A0A087YLI4_POEFO Loading...

UDP-GlcNAc:betaGal beta-1,3-N-acetylglucosaminyltransferase-like 1

AlphaFold DB , UniProt , Accession A0A087YLI4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 338 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	98.2	Very high	97.9	Very high	18 Å²	18	39.8 Å²	39.8	9%	0.089	21%	0.214	C	C	.	.				0	112.7	0	-177	169.8	69	0	0	109.1	V3 L10 L14 L28 S29 V30 F31 L43 Q89 A91	M1-V3 HydrophobicContact CE-CG2 4.05Å; M1-V3 HydrophobicContact CG-CG2 4.08Å; M1-L10 HydrophobicContact CE-CD2 3.99Å; M1-L10 HydrophobicContact SD-CD2 4.45Å; M1-L14 HydrophobicContact CE-CD2 3.98Å; M1-L28 HydrophobicContact CB-CD1 4.49Å; M1-L28 HydrophobicContact CE-CD1 4.44Å; M1-S29 PolarHBondContact N-O 3.28Å; M1-V30 HydrophobicContact CB-CG2 4.46Å; M1-V30 HydrophobicContact CE-CB 4.36Å; M1-V30 HydrophobicContact CE-CG1 3.82Å; M1-V30 HydrophobicContact CE-CG2 3.59Å; M1-V30 WeakPolarHBondContact O-CA 3.44Å; M1-F31 PolarHBondContact O-N 3.32Å; M1-L43 HydrophobicContact CE-CD2 3.77Å; M1-Q89 WeakPolarHBondContact CA-O 3.27Å; M1-Q89 WeakPolarHBondContact CB-O 3.28Å; M1-Q89 WeakPolarHBondContact CG-O 3.47Å; M1-A91 HydrophobicContact CG-CB 4.34Å; M1-A91 HydrophobicContact SD-CB 4.3Å
2	P	98	Very high	97.9	Very high	13 Å²	13	44.6 Å²	44.6	8%	0.084	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	142.2	166.9	34.6	-34.9	0	0	0	109.9	V70 A73 K74 Q89	P2-V70 HydrophobicContact CG-CG1 4.21Å; P2-A73 HydrophobicContact CB-CB 3.52Å; P2-K74 HydrophobicContact CB-CG 4.09Å; P2-K74 HydrophobicContact CG-CD 4.5Å; P2-K74 HydrophobicContact CG-CG 3.76Å; P2-Q89 WeakPolarHBondContact CD-O 3.47Å
3	V	98.3	Very high	98	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.018	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	131.7	179.2	176.5	0	0	0	0	109.6	M1 A6 L10 V30 F31 D32 D33 L43 A91	M1-V3 HydrophobicContact CE-CG2 4.05Å; M1-V3 HydrophobicContact CG-CG2 4.08Å; V3-A6 HydrophobicContact CG1-CB 4.26Å; V3-L10 HydrophobicContact CG1-CD1 4.37Å; V3-L10 HydrophobicContact CG2-CD2 4.33Å; V3-V30 HydrophobicContact CB-CG1 4.33Å; V3-V30 HydrophobicContact CG2-CG1 3.48Å; V3-V30 VanDerWaalsContact CG2-CG1 3.48Å; V3-F31 PolarHBondContact N-O 3.21Å; V3-D32 WeakPolarHBondContact O-CA 3.48Å; V3-D33 PolarHBondContact O-N 3.06Å; V3-L43 HydrophobicContact CG1-CD1 4.26Å; V3-L43 HydrophobicContact CG2-CD1 4.25Å; V3-A91 HydrophobicContact CG2-CB 3.99Å
4	H	97.4	Very high	98.1	Very high	77 Å²	77	38.4 Å²	38.4	36%	0.356	20%	0.201	S	C	.	.	S	Bend	trans	-150.9	114	165.1	178.4	75.4	0	0	0	108.2	A6 D33 A34 S35	H4-A6 PolarHBondContact O-N 3.19Å; H4-D33 HydrophobicContact CB-CB 4.49Å; H4-D33 PolarHBondContact ND1-O 2.76Å; H4-A34 PolarHBondContact CE1-O 3.03Å; H4-A34 VanDerWaalsContact CE1-O 3.26Å; H4-A34 PolarHBondContact ND1-O 2.86Å; H4-S35 WeakPolarHBondContact CA-OG 3.33Å
5	N	97.3	Very high	98.1	Very high	50 Å²	50	41.5 Å²	41.5	27%	0.267	22%	0.215	S	C	.	.	S	Bend	trans	52	54.1	177.7	-68.9	-27.4	0	0	0	114.3	S35 T36 D37	N5-S35 PolarHBondContact N-OG 3.29Å; N5-S35 WeakPolarHBondContact OD1-CA 3.18Å; N5-T36 PolarHBondContact ND2-OG1 3.35Å; N5-T36 PolarHBondContact OD1-N 2.71Å; N5-T36 PolarHBondContact OD1-OG1 3.44Å; N5-D37 WeakPolarHBondContact CA-OD1 3.38Å; N5-D37 VanDerWaalsContact CA-OD2 3.3Å; N5-D37 WeakPolarHBondContact CA-OD2 3.5Å; N5-D37 PolarHBondContact OD1-N 3.42Å; N5-D37 VanDerWaalsContact OD1-N 3.16Å; N5-D37 PolarHBondContact OD1-OD1 3.5Å
6	A	97.5	Very high	98.1	Very high	4 Å²	4	39.6 Å²	39.6	3%	0.033	21%	0.206	C	C	.	.			trans	-116.4	17.2	-175.6	0	0	0	0	0	113.6	V3 H4 C8 W9 L10 D37 S39 A91	V3-A6 HydrophobicContact CG1-CB 4.26Å; H4-A6 PolarHBondContact O-N 3.19Å; A6-C8 PolarHBondContact O-N 3.27Å; A6-W9 HydrophobicContact CB-CE3 3.92Å; A6-W9 HydrophobicContact CB-CZ3 4.4Å; A6-W9 PolarHBondContact O-N 3.04Å; A6-L10 HydrophobicContact CB-CD1 4.48Å; A6-L10 HydrophobicContact CB-CG 4.24Å; A6-L10 WeakPolarHBondContact O-CG 3.15Å; A6-L10 PolarHBondContact O-N 2.9Å; A6-L10 VanDerWaalsContact O-N 3.13Å; A6-D37 PolarHBondContact N-OD2 2.96Å; A6-S39 PolarHBondContact N-OG 2.97Å; A6-A91 HydrophobicContact CB-CB 3.58Å
7	S	97.9	Very high	98.1	Very high	39 Å²	39	37.5 Å²	37.5	27%	0.273	20%	0.196	S	C	.	.	H	α-helix	trans	-52.7	-34.3	-174.2	55.7	0	0	0	0	113.8	W9 D37 S39	S7-W9 VanDerWaalsContact C-N 3.3Å; S7-W9 PolarHBondContact O-N 2.81Å; S7-D37 WeakPolarHBondContact CB-OD2 3.3Å; S7-D37 PolarHBondContact N-OD2 3.39Å; S7-D37 PolarHBondContact OG-OD2 3.33Å; S7-S39 PolarHBondContact N-OG 3.49Å
8	C	97.6	Very high	98.1	Very high	89 Å²	89	36.6 Å²	36.6	60%	0.601	19%	0.192	S	C	*	.	H	α-helix	trans	-72.9	-15.3	-179.5	58.9	0	0	0	0	114.9	A6	A6-C8 PolarHBondContact O-N 3.27Å
9	W	98.1	Very high	98.1	Very high	50 Å²	50	39.9 Å²	39.9	19%	0.189	21%	0.206	C	C	.	.	H	α-helix	trans	-113.9	-20.3	-179	-54.9	-57.9	0	0	0	113.6	A6 S7 E11 E12 C13 A91 D92 H209	A6-W9 HydrophobicContact CB-CE3 3.92Å; A6-W9 HydrophobicContact CB-CZ3 4.4Å; A6-W9 PolarHBondContact O-N 3.04Å; S7-W9 VanDerWaalsContact C-N 3.3Å; S7-W9 PolarHBondContact O-N 2.81Å; W9-E11 VanDerWaalsContact C-N 3.3Å; W9-E11 PolarHBondContact O-N 3.14Å; W9-E12 PolarHBondContact O-N 3.26Å; W9-C13 PolarHBondContact O-N 3.46Å; W9-C13 VanDerWaalsContact O-N 3.12Å; W9-A91 WeakPolarHBondContact CB-O 3.26Å; W9-D92 HydrophobicContact CB-CB 4.41Å; W9-D92 HydrophobicContact CD2-CB 3.8Å; W9-D92 HydrophobicContact CE3-CB 3.73Å; W9-D92 HydrophobicContact CG-CB 4.11Å; W9-D92 HydrophobicContact CZ3-CB 4.33Å; W9-H209 AromaticContact CH2-CE1 3.38Å; W9-H209 WeakPolarHBondContact CH2-CE1 3.44Å; W9-H209 AromaticContact CH2-ND1 3.58Å; W9-H209 AromaticContact CH2-NE2 3.82Å; W9-H209 HydrophobicContact CZ2-CB 4.43Å; W9-H209 AromaticContact CZ2-CD2 3.88Å; W9-H209 AromaticContact CZ2-CE1 3.79Å; W9-H209 AromaticContact CZ2-CG 3.76Å; W9-H209 AromaticContact CZ2-ND1 3.71Å; W9-H209 AromaticContact CZ2-NE2 3.91Å; W9-H209 AromaticContact CZ3-CE1 3.99Å
10	L	98.4	Very high	98.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58.7	-35.9	-172.8	-82	169.2	0	0	0	113.7	M1 V3 A6 E12 C13 L14 V42 L43 A91	M1-L10 HydrophobicContact CE-CD2 3.99Å; M1-L10 HydrophobicContact SD-CD2 4.45Å; V3-L10 HydrophobicContact CG1-CD1 4.37Å; V3-L10 HydrophobicContact CG2-CD2 4.33Å; A6-L10 HydrophobicContact CB-CD1 4.48Å; A6-L10 HydrophobicContact CB-CG 4.24Å; A6-L10 WeakPolarHBondContact O-CG 3.15Å; A6-L10 PolarHBondContact O-N 2.9Å; A6-L10 VanDerWaalsContact O-N 3.13Å; L10-E12 PolarHBondContact O-N 2.84Å; L10-C13 PolarHBondContact O-N 3.5Å; L10-L14 HydrophobicContact CB-CD1 4.14Å; L10-L14 HydrophobicContact CD2-CD1 4.35Å; L10-L14 VanDerWaalsContact O-CB 3.23Å; L10-L14 WeakPolarHBondContact O-CB 3.42Å; L10-L14 WeakPolarHBondContact O-CD1 3.27Å; L10-L14 WeakPolarHBondContact O-CG 3.14Å; L10-L14 PolarHBondContact O-N 2.93Å; L10-V42 HydrophobicContact CB-CB 4.43Å; L10-V42 HydrophobicContact CB-CG1 3.71Å; L10-V42 HydrophobicContact CD1-CB 4.31Å; L10-V42 HydrophobicContact CD1-CG1 4.43Å; L10-L43 HydrophobicContact CD1-CD2 4.34Å; L10-L43 HydrophobicContact CD1-CG 4.03Å; L10-L43 HydrophobicContact CD2-CD2 3.83Å; L10-L43 HydrophobicContact CD2-CG 4.42Å; L10-A91 HydrophobicContact CD2-CB 4.04Å
