeakPolarHBondContact O-CB 3.3Å; E46-L50 VanDerWaalsContact O-CG 3.3Å; E46-L50 WeakPolarHBondContact O-CG 3.37Å; E46-L50 PolarHBondContact O-N 2.9Å; V48-L50 VanDerWaalsContact C-N 3.33Å; V48-L50 PolarHBondContact O-N 2.99Å; L50-K54 PolarHBondContact O-N 3.04Å; L50-F55 HydrophobicContact CD2-CD2 4.3Å; L50-F55 PolarHBondContact O-N 3.14Å; L50-I56 HydrophobicContact CB-CD1 3.3Å; L50-I56 HydrophobicContact CB-CG1 4.08Å; L50-I56 HydrophobicContact CD1-CD1 3.83Å; L50-I56 HydrophobicContact CG-CD1 4.22Å; L50-I56 PolarHBondContact O-N 2.87Å; L50-L117 HydrophobicContact CD1-CD2 4.42Å; L50-I119 HydrophobicContact CD1-CD1 4.22Å; L50-V151 HydrophobicContact CD1-CG1 4.42Å; L50-I153 HydrophobicContact CD1-CD1 4.18Å; L50-I153 HydrophobicContact CD2-CD1 3.99Å; L50-I153 HydrophobicContact CD2-CG1 4.22Å
51	K	96.9	Very high	97.4	Very high	43 Å²	43	43 Å²	43	19%	0.187	19%	0.192	C	C	.	.	H	α-helix	trans	-67.4	-43.9	170.3	-177.2	177.2	67.9	179.6	0	112.4	A47 V48 K49 K53 K54 I56 V59 G80 D82	A47-K51 PolarHBondContact O-N 2.84Å; A47-K51 VanDerWaalsContact O-N 3.11Å; V48-K51 WeakPolarHBondContact O-CB 3.46Å; V48-K51 PolarHBondContact O-N 2.9Å; V48-K51 VanDerWaalsContact O-N 3.13Å; K49-K51 VanDerWaalsContact C-N 3.28Å; K49-K51 PolarHBondContact O-N 2.87Å; K51-K53 VanDerWaalsContact C-N 3.27Å; K51-K53 PolarHBondContact O-N 2.88Å; K51-K54 WeakPolarHBondContact O-CA 3.42Å; K51-K54 PolarHBondContact O-N 2.91Å; K51-I56 HydrophobicContact CB-CB 4.42Å; K51-V59 HydrophobicContact CB-CG2 4.06Å; K51-V59 HydrophobicContact CD-CG2 4.2Å; K51-G80 PolarHBondContact NZ-O 3.5Å; K51-D82 WeakPolarHBondContact CD-OD2 3.4Å; K51-D82 IonicContact NZ-OD1 3.9Å; K51-D82 PolarHBondContact NZ-OD1 3.38Å; K51-D82 IonicContact NZ-OD2 2.72Å; K51-D82 PolarHBondContact NZ-OD2 3.4Å
52	E	96.3	Very high	97.4	Very high	111 Å²	111	39.9 Å²	39.9	52%	0.519	18%	0.177	S	C	.	.	H	α-helix	trans	-62	-36.2	177.8	-71.9	173.6	157.3	0	0	112	V48 K49 K54 R189	V48-E52 HydrophobicContact CG1-CG 4.44Å; V48-E52 WeakPolarHBondContact O-CG 3.4Å; V48-E52 PolarHBondContact O-N 2.82Å; K49-E52 PolarHBondContact O-N 2.99Å; E52-K54 PolarHBondContact O-N 3.21Å; E52-R189 IonicContact OE1-CZ 2.65Å; E52-R189 IonicContact OE1-NH1 2.86Å; E52-R189 PolarHBondContact OE1-NH1 3.01Å; E52-R189 IonicContact OE1-NH2 3.69Å; E52-R189 PolarHBondContact OE1-NH2 2.89Å; E52-R189 IonicContact OE2-CZ 3.67Å; E52-R189 IonicContact OE2-NH1 3.4Å; E52-R189 IonicContact OE2-NH2 3.87Å; E52-R189 PolarHBondContact OE2-NH2 2.79Å
53	K	95.7	Very high	97.4	Very high	124 Å²	124	39.6 Å²	39.6	54%	0.539	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	0.8	171.1	-67.1	176.7	-176.9	176.8	0	113.9	K49 K51 F55	K49-K53 WeakPolarHBondContact O-CG 3.28Å; K49-K53 PolarHBondContact O-N 3Å; K51-K53 VanDerWaalsContact C-N 3.27Å; K51-K53 PolarHBondContact O-N 2.88Å; K53-F55 VanDerWaalsContact C-N 3.25Å; K53-F55 HydrophobicContact CB-CD2 3.51Å; K53-F55 HydrophobicContact CB-CE2 3.66Å; K53-F55 HydrophobicContact CD-CD2 4.28Å; K53-F55 HydrophobicContact CD-CE2 3.98Å; K53-F55 HydrophobicContact CG-CE2 4.42Å; K53-F55 PolarHBondContact O-N 3.01Å
54	K	94.8	Very high	97.4	Very high	188 Å²	188	40.2 Å²	40.2	82%	0.817	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.5	18.8	178.7	-52.3	177.4	-179.7	175.7	0	115.2	L50 K51 E52	L50-K54 PolarHBondContact O-N 3.04Å; K51-K54 WeakPolarHBondContact O-CA 3.42Å; K51-K54 PolarHBondContact O-N 2.91Å; E52-K54 PolarHBondContact O-N 3.21Å
55	F	94.1	Very high	97.4	Very high	91 Å²	91	40.2 Å²	40.2	40%	0.399	18%	0.18	S	C	.	.	S	Bend	trans	-78.4	-27.7	172.1	-65.5	-66	0	0	0	112.5	S2 L50 K53 I153	S2-F55 PolarHBondContact OG-O 3.36Å; L50-F55 HydrophobicContact CD2-CD2 4.3Å; L50-F55 PolarHBondContact O-N 3.14Å; K53-F55 VanDerWaalsContact C-N 3.25Å; K53-F55 HydrophobicContact CB-CD2 3.51Å; K53-F55 HydrophobicContact CB-CE2 3.66Å; K53-F55 HydrophobicContact CD-CD2 4.28Å; K53-F55 HydrophobicContact CD-CE2 3.98Å; K53-F55 HydrophobicContact CG-CE2 4.42Å; K53-F55 PolarHBondContact O-N 3.01Å; F55-I153 HydrophobicContact CB-CB 4.35Å; F55-I153 HydrophobicContact CB-CD1 3.69Å; F55-I153 HydrophobicContact CB-CG2 4.44Å; F55-I153 HydrophobicContact CD1-CB 4.03Å; F55-I153 HydrophobicContact CD1-CG2 3.94Å; F55-I153 HydrophobicContact CE1-CB 4.44Å; F55-I153 HydrophobicContact CG-CB 4.07Å; F55-I153 HydrophobicContact CG-CD1 4.3Å; F55-I153 HydrophobicContact CG-CG2 4.33Å
56	I	94.7	Very high	97.3	Very high	7 Å²	7	41 Å²	41	4%	0.036	19%	0.186	C	C	.	.			trans	-118.2	142.5	178.9	-61.3	164.3	0	0	0	108.8	S2 V4 L50 K51 E58 V59	S2-I56 WeakPolarHBondContact OG-CA 3.42Å; V4-I56 HydrophobicContact CB-CD1 4.08Å; V4-I56 HydrophobicContact CB-CG2 4.19Å; V4-I56 HydrophobicContact CG2-CB 4.35Å; V4-I56 HydrophobicContact CG2-CD1 3.29Å; V4-I56 HydrophobicContact CG2-CG1 3.64Å; V4-I56 HydrophobicContact CG2-CG2 3.75Å; L50-I56 HydrophobicContact CB-CD1 3.3Å; L50-I56 HydrophobicContact CB-CG1 4.08Å; L50-I56 HydrophobicContact CD1-CD1 3.83Å; L50-I56 HydrophobicContact CG-CD1 4.22Å; L50-I56 PolarHBondContact O-N 2.87Å; K51-I56 HydrophobicContact CB-CB 4.42Å; I56-E58 VanDerWaalsContact CG2-O 3.28Å; I56-E58 WeakPolarHBondContact CG2-O 3.4Å; I56-V59 HydrophobicContact CG2-CG2 4.24Å
57	K	95.9	Very high	97.2	Very high	137 Å²	137	44.3 Å²	44.3	60%	0.596	21%	0.207	S	C	*	.	S	Bend	trans	-91.5	-35.7	175.4	-68.6	-166.5	-179.5	-168.7	0	113.3	M1 S2	M1-K57 HydrophobicContact CB-CD 3.87Å; M1-K57 HydrophobicContact CG-CD 3.71Å; M1-K57 HydrophobicContact SD-CD 3.61Å; M1-K57 PolarHBondContact SD-NZ 3.21Å; S2-K57 PolarHBondContact O-N 3.19Å
58	E	97.7	Very high	97.2	Very high	44 Å²	44	48.8 Å²	48.8	21%	0.206	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	133.6	-173.9	-170.8	-178.2	-168.5	0	0	111.5	R3 V4 I56 V60 D82 R83	R3-E58 WeakPolarHBondContact CA-O 3.2Å; R3-E58 HydrophobicContact CG-CB 4.43Å; R3-E58 IonicContact CZ-OE2 3.55Å; R3-E58 IonicContact NE-OE2 3.87Å; R3-E58 PolarHBondContact NE-OE2 3.13Å; R3-E58 IonicContact NH2-OE2 2.81Å; R3-E58 PolarHBondContact NH2-OE2 3.43Å; V4-E58 PolarHBondContact N-O 3.06Å; I56-E58 VanDerWaalsContact CG2-O 3.28Å; I56-E58 WeakPolarHBondContact CG2-O 3.4Å; E58-V60 HydrophobicContact CG-CG2 4.14Å; E58-D82 HydrophobicContact CG-CB 4.05Å; E58-R83 IonicContact OE1-CZ 2.68Å; E58-R83 IonicContact OE1-NE 2.73Å; E58-R83 PolarHBondContact OE1-NE 3.4Å; E58-R83 IonicContact OE1-NH2 3.6Å; E58-R83 PolarHBondContact OE1-NH2 3.5Å; E58-R83 IonicContact OE2-NH2 2.79Å
59	V	98.5	Very high	97.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	119.3	174	-178.8	0	0	0	0	109.2	V6 A47 K51 I56 C81 D82	V6-V59 HydrophobicContact CG1-CG1 4.22Å; A47-V59 HydrophobicContact CB-CG1 3.68Å; A47-V59 HydrophobicContact CB-CG2 4.1Å; A47-V59 WeakPolarHBondContact O-CG2 3.4Å; K51-V59 HydrophobicContact CB-CG2 4.06Å; K51-V59 HydrophobicContact CD-CG2 4.2Å; I56-V59 HydrophobicContact CG2-CG2 4.24Å; V59-C81 HydrophobicContact CG1-CB 4.17Å; V59-D82 PolarHBondContact N-OD2 3.03Å; V59-D82 PolarHBondContact O-N 3.06Å
60	V	98.8	Very high	97.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	116.8	-179.5	-176.5	0	0	0	0	109.3	R3 V4 L5 V6 E58 V62 R83 I85	R3-V60 HydrophobicContact CG-CG2 4.04Å; V4-V60 PolarHBondContact O-N 3.26Å; L5-V60 WeakPolarHBondContact CA-O 3.47Å; L5-V60 HydrophobicContact CD2-CB 3.8Å; L5-V60 HydrophobicContact CD2-CG1 4.14Å; L5-V60 HydrophobicContact CD2-CG2 4.39Å; V6-V60 PolarHBondContact N-O 2.86Å; E58-V60 HydrophobicContact CG-CG2 4.14Å; V60-V62 HydrophobicContact CG1-CG2 4.37Å; V60-R83 WeakPolarHBondContact CA-O 3.46Å; V60-R83 HydrophobicContact CG1-CG 4.32Å; V60-R83 HydrophobicContact CG2-CG 4.11Å; V60-I85 HydrophobicContact CG1-CD1 3.7Å; V60-I85 HydrophobicContact CG1-CG1 3.74Å
61	A	98.8	Very high	97.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	130.1	175.8	0	0	0	0	0	110.7	V6 I73 A76 C81 R83 G84 I85	V6-A61 HydrophobicContact CG1-CB 4.21Å; V6-A61 CarbonylContact O-C 3.5Å; V6-A61 WeakPolarHBondContact O-CA 3.41Å; A61-I73 HydrophobicContact CB-CG2 4.37Å; A61-A76 HydrophobicContact CB-CB 3.73Å; A61-C81 HydrophobicContact CB-CB 4.04Å; A61-R83 PolarHBondContact N-O 3.43Å; A61-G84 CarbonylContact O-C 3.55Å; A61-G84 WeakPolarHBondContact O-CA 3.4Å; A61-I85 PolarHBondContact O-N 3.49Å
62	V	98.9	Very high	97.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	130.8	-178	-174.5	0	0	0	0	109.7	L5 V6 G7 V8 V60 I85 V87 F106 L109	L5-V62 HydrophobicContact CB-CG2 4.44Å; L5-V62 HydrophobicContact CD2-CG2 4.34Å; V6-V62 PolarHBondContact O-N 3.31Å; G7-V62 WeakPolarHBondContact CA-O 3.24Å; V8-V62 PolarHBondContact N-O 2.9Å; V60-V62 HydrophobicContact CG1-CG2 4.37Å; V62-I85 WeakPolarHBondContact CA-O 3.48Å; V62-I85 HydrophobicContact CG1-CB 4.49Å; V62-I85 HydrophobicContact CG2-CB 4.27Å; V62-I85 HydrophobicContact CG2-CD1 4.46Å; V62-V87 HydrophobicContact CG1-CG2 4.5Å; V62-F106 HydrophobicContact CB-CE1 3.87Å; V62-F106 HydrophobicContact CB-CZ 3.81Å; V62-F106 HydrophobicContact CG1-CE1 4.15Å; V62-F106 HydrophobicContact CG1-CE2 4.44Å; V62-F106 HydrophobicContact CG1-CZ 3.89Å; V62-F106 HydrophobicContact CG2-CE1 4.32Å; V62-L109 HydrophobicContact CG1-CD1 3.51Å; V62-L109 HydrophobicContact CG2-CD1 4.36Å
63	S	98.8	Very high	97.3	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.014	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	143.6	170.2	-157.3	0	0	0	0	110.9	V8 I85 V87	V8-S63 WeakPolarHBondContact O-CA 3.47Å; V8-S63 VanDerWaalsContact O-CB 3.24Å; V8-S63 WeakPolarHBondContact O-CB 3.46Å; V8-S63 PolarHBondContact O-OG 2.9Å; S63-I85 PolarHBondContact N-O 2.97Å; S63-V87 PolarHBondContact O-N 3.35Å
64	C	98.6	Very high	97.5	Very high	13 Å²	13	44.3 Å²	44.3	9%	0.088	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	132.4	179.6	-51.4	0	0	0	0	108.9	V87 M97 I105	C64-V87 VanDerWaalsContact CA-O 3.31Å; C64-V87 WeakPolarHBondContact CA-O 3.31Å; C64-V87 HydrophobicContact CB-CB 4.33Å; C64-M97 HydrophobicContact CB-CE 4.34Å; C64-M97 HydrophobicContact CB-SD 3.94Å; C64-I105 HydrophobicContact CB-CD1 4.5Å
65	G	97.9	Very high	97.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	144.5	-164.8	179.1	0	0	0	0	0	113.3	H86 V87 V89	G65-H86 PolarHBondContact O-NE2 2.86Å; G65-V87 PolarHBondContact N-O 3.33Å; G65-V89 CarbonylContact C-O 3.6Å; G65-V89 PolarHBondContact O-N 2.92Å
66	P	97.3	Very high	97.8	Very high	23 Å²	23	34 Å²	34	15%	0.149	17%	0.17	C	C	.	.	S	Bend	trans	-73	171.1	-175.8	34.3	-40.4	0	0	0	110.4	Q68 V69 V89 Y94	P66-Q68 VanDerWaalsContact CB-OE1 3.25Å; P66-Q68 PolarHBondContact O-N 2.84Å; P66-V69 WeakPolarHBondContact O-CG1 3.23Å; P66-V69 VanDerWaalsContact O-CG2 3.29Å; P66-V69 WeakPolarHBondContact O-CG2 3.36Å; P66-V69 PolarHBondContact O-N 2.69Å; P66-V89 WeakPolarHBondContact CA-O 3.45Å; P66-Y94 VanDerWaalsContact CD-CZ 3.46Å; P66-Y94 HydrophobicContact CG-CE1 4.2Å; P66-Y94 HydrophobicContact CG-CE2 4.32Å
67	T	97.1	Very high	98	Very high	81 Å²	81	33.7 Å²	33.7	50%	0.497	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-28.9	-174.7	-49.9	0	0	0	0	114.4	V69 T70	T67-V69 PolarHBondContact O-N 2.71Å; T67-T70 WeakPolarHBondContact O-CB 3.19Å; T67-T70 VanDerWaalsContact O-CG2 3.29Å; T67-T70 WeakPolarHBondContact O-CG2 3.43Å; T67-T70 PolarHBondContact O-N 3.24Å; T67-T70 VanDerWaalsContact O-N 3.08Å; T67-T70 PolarHBondContact O-OG1 2.99Å
68	Q	96.8	Very high	98.1	Very high	93 Å²	93	27.3 Å²	27.3	44%	0.435	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-24.1	178.3	-63.3	78	6.7	0	0	113.3	P66 T70 E71	P66-Q68 VanDerWaalsContact CB-OE1 3.25Å; P66-Q68 PolarHBondContact O-N 2.84Å; Q68-T70 PolarHBondContact O-N 2.92Å; Q68-E71 WeakPolarHBondContact O-CB 3.46Å; Q68-E71 PolarHBondContact O-N 2.83Å
69	V	97.8	Very high	98.1	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.018	13%	0.134	C	C	.	.	H	α-helix	trans	-66.3	-17.9	176.5	-51.5	0	0	0	0	112.6	R10 P66 T67 E71 T72 I73 H86	R10-V69 HydrophobicContact CB-CG1 4.08Å; P66-V69 WeakPolarHBondContact O-CG1 3.23Å; P66-V69 VanDerWaalsContact O-CG2 3.29Å; P66-V69 WeakPolarHBondContact O-CG2 3.36Å; P66-V69 PolarHBondContact O-N 2.69Å; T67-V69 PolarHBondContact O-N 2.71Å; V69-E71 PolarHBondContact O-N 3.5Å; V69-T72 WeakPolarHBondContact O-CB 3.4Å; V69-T72 PolarHBondContact O-N 3.33Å; V69-T72 VanDerWaalsContact O-N 3.08Å; V69-I73 PolarHBondContact O-N 3.42Å; V69-H86 WeakPolarHBondContact CG2-CD2 3.44Å; V69-H86 WeakPolarHBondContact CG2-NE2 3.49Å
70	T	97.8	Very high	98.1	Very high	36 Å²	36	26.4 Å²	26.4	22%	0.221	14%	0.142	C	C	.	.	H	α-helix	trans	-60.5	-31.2	174.5	61.4	0	0	0	0	112.1	T67 Q68 T72 I73 R74 H86	T67-T70 WeakPolarHBondContact O-CB 3.19Å; T67-T70 VanDerWaalsContact O-CG2 3.29Å; T67-T70 WeakPolarHBondContact O-CG2 3.43Å; T67-T70 PolarHBondContact O-N 3.24Å; T67-T70 VanDerWaalsContact O-N 3.08Å; T67-T70 PolarHBondContact O-OG1 2.99Å; Q68-T70 PolarHBondContact O-N 2.92Å; T70-T72 VanDerWaalsContact C-N 3.35Å; T70-I73 PolarHBondContact O-N 2.8Å; T70-R74 VanDerWaalsContact O-CG 3.23Å; T70-R74 WeakPolarHBondContact O-CG 3.36Å; T70-R74 PolarHBondContact O-N 3.38Å; T70-H86 HydrophobicContact CG2-CB 4.17Å; T70-H86 WeakPolarHBondContact CG2-ND1 3.4Å
71	E	97.2	Very high	98.1	Very high	127 Å²	127	26.4 Å²	26.4	59%	0.593	14%	0.142	S	C	*	.	H	α-helix	trans	-62	-43.1	173.7	-63.1	179	169.5	0	0	111.2	Q68 V69 I73 R74 T75	Q68-E71 WeakPolarHBondContact O-CB 3.46Å; Q68-E71 PolarHBondContact O-N 2.83Å; V69-E71 PolarHBondContact O-N 3.5Å; E71-I73 PolarHBondContact O-N 3.44Å; E71-R74 WeakPolarHBondContact O-CB 3.48Å; E71-R74 PolarHBondContact O-N 2.72Å; E71-R74 VanDerWaalsContact O-N 3.14Å; E71-T75 PolarHBondContact O-N 3.09Å; E71-T75 PolarHBondContact O-OG1 2.75Å
72	T	98.4	Very high	98	Very high	7 Å²	7	29.2 Å²	29.2	4%	0.043	16%	0.157	C	C	.	.	H	α-helix	trans	-64.5	-40.4	176.2	-51.5	0	0	0	0	111.6	V8 R10 M36 V69 T70 R74 T75 A76	V8-T72 HydrophobicContact CB-CG2 4.1Å; V8-T72 HydrophobicContact CG2-CG2 4.02Å; R10-T72 WeakPolarHBondContact CB-OG1 3.46Å; M36-T72 HydrophobicContact CB-CG2 3.84Å; M36-T72 HydrophobicContact CE-CG2 3.9Å; M36-T72 VanDerWaalsContact CE-O 3.28Å; M36-T72 WeakPolarHBondContact CE-O 3.39Å; M36-T72 HydrophobicContact CG-CG2 3.76Å; V69-T72 WeakPolarHBondContact O-CB 3.4Å; V69-T72 PolarHBondContact O-N 3.33Å; V69-T72 VanDerWaalsContact O-N 3.08Å; T70-T72 VanDerWaalsContact C-N 3.35Å; T72-R74 VanDerWaalsContact C-N 3.32Å; T72-R74 PolarHBondContact O-N 2.88Å; T72-T75 WeakPolarHBondContact O-CB 3.27Å; T72-T75 PolarHBondContact O-N 3.18Å; T72-A76 PolarHBondContact O-N 3.07Å; T72-A76 VanDerWaalsContact O-N 3.14Å
73	I	98.7	Very high	98	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.5	-42.6	172.6	-62.2	171	0	0	0	110.1	V8 A61 V69 T70 E71 T75 A76 L77 I85 H86 I204	V8-I73 HydrophobicContact CG2-CG1 4.31Å; A61-I73 HydrophobicContact CB-CG2 4.37Å; V69-I73 PolarHBondContact O-N 3.42Å; T70-I73 PolarHBondContact O-N 2.8Å; E71-I73 PolarHBondContact O-N 3.44Å; I73-T75 VanDerWaalsContact C-N 3.28Å; I73-T75 PolarHBondContact O-N 2.78Å; I73-A76 WeakPolarHBondContact O-CB 3.41Å; I73-A76 PolarHBondContact O-N 2.78Å; I73-A76 VanDerWaalsContact O-N 3.13Å; I73-L77 HydrophobicContact CG2-CD1 4.06Å; I73-L77 HydrophobicContact CG2-CG 4.25Å; I73-L77 VanDerWaalsContact O-CG 3.26Å; I73-L77 WeakPolarHBondContact O-CG 3.34Å; I73-L77 PolarHBondContact O-N 2.71Å; I73-I85 WeakPolarHBondContact CD1-O 3.49Å; I73-H86 HydrophobicContact CD1-CB 3.75Å; I73-I204 HydrophobicContact CB-CD1 4.11Å; I73-I204 HydrophobicContact CD1-CG2 4.31Å; I73-I204 HydrophobicContact CG2-CD1 3.7Å; I73-I204 HydrophobicContact CG2-CG1 3.96Å
74	R	98.3	Very high	98	Very high	78 Å²	78	31.5 Å²	31.5	29%	0.294	17%	0.165	S	C	.	.	H	α-helix	trans	-60.6	-37.3	177	-68	-72.5	179.1	-152.8	-5	112.2	T70 E71 T72 L77 A78 A199 K202 I204	T70-R74 VanDerWaalsContact O-CG 3.23Å; T70-R74 WeakPolarHBondContact O-CG 3.36Å; T70-R74 PolarHBondContact O-N 3.38Å; E71-R74 WeakPolarHBondContact O-CB 3.48Å; E71-R74 PolarHBondContact O-N 2.72Å; E71-R74 VanDerWaalsContact O-N 3.14Å; T72-R74 VanDerWaalsContact C-N 3.32Å; T72-R74 PolarHBondContact O-N 2.88Å; R74-L77 WeakPolarHBondContact O-CB 3.36Å; R74-L77 PolarHBondContact O-N 3.46Å; R74-A78 WeakPolarHBondContact O-CB 3.16Å; R74-A78 PolarHBondContact O-N 2.72Å; R74-A199 PolarHBondContact NH1-O 3Å; R74-K202 PolarHBondContact NH1-O 2.75Å; R74-I204 HydrophobicContact CG-CD1 4.11Å
75	T	98.3	Very high	98	Very high	63 Å²	63	30.9 Å²	30.9	39%	0.387	16%	0.161	S	C	.	.	H	α-helix	trans	-60.9	-48.2	172.4	-58.7	0	0	0	0	111.1	M36 E71 T72 I73 L77 A78 M79	M36-T75 HydrophobicContact CE-CG2 3.88Å; E71-T75 PolarHBondContact O-N 3.09Å; E71-T75 PolarHBondContact O-OG1 2.75Å; T72-T75 WeakPolarHBondContact O-CB 3.27Å; T72-T75 PolarHBondContact O-N 3.18Å; I73-T75 VanDerWaalsContact C-N 3.28Å; I73-T75 PolarHBondContact O-N 2.78Å; T75-L77 VanDerWaalsContact C-N 3.31Å; T75-L77 PolarHBondContact O-N 2.83Å; T75-A78 WeakPolarHBondContact O-CB 3.48Å; T75-A78 PolarHBondContact O-N 3.1Å; T75-M79 HydrophobicContact CG2-SD 4.42Å; T75-M79 WeakPolarHBondContact O-CG 3.44Å; T75-M79 PolarHBondContact O-N 3.36Å
76	A	98.6	Very high	98.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.3	-40	176.5	0	0	0	0	0	112.5	V8 M36 V44 A61 T72 I73 A78 M79 G80 C81	V8-A76 HydrophobicContact CG1-CB 4.17Å; M36-A76 HydrophobicContact CE-CB 3.92Å; V44-A76 HydrophobicContact CG1-CB 4.34Å; V44-A76 HydrophobicContact CG2-CB 4Å; A61-A76 HydrophobicContact CB-CB 3.73Å; T72-A76 PolarHBondContact O-N 3.07Å; T72-A76 VanDerWaalsContact O-N 3.14Å; I73-A76 WeakPolarHBondContact O-CB 3.41Å; I73-A76 PolarHBondContact O-N 2.78Å; I73-A76 VanDerWaalsContact O-N 3.13Å; A76-A78 VanDerWaalsContact C-N 3.28Å; A76-A78 PolarHBondContact O-N 2.73Å; A76-M79 PolarHBondContact O-N 3.43Å; A76-G80 PolarHBondContact O-N 2.98Å; A76-G80 VanDerWaalsContact O-N 3.07Å; A76-C81 PolarHBondContact O-N 3.4Å; A76-C81 VanDerWaalsContact O-N 3.1Å; A76-C81 PolarHBondContact O-SG 2.95Å
77	L	98.6	Very high	98.1	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-63.2	-33.5	174.4	-68.6	175.2	0	0	0	113	I73 R74 T75 C81 R83 A199 K202 I204	I73-L77 HydrophobicContact CG2-CD1 4.06Å; I73-L77 HydrophobicContact CG2-CG 4.25Å; I73-L77 VanDerWaalsContact O-CG 3.26Å; I73-L77 WeakPolarHBondContact O-CG 3.34Å; I73-L77 PolarHBondContact O-N 2.71Å; R74-L77 WeakPolarHBondContact O-CB 3.36Å; R74-L77 PolarHBondContact O-N 3.46Å; T75-L77 VanDerWaalsContact C-N 3.31Å; T75-L77 PolarHBondContact O-N 2.83Å; L77-C81 HydrophobicContact CD2-CB 4.07Å; L77-R83 VanDerWaalsContact CD2-CA 3.49Å; L77-A199 HydrophobicContact CB-CB 3.89Å; L77-K202 HydrophobicContact CB-CD 4.05Å; L77-K202 HydrophobicContact CD1-CB 4.07Å; L77-K202 HydrophobicContact CD2-CB 4.29Å; L77-K202 HydrophobicContact CD2-CD 4Å; L77-K202 HydrophobicContact CG-CD 4.5Å; L77-K202 PolarHBondContact O-NZ 2.98Å; L77-I204 HydrophobicContact CD1-CD1 4.08Å; L77-I204 HydrophobicContact CD1-CG1 3.83Å
78	A	98.2	Very high	98.2	Very high	3 Å²	3	29.4 Å²	29.4	3%	0.025	15%	0.146	C	C	.	.	H	α-helix	trans	-77.1	-28.7	176.2	0	0	0	0	0	112.3	R74 T75 A76 A191 N195 I196 A199	R74-A78 WeakPolarHBondContact O-CB 3.16Å; R74-A78 PolarHBondContact O-N 2.72Å; T75-A78 WeakPolarHBondContact O-CB 3.48Å; T75-A78 PolarHBondContact O-N 3.1Å; A76-A78 VanDerWaalsContact C-N 3.28Å; A76-A78 PolarHBondContact O-N 2.73Å; A78-A191 HydrophobicContact CB-CB 3.64Å; A78-N195 VanDerWaalsContact O-CB 3.32Å; A78-N195 WeakPolarHBondContact O-CB 3.44Å; A78-I196 HydrophobicContact CB-CG1 3.99Å; A78-A199 HydrophobicContact CB-CB 3.75Å
79	M	98.1	Very high	98.2	Very high	9 Å²	9	25.2 Å²	25.2	4%	0.044	13%	0.127	C	C	.	.	H	α-helix	trans	-70.3	-36.8	172.3	-67.4	171.7	74.7	0	0	111.9	E41 V44 T75 A76 P188 R189	E41-M79 HydrophobicContact CB-CE 4.38Å; V44-M79 HydrophobicContact CB-CE 4.15Å; V44-M79 HydrophobicContact CB-SD 4.32Å; V44-M79 HydrophobicContact CG1-CB 3.82Å; V44-M79 HydrophobicContact CG1-CE 3.81Å; V44-M79 HydrophobicContact CG1-CG 4.43Å; V44-M79 HydrophobicContact CG1-SD 3.74Å; T75-M79 HydrophobicContact CG2-SD 4.42Å; T75-M79 WeakPolarHBondContact O-CG 3.44Å; T75-M79 PolarHBondContact O-N 3.36Å; A76-M79 PolarHBondContact O-N 3.43Å; M79-P188 HydrophobicContact CE-CB 4.01Å; M79-R189 WeakPolarHBondContact O-CD 3.4Å
80	G	97.3	Very high	98.1	Very high	16 Å²	16	28.5 Å²	28.5	17%	0.165	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	156.9	-3.8	174.6	0	0	0	0	0	116.3	K51 A76	K51-G80 PolarHBondContact NZ-O 3.5Å; A76-G80 PolarHBondContact O-N 2.98Å; A76-G80 VanDerWaalsContact O-N 3.07Å
81	C	98.3	Very high	97.8	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.163	C	C	.	.			trans	-60.6	146.1	176.5	-58.8	0	0	0	0	111.4	V59 A61 A76 L77 K202	V59-C81 HydrophobicContact CG1-CB 4.17Å; A61-C81 HydrophobicContact CB-CB 4.04Å; A76-C81 PolarHBondContact O-N 3.4Å; A76-C81 VanDerWaalsContact O-N 3.1Å; A76-C81 PolarHBondContact O-SG 2.95Å; L77-C81 HydrophobicContact CD2-CB 4.07Å; C81-K202 PolarHBondContact O-NZ 2.99Å
82	D	98.3	Very high	97.5	Very high	59 Å²	59	31.2 Å²	31.2	32%	0.316	17%	0.17	S	C	.	.	S	Bend	trans	-79.3	-43.1	-172.9	-61.8	-69.2	0	0	0	111.8	K51 E58 V59	K51-D82 WeakPolarHBondContact CD-OD2 3.4Å; K51-D82 IonicContact NZ-OD1 3.9Å; K51-D82 PolarHBondContact NZ-OD1 3.38Å; K51-D82 IonicContact NZ-OD2 2.72Å; K51-D82 PolarHBondContact NZ-OD2 3.4Å; E58-D82 HydrophobicContact CG-CB 4.05Å; V59-D82 PolarHBondContact N-OD2 3.03Å; V59-D82 PolarHBondContact O-N 3.06Å
83	R	98.5	Very high	97.3	Very high	50 Å²	50	35 Å²	35	19%	0.189	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	168.3	175.7	61.3	169.8	171.5	105.9	-0.7	111.7	E58 V60 A61 L77 E113	E58-R83 IonicContact OE1-CZ 2.68Å; E58-R83 IonicContact OE1-NE 2.73Å; E58-R83 PolarHBondContact OE1-NE 3.4Å; E58-R83 IonicContact OE1-NH2 3.6Å; E58-R83 PolarHBondContact OE1-NH2 3.5Å; E58-R83 IonicContact OE2-NH2 2.79Å; V60-R83 WeakPolarHBondContact CA-O 3.46Å; V60-R83 HydrophobicContact CG1-CG 4.32Å; V60-R83 HydrophobicContact CG2-CG 4.11Å; A61-R83 PolarHBondContact N-O 3.43Å; L77-R83 VanDerWaalsContact CD2-CA 3.49Å; R83-E113 IonicContact CZ-OE1 2.6Å; R83-E113 IonicContact CZ-OE2 3.18Å; R83-E113 IonicContact NH1-OE1 3.96Å; R83-E113 PolarHBondContact NH1-OE1 3.36Å; R83-E113 IonicContact NH1-OE2 2.78Å; R83-E113 VanDerWaalsContact NH2-CD 3.33Å; R83-E113 IonicContact NH2-OE1 2.7Å; R83-E113 PolarHBondContact NH2-OE1 3.08Å; R83-E113 IonicContact NH2-OE2 2.78Å; R83-E113 PolarHBondContact NH2-OE2 3.42Å
84	G	98.7	Very high	97.1	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	156.1	-178.7	0	0	0	0	0	113.1	A61 K203 I204 A205	A61-G84 CarbonylContact O-C 3.55Å; A61-G84 WeakPolarHBondContact O-CA 3.4Å; G84-K203 PolarHBondContact N-O 3.45Å; G84-I204 CarbonylContact O-C 3.58Å; G84-I204 WeakPolarHBondContact O-CA 3.43Å; G84-A205 PolarHBondContact O-N 3.12Å
85	I	98.8	Very high	96.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	120.4	166	-58.2	176.3	0	0	0	107.4	V60 A61 V62 S63 I73 V87 L109 E113 A205 M207	V60-I85 HydrophobicContact CG1-CD1 3.7Å; V60-I85 HydrophobicContact CG1-CG1 3.74Å; A61-I85 PolarHBondContact O-N 3.49Å; V62-I85 WeakPolarHBondContact CA-O 3.48Å; V62-I85 HydrophobicContact CG1-CB 4.49Å; V62-I85 HydrophobicContact CG2-CB 4.27Å; V62-I85 HydrophobicContact CG2-CD1 4.46Å; S63-I85 PolarHBondContact N-O 2.97Å; I73-I85 WeakPolarHBondContact CD1-O 3.49Å; I85-V87 HydrophobicContact CG2-CG2 4.12Å; I85-L109 HydrophobicContact CD1-CD2 4.11Å; I85-L109 HydrophobicContact CG2-CD1 4.48Å; I85-L109 HydrophobicContact CG2-CD2 4.35Å; I85-E113 HydrophobicContact CD1-CG 4.23Å; I85-A205 CarbonylContact C-O 3.54Å; I85-A205 WeakPolarHBondContact CA-O 3.37Å; I85-A205 HydrophobicContact CG1-CB 4.48Å; I85-M207 HydrophobicContact CG2-CG 4.15Å; I85-M207 HydrophobicContact CG2-SD 3.89Å
86	H	98.8	Very high	96.3	Very high	3 Å²	3	41.9 Å²	41.9	1%	0.014	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	115.4	169.1	173.3	-152.8	0	0	0	108	G65 V69 T70 I73 I204 A205 N206 M207	G65-H86 PolarHBondContact O-NE2 2.86Å; V69-H86 WeakPolarHBondContact CG2-CD2 3.44Å; V69-H86 WeakPolarHBondContact CG2-NE2 3.49Å; T70-H86 HydrophobicContact CG2-CB 4.17Å; T70-H86 WeakPolarHBondContact CG2-ND1 3.4Å; I73-H86 HydrophobicContact CD1-CB 3.75Å; H86-I204 HydrophobicContact CB-CG2 3.85Å; H86-A205 PolarHBondContact N-O 3.24Å; H86-N206 WeakPolarHBondContact O-CA 3.31Å; H86-M207 PolarHBondContact O-N 2.98Å
87	V	98.6	Very high	96.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	102.7	168.7	-173.5	0	0	0	0	107.6	V62 S63 C64 G65 I85 V89 I105 L109 M207 P209 L212	V62-V87 HydrophobicContact CG1-CG2 4.5Å; S63-V87 PolarHBondContact O-N 3.35Å; C64-V87 VanDerWaalsContact CA-O 3.31Å; C64-V87 WeakPolarHBondContact CA-O 3.31Å; C64-V87 HydrophobicContact CB-CB 4.33Å; G65-V87 PolarHBondContact N-O 3.33Å; I85-V87 HydrophobicContact CG2-CG2 4.12Å; V87-V89 HydrophobicContact CG1-CG2 4.44Å; V87-V89 PolarHBondContact O-N 3.14Å; V87-I105 HydrophobicContact CB-CG2 4.29Å; V87-I105 HydrophobicContact CG1-CD1 4.01Å; V87-I105 HydrophobicContact CG1-CG1 4.46Å; V87-I105 HydrophobicContact CG1-CG2 4.15Å; V87-I105 HydrophobicContact CG2-CG2 3.78Å; V87-L109 HydrophobicContact CG2-CD1 4.04Å; V87-M207 CarbonylContact C-O 3.6Å; V87-M207 VanDerWaalsContact CA-O 3.31Å; V87-M207 WeakPolarHBondContact CA-O 3.36Å; V87-P209 HydrophobicContact CG1-CG 4.06Å; V87-L212 HydrophobicContact CG1-CD1 4.5Å; V87-L212 HydrophobicContact CG2-CD1 4.35Å
88	E	98.3	Very high	96.1	Very high	70 Å²	70	44.2 Å²	44.2	33%	0.327	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	117.1	-174.6	-171	-179.7	-169	0	0	110.4	M207 P209	E88-M207 PolarHBondContact N-O 2.82Å; E88-P209 WeakPolarHBondContact O-CD 3.36Å
89	V	97.5	Very high	96.1	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.024	24%	0.244	C	C	.	.			trans	-134.6	128.5	175.6	-171.6	0	0	0	0	107.4	G65 P66 V87 D93 M97 P209 M216	G65-V89 CarbonylContact C-O 3.6Å; G65-V89 PolarHBondContact O-N 2.92Å; P66-V89 WeakPolarHBondContact CA-O 3.45Å; V87-V89 HydrophobicContact CG1-CG2 4.44Å; V87-V89 PolarHBondContact O-N 3.14Å; V89-D93 HydrophobicContact CG1-CB 3.71Å; V89-M97 HydrophobicContact CB-SD 4.28Å; V89-M97 HydrophobicContact CG1-SD 4.29Å; V89-M97 HydrophobicContact CG2-SD 4.14Å; V89-P209 HydrophobicContact CG2-CG 3.71Å; V89-M216 HydrophobicContact CG1-CE 3.84Å; V89-M216 HydrophobicContact CG2-CE 4.15Å
90	S	94.9	Very high	96.1	Very high	72 Å²	72	46.8 Å²	46.8	50%	0.503	26%	0.255	S	S	.	.			trans	-145.4	169.5	-176.3	62.8	0	0	0	0	111.5
91	G	92.6	Very high	96.1	Very high	47 Å²	47	46.2 Å²	46.2	49%	0.485	25%	0.248	S	C	.	.	H	α-helix	trans	59.3	-139.4	-179.3	0	0	0	0	0	112.6	D93 Y94 E95	G91-D93 VanDerWaalsContact C-N 3.29Å; G91-D93 PolarHBondContact O-N 3.01Å; G91-Y94 WeakPolarHBondContact O-CB 3.46Å; G91-Y94 PolarHBondContact O-N 2.89Å; G91-E95 PolarHBondContact O-N 3.26Å; G91-E95 VanDerWaalsContact O-N 3.13Å
92	K	90.3	Very high	96.1	Very high	174 Å²	174	47.1 Å²	47.1	76%	0.757	25%	0.253	S	S	*	.	H	α-helix	trans	-59.7	-36.6	-175.8	-64.1	-170.7	178.3	-173.7	0	113.5	Y94 E95 A96	K92-Y94 PolarHBondContact O-N 2.96Å; K92-E95 PolarHBondContact O-N 3.5Å; K92-A96 WeakPolarHBondContact O-CB 3.49Å; K92-A96 PolarHBondContact O-N 3.34Å
93	D	93.6	Very high	96.1	Very high	85 Å²	85	44.3 Å²	44.3	46%	0.455	24%	0.238	S	C	.	.	H	α-helix	trans	-66	-32.1	178.8	-70.7	-14.8	0	0	0	111.4	V89 G91 M97 M216	V89-D93 HydrophobicContact CG1-CB 3.71Å; G91-D93 VanDerWaalsContact C-N 3.29Å; G91-D93 PolarHBondContact O-N 3.01Å; D93-M97 VanDerWaalsContact O-CB 3.31Å; D93-M97 WeakPolarHBondContact O-CB 3.19Å; D93-M97 PolarHBondContact O-N 3.43Å; D93-M97 VanDerWaalsContact O-N 3.1Å; D93-M216 HydrophobicContact CB-CB 4.23Å
94	Y	94.8	Very high	96.1	Very high	84 Å²	84	45 Å²	45	33%	0.329	24%	0.242	S	C	.	.	H	α-helix	trans	-74.1	-41.6	176	178.1	-112.2	0	0	0	111.6	P66 G91 K92 A96 M97	P66-Y94 VanDerWaalsContact CD-CZ 3.46Å; P66-Y94 HydrophobicContact CG-CE1 4.2Å; P66-Y94 HydrophobicContact CG-CE2 4.32Å; G91-Y94 WeakPolarHBondContact O-CB 3.46Å; G91-Y94 PolarHBondContact O-N 2.89Å; K92-Y94 PolarHBondContact O-N 2.96Å; Y94-A96 VanDerWaalsContact C-N 3.28Å; Y94-A96 PolarHBondContact O-N 3.31Å; Y94-M97 HydrophobicContact CD2-CE 3.63Å; Y94-M97 HydrophobicContact CE2-CE 3.7Å; Y94-M97 WeakPolarHBondContact O-CB 3.47Å; Y94-M97 PolarHBondContact O-N 2.91Å
95	E	90.6	Very high	96.1	Very high	161 Å²	161	45 Å²	45	75%	0.752	24%	0.242	S	C	*	.	H	α-helix	trans	-62.5	-36.2	176.3	-68	170.4	-177.4	0	0	112.1	G91 K92	G91-E95 PolarHBondContact O-N 3.26Å; G91-E95 VanDerWaalsContact O-N 3.13Å; K92-E95 PolarHBondContact O-N 3.5Å
96	A	89.4	Confident	96.1	Very high	41 Å²	41	45.3 Å²	45.3	34%	0.339	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-1	178	0	0	0	0	0	113.8	K92 Y94 G98	K92-A96 WeakPolarHBondContact O-CB 3.49Å; K92-A96 PolarHBondContact O-N 3.34Å; Y94-A96 VanDerWaalsContact C-N 3.28Å; Y94-A96 PolarHBondContact O-N 3.31Å; A96-G98 PolarHBondContact O-N 3.04Å