11	E	98.3	Very high	98.1	Very high	95 Å²	95	38.9 Å²	38.9	44%	0.444	20%	0.201	S	C	.	.	H	α-helix	trans	-59.9	-47.6	179.1	-167.9	72	-166.5	0	0	111.4	W9 Q15 W46 R49	W9-E11 VanDerWaalsContact C-N 3.3Å; W9-E11 PolarHBondContact O-N 3.14Å; E11-Q15 WeakPolarHBondContact O-CB 3.47Å; E11-Q15 PolarHBondContact O-N 2.86Å; E11-W46 HydrophobicContact CG-CZ2 4.11Å; E11-W46 WeakPolarHBondContact OE1-CZ2 3.16Å; E11-W46 PolarHBondContact OE2-NE1 3.09Å; E11-R49 IonicContact OE1-NH1 3.96Å; E11-R49 PolarHBondContact OE1-NH1 3.01Å
12	E	98.3	Very high	98.1	Very high	97 Å²	97	39.6 Å²	39.6	45%	0.453	20%	0.204	S	C	.	.	H	α-helix	trans	-67.9	-41.4	178.9	-66.4	-178.8	177.8	0	0	111.6	W9 L10 A16 I94 R207	W9-E12 PolarHBondContact O-N 3.26Å; L10-E12 PolarHBondContact O-N 2.84Å; E12-A16 WeakPolarHBondContact O-CB 3.36Å; E12-A16 PolarHBondContact O-N 3.35Å; E12-I94 HydrophobicContact CB-CD1 4.09Å; E12-I94 HydrophobicContact CB-CG1 4.29Å; E12-R207 IonicContact OE2-CZ 2.9Å; E12-R207 IonicContact OE2-NH2 3.73Å; E12-R207 PolarHBondContact OE2-NH2 3.38Å
13	C	98.7	Very high	98	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.4	-48.1	178.8	-179.7	0	0	0	0	111.9	W9 L10 A16 I17 A91 D93	W9-C13 PolarHBondContact O-N 3.46Å; W9-C13 VanDerWaalsContact O-N 3.12Å; L10-C13 PolarHBondContact O-N 3.5Å; C13-A16 PolarHBondContact O-N 3.19Å; C13-I17 WeakPolarHBondContact O-CG1 3.47Å; C13-I17 PolarHBondContact O-N 3.38Å; C13-A91 WeakPolarHBondContact CB-O 3.44Å; C13-D93 WeakPolarHBondContact CB-O 3.24Å; C13-D93 PolarHBondContact SG-O 2.7Å
14	L	98.7	Very high	97.9	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-69.5	-40.7	-179.3	-65.5	166.2	0	0	0	111.6	M1 L10 A16 I17 V18 L28 V42 L43 W46 M50	M1-L14 HydrophobicContact CE-CD2 3.98Å; L10-L14 HydrophobicContact CB-CD1 4.14Å; L10-L14 HydrophobicContact CD2-CD1 4.35Å; L10-L14 VanDerWaalsContact O-CB 3.23Å; L10-L14 WeakPolarHBondContact O-CB 3.42Å; L10-L14 WeakPolarHBondContact O-CD1 3.27Å; L10-L14 WeakPolarHBondContact O-CG 3.14Å; L10-L14 PolarHBondContact O-N 2.93Å; L14-A16 VanDerWaalsContact C-N 3.29Å; L14-A16 PolarHBondContact O-N 3.43Å; L14-I17 HydrophobicContact CD2-CD1 4.37Å; L14-I17 PolarHBondContact O-N 3.3Å; L14-V18 PolarHBondContact O-N 3.16Å; L14-L28 HydrophobicContact CD2-CD2 3.62Å; L14-V42 HydrophobicContact CD1-CG1 4.26Å; L14-L43 HydrophobicContact CD1-CD2 4.2Å; L14-L43 HydrophobicContact CD2-CD2 4.3Å; L14-W46 HydrophobicContact CB-CD2 3.63Å; L14-W46 HydrophobicContact CB-CE3 3.93Å; L14-W46 HydrophobicContact CB-CG 3.98Å; L14-W46 HydrophobicContact CB-CH2 4.38Å; L14-W46 HydrophobicContact CB-CZ2 4.12Å; L14-W46 HydrophobicContact CB-CZ3 4.32Å; L14-W46 HydrophobicContact CD1-CB 3.9Å; L14-W46 HydrophobicContact CD1-CD2 4.06Å; L14-W46 HydrophobicContact CD1-CG 3.49Å; L14-W46 VanDerWaalsContact CD1-CG 3.49Å; L14-W46 HydrophobicContact CG-CD2 4.45Å; L14-W46 HydrophobicContact CG-CG 4.29Å; L14-M50 HydrophobicContact CB-CE 3.78Å; L14-M50 HydrophobicContact CD2-CE 3.68Å; L14-M50 HydrophobicContact CG-CE 4.34Å; L14-M50 VanDerWaalsContact O-CE 3.28Å; L14-M50 WeakPolarHBondContact O-CE 3.48Å
15	Q	98.6	Very high	97.9	Very high	86 Å²	86	49.5 Å²	49.5	40%	0.402	28%	0.282	S	S	.	.	H	α-helix	trans	-55.2	-46.7	171.6	-178.1	76.2	-14.2	0	0	110.3	E11 I17 V18 H19 W46	E11-Q15 WeakPolarHBondContact O-CB 3.47Å; E11-Q15 PolarHBondContact O-N 2.86Å; Q15-I17 VanDerWaalsContact C-N 3.31Å; Q15-I17 PolarHBondContact O-N 3.32Å; Q15-V18 PolarHBondContact O-N 2.88Å; Q15-H19 PolarHBondContact NE2-CE1 3.37Å; Q15-H19 PolarHBondContact O-N 2.82Å; Q15-H19 VanDerWaalsContact O-N 3.16Å; Q15-H19 PolarHBondContact O-ND1 3.06Å; Q15-W46 VanDerWaalsContact CA-CH2 3.5Å; Q15-W46 HydrophobicContact CB-CH2 3.72Å; Q15-W46 HydrophobicContact CB-CZ2 4.27Å
16	A	98.5	Very high	97.9	Very high	10 Å²	10	49 Å²	49	8%	0.083	28%	0.279	C	S	.	.	H	α-helix	trans	-64.5	-30.7	-179.6	0	0	0	0	0	114.7	E12 C13 L14 H19 Q20 I94 M95	E12-A16 WeakPolarHBondContact O-CB 3.36Å; E12-A16 PolarHBondContact O-N 3.35Å; C13-A16 PolarHBondContact O-N 3.19Å; L14-A16 VanDerWaalsContact C-N 3.29Å; L14-A16 PolarHBondContact O-N 3.43Å; A16-H19 PolarHBondContact O-N 3.48Å; A16-Q20 PolarHBondContact O-NE2 3.17Å; A16-I94 HydrophobicContact CB-CB 4.49Å; A16-I94 HydrophobicContact CB-CG2 3.41Å; A16-I94 VanDerWaalsContact CB-CG2 3.41Å; A16-M95 HydrophobicContact CB-CG 4.02Å; A16-M95 WeakPolarHBondContact CB-O 3.43Å
17	I	98.5	Very high	98	Very high	5 Å²	5	51.2 Å²	51.2	3%	0.026	29%	0.288	C	S	.	.	H	α-helix	trans	-66.8	-44.7	173.5	-69.3	160.7	0	0	0	110.7	C13 L14 Q15 H19 Q20 L28 M50 I55 M95	C13-I17 WeakPolarHBondContact O-CG1 3.47Å; C13-I17 PolarHBondContact O-N 3.38Å; L14-I17 HydrophobicContact CD2-CD1 4.37Å; L14-I17 PolarHBondContact O-N 3.3Å; Q15-I17 VanDerWaalsContact C-N 3.31Å; Q15-I17 PolarHBondContact O-N 3.32Å; I17-H19 PolarHBondContact O-N 3.23Å; I17-Q20 WeakPolarHBondContact O-CG 3.41Å; I17-Q20 PolarHBondContact O-N 3.3Å; I17-L28 HydrophobicContact CD1-CD1 3.92Å; I17-L28 HydrophobicContact CD1-CD2 4.27Å; I17-M50 HydrophobicContact CB-CE 4.08Å; I17-M50 HydrophobicContact CG2-CE 4.02Å; I17-M50 HydrophobicContact CG2-SD 4.01Å; I17-I55 HydrophobicContact CG2-CD1 4.22Å; I17-M95 HydrophobicContact CB-SD 4.4Å; I17-M95 HydrophobicContact CD1-CE 4.39Å; I17-M95 HydrophobicContact CG1-CE 3.55Å; I17-M95 HydrophobicContact CG1-CG 4.46Å; I17-M95 HydrophobicContact CG1-SD 3.79Å
18	V	97.9	Very high	98	Very high	21 Å²	21	50 Å²	50	13%	0.127	28%	0.279	C	S	.	.	H	α-helix	trans	-62.3	-32.8	177.7	172.6	0	0	0	0	112	L14 Q15 Q20 W46 M50 R53	L14-V18 PolarHBondContact O-N 3.16Å; Q15-V18 PolarHBondContact O-N 2.88Å; V18-Q20 VanDerWaalsContact C-N 3.29Å; V18-Q20 PolarHBondContact O-N 3.2Å; V18-W46 HydrophobicContact CG2-CE3 4.37Å; V18-W46 HydrophobicContact CG2-CZ3 3.99Å; V18-M50 HydrophobicContact CG2-CE 3.67Å; V18-M50 HydrophobicContact CG2-CG 4.29Å; V18-M50 HydrophobicContact CG2-SD 3.43Å; V18-M50 WeakPolarHBondContact CG2-SD 3.21Å; V18-R53 HydrophobicContact CG1-CB 4.15Å; V18-R53 HydrophobicContact CG1-CG 4.02Å; V18-R53 PolarHBondContact O-NE 3.44Å
19	H	97.6	Very high	98.1	Very high	100 Å²	100	46.5 Å²	46.5	46%	0.463	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	8.3	-177.4	-71.6	80.9	0	0	0	114.6	Q15 A16 I17 D21 P97	Q15-H19 PolarHBondContact NE2-CE1 3.37Å; Q15-H19 PolarHBondContact O-N 2.82Å; Q15-H19 VanDerWaalsContact O-N 3.16Å; Q15-H19 PolarHBondContact O-ND1 3.06Å; A16-H19 PolarHBondContact O-N 3.48Å; I17-H19 PolarHBondContact O-N 3.23Å; H19-D21 PolarHBondContact O-N 3.2Å; H19-P97 WeakPolarHBondContact O-CB 3.49Å