97	M	95.4	Very high	96.1	Very high	32 Å²	32	45.6 Å²	45.6	16%	0.158	25%	0.246	C	C	.	.			trans	-71.4	114	-175.6	-174.3	172.8	65.3	0	0	110.7	C64 V89 D93 Y94 Q101 I102 M216	C64-M97 HydrophobicContact CB-CE 4.34Å; C64-M97 HydrophobicContact CB-SD 3.94Å; V89-M97 HydrophobicContact CB-SD 4.28Å; V89-M97 HydrophobicContact CG1-SD 4.29Å; V89-M97 HydrophobicContact CG2-SD 4.14Å; D93-M97 VanDerWaalsContact O-CB 3.31Å; D93-M97 WeakPolarHBondContact O-CB 3.19Å; D93-M97 PolarHBondContact O-N 3.43Å; D93-M97 VanDerWaalsContact O-N 3.1Å; Y94-M97 HydrophobicContact CD2-CE 3.63Å; Y94-M97 HydrophobicContact CE2-CE 3.7Å; Y94-M97 WeakPolarHBondContact O-CB 3.47Å; Y94-M97 PolarHBondContact O-N 2.91Å; M97-Q101 HydrophobicContact CG-CB 4.32Å; M97-I102 HydrophobicContact CG-CD1 4.31Å; M97-I102 HydrophobicContact CG-CG1 3.93Å; M97-I102 HydrophobicContact SD-CG1 4.06Å; M97-M216 HydrophobicContact CB-CE 4.32Å; M97-M216 HydrophobicContact CG-CE 3.98Å; M97-M216 HydrophobicContact SD-CE 4.17Å
98	G	96.5	Very high	96.1	Very high	18 Å²	18	46.8 Å²	46.8	19%	0.186	26%	0.256	C	S	.	.			trans	-116.3	-174.8	174.8	0	0	0	0	0	113.6	A96 L100 Q101 I102	A96-G98 PolarHBondContact O-N 3.04Å; G98-L100 PolarHBondContact O-N 2.81Å; G98-L100 VanDerWaalsContact O-N 3.16Å; G98-Q101 PolarHBondContact O-N 3.4Å; G98-Q101 PolarHBondContact O-OE1 3.35Å; G98-I102 WeakPolarHBondContact O-CG1 3.26Å; G98-I102 PolarHBondContact O-N 3.44Å
99	P	98.2	Very high	96.2	Very high	14 Å²	14	43.4 Å²	43.4	9%	0.091	24%	0.241	C	C	.	.	H	α-helix	trans	-53.2	-35	178.3	-30.7	38	0	0	0	114.2	A103 C129 Q131 M135	P99-A103 WeakPolarHBondContact O-CB 2.98Å; P99-A103 PolarHBondContact O-N 2.88Å; P99-C129 HydrophobicContact CG-CB 3.69Å; P99-Q131 HydrophobicContact CB-CB 3.68Å; P99-Q131 HydrophobicContact CG-CB 4.03Å; P99-M135 HydrophobicContact CB-SD 3.94Å
100	L	98.3	Very high	96.2	Very high	52 Å²	52	43.3 Å²	43.3	27%	0.272	24%	0.24	S	C	.	.	H	α-helix	trans	-64.7	-48.3	179.9	178.5	60.3	0	0	0	112.6	G98 I102 A103 K104 M135	G98-L100 PolarHBondContact O-N 2.81Å; G98-L100 VanDerWaalsContact O-N 3.16Å; L100-I102 VanDerWaalsContact C-N 3.34Å; L100-A103 PolarHBondContact O-N 2.95Å; L100-K104 WeakPolarHBondContact O-CG 3.46Å; L100-K104 PolarHBondContact O-N 3.17Å; L100-M135 HydrophobicContact CB-CE 3.81Å; L100-M135 HydrophobicContact CB-SD 4.42Å; L100-M135 HydrophobicContact CD1-CE 3.59Å; L100-M135 HydrophobicContact CG-CE 4.23Å
101	Q	98.2	Very high	96.3	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.019	25%	0.245	C	C	.	.	H	α-helix	trans	-64.2	-44.3	-179.9	-69.5	72.3	23.7	0	0	110	M97 G98 A103 K104 I105 M216 V217	M97-Q101 HydrophobicContact CG-CB 4.32Å; G98-Q101 PolarHBondContact O-N 3.4Å; G98-Q101 PolarHBondContact O-OE1 3.35Å; Q101-A103 VanDerWaalsContact C-N 3.33Å; Q101-A103 PolarHBondContact O-N 3.36Å; Q101-K104 PolarHBondContact O-N 3.12Å; Q101-I105 WeakPolarHBondContact O-CG1 3.35Å; Q101-I105 PolarHBondContact O-N 2.8Å; Q101-M216 HydrophobicContact CB-CE 3.69Å; Q101-M216 HydrophobicContact CB-SD 3.97Å; Q101-M216 HydrophobicContact CG-CE 3.94Å; Q101-M216 HydrophobicContact CG-SD 4.16Å; Q101-V217 PolarHBondContact NE2-O 2.88Å
102	I	98.4	Very high	96.6	Very high	20 Å²	20	50.1 Å²	50.1	10%	0.103	25%	0.247	C	C	.	.	H	α-helix	trans	-60.2	-45.1	175.6	-60.8	169.3	0	0	0	110	M97 G98 L100 K104 I105 F106 T132	M97-I102 HydrophobicContact CG-CD1 4.31Å; M97-I102 HydrophobicContact CG-CG1 3.93Å; M97-I102 HydrophobicContact SD-CG1 4.06Å; G98-I102 WeakPolarHBondContact O-CG1 3.26Å; G98-I102 PolarHBondContact O-N 3.44Å; L100-I102 VanDerWaalsContact C-N 3.34Å; I102-K104 PolarHBondContact O-N 3.32Å; I102-I105 WeakPolarHBondContact O-CB 3.47Å; I102-I105 PolarHBondContact O-N 3.24Å; I102-I105 VanDerWaalsContact O-N 3.16Å; I102-F106 HydrophobicContact CG2-CD2 3.64Å; I102-F106 HydrophobicContact CG2-CE2 3.67Å; I102-F106 WeakPolarHBondContact O-CD2 3.39Å; I102-F106 PolarHBondContact O-N 3.44Å; I102-T132 HydrophobicContact CB-CG2 4.04Å; I102-T132 HydrophobicContact CG2-CG2 3.5Å; I102-T132 VanDerWaalsContact CG2-CG2 3.5Å
103	A	98.7	Very high	96.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.4	-39.9	179.9	0	0	0	0	0	113.1	P99 L100 Q101 F106 A107 M135 T136 L139	P99-A103 WeakPolarHBondContact O-CB 2.98Å; P99-A103 PolarHBondContact O-N 2.88Å; L100-A103 PolarHBondContact O-N 2.95Å; Q101-A103 VanDerWaalsContact C-N 3.33Å; Q101-A103 PolarHBondContact O-N 3.36Å; A103-F106 PolarHBondContact O-N 3.31Å; A103-A107 WeakPolarHBondContact O-CB 3.46Å; A103-A107 PolarHBondContact O-N 3.03Å; A103-M135 HydrophobicContact CB-CB 3.48Å; A103-M135 VanDerWaalsContact CB-CB 3.48Å; A103-T136 WeakPolarHBondContact CA-OG1 3.43Å; A103-L139 HydrophobicContact CB-CD1 3.84Å
104	K	98.6	Very high	97	Very high	64 Å²	64	46.8 Å²	46.8	28%	0.278	23%	0.231	S	C	.	.	H	α-helix	trans	-62.1	-43.3	172.7	-71.2	176	-178.8	178	0	111.9	L100 Q101 I102 A107 A108 L139 V214	L100-K104 WeakPolarHBondContact O-CG 3.46Å; L100-K104 PolarHBondContact O-N 3.17Å; Q101-K104 PolarHBondContact O-N 3.12Å; I102-K104 PolarHBondContact O-N 3.32Å; K104-A107 PolarHBondContact O-N 2.84Å; K104-A108 PolarHBondContact O-N 2.93Å; K104-L139 HydrophobicContact CB-CD1 4.48Å; K104-L139 HydrophobicContact CG-CD1 3.92Å; K104-V214 HydrophobicContact CB-CG1 3.65Å; K104-V214 HydrophobicContact CB-CG2 4.07Å; K104-V214 HydrophobicContact CD-CG1 4.07Å
105	I	98.7	Very high	97.2	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-59.8	-49.7	175.6	-70.8	164.3	0	0	0	110.5	C64 V87 Q101 I102 A107 A108 L109 P209 L212 V214 M216	C64-I105 HydrophobicContact CB-CD1 4.5Å; V87-I105 HydrophobicContact CB-CG2 4.29Å; V87-I105 HydrophobicContact CG1-CD1 4.01Å; V87-I105 HydrophobicContact CG1-CG1 4.46Å; V87-I105 HydrophobicContact CG1-CG2 4.15Å; V87-I105 HydrophobicContact CG2-CG2 3.78Å; Q101-I105 WeakPolarHBondContact O-CG1 3.35Å; Q101-I105 PolarHBondContact O-N 2.8Å; I102-I105 WeakPolarHBondContact O-CB 3.47Å; I102-I105 PolarHBondContact O-N 3.24Å; I102-I105 VanDerWaalsContact O-N 3.16Å; I105-A107 VanDerWaalsContact C-N 3.33Å; I105-A107 PolarHBondContact O-N 2.88Å; I105-A108 PolarHBondContact O-N 3.43Å; I105-L109 HydrophobicContact CG2-CD1 3.8Å; I105-L109 HydrophobicContact CG2-CG 4.39Å; I105-L109 WeakPolarHBondContact O-CB 3.49Å; I105-L109 WeakPolarHBondContact O-CG 3.35Å; I105-L109 PolarHBondContact O-N 2.97Å; I105-P209 HydrophobicContact CD1-CG 4.34Å; I105-L212 HydrophobicContact CG2-CD1 3.84Å; I105-V214 HydrophobicContact CG1-CB 4.36Å; I105-V214 HydrophobicContact CG1-CG1 4.09Å; I105-V214 HydrophobicContact CG1-CG2 4.33Å; I105-M216 HydrophobicContact CD1-SD 4.14Å
106	F	98.8	Very high	97.5	Very high	7 Å²	7	36.7 Å²	36.7	3%	0.031	19%	0.191	C	C	.	.	H	α-helix	trans	-63.1	-38	177.8	-88.8	-86.2	0	0	0	112.5	G7 V62 I102 A103 L109 A110 V118 L120 T136	G7-F106 VanDerWaalsContact CA-CZ 3.43Å; V62-F106 HydrophobicContact CB-CE1 3.87Å; V62-F106 HydrophobicContact CB-CZ 3.81Å; V62-F106 HydrophobicContact CG1-CE1 4.15Å; V62-F106 HydrophobicContact CG1-CE2 4.44Å; V62-F106 HydrophobicContact CG1-CZ 3.89Å; V62-F106 HydrophobicContact CG2-CE1 4.32Å; I102-F106 HydrophobicContact CG2-CD2 3.64Å; I102-F106 HydrophobicContact CG2-CE2 3.67Å; I102-F106 WeakPolarHBondContact O-CD2 3.39Å; I102-F106 PolarHBondContact O-N 3.44Å; A103-F106 PolarHBondContact O-N 3.31Å; F106-L109 PolarHBondContact O-N 2.81Å; F106-A110 VanDerWaalsContact O-CB 3.22Å; F106-A110 WeakPolarHBondContact O-CB 3.22Å; F106-A110 PolarHBondContact O-N 3.35Å; F106-V118 HydrophobicContact CD1-CG1 3.85Å; F106-V118 HydrophobicContact CE1-CG1 4.39Å; F106-L120 HydrophobicContact CD1-CD2 4.22Å; F106-L120 HydrophobicContact CE1-CD2 3.83Å; F106-L120 HydrophobicContact CE2-CD2 4.2Å; F106-L120 HydrophobicContact CZ-CD2 3.84Å; F106-T136 HydrophobicContact CB-CG2 3.81Å
107	A	98.8	Very high	97.9	Very high	8 Å²	8	34.8 Å²	34.8	7%	0.066	18%	0.175	C	C	.	.	H	α-helix	trans	-64.1	-44	176.1	0	0	0	0	0	111.9	A103 K104 I105 A110 K111 L139 L140	A103-A107 WeakPolarHBondContact O-CB 3.46Å; A103-A107 PolarHBondContact O-N 3.03Å; K104-A107 PolarHBondContact O-N 2.84Å; I105-A107 VanDerWaalsContact C-N 3.33Å; I105-A107 PolarHBondContact O-N 2.88Å; A107-A110 PolarHBondContact O-N 3.44Å; A107-K111 WeakPolarHBondContact O-CG 3.45Å; A107-K111 PolarHBondContact O-N 3.35Å; A107-L139 HydrophobicContact CB-CB 3.94Å; A107-L140 HydrophobicContact CB-CD2 3.85Å; A107-L140 HydrophobicContact CB-CG 3.87Å; A107-L140 WeakPolarHBondContact O-CD2 3.47Å
108	A	98.6	Very high	98.1	Very high	25 Å²	25	33.2 Å²	33.2	21%	0.207	17%	0.168	C	C	.	.	H	α-helix	trans	-64.9	-43.1	175.9	0	0	0	0	0	111.9	K104 I105 K111 K112 L212 V214	K104-A108 PolarHBondContact O-N 2.93Å; I105-A108 PolarHBondContact O-N 3.43Å; A108-K111 PolarHBondContact O-N 3.36Å; A108-K112 WeakPolarHBondContact O-CB 3.49Å; A108-K112 PolarHBondContact O-N 3.4Å; A108-L212 HydrophobicContact CB-CB 3.88Å; A108-L212 HydrophobicContact CB-CD2 4.38Å; A108-V214 HydrophobicContact CB-CG2 4.19Å
109	L	98.6	Very high	98.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.3	-42.2	176.7	-74.9	173.7	0	0	0	112.3	L5 V62 I85 V87 I105 F106 K111 K112 E113 M207 L212	L5-L109 HydrophobicContact CD1-CB 3.85Å; V62-L109 HydrophobicContact CG1-CD1 3.51Å; V62-L109 HydrophobicContact CG2-CD1 4.36Å; I85-L109 HydrophobicContact CD1-CD2 4.11Å; I85-L109 HydrophobicContact CG2-CD1 4.48Å; I85-L109 HydrophobicContact CG2-CD2 4.35Å; V87-L109 HydrophobicContact CG2-CD1 4.04Å; I105-L109 HydrophobicContact CG2-CD1 3.8Å; I105-L109 HydrophobicContact CG2-CG 4.39Å; I105-L109 WeakPolarHBondContact O-CB 3.49Å; I105-L109 WeakPolarHBondContact O-CG 3.35Å; I105-L109 PolarHBondContact O-N 2.97Å; F106-L109 PolarHBondContact O-N 2.81Å; L109-K111 VanDerWaalsContact C-N 3.27Å; L109-K111 PolarHBondContact O-N 3.4Å; L109-K112 PolarHBondContact O-N 3.22Å; L109-E113 WeakPolarHBondContact O-CB 3.38Å; L109-E113 WeakPolarHBondContact O-CG 3.17Å; L109-E113 PolarHBondContact O-N 2.95Å; L109-M207 HydrophobicContact CD2-SD 3.86Å; L109-L212 HydrophobicContact CD1-CD1 4.39Å; L109-L212 HydrophobicContact CD2-CD1 4.04Å; L109-L212 HydrophobicContact CD2-CD2 3.71Å; L109-L212 HydrophobicContact CG-CD1 3.88Å; L109-L212 HydrophobicContact CG-CD2 4.16Å
110	A	98.4	Very high	98.2	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.008	16%	0.157	C	C	.	.	H	α-helix	trans	-59.3	-40.3	178.7	0	0	0	0	0	111.5	L5 F106 A107 E114 A115 V118 L140 W142	L5-A110 HydrophobicContact CD1-CB 4.12Å; F106-A110 VanDerWaalsContact O-CB 3.22Å; F106-A110 WeakPolarHBondContact O-CB 3.22Å; F106-A110 PolarHBondContact O-N 3.35Å; A107-A110 PolarHBondContact O-N 3.44Å; A110-E114 PolarHBondContact O-N 2.9Å; A110-E114 VanDerWaalsContact O-N 3.14Å; A110-A115 HydrophobicContact CB-CB 4.23Å; A110-A115 PolarHBondContact O-N 3.08Å; A110-V118 HydrophobicContact CB-CG2 4.03Å; A110-L140 HydrophobicContact CB-CD1 3.78Å; A110-L140 HydrophobicContact CB-CD2 4.2Å; A110-W142 HydrophobicContact CB-CH2 3.91Å; A110-W142 HydrophobicContact CB-CZ3 4.32Å
111	K	97.8	Very high	98.2	Very high	140 Å²	140	30.3 Å²	30.3	61%	0.609	15%	0.15	S	C	*	.	H	α-helix	trans	-67.7	-50.1	173.5	-68.8	175.3	-179.3	175.7	0	111.9	A107 A108 L109 E113 E114 L140	A107-K111 WeakPolarHBondContact O-CG 3.45Å; A107-K111 PolarHBondContact O-N 3.35Å; A108-K111 PolarHBondContact O-N 3.36Å; L109-K111 VanDerWaalsContact C-N 3.27Å; L109-K111 PolarHBondContact O-N 3.4Å; K111-E113 VanDerWaalsContact C-N 3.29Å; K111-E113 PolarHBondContact O-N 3.04Å; K111-E114 PolarHBondContact O-N 3.01Å; K111-L140 HydrophobicContact CD-CD2 4.45Å; K111-L140 HydrophobicContact CG-CD2 4.09Å
112	K	97.4	Very high	98.2	Very high	123 Å²	123	32.7 Å²	32.7	54%	0.535	16%	0.16	S	C	.	.	H	α-helix	trans	-61.5	-36.3	-178.6	-179.8	170.4	-177.3	158.5	0	113.2	A108 L109 M207 L212	A108-K112 WeakPolarHBondContact O-CB 3.49Å; A108-K112 PolarHBondContact O-N 3.4Å; L109-K112 PolarHBondContact O-N 3.22Å; K112-M207 HydrophobicContact CD-CE 3.98Å; K112-L212 HydrophobicContact CD-CD2 4.1Å
113	E	97.2	Very high	98.2	Very high	26 Å²	26	34 Å²	34	12%	0.121	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	1.8	-178.8	-69.6	-72.1	-177.6	0	0	112.7	R3 L5 R83 I85 L109 K111 A115	R3-E113 VanDerWaalsContact CD-O 3.31Å; R3-E113 WeakPolarHBondContact CD-O 3.47Å; R3-E113 IonicContact CZ-OE2 2.75Å; R3-E113 IonicContact NE-OE2 2.73Å; R3-E113 PolarHBondContact NH1-O 2.95Å; R3-E113 IonicContact NH1-OE2 3.55Å; R3-E113 PolarHBondContact NH1-OE2 3.28Å; L5-E113 HydrophobicContact CD2-CB 4.13Å; L5-E113 HydrophobicContact CD2-CG 4.27Å; R83-E113 IonicContact CZ-OE1 2.6Å; R83-E113 IonicContact CZ-OE2 3.18Å; R83-E113 IonicContact NH1-OE1 3.96Å; R83-E113 PolarHBondContact NH1-OE1 3.36Å; R83-E113 IonicContact NH1-OE2 2.78Å; R83-E113 VanDerWaalsContact NH2-CD 3.33Å; R83-E113 IonicContact NH2-OE1 2.7Å; R83-E113 PolarHBondContact NH2-OE1 3.08Å; R83-E113 IonicContact NH2-OE2 2.78Å; R83-E113 PolarHBondContact NH2-OE2 3.42Å; I85-E113 HydrophobicContact CD1-CG 4.23Å; L109-E113 WeakPolarHBondContact O-CB 3.38Å; L109-E113 WeakPolarHBondContact O-CG 3.17Å; L109-E113 PolarHBondContact O-N 2.95Å; K111-E113 VanDerWaalsContact C-N 3.29Å; K111-E113 PolarHBondContact O-N 3.04Å; E113-A115 PolarHBondContact O-N 3.31Å
114	E	96.8	Very high	98.2	Very high	162 Å²	162	34.5 Å²	34.5	76%	0.757	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.7	44	-176.7	-58.1	177.5	-175.8	0	0	111.8	A110 K111	A110-E114 PolarHBondContact O-N 2.9Å; A110-E114 VanDerWaalsContact O-N 3.14Å; K111-E114 PolarHBondContact O-N 3.01Å
115	A	97.6	Very high	98.2	Very high	6 Å²	6	33.9 Å²	33.9	5%	0.05	17%	0.169	C	C	.	.			trans	-67.3	138.8	-176.6	0	0	0	0	0	110.6	R3 L5 A110 E113 W142	R3-A115 CarbonylContact O-C 3.5Å; R3-A115 WeakPolarHBondContact O-CA 3.22Å; L5-A115 HydrophobicContact CD1-CB 4.15Å; L5-A115 HydrophobicContact CG-CB 3.81Å; A110-A115 HydrophobicContact CB-CB 4.23Å; A110-A115 PolarHBondContact O-N 3.08Å; E113-A115 PolarHBondContact O-N 3.31Å; A115-W142 WeakPolarHBondContact O-CH2 3.48Å
116	S	96.9	Very high	98.1	Very high	27 Å²	27	37.9 Å²	37.9	19%	0.189	19%	0.191	C	C	.	.	S	Bend	trans	-94.3	-14.6	172.4	57.5	0	0	0	0	112.6	S2 R3 P176 A177	S2-S116 WeakPolarHBondContact CA-OG 3.41Å; S2-S116 VanDerWaalsContact CB-OG 3.3Å; S2-S116 WeakPolarHBondContact CB-OG 3.44Å; R3-S116 PolarHBondContact N-OG 2.96Å; R3-S116 PolarHBondContact O-N 3.36Å; R3-S116 PolarHBondContact O-OG 2.93Å; S116-P176 VanDerWaalsContact O-CA 3.23Å; S116-P176 WeakPolarHBondContact O-CA 3.29Å; S116-A177 PolarHBondContact O-N 3.02Å