20	Q	98.6	Very high	98.1	Very high	5 Å²	5	44.1 Å²	44.1	2%	0.023	25%	0.246	C	C	.	.			trans	-61.6	139	173.5	-68	-59.1	-70.6	0	0	111.4	A16 I17 V18 F22 M26 R53 M95 L96 P97 V100	A16-Q20 PolarHBondContact O-NE2 3.17Å; I17-Q20 WeakPolarHBondContact O-CG 3.41Å; I17-Q20 PolarHBondContact O-N 3.3Å; V18-Q20 VanDerWaalsContact C-N 3.29Å; V18-Q20 PolarHBondContact O-N 3.2Å; Q20-F22 PolarHBondContact O-N 3.19Å; Q20-M26 HydrophobicContact CB-CE 4.34Å; Q20-M26 HydrophobicContact CB-SD 4.25Å; Q20-M26 HydrophobicContact CG-CE 4.18Å; Q20-R53 PolarHBondContact O-NH2 3.42Å; Q20-M95 HydrophobicContact CG-SD 3.62Å; Q20-M95 VanDerWaalsContact NE2-CG 3.31Å; Q20-M95 PolarHBondContact NE2-SD 3.34Å; Q20-M95 VanDerWaalsContact NE2-SD 3.43Å; Q20-L96 PolarHBondContact NE2-O 2.75Å; Q20-L96 PolarHBondContact OE1-O 3.42Å; Q20-P97 WeakPolarHBondContact CA-O 3.21Å; Q20-P97 PolarHBondContact OE1-O 2.65Å; Q20-V100 HydrophobicContact CG-CB 4.47Å; Q20-V100 HydrophobicContact CG-CG2 3.92Å
21	D	97.9	Very high	98.1	Very high	53 Å²	53	44.5 Å²	44.5	28%	0.283	25%	0.248	S	C	.	.			trans	-85.9	5.9	178.5	79.7	-1.2	0	0	0	113.2	H19 P97 Q98 R101	H19-D21 PolarHBondContact O-N 3.2Å; D21-P97 PolarHBondContact N-O 2.84Å; D21-Q98 WeakPolarHBondContact OD2-CG 3.4Å; D21-R101 VanDerWaalsContact CG-NE 3.29Å; D21-R101 VanDerWaalsContact OD1-CB 3.3Å; D21-R101 WeakPolarHBondContact OD1-CB 3.31Å; D21-R101 IonicContact OD1-CZ 3.43Å; D21-R101 IonicContact OD1-NE 3.14Å; D21-R101 PolarHBondContact OD1-NE 2.84Å; D21-R101 IonicContact OD1-NH2 2.81Å; D21-R101 IonicContact OD2-CZ 3.04Å; D21-R101 IonicContact OD2-NE 3.79Å; D21-R101 PolarHBondContact OD2-NE 3.1Å; D21-R101 VanDerWaalsContact OD2-NE 3.14Å; D21-R101 IonicContact OD2-NH2 3.78Å; D21-R101 PolarHBondContact OD2-NH2 2.8Å
22	F	98.1	Very high	98.1	Very high	32 Å²	32	40.7 Å²	40.7	14%	0.14	23%	0.23	C	C	.	.			trans	-72	129.7	179.5	-175.4	-118.4	0	0	0	111	Q20 M26 V100 R101 Y104	Q20-F22 PolarHBondContact O-N 3.19Å; F22-M26 HydrophobicContact CB-SD 4.1Å; F22-M26 HydrophobicContact CD1-CG 3.64Å; F22-M26 HydrophobicContact CD1-SD 3.78Å; F22-M26 HydrophobicContact CE1-CG 4.13Å; F22-M26 HydrophobicContact CG-SD 4.42Å; F22-V100 HydrophobicContact CB-CB 4.1Å; F22-V100 HydrophobicContact CB-CG1 3.86Å; F22-V100 HydrophobicContact CD1-CG1 3.73Å; F22-V100 HydrophobicContact CD2-CG1 4.26Å; F22-V100 HydrophobicContact CE1-CG1 4.28Å; F22-V100 HydrophobicContact CG-CB 4.45Å; F22-V100 HydrophobicContact CG-CG1 3.69Å; F22-R101 HydrophobicContact CB-CB 4.26Å; F22-R101 HydrophobicContact CD2-CB 3.96Å; F22-R101 HydrophobicContact CD2-CG 4.33Å; F22-Y104 AromaticContact CE2-CD1 3.59Å; F22-Y104 HydrophobicContact CE2-CD1 3.59Å; F22-Y104 HydrophobicContact CE2-CD2 4.49Å; F22-Y104 HydrophobicContact CE2-CE1 4.13Å; F22-Y104 AromaticContact CE2-CG 3.79Å; F22-Y104 HydrophobicContact CE2-CG 3.79Å; F22-Y104 HydrophobicContact CZ-CD1 4.07Å; F22-Y104 HydrophobicContact CZ-CD2 4.26Å; F22-Y104 HydrophobicContact CZ-CE1 4.35Å; F22-Y104 HydrophobicContact CZ-CG 4.01Å
23	T	96.2	Very high	98.1	Very high	140 Å²	140	36.3 Å²	36.3	86%	0.859	21%	0.21	S	C	*	.			trans	-96.1	-4.2	-177	59.3	0	0	0	0	113.5
24	G	95.9	Very high	98	Very high	35 Å²	35	36.9 Å²	36.9	36%	0.361	22%	0.215	S	C	.	.	S	Bend	trans	-82.8	173.9	174.4	0	0	0	0	0	112.4
25	S	97.2	Very high	98	Very high	126 Å²	126	37.9 Å²	37.9	88%	0.881	22%	0.222	S	C	*	.			trans	-70.1	132.5	177.5	-52.3	0	0	0	0	111.5
26	M	97.9	Very high	97.9	Very high	40 Å²	40	39.3 Å²	39.3	20%	0.197	24%	0.237	C	C	.	.			trans	-123.5	148.8	175.3	-68.8	177.3	57.1	0	0	110.1	Q20 F22 I55 V100	Q20-M26 HydrophobicContact CB-CE 4.34Å; Q20-M26 HydrophobicContact CB-SD 4.25Å; Q20-M26 HydrophobicContact CG-CE 4.18Å; F22-M26 HydrophobicContact CB-SD 4.1Å; F22-M26 HydrophobicContact CD1-CG 3.64Å; F22-M26 HydrophobicContact CD1-SD 3.78Å; F22-M26 HydrophobicContact CE1-CG 4.13Å; F22-M26 HydrophobicContact CG-SD 4.42Å; M26-I55 HydrophobicContact CB-CG1 4.29Å; M26-I55 HydrophobicContact CB-CG2 4.41Å; M26-V100 HydrophobicContact CE-CG1 4.49Å; M26-V100 HydrophobicContact CE-CG2 4.07Å; M26-V100 HydrophobicContact SD-CG1 4.15Å
27	E	98.3	Very high	97.9	Very high	50 Å²	50	41.3 Å²	41.3	23%	0.234	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	147.3	165	70.6	-174.6	172.1	0	0	108	S56 S81 S82 G83	E27-S56 CarbonylContact C-O 3.6Å; E27-S56 VanDerWaalsContact CA-O 3.28Å; E27-S56 WeakPolarHBondContact CA-O 3.46Å; E27-S56 WeakPolarHBondContact CB-OG 3.45Å; E27-S81 WeakPolarHBondContact OE1-CA 3.39Å; E27-S81 VanDerWaalsContact OE1-CB 3.26Å; E27-S81 WeakPolarHBondContact OE1-CB 3.28Å; E27-S82 WeakPolarHBondContact OE1-CA 3.45Å; E27-S82 PolarHBondContact OE1-N 2.99Å; E27-S82 PolarHBondContact OE1-OG 2.89Å; E27-S82 PolarHBondContact OE2-N 3.09Å; E27-S82 PolarHBondContact OE2-OG 3.29Å; E27-G83 PolarHBondContact OE1-N 3.16Å
28	L	98.7	Very high	97.8	Very high	15 Å²	15	45.6 Å²	45.6	8%	0.079	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	111	171.1	177.2	58.2	0	0	0	109	M1 L14 I17 V30 M50 I55 S56 V57 V58	M1-L28 HydrophobicContact CB-CD1 4.49Å; M1-L28 HydrophobicContact CE-CD1 4.44Å; L14-L28 HydrophobicContact CD2-CD2 3.62Å; I17-L28 HydrophobicContact CD1-CD1 3.92Å; I17-L28 HydrophobicContact CD1-CD2 4.27Å; L28-V30 HydrophobicContact CD1-CG2 3.96Å; L28-V30 HydrophobicContact CD2-CG2 4.09Å; L28-V30 HydrophobicContact CG-CG2 3.68Å; L28-M50 HydrophobicContact CD2-CE 3.78Å; L28-M50 HydrophobicContact CD2-SD 4.19Å; L28-I55 HydrophobicContact CB-CG2 4.06Å; L28-S56 PolarHBondContact N-O 3.42Å; L28-V57 HydrophobicContact CB-CG2 4.38Å; L28-V57 WeakPolarHBondContact O-CA 3.4Å; L28-V58 PolarHBondContact O-N 2.66Å
29	S	98.8	Very high	97.9	Very high	14 Å²	14	44.6 Å²	44.6	10%	0.098	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	116.6	173.9	-179.9	0	0	0	0	110.9	M1 A77 Q80	M1-S29 PolarHBondContact N-O 3.28Å; S29-A77 WeakPolarHBondContact CB-O 3.43Å; S29-A77 PolarHBondContact OG-O 2.98Å; S29-Q80 WeakPolarHBondContact OG-CG 3.25Å; S29-Q80 PolarHBondContact OG-NE2 3.12Å
30	V	98.8	Very high	97.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	133.8	-176.7	-167.6	0	0	0	0	110.7	M1 V3 L28 L43 V58 I59 S60 Q80	M1-V30 HydrophobicContact CB-CG2 4.46Å; M1-V30 HydrophobicContact CE-CB 4.36Å; M1-V30 HydrophobicContact CE-CG1 3.82Å; M1-V30 HydrophobicContact CE-CG2 3.59Å; M1-V30 WeakPolarHBondContact O-CA 3.44Å; V3-V30 HydrophobicContact CB-CG1 4.33Å; V3-V30 HydrophobicContact CG2-CG1 3.48Å; V3-V30 VanDerWaalsContact CG2-CG1 3.48Å; L28-V30 HydrophobicContact CD1-CG2 3.96Å; L28-V30 HydrophobicContact CD2-CG2 4.09Å; L28-V30 HydrophobicContact CG-CG2 3.68Å; V30-L43 HydrophobicContact CG1-CD1 3.76Å; V30-L43 HydrophobicContact CG1-CD2 3.88Å; V30-L43 HydrophobicContact CG1-CG 4.49Å; V30-L43 HydrophobicContact CG2-CD2 4.26Å; V30-V58 PolarHBondContact N-O 3.37Å; V30-I59 HydrophobicContact CB-CG1 4.2Å; V30-I59 HydrophobicContact CB-CG2 4.32Å; V30-I59 HydrophobicContact CG2-CG1 4.38Å; V30-I59 WeakPolarHBondContact O-CA 3.48Å; V30-S60 PolarHBondContact O-N 3.22Å; V30-S60 VanDerWaalsContact O-N 3.1Å; V30-Q80 PolarHBondContact O-NE2 3.46Å
31	F	98.7	Very high	97.9	Very high	8 Å²	8	51.1 Å²	51.1	4%	0.035	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	115.6	170.4	-166.3	-88.7	0	0	0	110.1	M1 V3 D33 S60 H62 F72 A73 K76 A77	M1-F31 PolarHBondContact O-N 3.32Å; V3-F31 PolarHBondContact N-O 3.21Å; F31-D33 HydrophobicContact CD1-CB 4.46Å; F31-S60 WeakPolarHBondContact CA-O 3.49Å; F31-S60 WeakPolarHBondContact CD2-OG 3.38Å; F31-S60 WeakPolarHBondContact CE2-OG 3.46Å; F31-H62 HydrophobicContact CZ-CB 4.39Å; F31-F72 HydrophobicContact CD1-CE1 4.42Å; F31-F72 HydrophobicContact CE1-CD1 4.06Å; F31-F72 AromaticContact CE1-CE1 3.47Å; F31-F72 HydrophobicContact CE1-CE1 3.47Å; F31-F72 VanDerWaalsContact CE1-CE1 3.47Å; F31-F72 HydrophobicContact CE1-CZ 4.43Å; F31-F72 AromaticContact CZ-CE1 3.72Å; F31-F72 HydrophobicContact CZ-CE1 3.72Å; F31-F72 HydrophobicContact CZ-CZ 4.27Å; F31-A73 WeakPolarHBondContact CB-O 3.49Å; F31-A73 HydrophobicContact CD1-CB 3.92Å; F31-K76 HydrophobicContact CB-CB 4.16Å; F31-K76 HydrophobicContact CD1-CB 4.03Å; F31-K76 HydrophobicContact CD1-CG 4.42Å; F31-K76 HydrophobicContact CD2-CB 3.2Å; F31-K76 HydrophobicContact CD2-CG 3.99Å; F31-K76 HydrophobicContact CE1-CB 4.27Å; F31-K76 HydrophobicContact CE1-CG 4.2Å; F31-K76 HydrophobicContact CE2-CB 3.48Å; F31-K76 VanDerWaalsContact CE2-CB 3.48Å; F31-K76 HydrophobicContact CE2-CD 4.44Å; F31-K76 HydrophobicContact CE2-CG 3.73Å; F31-K76 HydrophobicContact CG-CB 3.5Å; F31-K76 VanDerWaalsContact CG-CB 3.5Å; F31-K76 HydrophobicContact CG-CG 4.31Å; F31-K76 HydrophobicContact CZ-CB 4Å; F31-K76 HydrophobicContact CZ-CG 3.84Å; F31-A77 HydrophobicContact CB-CB 4.12Å
32	D	98.6	Very high	97.9	Very high	16 Å²	16	50.1 Å²	50.1	9%	0.086	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	107.1	176.1	-179.9	11.5	0	0	0	110.2	V3 A34 S35 S60 G61	V3-D32 WeakPolarHBondContact O-CA 3.48Å; D32-A34 VanDerWaalsContact C-N 3.28Å; D32-A34 PolarHBondContact O-N 2.84Å; D32-A34 VanDerWaalsContact O-N 3.12Å; D32-S35 WeakPolarHBondContact OD1-CB 3.25Å; D32-S35 PolarHBondContact OD1-N 3.22Å; D32-S35 PolarHBondContact OD1-OG 3.44Å; D32-S60 PolarHBondContact N-O 3.23Å; D32-G61 WeakPolarHBondContact O-CA 3.39Å
33	D	97.8	Very high	97.9	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.021	28%	0.278	C	S	.	.			trans	-88	63.1	-176.7	-167.9	32.1	0	0	0	110.6	V3 H4 F31 H62 P67 R68 G69 A73	V3-D33 PolarHBondContact O-N 3.06Å; H4-D33 HydrophobicContact CB-CB 4.49Å; H4-D33 PolarHBondContact ND1-O 2.76Å; F31-D33 HydrophobicContact CD1-CB 4.46Å; D33-H62 IonicContact OD1-CD2 2.67Å; D33-H62 IonicContact OD1-CE1 3.15Å; D33-H62 IonicContact OD1-NE2 2.99Å; D33-H62 PolarHBondContact OD1-NE2 2.99Å; D33-H62 VanDerWaalsContact OD1-NE2 3.08Å; D33-P67 WeakPolarHBondContact O-CA 3.13Å; D33-P67 WeakPolarHBondContact O-CB 3.29Å; D33-P67 WeakPolarHBondContact OD2-CA 3.23Å; D33-P67 VanDerWaalsContact OD2-CB 3.28Å; D33-P67 WeakPolarHBondContact OD2-CB 3.49Å; D33-R68 VanDerWaalsContact CG-N 3.31Å; D33-R68 PolarHBondContact OD1-N 3.04Å; D33-R68 PolarHBondContact OD2-N 3.31Å; D33-G69 PolarHBondContact OD2-N 2.85Å; D33-A73 HydrophobicContact CB-CB 3.98Å
34	A	97.4	Very high	98	Very high	13 Å²	13	45.4 Å²	45.4	11%	0.107	25%	0.252	C	S	.	.	S	Bend	trans	59.2	52.7	179.1	0	0	0	0	0	114.7	H4 D32 S64	H4-A34 PolarHBondContact CE1-O 3.03Å; H4-A34 VanDerWaalsContact CE1-O 3.26Å; H4-A34 PolarHBondContact ND1-O 2.86Å; D32-A34 VanDerWaalsContact C-N 3.28Å; D32-A34 PolarHBondContact O-N 2.84Å; D32-A34 VanDerWaalsContact O-N 3.12Å; A34-S64 WeakPolarHBondContact CB-O 3.4Å
35	S	97.8	Very high	98.1	Very high	23 Å²	23	46.3 Å²	46.3	16%	0.161	26%	0.262	C	S	.	.			trans	-60	143	166.8	-57.9	0	0	0	0	111.5	H4 N5 D32	H4-S35 WeakPolarHBondContact CA-OG 3.33Å; N5-S35 PolarHBondContact N-OG 3.29Å; N5-S35 WeakPolarHBondContact OD1-CA 3.18Å; D32-S35 WeakPolarHBondContact OD1-CB 3.25Å; D32-S35 PolarHBondContact OD1-N 3.22Å; D32-S35 PolarHBondContact OD1-OG 3.44Å
36	T	97.1	Very high	98.1	Very high	116 Å²	116	40.7 Å²	40.7	71%	0.712	22%	0.221	S	C	*	.			trans	-112.5	-5.8	175.9	53.3	0	0	0	0	112.5	N5	N5-T36 PolarHBondContact ND2-OG1 3.35Å; N5-T36 PolarHBondContact OD1-N 2.71Å; N5-T36 PolarHBondContact OD1-OG1 3.44Å
37	D	97.3	Very high	98.1	Very high	51 Å²	51	41.6 Å²	41.6	27%	0.273	22%	0.222	S	C	.	.	S	Bend	trans	-96.3	-167.7	174	75.2	-11.3	0	0	0	111.9	N5 A6 S7 S39	N5-D37 WeakPolarHBondContact CA-OD1 3.38Å; N5-D37 VanDerWaalsContact CA-OD2 3.3Å; N5-D37 WeakPolarHBondContact CA-OD2 3.5Å; N5-D37 PolarHBondContact OD1-N 3.42Å; N5-D37 VanDerWaalsContact OD1-N 3.16Å; N5-D37 PolarHBondContact OD1-OD1 3.5Å; A6-D37 PolarHBondContact N-OD2 2.96Å; S7-D37 WeakPolarHBondContact CB-OD2 3.3Å; S7-D37 PolarHBondContact N-OD2 3.39Å; S7-D37 PolarHBondContact OG-OD2 3.33Å; D37-S39 VanDerWaalsContact CG-OG 3.24Å; D37-S39 PolarHBondContact O-N 3.1Å; D37-S39 VanDerWaalsContact O-N 3.13Å; D37-S39 WeakPolarHBondContact OD1-CB 3.35Å; D37-S39 PolarHBondContact OD1-N 3.13Å; D37-S39 PolarHBondContact OD1-OG 3.08Å; D37-S39 PolarHBondContact OD2-OG 3.06Å
38	D	98.3	Very high	98	Very high	96 Å²	96	45.9 Å²	45.9	51%	0.513	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	9.3	179.9	-80.5	-30.3	0	0	0	114.4	R40 K41 V42	D38-R40 VanDerWaalsContact C-N 3.3Å; D38-R40 PolarHBondContact O-N 2.92Å; D38-K41 WeakPolarHBondContact O-CB 3.41Å; D38-K41 PolarHBondContact O-N 3.29Å; D38-V42 WeakPolarHBondContact O-CG2 3.25Å; D38-V42 PolarHBondContact O-N 2.92Å
39	S	98.4	Very high	97.9	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-54	-46.5	-174.5	-66.9	0	0	0	0	112.4	A6 S7 D37 K41 V42 L43	A6-S39 PolarHBondContact N-OG 2.97Å; S7-S39 PolarHBondContact N-OG 3.49Å; D37-S39 VanDerWaalsContact CG-OG 3.24Å; D37-S39 PolarHBondContact O-N 3.1Å; D37-S39 VanDerWaalsContact O-N 3.13Å; D37-S39 WeakPolarHBondContact OD1-CB 3.35Å; D37-S39 PolarHBondContact OD1-N 3.13Å; D37-S39 PolarHBondContact OD1-OG 3.08Å; D37-S39 PolarHBondContact OD2-OG 3.06Å; S39-K41 VanDerWaalsContact C-N 3.31Å; S39-K41 PolarHBondContact O-N 3.32Å; S39-V42 PolarHBondContact O-N 3.3Å; S39-L43 VanDerWaalsContact O-CG 3.29Å; S39-L43 WeakPolarHBondContact O-CG 3.24Å; S39-L43 PolarHBondContact O-N 3.49Å
40	R	97.7	Very high	97.9	Very high	90 Å²	90	50.4 Å²	50.4	34%	0.34	26%	0.256	S	S	.	.	H	α-helix	trans	-61.6	-42.1	179.4	-175.8	63.9	-170.7	-139.4	-2.2	111.7	D38 L43 E44	D38-R40 VanDerWaalsContact C-N 3.3Å; D38-R40 PolarHBondContact O-N 2.92Å; R40-L43 PolarHBondContact O-N 3.5Å; R40-E44 HydrophobicContact CG-CG 4.47Å; R40-E44 IonicContact CZ-OE1 3.83Å; R40-E44 IonicContact NE-OE1 3.86Å; R40-E44 PolarHBondContact NE-OE1 2.96Å; R40-E44 IonicContact NH2-OE1 3.63Å; R40-E44 PolarHBondContact NH2-OE1 2.98Å; R40-E44 VanDerWaalsContact O-CG 3.27Å; R40-E44 WeakPolarHBondContact O-CG 3.47Å; R40-E44 PolarHBondContact O-N 3Å
41	K	98.3	Very high	97.7	Very high	151 Å²	151	55.9 Å²	55.9	66%	0.657	28%	0.282	S	S	*	.	H	α-helix	trans	-64.1	-43.5	179.6	-179.4	-176.6	173.9	-171.9	0	111.3	D38 S39 E44 G45	D38-K41 WeakPolarHBondContact O-CB 3.41Å; D38-K41 PolarHBondContact O-N 3.29Å; S39-K41 VanDerWaalsContact C-N 3.31Å; S39-K41 PolarHBondContact O-N 3.32Å; K41-E44 PolarHBondContact O-N 3.47Å; K41-G45 PolarHBondContact O-N 3.45Å; K41-G45 VanDerWaalsContact O-N 3.08Å