117	L	98	Very high	98	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	141.4	178.5	-160.7	64.8	0	0	0	109.3	V4 L5 L50 I119 A177 L179	V4-L117 WeakPolarHBondContact CA-O 3.35Å; V4-L117 HydrophobicContact CB-CB 4.41Å; V4-L117 HydrophobicContact CG1-CB 4.23Å; V4-L117 HydrophobicContact CG2-CB 3.58Å; V4-L117 HydrophobicContact CG2-CD2 4.26Å; L5-L117 PolarHBondContact N-O 3.25Å; L50-L117 HydrophobicContact CD1-CD2 4.42Å; L117-I119 HydrophobicContact CD2-CD1 3.71Å; L117-I119 HydrophobicContact CD2-CG1 3.73Å; L117-I119 HydrophobicContact CG-CD1 4.43Å; L117-I119 HydrophobicContact CG-CG1 3.9Å; L117-A177 WeakPolarHBondContact CA-O 3.42Å; L117-A177 HydrophobicContact CD1-CB 3.89Å; L117-A177 WeakPolarHBondContact CD1-O 3.49Å; L117-L179 HydrophobicContact CD1-CD1 3.99Å; L117-L179 HydrophobicContact CD1-CG 3.9Å; L117-L179 HydrophobicContact CD2-CD1 3.98Å; L117-L179 HydrophobicContact CG-CD1 4.32Å; L117-L179 HydrophobicContact CG-CG 4.45Å
118	V	98.8	Very high	98	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	124.2	164.3	-178.4	0	0	0	0	107.5	L5 F106 A110 L120 W142 A177 V178 L179	L5-V118 HydrophobicContact CB-CG2 4.32Å; L5-V118 CarbonylContact O-C 3.59Å; L5-V118 WeakPolarHBondContact O-CA 3.4Å; F106-V118 HydrophobicContact CD1-CG1 3.85Å; F106-V118 HydrophobicContact CE1-CG1 4.39Å; A110-V118 HydrophobicContact CB-CG2 4.03Å; V118-L120 HydrophobicContact CG1-CD1 4.08Å; V118-L120 HydrophobicContact CG1-CD2 4.26Å; V118-L120 HydrophobicContact CG1-CG 3.96Å; V118-W142 HydrophobicContact CG2-CZ3 4.05Å; V118-A177 PolarHBondContact N-O 2.97Å; V118-V178 HydrophobicContact CB-CG1 4.31Å; V118-V178 HydrophobicContact CB-CG2 4.24Å; V118-V178 CarbonylContact O-C 3.42Å; V118-V178 WeakPolarHBondContact O-CA 3.36Å; V118-L179 PolarHBondContact O-N 3.16Å
119	I	98.8	Very high	98	Very high	2 Å²	2	45 Å²	45	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	125.8	176	-49.5	179.8	0	0	0	108.8	V4 L5 V6 G7 A43 A47 L50 L117 L179	V4-I119 HydrophobicContact CG1-CD1 3.99Å; V4-I119 HydrophobicContact CG1-CG1 3.91Å; L5-I119 PolarHBondContact O-N 3.01Å; V6-I119 VanDerWaalsContact CA-O 3.3Å; V6-I119 WeakPolarHBondContact CA-O 3.41Å; V6-I119 HydrophobicContact CG2-CB 4.17Å; V6-I119 WeakPolarHBondContact CG2-O 3.3Å; G7-I119 PolarHBondContact N-O 3.43Å; A43-I119 HydrophobicContact CB-CG2 3.74Å; A47-I119 HydrophobicContact CB-CD1 4.13Å; L50-I119 HydrophobicContact CD1-CD1 4.22Å; L117-I119 HydrophobicContact CD2-CD1 3.71Å; L117-I119 HydrophobicContact CD2-CG1 3.73Å; L117-I119 HydrophobicContact CG-CD1 4.43Å; L117-I119 HydrophobicContact CG-CG1 3.9Å; I119-L179 WeakPolarHBondContact CA-O 3.22Å; I119-L179 HydrophobicContact CG1-CB 4.42Å; I119-L179 HydrophobicContact CG2-CB 4.43Å
120	L	98.9	Very high	98	Very high	9 Å²	9	46.4 Å²	46.4	5%	0.047	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	162.9	-177.9	-61.9	162.9	0	0	0	109.5	F106 V118 T132 V178 L179 T180 A181	F106-L120 HydrophobicContact CD1-CD2 4.22Å; F106-L120 HydrophobicContact CE1-CD2 3.83Å; F106-L120 HydrophobicContact CE2-CD2 4.2Å; F106-L120 HydrophobicContact CZ-CD2 3.84Å; V118-L120 HydrophobicContact CG1-CD1 4.08Å; V118-L120 HydrophobicContact CG1-CD2 4.26Å; V118-L120 HydrophobicContact CG1-CG 3.96Å; L120-T132 HydrophobicContact CD1-CG2 4.47Å; L120-V178 HydrophobicContact CD1-CG1 4.15Å; L120-L179 PolarHBondContact N-O 3.2Å; L120-T180 HydrophobicContact CB-CG2 4.45Å; L120-T180 CarbonylContact O-C 3.56Å; L120-T180 VanDerWaalsContact O-CA 3.27Å; L120-T180 WeakPolarHBondContact O-CA 3.48Å; L120-A181 PolarHBondContact O-N 2.68Å
121	G	98.6	Very high	98	Very high	11 Å²	11	50.5 Å²	50.5	11%	0.113	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	149.8	162.7	0	0	0	0	0	110.6	Q123	G121-Q123 VanDerWaalsContact C-N 3.31Å; G121-Q123 PolarHBondContact O-N 2.81Å
122	K	98.3	Very high	98.1	Very high	54 Å²	54	45.3 Å²	45.3	24%	0.235	23%	0.233	C	C	.	.	S	Bend	trans	-46.7	-53.1	170.3	160.8	-177.8	169.5	176.9	0	112.4	F39 N130 F147 A181 D182	F39-K122 HydrophobicContact CD1-CB 3.81Å; F39-K122 HydrophobicContact CD1-CD 4.43Å; F39-K122 HydrophobicContact CE1-CB 4.06Å; F39-K122 HydrophobicContact CE1-CD 3.82Å; F39-K122 HydrophobicContact CE1-CG 4.33Å; F39-K122 HydrophobicContact CG-CB 4.37Å; F39-K122 HydrophobicContact CZ-CD 4.32Å; K122-N130 WeakPolarHBondContact CG-OD1 3.49Å; K122-N130 PolarHBondContact O-OD1 3.42Å; K122-F147 HydrophobicContact CB-CD1 4.47Å; K122-F147 HydrophobicContact CD-CD1 3.82Å; K122-F147 HydrophobicContact CD-CE1 4.12Å; K122-F147 HydrophobicContact CG-CD1 3.78Å; K122-F147 HydrophobicContact CG-CE1 3.87Å; K122-A181 WeakPolarHBondContact CB-O 3.31Å; K122-A181 PolarHBondContact N-O 2.73Å; K122-D182 IonicContact NZ-OD2 3.18Å
123	Q	98.6	Very high	98.1	Very high	48 Å²	48	39.6 Å²	39.6	22%	0.224	21%	0.209	C	C	.	.			trans	-148.2	167.5	179.7	68.1	-171.6	3.1	0	0	110.1	N37 F39 G121 N130	N37-Q123 PolarHBondContact ND2-O 3.41Å; F39-Q123 HydrophobicContact CD2-CG 3.99Å; F39-Q123 WeakPolarHBondContact CD2-O 3.47Å; F39-Q123 HydrophobicContact CE2-CG 3.54Å; F39-Q123 HydrophobicContact CZ-CG 3.97Å; G121-Q123 VanDerWaalsContact C-N 3.31Å; G121-Q123 PolarHBondContact O-N 2.81Å; Q123-N130 HydrophobicContact CB-CB 3.96Å
124	A	98.5	Very high	98.2	Very high	10 Å²	10	40.6 Å²	40.6	8%	0.083	21%	0.214	C	C	.	.			trans	-103.5	135.5	166.6	0	0	0	0	0	109.4	K9 D126 D128	K9-A124 HydrophobicContact CD-CB 3.55Å; A124-D126 WeakPolarHBondContact CB-OD1 3.27Å; A124-D126 PolarHBondContact O-N 3.03Å; A124-D126 VanDerWaalsContact O-N 3.16Å; A124-D128 VanDerWaalsContact O-CA 3.29Å; A124-D128 WeakPolarHBondContact O-CA 3.43Å; A124-D128 PolarHBondContact O-N 3.31Å
125	I	98.3	Very high	98.3	Very high	51 Å²	51	35.8 Å²	35.8	26%	0.262	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-5.5	-173	60.8	170.2	0	0	0	114.8	V11 N37 P38 F39	V11-I125 HydrophobicContact CB-CG1 4.22Å; V11-I125 HydrophobicContact CG2-CD1 3.83Å; V11-I125 HydrophobicContact CG2-CG1 3.74Å; N37-I125 PolarHBondContact OD1-N 3.29Å; P38-I125 HydrophobicContact CG-CD1 4.48Å; F39-I125 HydrophobicContact CD2-CG2 4.37Å; F39-I125 HydrophobicContact CE2-CG2 4.07Å
126	D	97.3	Very high	98.4	Very high	84 Å²	84	35.5 Å²	35.5	45%	0.449	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-39.9	179.9	57.4	-20.1	0	0	0	112.4	K9 V11 A124	K9-D126 WeakPolarHBondContact CE-OD2 3.3Å; K9-D126 IonicContact NZ-OD1 2.83Å; K9-D126 PolarHBondContact NZ-OD1 3.3Å; K9-D126 IonicContact NZ-OD2 2.84Å; K9-D126 PolarHBondContact NZ-OD2 2.93Å; V11-D126 HydrophobicContact CB-CB 4.37Å; V11-D126 HydrophobicContact CG1-CB 4.29Å; V11-D126 WeakPolarHBondContact CG1-OD2 3.35Å; A124-D126 WeakPolarHBondContact CB-OD1 3.27Å; A124-D126 PolarHBondContact O-N 3.03Å; A124-D126 VanDerWaalsContact O-N 3.16Å
127	D	97	Very high	98.5	Very high	54 Å²	54	34.2 Å²	34.2	29%	0.289	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-15.7	177.7	65.1	36.5	0	0	0	114.1	K9 C129	K9-D127 IonicContact NZ-OD2 3.7Å; K9-D127 PolarHBondContact NZ-OD2 3.27Å; D127-C129 PolarHBondContact O-N 2.99Å; D127-C129 PolarHBondContact O-SG 3.04Å; D127-C129 WeakPolarHBondContact OD1-CB 3.4Å; D127-C129 PolarHBondContact OD1-N 3.4Å
128	D	98.1	Very high	98.5	Very high	97 Å²	97	37.7 Å²	37.7	52%	0.519	21%	0.21	S	C	.	.			trans	43.7	29.2	-176.2	-79.9	-39.1	0	0	0	114.3	A124	A124-D128 VanDerWaalsContact O-CA 3.29Å; A124-D128 WeakPolarHBondContact O-CA 3.43Å; A124-D128 PolarHBondContact O-N 3.31Å
129	C	98.3	Very high	98.5	Very high	38 Å²	38	41.4 Å²	41.4	26%	0.257	23%	0.229	S	C	.	.			trans	-75.8	-33.8	-167.3	-82.4	0	0	0	0	113.2	P99 D127 Q131	P99-C129 HydrophobicContact CG-CB 3.69Å; D127-C129 PolarHBondContact O-N 2.99Å; D127-C129 PolarHBondContact O-SG 3.04Å; D127-C129 WeakPolarHBondContact OD1-CB 3.4Å; D127-C129 PolarHBondContact OD1-N 3.4Å; C129-Q131 VanDerWaalsContact C-N 3.29Å; C129-Q131 HydrophobicContact CB-CB 4.28Å; C129-Q131 HydrophobicContact CB-CG 4.34Å; C129-Q131 VanDerWaalsContact O-CG 3.23Å; C129-Q131 WeakPolarHBondContact O-CG 3.47Å; C129-Q131 PolarHBondContact O-N 3.44Å; C129-Q131 PolarHBondContact O-NE2 3.29Å
130	N	98.8	Very high	98.5	Very high	30 Å²	30	42 Å²	42	16%	0.16	23%	0.233	C	C	.	.			trans	48.7	49.1	-175.1	-163.1	94.5	0	0	0	112.3	K122 Q123 Q134 F147	K122-N130 WeakPolarHBondContact CG-OD1 3.49Å; K122-N130 PolarHBondContact O-OD1 3.42Å; Q123-N130 HydrophobicContact CB-CB 3.96Å; N130-Q134 PolarHBondContact ND2-NE2 3.41Å; N130-Q134 PolarHBondContact O-NE2 2.87Å; N130-F147 WeakPolarHBondContact ND2-CE1 3.37Å; N130-F147 WeakPolarHBondContact OD1-CE1 3.43Å
131	Q	98.7	Very high	98.5	Very high	88 Å²	88	48.8 Å²	48.8	41%	0.411	27%	0.269	S	S	.	.			trans	-128	-40.7	-170.6	-81.4	157.7	29.2	0	0	113.7	P99 C129 G133 Q134 M135	P99-Q131 HydrophobicContact CB-CB 3.68Å; P99-Q131 HydrophobicContact CG-CB 4.03Å; C129-Q131 VanDerWaalsContact C-N 3.29Å; C129-Q131 HydrophobicContact CB-CB 4.28Å; C129-Q131 HydrophobicContact CB-CG 4.34Å; C129-Q131 VanDerWaalsContact O-CG 3.23Å; C129-Q131 WeakPolarHBondContact O-CG 3.47Å; C129-Q131 PolarHBondContact O-N 3.44Å; C129-Q131 PolarHBondContact O-NE2 3.29Å; Q131-G133 VanDerWaalsContact C-N 3.29Å; Q131-G133 PolarHBondContact O-N 2.82Å; Q131-G133 VanDerWaalsContact O-N 3.14Å; Q131-Q134 PolarHBondContact O-N 3.16Å; Q131-Q134 VanDerWaalsContact O-N 3.12Å; Q131-Q134 PolarHBondContact O-OE1 3.27Å; Q131-M135 HydrophobicContact CB-CG 4.5Å; Q131-M135 HydrophobicContact CB-SD 4.14Å; Q131-M135 WeakPolarHBondContact O-CG 3.32Å; Q131-M135 PolarHBondContact O-N 2.65Å
132	T	98.8	Very high	98.5	Very high	30 Å²	30	50.6 Å²	50.6	18%	0.184	27%	0.272	C	S	.	.	H	α-helix	trans	-51.4	-45.4	-168.3	-54.9	0	0	0	0	112.9	I102 L120 M135 T136	I102-T132 HydrophobicContact CB-CG2 4.04Å; I102-T132 HydrophobicContact CG2-CG2 3.5Å; I102-T132 VanDerWaalsContact CG2-CG2 3.5Å; L120-T132 HydrophobicContact CD1-CG2 4.47Å; T132-M135 PolarHBondContact O-N 2.9Å; T132-T136 WeakPolarHBondContact O-CB 3.47Å; T132-T136 PolarHBondContact O-N 2.82Å; T132-T136 PolarHBondContact O-OG1 2.88Å
133	G	98.8	Very high	98.5	Very high	3 Å²	3	50.4 Å²	50.4	3%	0.031	28%	0.277	C	S	.	.	H	α-helix	trans	-65.9	-44.3	-178.1	0	0	0	0	0	113.8	Q131 M135 T136 A137 V178	Q131-G133 VanDerWaalsContact C-N 3.29Å; Q131-G133 PolarHBondContact O-N 2.82Å; Q131-G133 VanDerWaalsContact O-N 3.14Å; G133-M135 VanDerWaalsContact C-N 3.34Å; G133-M135 PolarHBondContact O-N 3.07Å; G133-T136 PolarHBondContact O-N 2.88Å; G133-A137 PolarHBondContact O-N 2.9Å; G133-V178 WeakPolarHBondContact O-CG1 3.15Å
134	Q	98.8	Very high	98.5	Very high	48 Å²	48	51.6 Å²	51.6	22%	0.224	28%	0.282	C	S	.	.	H	α-helix	trans	-67.2	-38.2	178.3	-54.8	97.8	-77.2	0	0	111.4	N130 Q131 A137 A138 T146	N130-Q134 PolarHBondContact ND2-NE2 3.41Å; N130-Q134 PolarHBondContact O-NE2 2.87Å; Q131-Q134 PolarHBondContact O-N 3.16Å; Q131-Q134 VanDerWaalsContact O-N 3.12Å; Q131-Q134 PolarHBondContact O-OE1 3.27Å; Q134-A137 PolarHBondContact O-N 3.21Å; Q134-A138 WeakPolarHBondContact O-CB 3.44Å; Q134-A138 PolarHBondContact O-N 3.21Å; Q134-T146 HydrophobicContact CG-CG2 3.73Å
135	M	98.8	Very high	98.5	Very high	60 Å²	60	51.1 Å²	51.1	30%	0.296	28%	0.278	S	S	.	.	H	α-helix	trans	-66	-41.5	175.2	-64.7	-175.5	95.4	0	0	111.6	P99 L100 A103 Q131 T132 G133 A137 A138 L139	P99-M135 HydrophobicContact CB-SD 3.94Å; L100-M135 HydrophobicContact CB-CE 3.81Å; L100-M135 HydrophobicContact CB-SD 4.42Å; L100-M135 HydrophobicContact CD1-CE 3.59Å; L100-M135 HydrophobicContact CG-CE 4.23Å; A103-M135 HydrophobicContact CB-CB 3.48Å; A103-M135 VanDerWaalsContact CB-CB 3.48Å; Q131-M135 HydrophobicContact CB-CG 4.5Å; Q131-M135 HydrophobicContact CB-SD 4.14Å; Q131-M135 WeakPolarHBondContact O-CG 3.32Å; Q131-M135 PolarHBondContact O-N 2.65Å; T132-M135 PolarHBondContact O-N 2.9Å; G133-M135 VanDerWaalsContact C-N 3.34Å; G133-M135 PolarHBondContact O-N 3.07Å; M135-A137 VanDerWaalsContact C-N 3.34Å; M135-A137 PolarHBondContact O-N 2.77Å; M135-A138 PolarHBondContact O-N 3.36Å; M135-L139 WeakPolarHBondContact O-CB 3.26Å; M135-L139 VanDerWaalsContact O-CG 3.26Å; M135-L139 WeakPolarHBondContact O-CG 3.48Å; M135-L139 PolarHBondContact O-N 3.01Å
136	T	98.9	Very high	98.5	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.8	-44.6	174.7	-64.8	0	0	0	0	111.1	A103 F106 T132 G133 L139 L140 V178	A103-T136 WeakPolarHBondContact CA-OG1 3.43Å; F106-T136 HydrophobicContact CB-CG2 3.81Å; T132-T136 WeakPolarHBondContact O-CB 3.47Å; T132-T136 PolarHBondContact O-N 2.82Å; T132-T136 PolarHBondContact O-OG1 2.88Å; G133-T136 PolarHBondContact O-N 2.88Å; T136-L139 PolarHBondContact O-N 3.47Å; T136-L140 HydrophobicContact CG2-CD1 3.83Å; T136-L140 WeakPolarHBondContact O-CB 3.39Å; T136-L140 WeakPolarHBondContact O-CG 3.32Å; T136-L140 PolarHBondContact O-N 3.14Å; T136-L140 VanDerWaalsContact O-N 3.08Å; T136-V178 HydrophobicContact CG2-CG2 4.18Å
137	A	98.8	Very high	98.6	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.008	26%	0.258	C	S	.	.	H	α-helix	trans	-59.4	-47.6	177.1	0	0	0	0	0	111.6	G133 Q134 M135 L139 L140 D141 W142 Q144 V178	G133-A137 PolarHBondContact O-N 2.9Å; Q134-A137 PolarHBondContact O-N 3.21Å; M135-A137 VanDerWaalsContact C-N 3.34Å; M135-A137 PolarHBondContact O-N 2.77Å; A137-L139 PolarHBondContact O-N 3.31Å; A137-L140 PolarHBondContact O-N 3.13Å; A137-D141 PolarHBondContact O-N 3.14Å; A137-W142 PolarHBondContact O-N 3.29Å; A137-Q144 HydrophobicContact CB-CB 3.82Å; A137-V178 HydrophobicContact CB-CB 3.91Å; A137-V178 HydrophobicContact CB-CG2 3.85Å
138	A	98.8	Very high	98.6	Very high	74 Å²	74	45 Å²	45	61%	0.612	24%	0.244	S	C	*	.	H	α-helix	trans	-62.4	-42.3	178.4	0	0	0	0	0	112.8	Q134 M135 L140 D141	Q134-A138 WeakPolarHBondContact O-CB 3.44Å; Q134-A138 PolarHBondContact O-N 3.21Å; M135-A138 PolarHBondContact O-N 3.36Å; A138-L140 VanDerWaalsContact C-N 3.27Å; A138-L140 PolarHBondContact O-N 3.25Å; A138-D141 PolarHBondContact O-N 3.49Å
139	L	98.6	Very high	98.7	Very high	77 Å²	77	41.3 Å²	41.3	40%	0.403	23%	0.226	S	C	.	.	H	α-helix	trans	-68.8	-25.6	178.8	-71.5	170.2	0	0	0	113.6	A103 K104 A107 M135 T136 A137	A103-L139 HydrophobicContact CB-CD1 3.84Å; K104-L139 HydrophobicContact CB-CD1 4.48Å; K104-L139 HydrophobicContact CG-CD1 3.92Å; A107-L139 HydrophobicContact CB-CB 3.94Å; M135-L139 WeakPolarHBondContact O-CB 3.26Å; M135-L139 VanDerWaalsContact O-CG 3.26Å; M135-L139 WeakPolarHBondContact O-CG 3.48Å; M135-L139 PolarHBondContact O-N 3.01Å; T136-L139 PolarHBondContact O-N 3.47Å; A137-L139 PolarHBondContact O-N 3.31Å