42	V	98.4	Very high	97.6	Very high	33 Å²	33	61.7 Å²	61.7	20%	0.2	31%	0.313	C	S	.	.	H	α-helix	trans	-61.1	-50.3	175.8	177.9	0	0	0	0	110.1	L10 L14 D38 S39 E44 G45 W46	L10-V42 HydrophobicContact CB-CB 4.43Å; L10-V42 HydrophobicContact CB-CG1 3.71Å; L10-V42 HydrophobicContact CD1-CB 4.31Å; L10-V42 HydrophobicContact CD1-CG1 4.43Å; L14-V42 HydrophobicContact CD1-CG1 4.26Å; D38-V42 WeakPolarHBondContact O-CG2 3.25Å; D38-V42 PolarHBondContact O-N 2.92Å; S39-V42 PolarHBondContact O-N 3.3Å; V42-E44 VanDerWaalsContact C-N 3.34Å; V42-E44 PolarHBondContact O-N 3.39Å; V42-G45 PolarHBondContact O-N 3.43Å; V42-G45 VanDerWaalsContact O-N 3.1Å; V42-W46 VanDerWaalsContact O-CD1 3.3Å; V42-W46 PolarHBondContact O-N 2.85Å
43	L	98.3	Very high	97.5	Very high	3 Å²	3	67.3 Å²	67.3	2%	0.016	33%	0.333	C	S	.	.	H	α-helix	trans	-55.9	-45.6	179.4	-71.7	168.5	0	0	0	112.9	M1 V3 L10 L14 V30 S39 R40 G45 W46 I59	M1-L43 HydrophobicContact CE-CD2 3.77Å; V3-L43 HydrophobicContact CG1-CD1 4.26Å; V3-L43 HydrophobicContact CG2-CD1 4.25Å; L10-L43 HydrophobicContact CD1-CD2 4.34Å; L10-L43 HydrophobicContact CD1-CG 4.03Å; L10-L43 HydrophobicContact CD2-CD2 3.83Å; L10-L43 HydrophobicContact CD2-CG 4.42Å; L14-L43 HydrophobicContact CD1-CD2 4.2Å; L14-L43 HydrophobicContact CD2-CD2 4.3Å; V30-L43 HydrophobicContact CG1-CD1 3.76Å; V30-L43 HydrophobicContact CG1-CD2 3.88Å; V30-L43 HydrophobicContact CG1-CG 4.49Å; V30-L43 HydrophobicContact CG2-CD2 4.26Å; S39-L43 VanDerWaalsContact O-CG 3.29Å; S39-L43 WeakPolarHBondContact O-CG 3.24Å; S39-L43 PolarHBondContact O-N 3.49Å; R40-L43 PolarHBondContact O-N 3.5Å; L43-G45 VanDerWaalsContact C-N 3.34Å; L43-G45 PolarHBondContact O-N 3.08Å; L43-W46 PolarHBondContact O-N 2.74Å; L43-I59 HydrophobicContact CB-CD1 3.75Å; L43-I59 HydrophobicContact CD1-CG2 4.16Å
44	E	97.9	Very high	97.4	Very high	69 Å²	69	69.9 Å²	69.9	32%	0.322	36%	0.361	S	S	.	.	H	α-helix	trans	-64.3	-38	178.1	-68.2	-65.9	162.9	0	0	112	R40 K41 V42 W46 R47	R40-E44 HydrophobicContact CG-CG 4.47Å; R40-E44 IonicContact CZ-OE1 3.83Å; R40-E44 IonicContact NE-OE1 3.86Å; R40-E44 PolarHBondContact NE-OE1 2.96Å; R40-E44 IonicContact NH2-OE1 3.63Å; R40-E44 PolarHBondContact NH2-OE1 2.98Å; R40-E44 VanDerWaalsContact O-CG 3.27Å; R40-E44 WeakPolarHBondContact O-CG 3.47Å; R40-E44 PolarHBondContact O-N 3Å; K41-E44 PolarHBondContact O-N 3.47Å; V42-E44 VanDerWaalsContact C-N 3.34Å; V42-E44 PolarHBondContact O-N 3.39Å; E44-W46 PolarHBondContact O-N 2.85Å; E44-R47 PolarHBondContact O-N 2.78Å; E44-R47 IonicContact OE1-CZ 3.91Å; E44-R47 IonicContact OE1-NE 3.96Å; E44-R47 IonicContact OE1-NH2 2.85Å; E44-R47 PolarHBondContact OE1-NH2 2.77Å; E44-R47 IonicContact OE2-CZ 2.66Å; E44-R47 IonicContact OE2-NE 3.36Å; E44-R47 PolarHBondContact OE2-NE 2.94Å; E44-R47 IonicContact OE2-NH2 3.51Å; E44-R47 PolarHBondContact OE2-NH2 2.97Å
45	G	98.1	Very high	97.5	Very high	55 Å²	55	69.7 Å²	69.7	57%	0.567	36%	0.358	S	S	*	.	H	α-helix	trans	-66.4	-15.7	177.5	0	0	0	0	0	114.9	K41 V42 L43	K41-G45 PolarHBondContact O-N 3.45Å; K41-G45 VanDerWaalsContact O-N 3.08Å; V42-G45 PolarHBondContact O-N 3.43Å; V42-G45 VanDerWaalsContact O-N 3.1Å; L43-G45 VanDerWaalsContact C-N 3.34Å; L43-G45 PolarHBondContact O-N 3.08Å
46	W	98.1	Very high	97.4	Very high	7 Å²	7	71.5 Å²	71.5	3%	0.027	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-5.9	-179.8	-89	89	0	0	0	114.7	E11 L14 Q15 V18 V42 L43 E44 E48 R49 M50	E11-W46 HydrophobicContact CG-CZ2 4.11Å; E11-W46 WeakPolarHBondContact OE1-CZ2 3.16Å; E11-W46 PolarHBondContact OE2-NE1 3.09Å; L14-W46 HydrophobicContact CB-CD2 3.63Å; L14-W46 HydrophobicContact CB-CE3 3.93Å; L14-W46 HydrophobicContact CB-CG 3.98Å; L14-W46 HydrophobicContact CB-CH2 4.38Å; L14-W46 HydrophobicContact CB-CZ2 4.12Å; L14-W46 HydrophobicContact CB-CZ3 4.32Å; L14-W46 HydrophobicContact CD1-CB 3.9Å; L14-W46 HydrophobicContact CD1-CD2 4.06Å; L14-W46 HydrophobicContact CD1-CG 3.49Å; L14-W46 VanDerWaalsContact CD1-CG 3.49Å; L14-W46 HydrophobicContact CG-CD2 4.45Å; L14-W46 HydrophobicContact CG-CG 4.29Å; Q15-W46 VanDerWaalsContact CA-CH2 3.5Å; Q15-W46 HydrophobicContact CB-CH2 3.72Å; Q15-W46 HydrophobicContact CB-CZ2 4.27Å; V18-W46 HydrophobicContact CG2-CE3 4.37Å; V18-W46 HydrophobicContact CG2-CZ3 3.99Å; V42-W46 VanDerWaalsContact O-CD1 3.3Å; V42-W46 PolarHBondContact O-N 2.85Å; L43-W46 PolarHBondContact O-N 2.74Å; E44-W46 PolarHBondContact O-N 2.85Å; W46-E48 PolarHBondContact O-N 3.38Å; W46-R49 HydrophobicContact CE3-CB 3.9Å; W46-R49 HydrophobicContact CE3-CG 4.44Å; W46-R49 VanDerWaalsContact CZ2-NH1 3.31Å; W46-R49 HydrophobicContact CZ3-CB 4.18Å; W46-R49 PolarHBondContact O-N 3.35Å; W46-M50 HydrophobicContact CE3-CE 4.19Å; W46-M50 VanDerWaalsContact O-CG 3.25Å; W46-M50 WeakPolarHBondContact O-CG 3.37Å; W46-M50 PolarHBondContact O-N 2.72Å; W46-M50 VanDerWaalsContact O-N 3.09Å
47	R	96.7	Very high	97.5	Very high	59 Å²	59	66.8 Å²	66.8	22%	0.223	34%	0.342	C	S	.	.	H	α-helix	trans	-56.3	-51.2	-177.5	-73.9	-173.3	-173.3	-86.2	0.2	112.8	E44 R49 M50 E51 V57 I59	E44-R47 PolarHBondContact O-N 2.78Å; E44-R47 IonicContact OE1-CZ 3.91Å; E44-R47 IonicContact OE1-NE 3.96Å; E44-R47 IonicContact OE1-NH2 2.85Å; E44-R47 PolarHBondContact OE1-NH2 2.77Å; E44-R47 IonicContact OE2-CZ 2.66Å; E44-R47 IonicContact OE2-NE 3.36Å; E44-R47 PolarHBondContact OE2-NE 2.94Å; E44-R47 IonicContact OE2-NH2 3.51Å; E44-R47 PolarHBondContact OE2-NH2 2.97Å; R47-R49 PolarHBondContact O-N 3.19Å; R47-M50 WeakPolarHBondContact O-CB 3.37Å; R47-M50 PolarHBondContact O-N 2.76Å; R47-M50 VanDerWaalsContact O-N 3.16Å; R47-E51 WeakPolarHBondContact O-CB 3.32Å; R47-E51 WeakPolarHBondContact O-CG 3.36Å; R47-E51 PolarHBondContact O-N 3.28Å; R47-V57 HydrophobicContact CG-CB 4.44Å; R47-V57 HydrophobicContact CG-CG1 4.33Å; R47-V57 PolarHBondContact NH1-O 2.66Å; R47-I59 HydrophobicContact CG-CD1 4.43Å
48	E	96.4	Very high	97.5	Very high	141 Å²	141	67 Å²	67	66%	0.659	35%	0.345	S	S	*	.	H	α-helix	trans	-59	-48.3	-177.4	-172.9	177.5	-169.9	0	0	111.3	W46 M50 E51 D52	W46-E48 PolarHBondContact O-N 3.38Å; E48-M50 VanDerWaalsContact C-N 3.28Å; E48-M50 PolarHBondContact O-N 3.27Å; E48-E51 PolarHBondContact O-N 3.13Å; E48-D52 WeakPolarHBondContact O-CB 3.32Å; E48-D52 PolarHBondContact O-N 3.21Å
49	R	97.5	Very high	97.5	Very high	123 Å²	123	63.2 Å²	63.2	46%	0.464	32%	0.324	S	S	.	.	H	α-helix	trans	-61.2	-34.4	177.9	-63.9	-178.1	-173.8	169.2	2.8	113.3	E11 W46 R47	E11-R49 IonicContact OE1-NH1 3.96Å; E11-R49 PolarHBondContact OE1-NH1 3.01Å; W46-R49 HydrophobicContact CE3-CB 3.9Å; W46-R49 HydrophobicContact CE3-CG 4.44Å; W46-R49 VanDerWaalsContact CZ2-NH1 3.31Å; W46-R49 HydrophobicContact CZ3-CB 4.18Å; W46-R49 PolarHBondContact O-N 3.35Å; R47-R49 PolarHBondContact O-N 3.19Å
50	M	97.8	Very high	97.5	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-72.9	-44.1	176.6	-70.1	-77.4	178.1	0	0	111.1	L14 I17 V18 L28 W46 R47 E48 R53 G54 I55 V57	L14-M50 HydrophobicContact CB-CE 3.78Å; L14-M50 HydrophobicContact CD2-CE 3.68Å; L14-M50 HydrophobicContact CG-CE 4.34Å; L14-M50 VanDerWaalsContact O-CE 3.28Å; L14-M50 WeakPolarHBondContact O-CE 3.48Å; I17-M50 HydrophobicContact CB-CE 4.08Å; I17-M50 HydrophobicContact CG2-CE 4.02Å; I17-M50 HydrophobicContact CG2-SD 4.01Å; V18-M50 HydrophobicContact CG2-CE 3.67Å; V18-M50 HydrophobicContact CG2-CG 4.29Å; V18-M50 HydrophobicContact CG2-SD 3.43Å; V18-M50 WeakPolarHBondContact CG2-SD 3.21Å; L28-M50 HydrophobicContact CD2-CE 3.78Å; L28-M50 HydrophobicContact CD2-SD 4.19Å; W46-M50 HydrophobicContact CE3-CE 4.19Å; W46-M50 VanDerWaalsContact O-CG 3.25Å; W46-M50 WeakPolarHBondContact O-CG 3.37Å; W46-M50 PolarHBondContact O-N 2.72Å; W46-M50 VanDerWaalsContact O-N 3.09Å; R47-M50 WeakPolarHBondContact O-CB 3.37Å; R47-M50 PolarHBondContact O-N 2.76Å; R47-M50 VanDerWaalsContact O-N 3.16Å; E48-M50 VanDerWaalsContact C-N 3.28Å; E48-M50 PolarHBondContact O-N 3.27Å; M50-R53 CarbonylContact O-C 3.46Å; M50-R53 WeakPolarHBondContact O-CA 3.44Å; M50-R53 WeakPolarHBondContact O-CB 3.41Å; M50-R53 PolarHBondContact O-N 2.79Å; M50-G54 PolarHBondContact O-N 3.32Å; M50-I55 CarbonylContact C-O 3.51Å; M50-I55 HydrophobicContact CB-CB 4.27Å; M50-I55 WeakPolarHBondContact O-CB 3.44Å; M50-I55 PolarHBondContact O-N 3.05Å; M50-I55 HydrophobicContact SD-CB 4.38Å; M50-I55 HydrophobicContact SD-CD1 4.15Å; M50-I55 HydrophobicContact SD-CG2 4.25Å; M50-V57 HydrophobicContact CB-CG2 3.36Å; M50-V57 HydrophobicContact CG-CG2 3.77Å
51	E	95.6	Very high	97.5	Very high	114 Å²	114	62.4 Å²	62.4	53%	0.533	34%	0.338	S	S	.	.	H	α-helix	trans	-64.7	-38.7	178.3	-73.1	174.6	-176.8	0	0	111.9	R47 E48 R53 G54	R47-E51 WeakPolarHBondContact O-CB 3.32Å; R47-E51 WeakPolarHBondContact O-CG 3.36Å; R47-E51 PolarHBondContact O-N 3.28Å; E48-E51 PolarHBondContact O-N 3.13Å; E51-R53 PolarHBondContact O-N 2.87Å; E51-G54 WeakPolarHBondContact O-CA 3.38Å; E51-G54 PolarHBondContact O-N 3.17Å
52	D	96.3	Very high	97.4	Very high	130 Å²	130	57.2 Å²	57.2	70%	0.695	32%	0.316	S	S	*	.	H	α-helix	trans	-57.7	-30.6	171.3	-76.9	-18.2	0	0	0	112.3	E48 G54	E48-D52 WeakPolarHBondContact O-CB 3.32Å; E48-D52 PolarHBondContact O-N 3.21Å; D52-G54 VanDerWaalsContact C-N 3.3Å
53	R	96.1	Very high	97.1	Very high	134 Å²	134	62 Å²	62	51%	0.506	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-2.3	174.9	-167.4	58.3	-179	118.9	4.2	113.1	V18 Q20 M50 E51 I55	V18-R53 HydrophobicContact CG1-CB 4.15Å; V18-R53 HydrophobicContact CG1-CG 4.02Å; V18-R53 PolarHBondContact O-NE 3.44Å; Q20-R53 PolarHBondContact O-NH2 3.42Å; M50-R53 CarbonylContact O-C 3.46Å; M50-R53 WeakPolarHBondContact O-CA 3.44Å; M50-R53 WeakPolarHBondContact O-CB 3.41Å; M50-R53 PolarHBondContact O-N 2.79Å; E51-R53 PolarHBondContact O-N 2.87Å; R53-I55 HydrophobicContact CB-CD1 4.29Å; R53-I55 HydrophobicContact CB-CG1 4.28Å; R53-I55 HydrophobicContact CG-CD1 3.98Å; R53-I55 HydrophobicContact CG-CG1 4.21Å
54	G	96.8	Very high	96.9	Very high	58 Å²	58	64 Å²	64	60%	0.598	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	20.5	-175.7	0	0	0	0	0	113.8	M50 E51 D52	M50-G54 PolarHBondContact O-N 3.32Å; E51-G54 WeakPolarHBondContact O-CA 3.38Å; E51-G54 PolarHBondContact O-N 3.17Å; D52-G54 VanDerWaalsContact C-N 3.3Å
55	I	98.1	Very high	96.6	Very high	9 Å²	9	65.2 Å²	65.2	5%	0.046	38%	0.381	C	S	.	.			trans	-99.3	109.4	177.4	-55.2	175.9	0	0	0	108.2	I17 M26 L28 M50 R53	I17-I55 HydrophobicContact CG2-CD1 4.22Å; M26-I55 HydrophobicContact CB-CG1 4.29Å; M26-I55 HydrophobicContact CB-CG2 4.41Å; L28-I55 HydrophobicContact CB-CG2 4.06Å; M50-I55 CarbonylContact C-O 3.51Å; M50-I55 HydrophobicContact CB-CB 4.27Å; M50-I55 WeakPolarHBondContact O-CB 3.44Å; M50-I55 PolarHBondContact O-N 3.05Å; M50-I55 HydrophobicContact SD-CB 4.38Å; M50-I55 HydrophobicContact SD-CD1 4.15Å; M50-I55 HydrophobicContact SD-CG2 4.25Å; R53-I55 HydrophobicContact CB-CD1 4.29Å; R53-I55 HydrophobicContact CB-CG1 4.28Å; R53-I55 HydrophobicContact CG-CD1 3.98Å; R53-I55 HydrophobicContact CG-CG1 4.21Å
56	S	96.9	Very high	96.5	Very high	61 Å²	61	68.8 Å²	68.8	43%	0.427	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	143.6	175.3	60.1	0	0	0	0	110.9	E27 L28	E27-S56 CarbonylContact C-O 3.6Å; E27-S56 VanDerWaalsContact CA-O 3.28Å; E27-S56 WeakPolarHBondContact CA-O 3.46Å; E27-S56 WeakPolarHBondContact CB-OG 3.45Å; L28-S56 PolarHBondContact N-O 3.42Å
57	V	98	Very high	96.3	Very high	17 Å²	17	70.9 Å²	70.9	10%	0.103	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	121	-173.7	-177	0	0	0	0	111.3	L28 R47 M50 I59	L28-V57 HydrophobicContact CB-CG2 4.38Å; L28-V57 WeakPolarHBondContact O-CA 3.4Å; R47-V57 HydrophobicContact CG-CB 4.44Å; R47-V57 HydrophobicContact CG-CG1 4.33Å; R47-V57 PolarHBondContact NH1-O 2.66Å; M50-V57 HydrophobicContact CB-CG2 3.36Å; M50-V57 HydrophobicContact CG-CG2 3.77Å; V57-I59 HydrophobicContact CG1-CD1 3.83Å; V57-I59 HydrophobicContact CG1-CG1 3.68Å
58	V	98.1	Very high	96.3	Very high	56 Å²	56	74.4 Å²	74.4	34%	0.339	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	117.7	171.1	-176	0	0	0	0	108.6	L28 V30 Q80	L28-V58 PolarHBondContact O-N 2.66Å; V30-V58 PolarHBondContact N-O 3.37Å; V58-Q80 HydrophobicContact CG1-CB 4.34Å; V58-Q80 HydrophobicContact CG1-CG 3.96Å; V58-Q80 PolarHBondContact O-NE2 3.05Å
59	I	98.3	Very high	96.3	Very high	16 Å²	16	68.3 Å²	68.3	8%	0.082	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	120.6	176.8	-51.1	164.3	0	0	0	107.4	V30 L43 R47 V57	V30-I59 HydrophobicContact CB-CG1 4.2Å; V30-I59 HydrophobicContact CB-CG2 4.32Å; V30-I59 HydrophobicContact CG2-CG1 4.38Å; V30-I59 WeakPolarHBondContact O-CA 3.48Å; L43-I59 HydrophobicContact CB-CD1 3.75Å; L43-I59 HydrophobicContact CD1-CG2 4.16Å; R47-I59 HydrophobicContact CG-CD1 4.43Å; V57-I59 HydrophobicContact CG1-CD1 3.83Å; V57-I59 HydrophobicContact CG1-CG1 3.68Å
60	S	98.2	Very high	96.2	Very high	36 Å²	36	64.6 Å²	64.6	25%	0.252	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	177.5	171.5	81.2	0	0	0	0	110.5	V30 F31 D32 Q80	V30-S60 PolarHBondContact O-N 3.22Å; V30-S60 VanDerWaalsContact O-N 3.1Å; F31-S60 WeakPolarHBondContact CA-O 3.49Å; F31-S60 WeakPolarHBondContact CD2-OG 3.38Å; F31-S60 WeakPolarHBondContact CE2-OG 3.46Å; D32-S60 PolarHBondContact N-O 3.23Å; S60-Q80 VanDerWaalsContact CB-OE1 3.3Å; S60-Q80 PolarHBondContact OG-OE1 2.79Å
61	G	97.6	Very high	96.2	Very high	37 Å²	37	64.7 Å²	64.7	38%	0.381	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165	-163.5	177.9	0	0	0	0	0	109.2	D32	D32-G61 WeakPolarHBondContact O-CA 3.39Å