140	L	98.6	Very high	98.7	Very high	15 Å²	15	44.2 Å²	44.2	8%	0.079	24%	0.236	C	C	.	.	H	α-helix	trans	-89.8	-12.2	175.7	-73.1	173.7	0	0	0	113.2	A107 A110 K111 T136 A137 A138 W142 V178	A107-L140 HydrophobicContact CB-CD2 3.85Å; A107-L140 HydrophobicContact CB-CG 3.87Å; A107-L140 WeakPolarHBondContact O-CD2 3.47Å; A110-L140 HydrophobicContact CB-CD1 3.78Å; A110-L140 HydrophobicContact CB-CD2 4.2Å; K111-L140 HydrophobicContact CD-CD2 4.45Å; K111-L140 HydrophobicContact CG-CD2 4.09Å; T136-L140 HydrophobicContact CG2-CD1 3.83Å; T136-L140 WeakPolarHBondContact O-CB 3.39Å; T136-L140 WeakPolarHBondContact O-CG 3.32Å; T136-L140 PolarHBondContact O-N 3.14Å; T136-L140 VanDerWaalsContact O-N 3.08Å; A137-L140 PolarHBondContact O-N 3.13Å; A138-L140 VanDerWaalsContact C-N 3.27Å; A138-L140 PolarHBondContact O-N 3.25Å; L140-W142 HydrophobicContact CB-CB 4.09Å; L140-W142 HydrophobicContact CB-CD2 3.79Å; L140-W142 HydrophobicContact CB-CE3 4.48Å; L140-W142 HydrophobicContact CB-CG 3.6Å; L140-W142 HydrophobicContact CD1-CD2 3.78Å; L140-W142 HydrophobicContact CD1-CE3 3.64Å; L140-W142 HydrophobicContact CD1-CG 4.41Å; L140-W142 HydrophobicContact CD1-CH2 4.1Å; L140-W142 HydrophobicContact CD1-CZ2 4.23Å; L140-W142 HydrophobicContact CD1-CZ3 3.83Å; L140-W142 HydrophobicContact CD2-CZ2 4.4Å; L140-W142 HydrophobicContact CG-CD2 4.33Å; L140-W142 PolarHBondContact O-NE1 2.88Å; L140-V178 HydrophobicContact CD1-CG2 4.46Å
141	D	98.6	Very high	98.6	Very high	152 Å²	152	43.2 Å²	43.2	81%	0.813	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	42.6	-165.1	-162.9	35.7	0	0	0	111.9	A137 A138	A137-D141 PolarHBondContact O-N 3.14Å; A138-D141 PolarHBondContact O-N 3.49Å
142	W	98.6	Very high	98.6	Very high	48 Å²	48	41.8 Å²	41.8	18%	0.182	23%	0.228	C	C	.	.			trans	-105.8	146.9	-179.8	-72.2	7	0	0	0	111.1	A110 A115 V118 A137 L140 P176 V178	A110-W142 HydrophobicContact CB-CH2 3.91Å; A110-W142 HydrophobicContact CB-CZ3 4.32Å; A115-W142 WeakPolarHBondContact O-CH2 3.48Å; V118-W142 HydrophobicContact CG2-CZ3 4.05Å; A137-W142 PolarHBondContact O-N 3.29Å; L140-W142 HydrophobicContact CB-CB 4.09Å; L140-W142 HydrophobicContact CB-CD2 3.79Å; L140-W142 HydrophobicContact CB-CE3 4.48Å; L140-W142 HydrophobicContact CB-CG 3.6Å; L140-W142 HydrophobicContact CD1-CD2 3.78Å; L140-W142 HydrophobicContact CD1-CE3 3.64Å; L140-W142 HydrophobicContact CD1-CG 4.41Å; L140-W142 HydrophobicContact CD1-CH2 4.1Å; L140-W142 HydrophobicContact CD1-CZ2 4.23Å; L140-W142 HydrophobicContact CD1-CZ3 3.83Å; L140-W142 HydrophobicContact CD2-CZ2 4.4Å; L140-W142 HydrophobicContact CG-CD2 4.33Å; L140-W142 PolarHBondContact O-NE1 2.88Å; W142-P176 HydrophobicContact CD2-CB 3.73Å; W142-P176 HydrophobicContact CD2-CG 3.84Å; W142-P176 HydrophobicContact CE3-CB 3.77Å; W142-P176 HydrophobicContact CE3-CG 4.4Å; W142-P176 HydrophobicContact CG-CG 4.3Å; W142-P176 HydrophobicContact CH2-CB 3.6Å; W142-P176 HydrophobicContact CH2-CG 4.23Å; W142-P176 HydrophobicContact CZ2-CB 3.54Å; W142-P176 HydrophobicContact CZ2-CG 3.64Å; W142-P176 HydrophobicContact CZ3-CB 3.69Å; W142-V178 HydrophobicContact CB-CG2 4.42Å; W142-V178 HydrophobicContact CE3-CG2 4.08Å
143	P	98.6	Very high	98.4	Very high	50 Å²	50	41.1 Å²	41.1	33%	0.325	22%	0.223	S	C	.	.			trans	-64.6	153.2	170.3	30.4	-36.5	0	0	0	111.1	I173 S174 P176 A177 V178	P143-I173 HydrophobicContact CB-CB 3.81Å; P143-I173 HydrophobicContact CB-CD1 4.4Å; P143-I173 HydrophobicContact CB-CG2 4.05Å; P143-I173 HydrophobicContact CG-CB 4.11Å; P143-S174 WeakPolarHBondContact CG-O 3.38Å; P143-P176 WeakPolarHBondContact CD-O 3.23Å; P143-A177 HydrophobicContact CG-CB 4.17Å; P143-A177 WeakPolarHBondContact O-CA 3.38Å; P143-V178 PolarHBondContact O-N 3.4Å
144	Q	98.7	Very high	98.1	Very high	73 Å²	73	45.2 Å²	45.2	34%	0.341	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	144.9	-177	66.5	-175.1	-86.4	0	0	112.9	A137 T146 V178	A137-Q144 HydrophobicContact CB-CB 3.82Å; Q144-T146 HydrophobicContact CG-CG2 4.5Å; Q144-V178 CarbonylContact C-O 3.56Å; Q144-V178 WeakPolarHBondContact CA-O 3.41Å
145	G	98.4	Very high	97.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	89	169.6	0	0	0	0	0	110	V178 L179 T180	G145-V178 PolarHBondContact N-O 2.77Å; G145-L179 WeakPolarHBondContact O-CA 3.35Å; G145-T180 PolarHBondContact O-N 3.31Å
146	T	98.8	Very high	97.5	Very high	8 Å²	8	50.7 Å²	50.7	5%	0.049	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	154.2	-178.2	55.2	0	0	0	0	112.2	Q134 Q144 A148 R162 T180	Q134-T146 HydrophobicContact CG-CG2 3.73Å; Q144-T146 HydrophobicContact CG-CG2 4.5Å; T146-A148 PolarHBondContact O-N 2.69Å; T146-R162 VanDerWaalsContact O-CG 3.28Å; T146-R162 WeakPolarHBondContact O-CG 3.21Å; T146-R162 PolarHBondContact O-NE 2.95Å; T146-R162 PolarHBondContact OG1-NH2 2.91Å; T146-T180 VanDerWaalsContact CA-OG1 3.23Å; T146-T180 WeakPolarHBondContact CA-OG1 3.16Å; T146-T180 WeakPolarHBondContact CB-OG1 3.16Å; T146-T180 HydrophobicContact CG2-CG2 4.2Å
147	F	98.6	Very high	97.4	Very high	53 Å²	53	55.2 Å²	55.2	23%	0.232	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	57.8	36.8	179.1	-42.2	-48.9	0	0	0	112.6	K122 N130 S149 R162 E163 T180	K122-F147 HydrophobicContact CB-CD1 4.47Å; K122-F147 HydrophobicContact CD-CD1 3.82Å; K122-F147 HydrophobicContact CD-CE1 4.12Å; K122-F147 HydrophobicContact CG-CD1 3.78Å; K122-F147 HydrophobicContact CG-CE1 3.87Å; N130-F147 WeakPolarHBondContact ND2-CE1 3.37Å; N130-F147 WeakPolarHBondContact OD1-CE1 3.43Å; F147-S149 PolarHBondContact O-N 3.5Å; F147-R162 WeakPolarHBondContact O-CA 3.37Å; F147-E163 HydrophobicContact CB-CB 4.3Å; F147-E163 WeakPolarHBondContact CB-O 3.34Å; F147-E163 PolarHBondContact O-N 3.25Å; F147-T180 PolarHBondContact N-O 3.36Å; F147-T180 PolarHBondContact N-OG1 3.49Å; F147-T180 VanDerWaalsContact N-OG1 3.11Å
148	A	98.8	Very high	97.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	124.6	-176.5	0	0	0	0	0	110.6	T146 V151 V160 V161 T180 D182 L185	T146-A148 PolarHBondContact O-N 2.69Å; A148-V151 HydrophobicContact CB-CG2 3.95Å; A148-V160 HydrophobicContact CB-CG1 3.55Å; A148-V161 CarbonylContact C-O 3.54Å; A148-V161 WeakPolarHBondContact CA-O 3.28Å; A148-T180 WeakPolarHBondContact CB-O 3.35Å; A148-T180 PolarHBondContact N-O 2.92Å; A148-D182 WeakPolarHBondContact O-CB 3.31Å; A148-D182 PolarHBondContact O-N 2.85Å; A148-L185 WeakPolarHBondContact O-CB 3.41Å
149	S	98.4	Very high	97.3	Very high	19 Å²	19	56 Å²	56	13%	0.133	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	-11.3	169	54.5	0	0	0	0	113.2	F147 V161 E163 L185	F147-S149 PolarHBondContact O-N 3.5Å; S149-V161 PolarHBondContact N-O 3.44Å; S149-V161 PolarHBondContact OG-O 3.3Å; S149-E163 VanDerWaalsContact CB-OE1 3.26Å; S149-E163 WeakPolarHBondContact CB-OE1 3.36Å; S149-E163 PolarHBondContact OG-OE1 3.26Å; S149-L185 VanDerWaalsContact C-CD1 3.5Å; S149-L185 WeakPolarHBondContact O-CA 3.46Å
150	E	98.6	Very high	97.3	Very high	100 Å²	100	52.3 Å²	52.3	47%	0.467	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	141	165.5	-166.2	-170.5	125.4	0	0	110.3	V160 V161	E150-V160 WeakPolarHBondContact O-CA 3.37Å; E150-V161 HydrophobicContact CB-CB 3.76Å; E150-V161 HydrophobicContact CB-CG2 3.81Å; E150-V161 PolarHBondContact N-O 3.47Å; E150-V161 PolarHBondContact O-N 3.37Å
151	V	98.1	Very high	97.3	Very high	8 Å²	8	52.3 Å²	52.3	5%	0.048	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	125.5	176.6	178.1	0	0	0	0	110.1	E46 L50 A148 V158 L179 L185	E46-V151 HydrophobicContact CG-CB 4.47Å; L50-V151 HydrophobicContact CD1-CG1 4.42Å; A148-V151 HydrophobicContact CB-CG2 3.95Å; V151-V158 HydrophobicContact CG1-CG2 3.58Å; V151-L179 HydrophobicContact CG1-CD1 3.79Å; V151-L179 HydrophobicContact CG2-CD1 3.97Å; V151-L185 HydrophobicContact CG2-CD1 3.95Å
152	T	97.4	Very high	97.3	Very high	58 Å²	58	47.2 Å²	47.2	36%	0.356	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	125.9	174.1	-64.5	0	0	0	0	110.2	K159	T152-K159 PolarHBondContact N-O 2.85Å; T152-K159 PolarHBondContact O-N 3.44Å
153	I	95.6	Very high	97.3	Very high	16 Å²	16	46.1 Å²	46.1	8%	0.082	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	126.8	173.7	-66	177	0	0	0	108.9	L50 F55 V158 M175	L50-I153 HydrophobicContact CD1-CD1 4.18Å; L50-I153 HydrophobicContact CD2-CD1 3.99Å; L50-I153 HydrophobicContact CD2-CG1 4.22Å; F55-I153 HydrophobicContact CB-CB 4.35Å; F55-I153 HydrophobicContact CB-CD1 3.69Å; F55-I153 HydrophobicContact CB-CG2 4.44Å; F55-I153 HydrophobicContact CD1-CB 4.03Å; F55-I153 HydrophobicContact CD1-CG2 3.94Å; F55-I153 HydrophobicContact CE1-CB 4.44Å; F55-I153 HydrophobicContact CG-CB 4.07Å; F55-I153 HydrophobicContact CG-CD1 4.3Å; F55-I153 HydrophobicContact CG-CG2 4.33Å; I153-V158 HydrophobicContact CG1-CG2 4.39Å; I153-M175 HydrophobicContact CG2-CE 3.92Å
154	D	92.4	Very high	97.3	Very high	89 Å²	89	47.2 Å²	47.2	48%	0.476	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	90.3	179.6	177.8	25.8	0	0	0	109.2	E156 K157 K172	D154-E156 PolarHBondContact O-N 3.29Å; D154-K157 CarbonylContact C-O 3.53Å; D154-K157 PolarHBondContact N-O 2.8Å; D154-K157 PolarHBondContact O-N 2.97Å; D154-K172 WeakPolarHBondContact OD2-CE 3.46Å; D154-K172 IonicContact OD2-NZ 2.64Å; D154-K172 PolarHBondContact OD2-NZ 3.16Å
155	G	90.8	Very high	97.2	Very high	62 Å²	62	52.5 Å²	52.5	64%	0.639	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	-119	-174.4	0	0	0	0	0	111.9	K157 M175	G155-K157 VanDerWaalsContact C-N 3.32Å; G155-M175 WeakPolarHBondContact O-CE 3.24Å
156	E	93.4	Very high	97.1	Very high	161 Å²	161	56.4 Å²	56.4	75%	0.752	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	1.3	179.1	-61.5	-177.2	166.4	0	0	113.4	D154 M175	D154-E156 PolarHBondContact O-N 3.29Å; E156-M175 WeakPolarHBondContact O-CB 3.24Å; E156-M175 PolarHBondContact O-N 3.24Å
157	K	96.6	Very high	97	Very high	95 Å²	95	57.5 Å²	57.5	41%	0.413	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	157.3	-179.6	-64.1	-176	177.6	-177.8	0	110.3	D154 G155 K172 I173	D154-K157 CarbonylContact C-O 3.53Å; D154-K157 PolarHBondContact N-O 2.8Å; D154-K157 PolarHBondContact O-N 2.97Å; G155-K157 VanDerWaalsContact C-N 3.32Å; K157-K172 HydrophobicContact CB-CD 4.36Å; K157-K172 HydrophobicContact CB-CG 4.01Å; K157-K172 HydrophobicContact CD-CD 4Å; K157-K172 HydrophobicContact CD-CG 4.09Å; K157-I173 CarbonylContact C-O 3.49Å; K157-I173 VanDerWaalsContact CA-O 3.24Å; K157-I173 WeakPolarHBondContact CA-O 3.38Å; K157-I173 WeakPolarHBondContact CB-O 3.49Å
158	V	97.1	Very high	97	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	128.2	169.2	62.1	0	0	0	0	108.9	V151 I153 V160 K172 I173 M175 A177 L179	V151-V158 HydrophobicContact CG1-CG2 3.58Å; I153-V158 HydrophobicContact CG1-CG2 4.39Å; V158-V160 HydrophobicContact CG1-CG2 4.29Å; V158-V160 HydrophobicContact CG2-CG2 4.06Å; V158-K172 WeakPolarHBondContact O-CA 3.27Å; V158-I173 HydrophobicContact CG1-CD1 3.82Å; V158-I173 HydrophobicContact CG1-CG1 3.31Å; V158-I173 PolarHBondContact N-O 3.23Å; V158-I173 PolarHBondContact O-N 3.35Å; V158-M175 HydrophobicContact CG1-CG 4.48Å; V158-A177 HydrophobicContact CG1-CB 4.35Å; V158-L179 HydrophobicContact CG1-CD2 4.45Å; V158-L179 HydrophobicContact CG2-CD1 4.38Å
159	K	98.4	Very high	97	Very high	92 Å²	92	63.9 Å²	63.9	40%	0.4	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	126.8	169.8	-175.4	-173.7	177.7	-166.7	0	107.6	T152 T170 I171	T152-K159 PolarHBondContact N-O 2.85Å; T152-K159 PolarHBondContact O-N 3.44Å; K159-T170 HydrophobicContact CD-CG2 4.25Å; K159-T170 HydrophobicContact CG-CG2 3.95Å; K159-I171 WeakPolarHBondContact CA-O 3.42Å
160	V	98.7	Very high	97	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	125.8	-178.2	-173.6	0	0	0	0	108.3	A148 E150 V158 R162 T170 I171 I173 L179	A148-V160 HydrophobicContact CB-CG1 3.55Å; E150-V160 WeakPolarHBondContact O-CA 3.37Å; V158-V160 HydrophobicContact CG1-CG2 4.29Å; V158-V160 HydrophobicContact CG2-CG2 4.06Å; V160-R162 HydrophobicContact CG1-CG 3.97Å; V160-T170 WeakPolarHBondContact O-CA 3.25Å; V160-I171 HydrophobicContact CB-CG1 4.01Å; V160-I171 PolarHBondContact N-O 3.3Å; V160-I171 PolarHBondContact O-N 2.86Å; V160-I173 HydrophobicContact CG2-CD1 4.43Å; V160-L179 HydrophobicContact CG2-CD2 3.66Å
161	V	98.7	Very high	97	Very high	14 Å²	14	63.9 Å²	63.9	9%	0.085	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	126.3	165.5	-174	0	0	0	0	107.2	A148 S149 E150 L168 E169	A148-V161 CarbonylContact C-O 3.54Å; A148-V161 WeakPolarHBondContact CA-O 3.28Å; S149-V161 PolarHBondContact N-O 3.44Å; S149-V161 PolarHBondContact OG-O 3.3Å; E150-V161 HydrophobicContact CB-CB 3.76Å; E150-V161 HydrophobicContact CB-CG2 3.81Å; E150-V161 PolarHBondContact N-O 3.47Å; E150-V161 PolarHBondContact O-N 3.37Å; V161-L168 HydrophobicContact CG1-CB 4.02Å; V161-L168 HydrophobicContact CG1-CD1 4.2Å; V161-L168 HydrophobicContact CG1-CD2 4.18Å; V161-L168 HydrophobicContact CG1-CG 4.37Å; V161-E169 CarbonylContact C-O 3.52Å; V161-E169 WeakPolarHBondContact CA-O 3.31Å
162	R	98.7	Very high	97	Very high	46 Å²	46	69 Å²	69	17%	0.174	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	141.5	-173	-56.2	175.1	60.4	-143	-1.5	110.2	T146 F147 V160 L168 E169 I171	T146-R162 VanDerWaalsContact O-CG 3.28Å; T146-R162 WeakPolarHBondContact O-CG 3.21Å; T146-R162 PolarHBondContact O-NE 2.95Å; T146-R162 PolarHBondContact OG1-NH2 2.91Å; F147-R162 WeakPolarHBondContact O-CA 3.37Å; V160-R162 HydrophobicContact CG1-CG 3.97Å; R162-L168 WeakPolarHBondContact O-CA 3.39Å; R162-E169 HydrophobicContact CB-CB 4.47Å; R162-E169 IonicContact CZ-OE1 3.7Å; R162-E169 PolarHBondContact N-O 2.92Å; R162-E169 IonicContact NH1-OE1 3.82Å; R162-E169 PolarHBondContact NH1-OE1 2.96Å; R162-E169 PolarHBondContact O-N 3.22Å; R162-I171 HydrophobicContact CG-CG1 4.46Å
163	E	98.4	Very high	97	Very high	24 Å²	24	67.1 Å²	67.1	11%	0.112	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	123.2	165.4	-63.2	-61.4	162	0	0	110.1	F147 S149 L168 D182 R184	F147-E163 HydrophobicContact CB-CB 4.3Å; F147-E163 WeakPolarHBondContact CB-O 3.34Å; F147-E163 PolarHBondContact O-N 3.25Å; S149-E163 VanDerWaalsContact CB-OE1 3.26Å; S149-E163 WeakPolarHBondContact CB-OE1 3.36Å; S149-E163 PolarHBondContact OG-OE1 3.26Å; E163-L168 WeakPolarHBondContact OE1-CD2 3.47Å; E163-L168 WeakPolarHBondContact OE2-CD2 3.31Å; E163-D182 HydrophobicContact CG-CB 4.36Å; E163-R184 VanDerWaalsContact CD-CZ 3.42Å; E163-R184 WeakPolarHBondContact OE1-CD 3.44Å; E163-R184 IonicContact OE1-CZ 3.44Å; E163-R184 IonicContact OE1-NE 2.72Å; E163-R184 IonicContact OE1-NH1 3.38Å; E163-R184 PolarHBondContact OE1-NH1 3.06Å; E163-R184 IonicContact OE2-CZ 3.22Å; E163-R184 IonicContact OE2-NH1 2.88Å; E163-R184 PolarHBondContact OE2-NH1 3.5Å; E163-R184 IonicContact OE2-NH2 3.5Å
164	I	98.1	Very high	97.1	Very high	73 Å²	73	69.5 Å²	69.5	37%	0.374	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	166.1	173.5	60.3	162.3	0	0	0	109.4	G166 G167 E169	I164-G166 PolarHBondContact O-N 3.5Å; I164-G166 VanDerWaalsContact O-N 3.13Å; I164-G167 VanDerWaalsContact CG1-O 3.25Å; I164-G167 WeakPolarHBondContact CG1-O 3.46Å; I164-G167 PolarHBondContact N-O 3.18Å; I164-G167 PolarHBondContact O-N 2.77Å; I164-E169 HydrophobicContact CD1-CB 4.09Å; I164-E169 HydrophobicContact CG1-CB 4.39Å; I164-E169 HydrophobicContact CG2-CB 4.07Å
165	D	96.6	Very high	97.3	Very high	184 Å²	184	67.8 Å²	67.8	98%	0.984	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-37.1	-173.7	-62.3	-27	0	0	0	113.5
166	G	96.3	Very high	97.6	Very high	82 Å²	82	67.3 Å²	67.3	85%	0.845	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	3	-178.9	0	0	0	0	0	115.7	I164	I164-G166 PolarHBondContact O-N 3.5Å; I164-G166 VanDerWaalsContact O-N 3.13Å
167	G	96.9	Very high	97.8	Very high	32 Å²	32	59.7 Å²	59.7	33%	0.33	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	137	-127.2	-176.9	0	0	0	0	0	113.1	I164	I164-G167 VanDerWaalsContact CG1-O 3.25Å; I164-G167 WeakPolarHBondContact CG1-O 3.46Å; I164-G167 PolarHBondContact N-O 3.18Å; I164-G167 PolarHBondContact O-N 2.77Å
168	L	98.5	Very high	97.9	Very high	111 Å²	111	55.2 Å²	55.2	58%	0.581	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.8	137.9	-173.8	-60.5	177	0	0	0	111.7	V161 R162 E163	V161-L168 HydrophobicContact CG1-CB 4.02Å; V161-L168 HydrophobicContact CG1-CD1 4.2Å; V161-L168 HydrophobicContact CG1-CD2 4.18Å; V161-L168 HydrophobicContact CG1-CG 4.37Å; R162-L168 WeakPolarHBondContact O-CA 3.39Å; E163-L168 WeakPolarHBondContact OE1-CD2 3.47Å; E163-L168 WeakPolarHBondContact OE2-CD2 3.31Å
169	E	98.5	Very high	98	Very high	75 Å²	75	55.3 Å²	55.3	35%	0.35	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.1	171.2	-174.1	-171.2	73.1	0	0	109.9	V161 R162 I164 I171	V161-E169 CarbonylContact C-O 3.52Å; V161-E169 WeakPolarHBondContact CA-O 3.31Å; R162-E169 HydrophobicContact CB-CB 4.47Å; R162-E169 IonicContact CZ-OE1 3.7Å; R162-E169 PolarHBondContact N-O 2.92Å; R162-E169 IonicContact NH1-OE1 3.82Å; R162-E169 PolarHBondContact NH1-OE1 2.96Å; R162-E169 PolarHBondContact O-N 3.22Å; I164-E169 HydrophobicContact CD1-CB 4.09Å; I164-E169 HydrophobicContact CG1-CB 4.39Å; I164-E169 HydrophobicContact CG2-CB 4.07Å; E169-I171 HydrophobicContact CG-CG2 4.13Å; E169-I171 WeakPolarHBondContact OE1-CG2 3.48Å
170	T	98.6	Very high	98	Very high	81 Å²	81	51 Å²	51	50%	0.497	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	122.7	174.3	-61.7	0	0	0	0	110.3	K159 V160	K159-T170 HydrophobicContact CD-CG2 4.25Å; K159-T170 HydrophobicContact CG-CG2 3.95Å; V160-T170 WeakPolarHBondContact O-CA 3.25Å
171	I	98.4	Very high	98	Very high	38 Å²	38	51 Å²	51	20%	0.195	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	157.2	174.5	65.9	168.6	0	0	0	111.1	K159 V160 R162 E169 I173	K159-I171 WeakPolarHBondContact CA-O 3.42Å; V160-I171 HydrophobicContact CB-CG1 4.01Å; V160-I171 PolarHBondContact N-O 3.3Å; V160-I171 PolarHBondContact O-N 2.86Å; R162-I171 HydrophobicContact CG-CG1 4.46Å; E169-I171 HydrophobicContact CG-CG2 4.13Å; E169-I171 WeakPolarHBondContact OE1-CG2 3.48Å; I171-I173 HydrophobicContact CD1-CG2 3.92Å; I171-I173 HydrophobicContact CG1-CG2 4.45Å
172	K	98.3	Very high	98	Very high	115 Å²	115	50.8 Å²	50.8	50%	0.5	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	118.9	172.4	-166.7	175.6	-168.7	172.9	0	108.9	D154 K157 V158	D154-K172 WeakPolarHBondContact OD2-CE 3.46Å; D154-K172 IonicContact OD2-NZ 2.64Å; D154-K172 PolarHBondContact OD2-NZ 3.16Å; K157-K172 HydrophobicContact CB-CD 4.36Å; K157-K172 HydrophobicContact CB-CG 4.01Å; K157-K172 HydrophobicContact CD-CD 4Å; K157-K172 HydrophobicContact CD-CG 4.09Å; V158-K172 WeakPolarHBondContact O-CA 3.27Å
173	I	98.2	Very high	98	Very high	20 Å²	20	53.3 Å²	53.3	10%	0.103	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	149	-176.4	61.5	-178.9	0	0	0	111.1	P143 K157 V158 V160 I171 A177 L179	P143-I173 HydrophobicContact CB-CB 3.81Å; P143-I173 HydrophobicContact CB-CD1 4.4Å; P143-I173 HydrophobicContact CB-CG2 4.05Å; P143-I173 HydrophobicContact CG-CB 4.11Å; K157-I173 CarbonylContact C-O 3.49Å; K157-I173 VanDerWaalsContact CA-O 3.24Å; K157-I173 WeakPolarHBondContact CA-O 3.38Å; K157-I173 WeakPolarHBondContact CB-O 3.49Å; V158-I173 HydrophobicContact CG1-CD1 3.82Å; V158-I173 HydrophobicContact CG1-CG1 3.31Å; V158-I173 PolarHBondContact N-O 3.23Å; V158-I173 PolarHBondContact O-N 3.35Å; V160-I173 HydrophobicContact CG2-CD1 4.43Å; I171-I173 HydrophobicContact CD1-CG2 3.92Å; I171-I173 HydrophobicContact CG1-CG2 4.45Å; I173-A177 HydrophobicContact CD1-CB 3.8Å; I173-A177 HydrophobicContact CG1-CB 4.27Å; I173-L179 HydrophobicContact CD1-CD2 4.03Å
174	S	97.5	Very high	98	Very high	66 Å²	66	60 Å²	60	46%	0.462	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	146	176.7	-58	0	0	0	0	110.9	P143	P143-S174 WeakPolarHBondContact CG-O 3.38Å
175	M	95.9	Very high	98	Very high	53 Å²	53	57.4 Å²	57.4	26%	0.261	32%	0.322	S	S	.	.	S	Bend	trans	-85.8	144.8	166.1	-68	-173.9	-69.9	0	0	109.8	I153 G155 E156 V158	I153-M175 HydrophobicContact CG2-CE 3.92Å; G155-M175 WeakPolarHBondContact O-CE 3.24Å; E156-M175 WeakPolarHBondContact O-CB 3.24Å; E156-M175 PolarHBondContact O-N 3.24Å; V158-M175 HydrophobicContact CG1-CG 4.48Å
176	P	97.7	Very high	98.1	Very high	52 Å²	52	49.5 Å²	49.5	34%	0.338	28%	0.279	S	S	.	.	S	Bend	cis	-74.7	149.5	5.6	33.3	-38	0	0	0	113.9	S116 W142 P143	S116-P176 VanDerWaalsContact O-CA 3.23Å; S116-P176 WeakPolarHBondContact O-CA 3.29Å; W142-P176 HydrophobicContact CD2-CB 3.73Å; W142-P176 HydrophobicContact CD2-CG 3.84Å; W142-P176 HydrophobicContact CE3-CB 3.77Å; W142-P176 HydrophobicContact CE3-CG 4.4Å; W142-P176 HydrophobicContact CG-CG 4.3Å; W142-P176 HydrophobicContact CH2-CB 3.6Å; W142-P176 HydrophobicContact CH2-CG 4.23Å; W142-P176 HydrophobicContact CZ2-CB 3.54Å; W142-P176 HydrophobicContact CZ2-CG 3.64Å; W142-P176 HydrophobicContact CZ3-CB 3.69Å; P143-P176 WeakPolarHBondContact CD-O 3.23Å
177	A	98.4	Very high	98.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	166.6	-173.6	0	0	0	0	0	113	S116 L117 V118 P143 V158 I173	S116-A177 PolarHBondContact O-N 3.02Å; L117-A177 WeakPolarHBondContact CA-O 3.42Å; L117-A177 HydrophobicContact CD1-CB 3.89Å; L117-A177 WeakPolarHBondContact CD1-O 3.49Å; V118-A177 PolarHBondContact N-O 2.97Å; P143-A177 HydrophobicContact CG-CB 4.17Å; P143-A177 WeakPolarHBondContact O-CA 3.38Å; V158-A177 HydrophobicContact CG1-CB 4.35Å; I173-A177 HydrophobicContact CD1-CB 3.8Å; I173-A177 HydrophobicContact CG1-CB 4.27Å
178	V	98.8	Very high	98.1	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	128.4	171.2	-175	0	0	0	0	110.3	V118 L120 G133 T136 A137 L140 W142 P143 Q144 G145	V118-V178 HydrophobicContact CB-CG1 4.31Å; V118-V178 HydrophobicContact CB-CG2 4.24Å; V118-V178 CarbonylContact O-C 3.42Å; V118-V178 WeakPolarHBondContact O-CA 3.36Å; L120-V178 HydrophobicContact CD1-CG1 4.15Å; G133-V178 WeakPolarHBondContact O-CG1 3.15Å; T136-V178 HydrophobicContact CG2-CG2 4.18Å; A137-V178 HydrophobicContact CB-CB 3.91Å; A137-V178 HydrophobicContact CB-CG2 3.85Å; L140-V178 HydrophobicContact CD1-CG2 4.46Å; W142-V178 HydrophobicContact CB-CG2 4.42Å; W142-V178 HydrophobicContact CE3-CG2 4.08Å; P143-V178 PolarHBondContact O-N 3.4Å; Q144-V178 CarbonylContact C-O 3.56Å; Q144-V178 WeakPolarHBondContact CA-O 3.41Å; G145-V178 PolarHBondContact N-O 2.77Å
179	L	98.8	Very high	98.1	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	144.3	177.6	-56	-177.3	0	0	0	110.5	L117 V118 I119 L120 G145 V151 V158 V160 I173	L117-L179 HydrophobicContact CD1-CD1 3.99Å; L117-L179 HydrophobicContact CD1-CG 3.9Å; L117-L179 HydrophobicContact CD2-CD1 3.98Å; L117-L179 HydrophobicContact CG-CD1 4.32Å; L117-L179 HydrophobicContact CG-CG 4.45Å; V118-L179 PolarHBondContact O-N 3.16Å; I119-L179 WeakPolarHBondContact CA-O 3.22Å; I119-L179 HydrophobicContact CG1-CB 4.42Å; I119-L179 HydrophobicContact CG2-CB 4.43Å; L120-L179 PolarHBondContact N-O 3.2Å; G145-L179 WeakPolarHBondContact O-CA 3.35Å; V151-L179 HydrophobicContact CG1-CD1 3.79Å; V151-L179 HydrophobicContact CG2-CD1 3.97Å; V158-L179 HydrophobicContact CG1-CD2 4.45Å; V158-L179 HydrophobicContact CG2-CD1 4.38Å; V160-L179 HydrophobicContact CG2-CD2 3.66Å; I173-L179 HydrophobicContact CD1-CD2 4.03Å
180	T	98.9	Very high	97.8	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	126.2	167.8	76.7	0	0	0	0	110.9	L120 G145 T146 F147 A148	L120-T180 HydrophobicContact CB-CG2 4.45Å; L120-T180 CarbonylContact O-C 3.56Å; L120-T180 VanDerWaalsContact O-CA 3.27Å; L120-T180 WeakPolarHBondContact O-CA 3.48Å; G145-T180 PolarHBondContact O-N 3.31Å; T146-T180 VanDerWaalsContact CA-OG1 3.23Å; T146-T180 WeakPolarHBondContact CA-OG1 3.16Å; T146-T180 WeakPolarHBondContact CB-OG1 3.16Å; T146-T180 HydrophobicContact CG2-CG2 4.2Å; F147-T180 PolarHBondContact N-O 3.36Å; F147-T180 PolarHBondContact N-OG1 3.49Å; F147-T180 VanDerWaalsContact N-OG1 3.11Å; A148-T180 WeakPolarHBondContact CB-O 3.35Å; A148-T180 PolarHBondContact N-O 2.92Å
181	A	98.8	Very high	97.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	126.8	-174.1	0	0	0	0	0	111.8	I42 A43 L120 K122 L185	I42-A181 HydrophobicContact CB-CB 4.35Å; I42-A181 HydrophobicContact CG2-CB 3.84Å; A43-A181 HydrophobicContact CB-CB 4.23Å; L120-A181 PolarHBondContact O-N 2.68Å; K122-A181 WeakPolarHBondContact CB-O 3.31Å; K122-A181 PolarHBondContact N-O 2.73Å; A181-L185 HydrophobicContact CB-CD2 3.61Å
182	D	98.7	Very high	97.2	Very high	11 Å²	11	56.2 Å²	56.2	6%	0.059	28%	0.281	C	S	.	.			trans	-83	162.7	165.6	-174.2	-99.5	0	0	0	111.2	K122 A148 E163 R184 L185	K122-D182 IonicContact NZ-OD2 3.18Å; A148-D182 WeakPolarHBondContact O-CB 3.31Å; A148-D182 PolarHBondContact O-N 2.85Å; E163-D182 HydrophobicContact CG-CB 4.36Å; D182-R184 PolarHBondContact O-N 3.03Å; D182-R184 VanDerWaalsContact O-N 3.13Å; D182-R184 WeakPolarHBondContact OD1-CG 3.4Å; D182-R184 PolarHBondContact OD1-N 3.26Å; D182-R184 IonicContact OD1-NE 3.81Å; D182-L185 WeakPolarHBondContact O-CB 3.32Å; D182-L185 PolarHBondContact O-N 3.15Å
183	L	97.5	Very high	97	Very high	98 Å²	98	57.3 Å²	57.3	51%	0.513	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-28	176	-67.7	179.9	0	0	0	113.7	F39 I42	F39-L183 HydrophobicContact CD1-CD2 3.82Å; F39-L183 HydrophobicContact CD1-CG 4.15Å; F39-L183 HydrophobicContact CE1-CD1 4.34Å; F39-L183 HydrophobicContact CE1-CD2 3.63Å; F39-L183 HydrophobicContact CE1-CG 3.53Å; F39-L183 HydrophobicContact CG-CD2 4.44Å; F39-L183 HydrophobicContact CZ-CD1 4.37Å; F39-L183 HydrophobicContact CZ-CD2 4.05Å; F39-L183 HydrophobicContact CZ-CG 4.01Å; I42-L183 VanDerWaalsContact CD1-CA 3.48Å; I42-L183 HydrophobicContact CD1-CB 4.4Å; I42-L183 HydrophobicContact CD1-CD2 3.74Å
184	R	97.9	Very high	96.9	Very high	166 Å²	166	60.3 Å²	60.3	63%	0.626	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-7.8	-175.7	-60.1	-177.6	-140.3	166	9.3	114.4	E163 D182 N186	E163-R184 VanDerWaalsContact CD-CZ 3.42Å; E163-R184 WeakPolarHBondContact OE1-CD 3.44Å; E163-R184 IonicContact OE1-CZ 3.44Å; E163-R184 IonicContact OE1-NE 2.72Å; E163-R184 IonicContact OE1-NH1 3.38Å; E163-R184 PolarHBondContact OE1-NH1 3.06Å; E163-R184 IonicContact OE2-CZ 3.22Å; E163-R184 IonicContact OE2-NH1 2.88Å; E163-R184 PolarHBondContact OE2-NH1 3.5Å; E163-R184 IonicContact OE2-NH2 3.5Å; D182-R184 PolarHBondContact O-N 3.03Å; D182-R184 VanDerWaalsContact O-N 3.13Å; D182-R184 WeakPolarHBondContact OD1-CG 3.4Å; D182-R184 PolarHBondContact OD1-N 3.26Å; D182-R184 IonicContact OD1-NE 3.81Å; R184-N186 PolarHBondContact O-N 3.03Å
185	L	98.5	Very high	96.8	Very high	18 Å²	18	60 Å²	60	9%	0.094	31%	0.306	C	S	.	.	S	Bend	trans	-61.1	-43	-174.9	-175.9	56.6	0	0	0	113.2	I42 E46 A148 S149 V151 A181 D182	I42-L185 HydrophobicContact CG2-CB 3.68Å; I42-L185 HydrophobicContact CG2-CD2 4.14Å; I42-L185 HydrophobicContact CG2-CG 4.28Å; E46-L185 HydrophobicContact CB-CD2 3.93Å; E46-L185 HydrophobicContact CG-CD2 3.94Å; E46-L185 HydrophobicContact CG-CG 4.38Å; A148-L185 WeakPolarHBondContact O-CB 3.41Å; S149-L185 VanDerWaalsContact C-CD1 3.5Å; S149-L185 WeakPolarHBondContact O-CA 3.46Å; V151-L185 HydrophobicContact CG2-CD1 3.95Å; A181-L185 HydrophobicContact CB-CD2 3.61Å; D182-L185 WeakPolarHBondContact O-CB 3.32Å; D182-L185 PolarHBondContact O-N 3.15Å
186	N	98.4	Very high	96.8	Very high	17 Å²	17	60.8 Å²	60.8	9%	0.091	31%	0.31	C	S	.	.			trans	-164.7	175	179.1	58.4	60.4	0	0	0	111.5	I42 E45 E46 R184	I42-N186 WeakPolarHBondContact CG2-OD1 3.42Å; I42-N186 PolarHBondContact O-ND2 3.37Å; E45-N186 WeakPolarHBondContact CB-OD1 3.34Å; E45-N186 HydrophobicContact CG-CB 4.23Å; E45-N186 WeakPolarHBondContact CG-OD1 3.38Å; E46-N186 PolarHBondContact N-ND2 2.98Å; E46-N186 PolarHBondContact OE2-ND2 3.32Å; R184-N186 PolarHBondContact O-N 3.03Å
187	T	97.6	Very high	96.7	Very high	125 Å²	125	63.8 Å²	63.8	77%	0.767	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-103.6	116.5	165.1	-50.7	0	0	0	0	108.6
188	P	96.9	Very high	96.5	Very high	31 Å²	31	70.1 Å²	70.1	20%	0.201	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-60.6	139.6	179.6	-24.5	34.1	0	0	0	112.5	E41 I42 E45 M79	E41-P188 HydrophobicContact CB-CB 4Å; E41-P188 HydrophobicContact CB-CG 3.82Å; I42-P188 HydrophobicContact CB-CG 4.45Å; I42-P188 HydrophobicContact CG1-CG 3.62Å; E45-P188 HydrophobicContact CB-CB 4.39Å; M79-P188 HydrophobicContact CE-CB 4.01Å
189	R	96.9	Very high	96.4	Very high	78 Å²	78	70.1 Å²	70.1	29%	0.294	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-74.4	150.2	174.3	73.7	-171.1	66.4	-172.7	-5.2	111.8	E45 E52 M79	E45-R189 IonicContact OE1-CZ 3.19Å; E45-R189 IonicContact OE1-NE 2.85Å; E45-R189 PolarHBondContact OE1-NE 3.23Å; E45-R189 IonicContact OE1-NH2 3.69Å; E45-R189 PolarHBondContact OE1-NH2 3.34Å; E45-R189 WeakPolarHBondContact OE2-CB 3.28Å; E45-R189 WeakPolarHBondContact OE2-CD 3.29Å; E45-R189 WeakPolarHBondContact OE2-CG 3.47Å; E45-R189 IonicContact OE2-CZ 3.73Å; E45-R189 PolarHBondContact OE2-N 3.17Å; E45-R189 VanDerWaalsContact OE2-N 3.09Å; E45-R189 IonicContact OE2-NE 3.54Å; E45-R189 PolarHBondContact OE2-NE 2.94Å; E45-R189 IonicContact OE2-NH2 3.55Å; E52-R189 IonicContact OE1-CZ 2.65Å; E52-R189 IonicContact OE1-NH1 2.86Å; E52-R189 PolarHBondContact OE1-NH1 3.01Å; E52-R189 IonicContact OE1-NH2 3.69Å; E52-R189 PolarHBondContact OE1-NH2 2.89Å; E52-R189 IonicContact OE2-CZ 3.67Å; E52-R189 IonicContact OE2-NH1 3.4Å; E52-R189 IonicContact OE2-NH2 3.87Å; E52-R189 PolarHBondContact OE2-NH2 2.79Å; M79-R189 WeakPolarHBondContact O-CD 3.4Å