62	H	95.8	Very high	96.3	Very high	43 Å²	43	59.8 Å²	59.8	20%	0.199	36%	0.355	C	S	.	.			trans	-133.9	162.3	174.1	64.4	39.1	0	0	0	112.8	F31 D33 S64 Q66 F72	F31-H62 HydrophobicContact CZ-CB 4.39Å; D33-H62 IonicContact OD1-CD2 2.67Å; D33-H62 IonicContact OD1-CE1 3.15Å; D33-H62 IonicContact OD1-NE2 2.99Å; D33-H62 PolarHBondContact OD1-NE2 2.99Å; D33-H62 VanDerWaalsContact OD1-NE2 3.08Å; H62-S64 VanDerWaalsContact C-N 3.32Å; H62-S64 VanDerWaalsContact CE1-CB 3.48Å; H62-S64 WeakPolarHBondContact CE1-CB 3.35Å; H62-S64 PolarHBondContact ND1-N 3.41Å; H62-S64 PolarHBondContact ND1-O 3.41Å; H62-S64 PolarHBondContact O-N 2.99Å; H62-Q66 PolarHBondContact CE1-O 3.18Å; H62-F72 AromaticContact CD2-CE1 3.49Å; H62-F72 VanDerWaalsContact CD2-CE1 3.49Å; H62-F72 WeakPolarHBondContact CD2-CE1 3.47Å; H62-F72 AromaticContact CD2-CZ 3.89Å
63	S	92.7	Very high	96.4	Very high	134 Å²	134	53.6 Å²	53.6	94%	0.937	32%	0.322	S	S	*	.	S	Bend	trans	-79.9	-3.9	-178.6	54.8	0	0	0	0	115.2
64	S	93.9	Very high	96.5	Very high	43 Å²	43	47.4 Å²	47.4	30%	0.301	30%	0.299	S	S	.	.			trans	-66.2	140.9	173.7	166	0	0	0	0	110.4	A34 H62 Q66	A34-S64 WeakPolarHBondContact CB-O 3.4Å; H62-S64 VanDerWaalsContact C-N 3.32Å; H62-S64 VanDerWaalsContact CE1-CB 3.48Å; H62-S64 WeakPolarHBondContact CE1-CB 3.35Å; H62-S64 PolarHBondContact ND1-N 3.41Å; H62-S64 PolarHBondContact ND1-O 3.41Å; H62-S64 PolarHBondContact O-N 2.99Å; S64-Q66 VanDerWaalsContact C-N 3.25Å; S64-Q66 PolarHBondContact O-N 2.67Å; S64-Q66 PolarHBondContact OG-N 3.03Å; S64-Q66 PolarHBondContact OG-O 2.54Å
65	S	91.8	Very high	96.6	Very high	95 Å²	95	44.8 Å²	44.8	66%	0.664	27%	0.271	S	S	*	.	S	Bend	trans	-79.7	-5.7	177.5	58.6	0	0	0	0	113.9
66	Q	94.9	Very high	96.6	Very high	130 Å²	130	48.2 Å²	48.2	61%	0.607	29%	0.286	S	S	*	.	S	Bend	trans	-123.3	142.4	179.2	-64	-62	-57.2	0	0	110.3	H62 S64	H62-Q66 PolarHBondContact CE1-O 3.18Å; S64-Q66 VanDerWaalsContact C-N 3.25Å; S64-Q66 PolarHBondContact O-N 2.67Å; S64-Q66 PolarHBondContact OG-N 3.03Å; S64-Q66 PolarHBondContact OG-O 2.54Å
67	P	95.8	Very high	96.7	Very high	52 Å²	52	45.6 Å²	45.6	34%	0.338	27%	0.268	S	S	.	.			trans	-63.7	144.6	174.6	26.9	-34.1	0	0	0	110.6	D33	D33-P67 WeakPolarHBondContact O-CA 3.13Å; D33-P67 WeakPolarHBondContact O-CB 3.29Å; D33-P67 WeakPolarHBondContact OD2-CA 3.23Å; D33-P67 VanDerWaalsContact OD2-CB 3.28Å; D33-P67 WeakPolarHBondContact OD2-CB 3.49Å
68	R	96.4	Very high	96.7	Very high	133 Å²	133	45.1 Å²	45.1	50%	0.502	27%	0.265	S	S	.	.			trans	-94.5	-7.5	173.9	-70.4	179	-179.4	-154.7	-0.8	113	D33 F72 G176	D33-R68 VanDerWaalsContact CG-N 3.31Å; D33-R68 PolarHBondContact OD1-N 3.04Å; D33-R68 PolarHBondContact OD2-N 3.31Å; R68-F72 HydrophobicContact CB-CB 3.94Å; R68-F72 HydrophobicContact CB-CD1 3.54Å; R68-F72 HydrophobicContact CB-CD2 4.19Å; R68-F72 HydrophobicContact CB-CE1 4.07Å; R68-F72 HydrophobicContact CB-CG 3.61Å; R68-F72 HydrophobicContact CG-CD1 4.36Å; R68-F72 HydrophobicContact CG-CE1 4.42Å; R68-G176 VanDerWaalsContact O-CA 3.26Å; R68-G176 WeakPolarHBondContact O-CA 3.27Å
69	G	95.3	Very high	96.7	Very high	12 Å²	12	47.1 Å²	47.1	12%	0.124	28%	0.278	C	S	.	.			trans	109.3	163.1	172.9	0	0	0	0	0	113.8	D33 G71 F72 A73	D33-G69 PolarHBondContact OD2-N 2.85Å; G69-G71 VanDerWaalsContact C-N 3.35Å; G69-G71 PolarHBondContact O-N 2.97Å; G69-F72 WeakPolarHBondContact O-CB 3.3Å; G69-F72 PolarHBondContact O-N 3.45Å; G69-A73 PolarHBondContact O-N 2.93Å
70	V	95.6	Very high	96.7	Very high	45 Å²	45	48.9 Å²	48.9	27%	0.273	29%	0.286	S	S	.	.	H	α-helix	trans	-60	-41.5	-172.2	-178.7	0	0	0	0	112.3	P2 A73 K74 E181 A213	P2-V70 HydrophobicContact CG-CG1 4.21Å; V70-A73 PolarHBondContact O-N 2.61Å; V70-K74 HydrophobicContact CG1-CD 3.9Å; V70-K74 HydrophobicContact CG1-CG 4.29Å; V70-K74 WeakPolarHBondContact O-CB 3.45Å; V70-K74 WeakPolarHBondContact O-CG 3.44Å; V70-K74 PolarHBondContact O-N 3.01Å; V70-E181 WeakPolarHBondContact CG1-OE1 3.12Å; V70-A213 HydrophobicContact CG2-CB 3.78Å
71	G	97.6	Very high	96.8	Very high	4 Å²	4	48 Å²	48	4%	0.041	28%	0.279	C	S	.	.	H	α-helix	trans	-61.4	-43.9	176.9	0	0	0	0	0	113.6	G69 K74 N75	G69-G71 VanDerWaalsContact C-N 3.35Å; G69-G71 PolarHBondContact O-N 2.97Å; G71-K74 PolarHBondContact O-N 3.22Å; G71-N75 WeakPolarHBondContact O-CB 3.14Å; G71-N75 VanDerWaalsContact O-CG 3.29Å; G71-N75 PolarHBondContact O-N 2.79Å; G71-N75 PolarHBondContact O-ND2 3.33Å
72	F	98.3	Very high	96.8	Very high	10 Å²	10	50.8 Å²	50.8	4%	0.044	29%	0.293	C	S	.	.	H	α-helix	trans	-59.1	-50.4	173.9	172.5	-92.3	0	0	0	111.1	F31 H62 R68 G69 K74 N75 K76 E174	F31-F72 HydrophobicContact CD1-CE1 4.42Å; F31-F72 HydrophobicContact CE1-CD1 4.06Å; F31-F72 AromaticContact CE1-CE1 3.47Å; F31-F72 HydrophobicContact CE1-CE1 3.47Å; F31-F72 VanDerWaalsContact CE1-CE1 3.47Å; F31-F72 HydrophobicContact CE1-CZ 4.43Å; F31-F72 AromaticContact CZ-CE1 3.72Å; F31-F72 HydrophobicContact CZ-CE1 3.72Å; F31-F72 HydrophobicContact CZ-CZ 4.27Å; H62-F72 AromaticContact CD2-CE1 3.49Å; H62-F72 VanDerWaalsContact CD2-CE1 3.49Å; H62-F72 WeakPolarHBondContact CD2-CE1 3.47Å; H62-F72 AromaticContact CD2-CZ 3.89Å; R68-F72 HydrophobicContact CB-CB 3.94Å; R68-F72 HydrophobicContact CB-CD1 3.54Å; R68-F72 HydrophobicContact CB-CD2 4.19Å; R68-F72 HydrophobicContact CB-CE1 4.07Å; R68-F72 HydrophobicContact CB-CG 3.61Å; R68-F72 HydrophobicContact CG-CD1 4.36Å; R68-F72 HydrophobicContact CG-CE1 4.42Å; G69-F72 WeakPolarHBondContact O-CB 3.3Å; G69-F72 PolarHBondContact O-N 3.45Å; F72-K74 PolarHBondContact O-N 3.13Å; F72-N75 PolarHBondContact O-N 3.27Å; F72-K76 HydrophobicContact CD1-CG 4.3Å; F72-K76 HydrophobicContact CE1-CG 3.89Å; F72-K76 HydrophobicContact CE2-CD 4.34Å; F72-K76 HydrophobicContact CE2-CG 4.15Å; F72-K76 HydrophobicContact CZ-CD 4.19Å; F72-K76 HydrophobicContact CZ-CG 3.81Å; F72-K76 WeakPolarHBondContact O-CG 3.12Å; F72-K76 PolarHBondContact O-N 3.15Å; F72-E174 HydrophobicContact CB-CB 4.32Å; F72-E174 HydrophobicContact CB-CG 4.24Å; F72-E174 WeakPolarHBondContact CD2-OE2 3.47Å
73	A	98.2	Very high	96.8	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.008	29%	0.294	C	S	.	.	H	α-helix	trans	-61.7	-41.8	-179.8	0	0	0	0	0	112.5	P2 F31 D33 G69 V70 K76 A77	P2-A73 HydrophobicContact CB-CB 3.52Å; F31-A73 WeakPolarHBondContact CB-O 3.49Å; F31-A73 HydrophobicContact CD1-CB 3.92Å; D33-A73 HydrophobicContact CB-CB 3.98Å; G69-A73 PolarHBondContact O-N 2.93Å; V70-A73 PolarHBondContact O-N 2.61Å; A73-K76 PolarHBondContact O-N 3.45Å; A73-A77 WeakPolarHBondContact O-CB 3.42Å; A73-A77 PolarHBondContact O-N 3.07Å
74	K	98.4	Very high	97.1	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.017	29%	0.285	C	S	.	.	H	α-helix	trans	-60.8	-47.2	174.2	-75	174.4	-179.4	165	0	111.2	P2 V70 G71 F72 K76 A77 V78 D90 M156 F172 E181	P2-K74 HydrophobicContact CB-CG 4.09Å; P2-K74 HydrophobicContact CG-CD 4.5Å; P2-K74 HydrophobicContact CG-CG 3.76Å; V70-K74 HydrophobicContact CG1-CD 3.9Å; V70-K74 HydrophobicContact CG1-CG 4.29Å; V70-K74 WeakPolarHBondContact O-CB 3.45Å; V70-K74 WeakPolarHBondContact O-CG 3.44Å; V70-K74 PolarHBondContact O-N 3.01Å; G71-K74 PolarHBondContact O-N 3.22Å; F72-K74 PolarHBondContact O-N 3.13Å; K74-K76 VanDerWaalsContact C-N 3.34Å; K74-K76 PolarHBondContact O-N 3.5Å; K74-A77 PolarHBondContact O-N 3.36Å; K74-V78 WeakPolarHBondContact O-CG2 3.31Å; K74-V78 PolarHBondContact O-N 2.89Å; K74-D90 IonicContact NZ-OD1 3.62Å; K74-M156 VanDerWaalsContact NZ-CG 3.34Å; K74-F172 HydrophobicContact CB-CD2 3.64Å; K74-F172 HydrophobicContact CB-CE2 3.79Å; K74-F172 HydrophobicContact CD-CD2 4.31Å; K74-F172 HydrophobicContact CD-CE2 4.09Å; K74-F172 HydrophobicContact CD-CZ 4.31Å; K74-F172 HydrophobicContact CG-CE2 4.46Å; K74-E181 IonicContact NZ-OE1 3.95Å; K74-E181 PolarHBondContact NZ-OE1 3.48Å