190	Y	93.1	Very high	96.2	Very high	221 Å²	221	76.7 Å²	76.7	87%	0.867	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-78.6	136.3	167.1	-68.7	-80.6	0	0	0	111.2	T192	Y190-T192 PolarHBondContact O-N 2.78Å
191	A	91.6	Very high	96	Very high	31 Å²	31	85.7 Å²	85.7	26%	0.256	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-71.8	122.5	172.8	0	0	0	0	0	110.6	A78 I196	A78-A191 HydrophobicContact CB-CB 3.64Å; A191-I196 HydrophobicContact CB-CD1 4.36Å; A191-I196 HydrophobicContact CB-CG1 3.97Å
192	T	93.3	Very high	95.9	Very high	74 Å²	74	88.5 Å²	88.5	45%	0.454	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-74.3	153.2	176.7	64.4	0	0	0	0	111.3	Y190 P194 N195 I196	Y190-T192 PolarHBondContact O-N 2.78Å; T192-P194 VanDerWaalsContact C-CD 3.49Å; T192-P194 VanDerWaalsContact C-N 3.33Å; T192-N195 WeakPolarHBondContact O-CA 3.42Å; T192-N195 WeakPolarHBondContact O-CB 3.28Å; T192-N195 PolarHBondContact O-N 2.96Å; T192-N195 PolarHBondContact OG1-ND2 2.72Å; T192-I196 WeakPolarHBondContact O-CG1 3.29Å; T192-I196 PolarHBondContact O-N 3.02Å
193	L	93.4	Very high	95.8	Very high	139 Å²	139	96.4 Å²	96.4	73%	0.728	46%	0.463	S	S	*	.	H	α-helix	trans	-50.8	-44.4	177.2	-70.9	172.7	0	0	0	113.4	N195 I196 M197	L193-N195 VanDerWaalsContact C-N 3.3Å; L193-N195 PolarHBondContact O-N 2.92Å; L193-I196 PolarHBondContact O-N 3.02Å; L193-M197 WeakPolarHBondContact O-CG 3.38Å; L193-M197 PolarHBondContact O-N 3.08Å; L193-M197 VanDerWaalsContact O-N 3.08Å
194	P	96.1	Very high	95.8	Very high	82 Å²	82	93.1 Å²	93.1	53%	0.532	45%	0.446	S	S	.	.	H	α-helix	trans	-60	-38.3	175	-25.1	35.7	0	0	0	113.4	T192 M197 K198	T192-P194 VanDerWaalsContact C-CD 3.49Å; T192-P194 VanDerWaalsContact C-N 3.33Å; P194-M197 PolarHBondContact O-N 3.28Å; P194-K198 WeakPolarHBondContact O-CG 3.48Å; P194-K198 PolarHBondContact O-N 2.67Å
195	N	95.8	Very high	95.9	Very high	60 Å²	60	87.4 Å²	87.4	32%	0.321	43%	0.433	S	S	.	.	H	α-helix	trans	-71.4	-37.8	179.3	-73.7	-6.4	0	0	0	112	A78 T192 L193 M197 K198 A199	A78-N195 VanDerWaalsContact O-CB 3.32Å; A78-N195 WeakPolarHBondContact O-CB 3.44Å; T192-N195 WeakPolarHBondContact O-CA 3.42Å; T192-N195 WeakPolarHBondContact O-CB 3.28Å; T192-N195 PolarHBondContact O-N 2.96Å; T192-N195 PolarHBondContact OG1-ND2 2.72Å; L193-N195 VanDerWaalsContact C-N 3.3Å; L193-N195 PolarHBondContact O-N 2.92Å; N195-M197 VanDerWaalsContact C-N 3.29Å; N195-M197 PolarHBondContact O-N 3.06Å; N195-K198 PolarHBondContact O-N 3.08Å; N195-A199 VanDerWaalsContact O-CB 3.32Å; N195-A199 WeakPolarHBondContact O-CB 3.23Å; N195-A199 PolarHBondContact O-N 2.88Å
196	I	95.6	Very high	95.8	Very high	69 Å²	69	91.7 Å²	91.7	35%	0.354	46%	0.457	S	S	.	.	H	α-helix	trans	-59.3	-43.2	173.1	-65.4	168.4	0	0	0	110.2	A78 A191 T192 L193 A199 K200	A78-I196 HydrophobicContact CB-CG1 3.99Å; A191-I196 HydrophobicContact CB-CD1 4.36Å; A191-I196 HydrophobicContact CB-CG1 3.97Å; T192-I196 WeakPolarHBondContact O-CG1 3.29Å; T192-I196 PolarHBondContact O-N 3.02Å; L193-I196 PolarHBondContact O-N 3.02Å; I196-A199 WeakPolarHBondContact O-CB 3.34Å; I196-A199 PolarHBondContact O-N 3.43Å; I196-K200 PolarHBondContact O-N 3.2Å
197	M	95.2	Very high	95.8	Very high	116 Å²	116	91.9 Å²	91.9	57%	0.571	46%	0.457	S	S	*	.	H	α-helix	trans	-66.9	-39.7	177.5	-66.6	-58.8	-74.1	0	0	112.6	L193 P194 N195 A199 K200	L193-M197 WeakPolarHBondContact O-CG 3.38Å; L193-M197 PolarHBondContact O-N 3.08Å; L193-M197 VanDerWaalsContact O-N 3.08Å; P194-M197 PolarHBondContact O-N 3.28Å; N195-M197 VanDerWaalsContact C-N 3.29Å; N195-M197 PolarHBondContact O-N 3.06Å; M197-A199 VanDerWaalsContact C-N 3.34Å; M197-K200 PolarHBondContact O-N 3.18Å
198	K	95.2	Very high	95.8	Very high	132 Å²	132	91.5 Å²	91.5	57%	0.574	45%	0.445	S	S	*	.	H	α-helix	trans	-65.1	-37.3	173	-72.8	171.8	-178.4	176.3	0	111.9	P194 N195 K200 K201 K202	P194-K198 WeakPolarHBondContact O-CG 3.48Å; P194-K198 PolarHBondContact O-N 2.67Å; N195-K198 PolarHBondContact O-N 3.08Å; K198-K200 VanDerWaalsContact C-N 3.25Å; K198-K200 PolarHBondContact O-N 3.19Å; K198-K201 PolarHBondContact O-N 2.97Å; K198-K202 PolarHBondContact O-N 3.34Å
199	A	96.3	Very high	95.8	Very high	2 Å²	2	90.6 Å²	90.6	2%	0.017	44%	0.439	C	S	.	.	H	α-helix	trans	-62.6	-30.4	-179.2	0	0	0	0	0	113	R74 L77 A78 N195 I196 M197 K201 K202	R74-A199 PolarHBondContact NH1-O 3Å; L77-A199 HydrophobicContact CB-CB 3.89Å; A78-A199 HydrophobicContact CB-CB 3.75Å; N195-A199 VanDerWaalsContact O-CB 3.32Å; N195-A199 WeakPolarHBondContact O-CB 3.23Å; N195-A199 PolarHBondContact O-N 2.88Å; I196-A199 WeakPolarHBondContact O-CB 3.34Å; I196-A199 PolarHBondContact O-N 3.43Å; M197-A199 VanDerWaalsContact C-N 3.34Å; A199-K201 PolarHBondContact O-N 3.23Å; A199-K202 PolarHBondContact O-N 3.01Å
200	K	94.2	Very high	95.8	Very high	139 Å²	139	90.7 Å²	90.7	60%	0.604	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-29.4	173.2	-67.7	-176.2	178	-179.5	0	113.1	I196 M197 K198	I196-K200 PolarHBondContact O-N 3.2Å; M197-K200 PolarHBondContact O-N 3.18Å; K198-K200 VanDerWaalsContact C-N 3.25Å; K198-K200 PolarHBondContact O-N 3.19Å
201	K	94.7	Very high	95.9	Very high	190 Å²	190	84.8 Å²	84.8	83%	0.826	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-19.3	179.9	-60.2	-176.7	-179.3	-176.8	0	113.6	K198 A199	K198-K201 PolarHBondContact O-N 2.97Å; A199-K201 PolarHBondContact O-N 3.23Å
202	K	97.1	Very high	96.2	Very high	60 Å²	60	84.4 Å²	84.4	26%	0.261	43%	0.433	S	S	.	.	S	Bend	trans	-65.5	146.7	178.7	-71.4	-179.5	176.3	-180	0	110.2	R74 L77 C81 K198 A199	R74-K202 PolarHBondContact NH1-O 2.75Å; L77-K202 HydrophobicContact CB-CD 4.05Å; L77-K202 HydrophobicContact CD1-CB 4.07Å; L77-K202 HydrophobicContact CD2-CB 4.29Å; L77-K202 HydrophobicContact CD2-CD 4Å; L77-K202 HydrophobicContact CG-CD 4.5Å; L77-K202 PolarHBondContact O-NZ 2.98Å; C81-K202 PolarHBondContact O-NZ 2.99Å; K198-K202 PolarHBondContact O-N 3.34Å; A199-K202 PolarHBondContact O-N 3.01Å
203	K	96.5	Very high	96.3	Very high	177 Å²	177	84.3 Å²	84.3	77%	0.77	45%	0.448	S	S	*	.			trans	-75.9	137.5	-177.8	-64.8	-175.1	179.7	-178	0	110.7	G84	G84-K203 PolarHBondContact N-O 3.45Å
204	I	98.5	Very high	96.5	Very high	29 Å²	29	78.5 Å²	78.5	15%	0.149	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	116.4	164.1	-61.5	179.9	0	0	0	105.6	I73 R74 L77 G84 H86	I73-I204 HydrophobicContact CB-CD1 4.11Å; I73-I204 HydrophobicContact CD1-CG2 4.31Å; I73-I204 HydrophobicContact CG2-CD1 3.7Å; I73-I204 HydrophobicContact CG2-CG1 3.96Å; R74-I204 HydrophobicContact CG-CD1 4.11Å; L77-I204 HydrophobicContact CD1-CD1 4.08Å; L77-I204 HydrophobicContact CD1-CG1 3.83Å; G84-I204 CarbonylContact O-C 3.58Å; G84-I204 WeakPolarHBondContact O-CA 3.43Å; H86-I204 HydrophobicContact CB-CG2 3.85Å
205	A	98.3	Very high	96.4	Very high	45 Å²	45	79 Å²	79	37%	0.372	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	132.6	172.1	0	0	0	0	0	108.5	G84 I85 H86	G84-A205 PolarHBondContact O-N 3.12Å; I85-A205 CarbonylContact C-O 3.54Å; I85-A205 WeakPolarHBondContact CA-O 3.37Å; I85-A205 HydrophobicContact CG1-CB 4.48Å; H86-A205 PolarHBondContact N-O 3.24Å
206	N	97.9	Very high	96.4	Very high	109 Å²	109	76.7 Å²	76.7	58%	0.583	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	136.5	173.5	-65.9	-17.5	0	0	0	108.7	H86	H86-N206 WeakPolarHBondContact O-CA 3.31Å
207	M	97.6	Very high	96.3	Very high	21 Å²	21	77.7 Å²	77.7	10%	0.103	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	158	178.3	-58.5	-171.3	74.7	0	0	109.1	I85 H86 V87 E88 L109 K112 D211 L212	I85-M207 HydrophobicContact CG2-CG 4.15Å; I85-M207 HydrophobicContact CG2-SD 3.89Å; H86-M207 PolarHBondContact O-N 2.98Å; V87-M207 CarbonylContact C-O 3.6Å; V87-M207 VanDerWaalsContact CA-O 3.31Å; V87-M207 WeakPolarHBondContact CA-O 3.36Å; E88-M207 PolarHBondContact N-O 2.82Å; L109-M207 HydrophobicContact CD2-SD 3.86Å; K112-M207 HydrophobicContact CD-CE 3.98Å; M207-D211 HydrophobicContact CE-CB 4.31Å; M207-L212 HydrophobicContact CE-CD2 3.52Å; M207-L212 HydrophobicContact CE-CG 4.16Å; M207-L212 HydrophobicContact SD-CD2 4.34Å
208	K	97.6	Very high	96.3	Very high	116 Å²	116	74 Å²	74	50%	0.504	40%	0.398	S	S	.	.			trans	-110	156.2	168.8	-63.3	-176.4	179.4	-175.4	0	109.8	A210 D211	K208-A210 PolarHBondContact O-N 3.04Å; K208-A210 VanDerWaalsContact O-N 3.17Å; K208-D211 PolarHBondContact N-OD2 3.21Å; K208-D211 WeakPolarHBondContact O-CB 3.45Å; K208-D211 PolarHBondContact O-N 3.17Å
209	P	97.1	Very high	96.1	Very high	12 Å²	12	79 Å²	79	8%	0.078	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-52.1	-36.2	172.2	-27.9	35.2	0	0	0	113.2	V87 E88 V89 I105 D211 L212 G213 V214 M216	V87-P209 HydrophobicContact CG1-CG 4.06Å; E88-P209 WeakPolarHBondContact O-CD 3.36Å; V89-P209 HydrophobicContact CG2-CG 3.71Å; I105-P209 HydrophobicContact CD1-CG 4.34Å; P209-D211 VanDerWaalsContact C-N 3.32Å; P209-D211 PolarHBondContact O-N 2.93Å; P209-L212 CarbonylContact O-C 3.56Å; P209-L212 WeakPolarHBondContact O-CA 3.38Å; P209-L212 WeakPolarHBondContact O-CB 3.39Å; P209-L212 PolarHBondContact O-N 3.04Å; P209-G213 PolarHBondContact O-N 3.2Å; P209-V214 HydrophobicContact CB-CB 4.31Å; P209-V214 PolarHBondContact O-N 3.41Å; P209-M216 HydrophobicContact CB-CG 3.73Å; P209-M216 HydrophobicContact CB-SD 3.62Å; P209-M216 HydrophobicContact CG-CE 4.46Å; P209-M216 HydrophobicContact CG-CG 3.82Å; P209-M216 HydrophobicContact CG-SD 3.6Å; P209-M216 VanDerWaalsContact CG-SD 3.6Å
210	A	96.5	Very high	96	Very high	80 Å²	80	84.4 Å²	84.4	66%	0.661	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-60.3	-36.7	176.1	0	0	0	0	0	113.3	K208 L212 G213	K208-A210 PolarHBondContact O-N 3.04Å; K208-A210 VanDerWaalsContact O-N 3.17Å; A210-L212 PolarHBondContact O-N 3.1Å; A210-L212 VanDerWaalsContact O-N 3.15Å; A210-G213 PolarHBondContact O-N 3.25Å
211	D	96.4	Very high	95.9	Very high	98 Å²	98	85.5 Å²	85.5	52%	0.524	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-67.4	-14.5	177.2	-54.6	-36.4	0	0	0	112.6	M207 K208 P209	M207-D211 HydrophobicContact CE-CB 4.31Å; K208-D211 PolarHBondContact N-OD2 3.21Å; K208-D211 WeakPolarHBondContact O-CB 3.45Å; K208-D211 PolarHBondContact O-N 3.17Å; P209-D211 VanDerWaalsContact C-N 3.32Å; P209-D211 PolarHBondContact O-N 2.93Å
212	L	96.9	Very high	95.9	Very high	22 Å²	22	81.5 Å²	81.5	12%	0.115	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-105.1	1	178	-61.1	174.5	0	0	0	112.1	V87 I105 A108 L109 K112 M207 P209 A210 V214	V87-L212 HydrophobicContact CG1-CD1 4.5Å; V87-L212 HydrophobicContact CG2-CD1 4.35Å; I105-L212 HydrophobicContact CG2-CD1 3.84Å; A108-L212 HydrophobicContact CB-CB 3.88Å; A108-L212 HydrophobicContact CB-CD2 4.38Å; L109-L212 HydrophobicContact CD1-CD1 4.39Å; L109-L212 HydrophobicContact CD2-CD1 4.04Å; L109-L212 HydrophobicContact CD2-CD2 3.71Å; L109-L212 HydrophobicContact CG-CD1 3.88Å; L109-L212 HydrophobicContact CG-CD2 4.16Å; K112-L212 HydrophobicContact CD-CD2 4.1Å; M207-L212 HydrophobicContact CE-CD2 3.52Å; M207-L212 HydrophobicContact CE-CG 4.16Å; M207-L212 HydrophobicContact SD-CD2 4.34Å; P209-L212 CarbonylContact O-C 3.56Å; P209-L212 WeakPolarHBondContact O-CA 3.38Å; P209-L212 WeakPolarHBondContact O-CB 3.39Å; P209-L212 PolarHBondContact O-N 3.04Å; A210-L212 PolarHBondContact O-N 3.1Å; A210-L212 VanDerWaalsContact O-N 3.15Å; L212-V214 HydrophobicContact CB-CG2 3.99Å; L212-V214 PolarHBondContact O-N 2.85Å
213	G	96.6	Very high	95.8	Very high	73 Å²	73	85.8 Å²	85.8	75%	0.753	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	25.9	-174.5	0	0	0	0	0	113.3	P209 A210	P209-G213 PolarHBondContact O-N 3.2Å; A210-G213 PolarHBondContact O-N 3.25Å
214	V	96.7	Very high	95.8	Very high	16 Å²	16	84.3 Å²	84.3	10%	0.097	46%	0.459	C	S	.	.			trans	-99.9	122.1	-178.1	178.3	0	0	0	0	110.5	K104 I105 A108 P209 L212 M216	K104-V214 HydrophobicContact CB-CG1 3.65Å; K104-V214 HydrophobicContact CB-CG2 4.07Å; K104-V214 HydrophobicContact CD-CG1 4.07Å; I105-V214 HydrophobicContact CG1-CB 4.36Å; I105-V214 HydrophobicContact CG1-CG1 4.09Å; I105-V214 HydrophobicContact CG1-CG2 4.33Å; A108-V214 HydrophobicContact CB-CG2 4.19Å; P209-V214 HydrophobicContact CB-CB 4.31Å; P209-V214 PolarHBondContact O-N 3.41Å; L212-V214 HydrophobicContact CB-CG2 3.99Å; L212-V214 PolarHBondContact O-N 2.85Å; V214-M216 HydrophobicContact CG1-SD 4.32Å
215	D	93.9	Very high	95.8	Very high	93 Å²	93	84.9 Å²	84.9	50%	0.497	46%	0.464	S	S	.	.			trans	-79.8	132.1	166.9	176.6	25.5	0	0	0	111.2	V217	D215-V217 VanDerWaalsContact OD1-CG2 3.23Å; D215-V217 WeakPolarHBondContact OD1-CG2 3.4Å; D215-V217 PolarHBondContact OD1-N 3.06Å; D215-V217 WeakPolarHBondContact OD2-CB 3.35Å; D215-V217 WeakPolarHBondContact OD2-CG2 3.31Å
216	M	95.4	Very high	95.7	Very high	11 Å²	11	86.4 Å²	86.4	5%	0.054	47%	0.466	C	S	.	.			trans	-91.3	-0.6	-177.7	-64.4	-57.3	-66	0	0	113.6	V89 D93 M97 Q101 I105 P209 V214 S218	V89-M216 HydrophobicContact CG1-CE 3.84Å; V89-M216 HydrophobicContact CG2-CE 4.15Å; D93-M216 HydrophobicContact CB-CB 4.23Å; M97-M216 HydrophobicContact CB-CE 4.32Å; M97-M216 HydrophobicContact CG-CE 3.98Å; M97-M216 HydrophobicContact SD-CE 4.17Å; Q101-M216 HydrophobicContact CB-CE 3.69Å; Q101-M216 HydrophobicContact CB-SD 3.97Å; Q101-M216 HydrophobicContact CG-CE 3.94Å; Q101-M216 HydrophobicContact CG-SD 4.16Å; I105-M216 HydrophobicContact CD1-SD 4.14Å; P209-M216 HydrophobicContact CB-CG 3.73Å; P209-M216 HydrophobicContact CB-SD 3.62Å; P209-M216 HydrophobicContact CG-CE 4.46Å; P209-M216 HydrophobicContact CG-CG 3.82Å; P209-M216 HydrophobicContact CG-SD 3.6Å; P209-M216 VanDerWaalsContact CG-SD 3.6Å; V214-M216 HydrophobicContact CG1-SD 4.32Å; M216-S218 PolarHBondContact O-N 3Å
217	V	94.8	Very high	95.6	Very high	90 Å²	90	87.3 Å²	87.3	55%	0.545	47%	0.466	S	S	.	.			trans	-52.6	123.8	176.8	172	0	0	0	0	111.1	Q101 D215	Q101-V217 PolarHBondContact NE2-O 2.88Å; D215-V217 VanDerWaalsContact OD1-CG2 3.23Å; D215-V217 WeakPolarHBondContact OD1-CG2 3.4Å; D215-V217 PolarHBondContact OD1-N 3.06Å; D215-V217 WeakPolarHBondContact OD2-CB 3.35Å; D215-V217 WeakPolarHBondContact OD2-CG2 3.31Å
218	S	93.6	Very high	95.4	Very high	38 Å²	38	91.3 Å²	91.3	27%	0.266	49%	0.494	S	S	.	.			trans	-89.9	145.4	171.6	-175.3	0	0	0	0	111	M216 V220	M216-S218 PolarHBondContact O-N 3Å; S218-V220 PolarHBondContact OG-N 3.44Å; S218-V220 PolarHBondContact OG-O 3.37Å
219	R	91.6	Very high	95.3	Very high	237 Å²	237	92 Å²	92	89%	0.894	51%	0.51	S	S	*	.	S	Bend	trans	-103.5	7.6	169.6	-60.7	-174.4	-179.5	-173.1	-0.1	112.2
220	V	93.8	Very high	95.2	Very high	117 Å²	117	97.5 Å²	97.5	71%	0.709	54%	0.544	S	S	*	.			trans	-125.1	132.4	-179	-180	0	0	0	0	107.7	S218	S218-V220 PolarHBondContact OG-N 3.44Å; S218-V220 PolarHBondContact OG-O 3.37Å
221	E	92.6	Very high	95.1	Very high	161 Å²	161	104.9 Å²	104.9	75%	0.752	56%	0.555	S	S	*	*			trans	-122.1	129.1	176.1	-175.8	177.1	-170.4	0	0	108.7	L223	E221-L223 HydrophobicContact CG-CD2 4.17Å; E221-L223 PolarHBondContact O-N 3.28Å
222	V	94.3	Very high	94.9	Very high	106 Å²	106	107.7 Å²	107.7	64%	0.642	57%	0.569	S	S	*	*			trans	-85.1	108	173.2	178.9	0	0	0	0	107.6	V225	V222-V225 HydrophobicContact CG1-CG2 3.78Å
223	L	95.6	Very high	94.8	Very high	150 Å²	150	111.5 Å²	111.5	79%	0.785	60%	0.603	S	S	*	*			trans	-75.7	-35.7	-178.9	-59.7	179.9	0	0	0	112.4	E221	E221-L223 HydrophobicContact CG-CD2 4.17Å; E221-L223 PolarHBondContact O-N 3.28Å
224	R	96.3	Very high	94.6	Very high	147 Å²	147	111.6 Å²	111.6	56%	0.555	60%	0.604	S	S	*	*			trans	-164.3	147	-172.4	-165.3	174.5	164.6	148.4	0.4	111.8	H24 D226	H24-R224 HydrophobicContact CB-CG 3.7Å; H24-R224 PolarHBondContact CE1-NH2 2.8Å; R224-D226 VanDerWaalsContact CD-OD2 3.27Å; R224-D226 WeakPolarHBondContact CD-OD2 3.45Å; R224-D226 WeakPolarHBondContact CG-OD2 3.22Å; R224-D226 IonicContact CZ-OD1 3.66Å; R224-D226 VanDerWaalsContact CZ-OD1 3.25Å; R224-D226 IonicContact CZ-OD2 3.25Å; R224-D226 IonicContact NE-OD1 2.69Å; R224-D226 PolarHBondContact NE-OD1 3.36Å; R224-D226 IonicContact NE-OD2 2.85Å; R224-D226 PolarHBondContact NE-OD2 3.43Å; R224-D226 IonicContact NH2-OD1 3.61Å; R224-D226 PolarHBondContact NH2-OD1 2.97Å; R224-D226 IonicContact NH2-OD2 2.79Å
225	V	97.4	Very high	94.4	Very high	40 Å²	40	116.2 Å²	116.2	24%	0.242	63%	0.632	C	S	.	*			trans	-124.8	126.7	170.1	-178.3	0	0	0	0	109.1	V20 H24 V222	V20-V225 HydrophobicContact CG1-CG1 4.19Å; V20-V225 VanDerWaalsContact CG1-O 3.23Å; V20-V225 WeakPolarHBondContact CG1-O 3.41Å; V20-V225 HydrophobicContact CG2-CG1 4.2Å; H24-V225 WeakPolarHBondContact CA-O 3.33Å; H24-V225 WeakPolarHBondContact CB-O 3.15Å; H24-V225 PolarHBondContact ND1-O 2.93Å; H24-V225 VanDerWaalsContact ND1-O 3.12Å; H24-V225 PolarHBondContact O-N 3.2Å; V222-V225 HydrophobicContact CG1-CG2 3.78Å
226	D	96.9	Very high	94.5	Very high	78 Å²	78	121.6 Å²	121.6	42%	0.417	65%	0.651	S	S	.	*			trans	-125.2	154.3	-178.2	-69.8	-64.7	0	0	0	111.3	H24 R224	H24-D226 IonicContact CE1-OD1 3.09Å; H24-D226 PolarHBondContact CE1-OD1 3.36Å; H24-D226 IonicContact CG-OD1 3.81Å; H24-D226 IonicContact ND1-OD1 2.8Å; H24-D226 PolarHBondContact ND1-OD1 2.9Å; R224-D226 VanDerWaalsContact CD-OD2 3.27Å; R224-D226 WeakPolarHBondContact CD-OD2 3.45Å; R224-D226 WeakPolarHBondContact CG-OD2 3.22Å; R224-D226 IonicContact CZ-OD1 3.66Å; R224-D226 VanDerWaalsContact CZ-OD1 3.25Å; R224-D226 IonicContact CZ-OD2 3.25Å; R224-D226 IonicContact NE-OD1 2.69Å; R224-D226 PolarHBondContact NE-OD1 3.36Å; R224-D226 IonicContact NE-OD2 2.85Å; R224-D226 PolarHBondContact NE-OD2 3.43Å; R224-D226 IonicContact NH2-OD1 3.61Å; R224-D226 PolarHBondContact NH2-OD1 2.97Å; R224-D226 IonicContact NH2-OD2 2.79Å
227	E	94.9	Very high	94.5	Very high	127 Å²	127	123.4 Å²	123.4	59%	0.593	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-67.7	142.2	167.8	-67	-166.6	163.1	0	0	109.9	V20	V20-E227 HydrophobicContact CB-CG 3.93Å; V20-E227 HydrophobicContact CG2-CG 3.69Å
228	P	95.1	Very high	94.6	Very high	106 Å²	106	128.2 Å²	128.2	69%	0.688	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-63.9	156.2	173.5	29.1	-35.3	0	0	0	110.4	T230	P228-T230 PolarHBondContact O-N 3.3Å
229	P	94.7	Very high	94.8	Very high	130 Å²	130	129.5 Å²	129.5	84%	0.844	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-54.1	127.5	176.9	-25.2	33.5	0	0	0	111.9	R231	P229-R231 PolarHBondContact O-N 3.24Å
230	T	94.3	Very high	95.1	Very high	128 Å²	128	123.5 Å²	123.5	79%	0.785	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-62.3	123.6	177	-55	0	0	0	0	110	P228 L232	P228-T230 PolarHBondContact O-N 3.3Å; T230-L232 PolarHBondContact O-N 3.42Å
231	R	94.4	Very high	95.2	Very high	235 Å²	235	124.1 Å²	124.1	89%	0.887	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-62	129.9	174.2	-170.3	-178.6	-172.7	178.9	3.4	109.8	P229	P229-R231 PolarHBondContact O-N 3.24Å
232	L	93.8	Very high	95.4	Very high	157 Å²	157	120 Å²	120	82%	0.822	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-59	146	173.2	-63.5	177.8	0	0	0	110.9	T230 G234	T230-L232 PolarHBondContact O-N 3.42Å; L232-G234 PolarHBondContact O-N 2.96Å
233	A	94.4	Very high	95.5	Very high	102 Å²	102	118.8 Å²	118.8	84%	0.843	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-58.4	128.7	177.4	0	0	0	0	0	110.4
234	G	92.1	Very high	95.6	Very high	75 Å²	75	114.1 Å²	114.1	77%	0.773	63%	0.625	S	S	*	*			trans	-76.8	176.5	174.5	0	0	0	0	0	112.3	L232	L232-G234 PolarHBondContact O-N 2.96Å
235	V	93.3	Very high	95.6	Very high	113 Å²	113	109.8 Å²	109.8	69%	0.685	62%	0.621	S	S	*	*			trans	-114.8	136.6	175.4	-174	0	0	0	0	109.4
236	K	95.4	Very high	95.4	Very high	206 Å²	206	112.2 Å²	112.2	90%	0.896	63%	0.628	S	S	*	*			trans	-86.3	141	169.8	-63.8	-177.4	179.7	-178.1	0	109.2
237	V	95.9	Very high	95.4	Very high	49 Å²	49	111.3 Å²	111.3	30%	0.297	62%	0.622	S	S	.	*			trans	-120.3	148.2	176.8	-66.9	0	0	0	0	109.2	D242 L243 K246	V237-D242 HydrophobicContact CB-CB 3.88Å; V237-D242 HydrophobicContact CG1-CB 4.14Å; V237-L243 HydrophobicContact CG2-CB 3.8Å; V237-L243 HydrophobicContact CG2-CD1 4.11Å; V237-L243 HydrophobicContact CG2-CG 4.48Å; V237-K246 HydrophobicContact CG1-CD 3.75Å
238	E	96.4	Very high	95.4	Very high	191 Å²	191	111.5 Å²	111.5	89%	0.893	62%	0.621	S	S	*	*	S	Bend	trans	-85.9	-29.7	-173.9	-62.4	-172.7	169.1	0	0	112.1
239	T	97.6	Very high	95.3	Very high	65 Å²	65	110.5 Å²	110.5	40%	0.399	62%	0.622	S	S	.	*	S	Bend	trans	-127.1	161.2	-175	70.8	0	0	0	0	112.5	D241 D242 L243	T239-D241 VanDerWaalsContact C-N 3.27Å; T239-D242 PolarHBondContact O-N 3.3Å; T239-D242 WeakPolarHBondContact OG1-CB 3.23Å; T239-D242 PolarHBondContact OG1-N 3.11Å; T239-D242 PolarHBondContact OG1-OD2 3.31Å; T239-L243 PolarHBondContact O-N 3.37Å
240	V	96.9	Very high	95.1	Very high	110 Å²	110	110.2 Å²	110.2	67%	0.667	61%	0.613	S	S	*	*	H	α-helix	trans	-64.5	-36.5	171.6	177.4	0	0	0	0	110.6	D242 L243 V244	V240-D242 PolarHBondContact O-N 3.31Å; V240-L243 WeakPolarHBondContact O-CB 3.43Å; V240-L243 PolarHBondContact O-N 3.5Å; V240-V244 HydrophobicContact CG1-CG2 4.37Å; V240-V244 WeakPolarHBondContact O-CG2 3.27Å; V240-V244 PolarHBondContact O-N 3.23Å
241	D	97.4	Very high	94.9	Very high	131 Å²	131	107.3 Å²	107.3	70%	0.701	61%	0.609	S	S	*	*	H	α-helix	trans	-64	-42	179	-67.4	-29.2	0	0	0	111.4	T239 L243 V244 A245	T239-D241 VanDerWaalsContact C-N 3.27Å; D241-L243 VanDerWaalsContact C-N 3.31Å; D241-L243 PolarHBondContact O-N 3.13Å; D241-V244 PolarHBondContact O-N 3.38Å; D241-A245 VanDerWaalsContact O-CB 3.25Å; D241-A245 WeakPolarHBondContact O-CB 3.39Å; D241-A245 PolarHBondContact O-N 3.05Å
242	D	96.1	Very high	94.7	Very high	73 Å²	73	100.5 Å²	100.5	39%	0.39	59%	0.594	S	S	.	*	H	α-helix	trans	-62.5	-38.7	173.8	-68.5	-40.9	0	0	0	112.2	V237 T239 V240 K246	V237-D242 HydrophobicContact CB-CB 3.88Å; V237-D242 HydrophobicContact CG1-CB 4.14Å; T239-D242 PolarHBondContact O-N 3.3Å; T239-D242 WeakPolarHBondContact OG1-CB 3.23Å; T239-D242 PolarHBondContact OG1-N 3.11Å; T239-D242 PolarHBondContact OG1-OD2 3.31Å; V240-D242 PolarHBondContact O-N 3.31Å; D242-K246 WeakPolarHBondContact O-CB 3.49Å; D242-K246 WeakPolarHBondContact O-CG 3.35Å; D242-K246 PolarHBondContact O-N 2.85Å
243	L	97	Very high	94.3	Very high	81 Å²	81	99.3 Å²	99.3	42%	0.424	59%	0.587	S	S	.	*	H	α-helix	trans	-62.4	-52.5	176.4	-176.6	58.3	0	0	0	110.5	V237 T239 V240 D241 A245 K246 L247	V237-L243 HydrophobicContact CG2-CB 3.8Å; V237-L243 HydrophobicContact CG2-CD1 4.11Å; V237-L243 HydrophobicContact CG2-CG 4.48Å; T239-L243 PolarHBondContact O-N 3.37Å; V240-L243 WeakPolarHBondContact O-CB 3.43Å; V240-L243 PolarHBondContact O-N 3.5Å; D241-L243 VanDerWaalsContact C-N 3.31Å; D241-L243 PolarHBondContact O-N 3.13Å; L243-A245 VanDerWaalsContact C-N 3.33Å; L243-A245 PolarHBondContact O-N 3.47Å; L243-K246 PolarHBondContact O-N 2.83Å; L243-L247 HydrophobicContact CD1-CD1 4.15Å; L243-L247 HydrophobicContact CD1-CG 4.23Å; L243-L247 HydrophobicContact CG-CD1 3.96Å; L243-L247 HydrophobicContact CG-CG 4.44Å; L243-L247 VanDerWaalsContact O-CG 3.27Å; L243-L247 WeakPolarHBondContact O-CG 3.45Å; L243-L247 PolarHBondContact O-N 3.37Å
244	V	96.8	Very high	94.3	Very high	52 Å²	52	99.2 Å²	99.2	32%	0.315	57%	0.574	S	S	.	*	H	α-helix	trans	-61.6	-42.9	-179.7	172.1	0	0	0	0	110.6	V240 D241 K246 L247 K248 I253	V240-V244 HydrophobicContact CG1-CG2 4.37Å; V240-V244 WeakPolarHBondContact O-CG2 3.27Å; V240-V244 PolarHBondContact O-N 3.23Å; D241-V244 PolarHBondContact O-N 3.38Å; V244-K246 PolarHBondContact O-N 3.12Å; V244-L247 PolarHBondContact O-N 2.83Å; V244-K248 HydrophobicContact CG1-CD 4.21Å; V244-K248 HydrophobicContact CG1-CG 4.47Å; V244-K248 WeakPolarHBondContact O-CB 3.44Å; V244-K248 WeakPolarHBondContact O-CG 3.23Å; V244-K248 PolarHBondContact O-N 3.33Å; V244-I253 HydrophobicContact CB-CD1 4.44Å; V244-I253 HydrophobicContact CG1-CD1 3.98Å
245	A	95.7	Very high	94.4	Very high	57 Å²	57	100.5 Å²	100.5	47%	0.471	56%	0.564	S	S	.	*	H	α-helix	trans	-59.5	-45.2	176.6	0	0	0	0	0	111.8	D241 L243 K248 A249	D241-A245 VanDerWaalsContact O-CB 3.25Å; D241-A245 WeakPolarHBondContact O-CB 3.39Å; D241-A245 PolarHBondContact O-N 3.05Å; L243-A245 VanDerWaalsContact C-N 3.33Å; L243-A245 PolarHBondContact O-N 3.47Å; A245-K248 PolarHBondContact O-N 2.89Å; A245-A249 WeakPolarHBondContact O-CB 3.36Å; A245-A249 PolarHBondContact O-N 2.85Å
246	K	94.8	Very high	94.4	Very high	91 Å²	91	99.8 Å²	99.8	40%	0.396	56%	0.557	S	S	.	*	H	α-helix	trans	-66.5	-39.7	176.4	-74.7	-167.5	-174.3	-170	0	112.9	V237 D242 L243 V244 A249 N250	V237-K246 HydrophobicContact CG1-CD 3.75Å; D242-K246 WeakPolarHBondContact O-CB 3.49Å; D242-K246 WeakPolarHBondContact O-CG 3.35Å; D242-K246 PolarHBondContact O-N 2.85Å; L243-K246 PolarHBondContact O-N 2.83Å; V244-K246 PolarHBondContact O-N 3.12Å; K246-A249 PolarHBondContact O-N 3.09Å; K246-N250 WeakPolarHBondContact O-CB 3.27Å; K246-N250 PolarHBondContact O-N 2.8Å; K246-N250 PolarHBondContact O-ND2 2.99Å
247	L	96	Very high	94.4	Very high	58 Å²	58	93.5 Å²	93.5	30%	0.304	54%	0.537	S	S	.	.	H	α-helix	trans	-66.9	-39.4	178.8	-68.5	173.4	0	0	0	111.9	L243 V244 N250 G251 T252 I253	L243-L247 HydrophobicContact CD1-CD1 4.15Å; L243-L247 HydrophobicContact CD1-CG 4.23Å; L243-L247 HydrophobicContact CG-CD1 3.96Å; L243-L247 HydrophobicContact CG-CG 4.44Å; L243-L247 VanDerWaalsContact O-CG 3.27Å; L243-L247 WeakPolarHBondContact O-CG 3.45Å; L243-L247 PolarHBondContact O-N 3.37Å; V244-L247 PolarHBondContact O-N 2.83Å; L247-N250 CarbonylContact O-C 2.95Å; L247-N250 PolarHBondContact O-N 3.09Å; L247-G251 PolarHBondContact O-N 3.1Å; L247-T252 VanDerWaalsContact CA-OG1 3.31Å; L247-T252 WeakPolarHBondContact CA-OG1 3.11Å; L247-T252 WeakPolarHBondContact CB-OG1 3.22Å; L247-T252 VanDerWaalsContact CD2-OG1 3.31Å; L247-T252 WeakPolarHBondContact CD2-OG1 3.31Å; L247-T252 PolarHBondContact O-N 3.17Å; L247-T252 PolarHBondContact O-OG1 2.96Å; L247-I253 HydrophobicContact CB-CD1 3.58Å; L247-I253 HydrophobicContact CB-CG1 3.64Å; L247-I253 HydrophobicContact CD1-CD1 4.04Å; L247-I253 HydrophobicContact CG-CD1 4.48Å
248	K	95	Very high	94.3	Very high	131 Å²	131	96.3 Å²	96.3	57%	0.57	55%	0.552	S	S	*	*	H	α-helix	trans	-63.8	-47	172.7	-75.8	-178.8	177.5	179.1	0	111.9	V244 A245 N250 G251 I253	V244-K248 HydrophobicContact CG1-CD 4.21Å; V244-K248 HydrophobicContact CG1-CG 4.47Å; V244-K248 WeakPolarHBondContact O-CB 3.44Å; V244-K248 WeakPolarHBondContact O-CG 3.23Å; V244-K248 PolarHBondContact O-N 3.33Å; A245-K248 PolarHBondContact O-N 2.89Å; K248-N250 PolarHBondContact O-N 2.79Å; K248-G251 PolarHBondContact O-N 3.37Å; K248-I253 HydrophobicContact CG-CD1 4.24Å; K248-I253 HydrophobicContact CG-CG1 3.82Å
249	A	93.4	Very high	94.2	Very high	85 Å²	85	90 Å²	90	70%	0.702	53%	0.529	S	S	*	.	H	α-helix	trans	-59.4	-31.4	177.1	0	0	0	0	0	112.4	A245 K246	A245-A249 WeakPolarHBondContact O-CB 3.36Å; A245-A249 PolarHBondContact O-N 2.85Å; K246-A249 PolarHBondContact O-N 3.09Å
250	N	91	Very high	93.9	Very high	124 Å²	124	91.8 Å²	91.8	66%	0.663	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	2.3	177.1	-67.5	-20.3	0	0	0	114.1	K246 L247 K248 T252	K246-N250 WeakPolarHBondContact O-CB 3.27Å; K246-N250 PolarHBondContact O-N 2.8Å; K246-N250 PolarHBondContact O-ND2 2.99Å; L247-N250 CarbonylContact O-C 2.95Å; L247-N250 PolarHBondContact O-N 3.09Å; K248-N250 PolarHBondContact O-N 2.79Å; N250-T252 PolarHBondContact O-N 2.65Å
251	G	89.7	Confident	93.7	Very high	67 Å²	67	90.4 Å²	90.4	69%	0.691	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	25	179.3	0	0	0	0	0	114.5	L247 K248	L247-G251 PolarHBondContact O-N 3.1Å; K248-G251 PolarHBondContact O-N 3.37Å
252	T	89.8	Confident	93.4	Very high	92 Å²	92	87 Å²	87	56%	0.564	51%	0.514	S	S	*	.			trans	-94.1	-18.1	179.9	41.9	0	0	0	0	113.6	L247 N250	L247-T252 VanDerWaalsContact CA-OG1 3.31Å; L247-T252 WeakPolarHBondContact CA-OG1 3.11Å; L247-T252 WeakPolarHBondContact CB-OG1 3.22Å; L247-T252 VanDerWaalsContact CD2-OG1 3.31Å; L247-T252 WeakPolarHBondContact CD2-OG1 3.31Å; L247-T252 PolarHBondContact O-N 3.17Å; L247-T252 PolarHBondContact O-OG1 2.96Å; N250-T252 PolarHBondContact O-N 2.65Å
253	I	85.1	Confident	93.1	Very high	133 Å²	133	88.3 Å²	88.3	68%	0.682	53%	0.526	S	S	*	.			trans	-143.9	0	169.2	66.6	-179.4	0	0	0	109.6	V244 L247 K248	V244-I253 HydrophobicContact CB-CD1 4.44Å; V244-I253 HydrophobicContact CG1-CD1 3.98Å; L247-I253 HydrophobicContact CB-CD1 3.58Å; L247-I253 HydrophobicContact CB-CG1 3.64Å; L247-I253 HydrophobicContact CD1-CD1 4.04Å; L247-I253 HydrophobicContact CG-CD1 4.48Å; K248-I253 HydrophobicContact CG-CD1 4.24Å; K248-I253 HydrophobicContact CG-CG1 3.82Å

Retrieved 253 of 253 residues in 656.5 ms (Link to these results)

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