75	N	98.7	Very high	97.3	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.011	28%	0.278	C	S	.	.	H	α-helix	trans	-60.9	-41.5	178.2	-74.1	-22.5	0	0	0	112.3	G71 F72 V78 T79 F172 E174	G71-N75 WeakPolarHBondContact O-CB 3.14Å; G71-N75 VanDerWaalsContact O-CG 3.29Å; G71-N75 PolarHBondContact O-N 2.79Å; G71-N75 PolarHBondContact O-ND2 3.33Å; F72-N75 PolarHBondContact O-N 3.27Å; N75-V78 PolarHBondContact O-N 2.92Å; N75-T79 WeakPolarHBondContact O-CB 3.39Å; N75-T79 PolarHBondContact O-N 3.04Å; N75-T79 PolarHBondContact O-OG1 3.48Å; N75-F172 PolarHBondContact ND2-O 3.07Å; N75-F172 WeakPolarHBondContact OD1-CD2 3.24Å; N75-F172 PolarHBondContact OD1-N 3.16Å; N75-E174 WeakPolarHBondContact CB-OE1 3.49Å; N75-E174 VanDerWaalsContact ND2-CG 3.29Å; N75-E174 WeakPolarHBondContact ND2-CG 3.44Å; N75-E174 PolarHBondContact ND2-OE1 3.46Å
76	K	98.8	Very high	97.7	Very high	81 Å²	81	48.6 Å²	48.6	35%	0.352	25%	0.249	S	C	.	.	H	α-helix	trans	-66.2	-43.8	176.6	-64.8	-61	175.1	-166.2	0	112.4	F31 F72 A73 K74 V78 T79 Q80	F31-K76 HydrophobicContact CB-CB 4.16Å; F31-K76 HydrophobicContact CD1-CB 4.03Å; F31-K76 HydrophobicContact CD1-CG 4.42Å; F31-K76 HydrophobicContact CD2-CB 3.2Å; F31-K76 HydrophobicContact CD2-CG 3.99Å; F31-K76 HydrophobicContact CE1-CB 4.27Å; F31-K76 HydrophobicContact CE1-CG 4.2Å; F31-K76 HydrophobicContact CE2-CB 3.48Å; F31-K76 VanDerWaalsContact CE2-CB 3.48Å; F31-K76 HydrophobicContact CE2-CD 4.44Å; F31-K76 HydrophobicContact CE2-CG 3.73Å; F31-K76 HydrophobicContact CG-CB 3.5Å; F31-K76 VanDerWaalsContact CG-CB 3.5Å; F31-K76 HydrophobicContact CG-CG 4.31Å; F31-K76 HydrophobicContact CZ-CB 4Å; F31-K76 HydrophobicContact CZ-CG 3.84Å; F72-K76 HydrophobicContact CD1-CG 4.3Å; F72-K76 HydrophobicContact CE1-CG 3.89Å; F72-K76 HydrophobicContact CE2-CD 4.34Å; F72-K76 HydrophobicContact CE2-CG 4.15Å; F72-K76 HydrophobicContact CZ-CD 4.19Å; F72-K76 HydrophobicContact CZ-CG 3.81Å; F72-K76 WeakPolarHBondContact O-CG 3.12Å; F72-K76 PolarHBondContact O-N 3.15Å; A73-K76 PolarHBondContact O-N 3.45Å; K74-K76 VanDerWaalsContact C-N 3.34Å; K74-K76 PolarHBondContact O-N 3.5Å; K76-V78 VanDerWaalsContact C-N 3.31Å; K76-V78 PolarHBondContact O-N 2.93Å; K76-T79 PolarHBondContact O-N 2.97Å; K76-Q80 WeakPolarHBondContact O-CG 3.08Å; K76-Q80 PolarHBondContact O-N 3.48Å
77	A	98.6	Very high	97.8	Very high	6 Å²	6	44.6 Å²	44.6	5%	0.05	24%	0.235	C	C	.	.	H	α-helix	trans	-59.7	-40.7	173.8	0	0	0	0	0	111.9	S29 F31 A73 K74 S81	S29-A77 WeakPolarHBondContact CB-O 3.43Å; S29-A77 PolarHBondContact OG-O 2.98Å; F31-A77 HydrophobicContact CB-CB 4.12Å; A73-A77 WeakPolarHBondContact O-CB 3.42Å; A73-A77 PolarHBondContact O-N 3.07Å; K74-A77 PolarHBondContact O-N 3.36Å; A77-S81 WeakPolarHBondContact O-CB 3.27Å; A77-S81 PolarHBondContact O-N 2.67Å; A77-S81 PolarHBondContact O-OG 3.21Å
78	V	98.6	Very high	98	Very high	8 Å²	8	42.8 Å²	42.8	5%	0.048	22%	0.222	C	C	.	.	H	α-helix	trans	-66.4	-42.7	175	173	0	0	0	0	111.2	K74 N75 K76 Q80 S81 L86 F88 R163 F166	K74-V78 WeakPolarHBondContact O-CG2 3.31Å; K74-V78 PolarHBondContact O-N 2.89Å; N75-V78 PolarHBondContact O-N 2.92Å; K76-V78 VanDerWaalsContact C-N 3.31Å; K76-V78 PolarHBondContact O-N 2.93Å; V78-Q80 PolarHBondContact O-N 2.9Å; V78-S81 PolarHBondContact O-N 3.05Å; V78-S81 PolarHBondContact O-OG 3.09Å; V78-L86 HydrophobicContact CG1-CD1 3.85Å; V78-L86 HydrophobicContact CG1-CD2 4.21Å; V78-L86 HydrophobicContact CG2-CD1 4.11Å; V78-L86 HydrophobicContact CG2-CD2 4.43Å; V78-F88 HydrophobicContact CG2-CE1 3.97Å; V78-F88 HydrophobicContact CG2-CZ 4.14Å; V78-R163 PolarHBondContact O-NH1 3.25Å; V78-F166 HydrophobicContact CB-CE1 4.28Å; V78-F166 HydrophobicContact CG1-CD1 3.92Å; V78-F166 HydrophobicContact CG1-CE1 3.66Å; V78-F166 HydrophobicContact CG1-CZ 4.36Å; V78-F166 HydrophobicContact CG2-CE1 4.33Å; V78-F166 HydrophobicContact CG2-CZ 4.21Å
79	T	98.4	Very high	98.1	Very high	98 Å²	98	36.8 Å²	36.8	60%	0.601	20%	0.199	S	C	*	.	H	α-helix	trans	-64.3	-40.8	-176.4	-60	0	0	0	0	112.5	N75 K76 S81	N75-T79 WeakPolarHBondContact O-CB 3.39Å; N75-T79 PolarHBondContact O-N 3.04Å; N75-T79 PolarHBondContact O-OG1 3.48Å; K76-T79 PolarHBondContact O-N 2.97Å; T79-S81 VanDerWaalsContact C-N 3.31Å
80	Q	98.3	Very high	98.2	Very high	53 Å²	53	37.4 Å²	37.4	25%	0.248	20%	0.2	C	C	.	.	H	α-helix	trans	-81.7	-8.9	179.7	76	-175.5	19.3	0	0	113.9	S29 V30 V58 S60 K76 V78	S29-Q80 WeakPolarHBondContact OG-CG 3.25Å; S29-Q80 PolarHBondContact OG-NE2 3.12Å; V30-Q80 PolarHBondContact O-NE2 3.46Å; V58-Q80 HydrophobicContact CG1-CB 4.34Å; V58-Q80 HydrophobicContact CG1-CG 3.96Å; V58-Q80 PolarHBondContact O-NE2 3.05Å; S60-Q80 VanDerWaalsContact CB-OE1 3.3Å; S60-Q80 PolarHBondContact OG-OE1 2.79Å; K76-Q80 WeakPolarHBondContact O-CG 3.08Å; K76-Q80 PolarHBondContact O-N 3.48Å; V78-Q80 PolarHBondContact O-N 2.9Å
81	S	98.4	Very high	98.3	Very high	16 Å²	16	35.6 Å²	35.6	11%	0.112	19%	0.19	C	C	.	.			trans	-87.8	153.2	178.8	68.5	0	0	0	0	111.6	E27 A77 V78 T79 R163	E27-S81 WeakPolarHBondContact OE1-CA 3.39Å; E27-S81 VanDerWaalsContact OE1-CB 3.26Å; E27-S81 WeakPolarHBondContact OE1-CB 3.28Å; A77-S81 WeakPolarHBondContact O-CB 3.27Å; A77-S81 PolarHBondContact O-N 2.67Å; A77-S81 PolarHBondContact O-OG 3.21Å; V78-S81 PolarHBondContact O-N 3.05Å; V78-S81 PolarHBondContact O-OG 3.09Å; T79-S81 VanDerWaalsContact C-N 3.31Å; S81-R163 PolarHBondContact O-NH1 2.99Å; S81-R163 PolarHBondContact O-NH2 3.43Å; S81-R163 PolarHBondContact OG-NH2 2.92Å
82	S	97.7	Very high	98.3	Very high	97 Å²	97	37 Å²	37	68%	0.678	20%	0.196	S	C	*	.			trans	-109.7	-15.9	-176.8	72	0	0	0	0	114.6	E27	E27-S82 WeakPolarHBondContact OE1-CA 3.45Å; E27-S82 PolarHBondContact OE1-N 2.99Å; E27-S82 PolarHBondContact OE1-OG 2.89Å; E27-S82 PolarHBondContact OE2-N 3.09Å; E27-S82 PolarHBondContact OE2-OG 3.29Å
83	G	97.6	Very high	98.3	Very high	22 Å²	22	36.5 Å²	36.5	23%	0.227	19%	0.194	C	C	.	.			trans	-59.8	143.3	-171.6	0	0	0	0	0	114.2	E27 Y85 R163	E27-G83 PolarHBondContact OE1-N 3.16Å; G83-Y85 PolarHBondContact O-N 3.38Å; G83-R163 VanDerWaalsContact O-CZ 3.3Å; G83-R163 PolarHBondContact O-NE 2.85Å; G83-R163 PolarHBondContact O-NH2 2.83Å
84	R	98.1	Very high	98.3	Very high	196 Å²	196	38.1 Å²	38.1	74%	0.74	20%	0.202	S	C	*	.	S	Bend	trans	-67.1	-26.4	176.8	-178.3	175.1	175.7	179	-0.9	112.8	R163	R84-R163 WeakPolarHBondContact O-CB 3.45Å; R84-R163 PolarHBondContact O-N 3.12Å
85	Y	98.7	Very high	98.3	Very high	39 Å²	39	38.4 Å²	38.4	15%	0.153	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	151	177.3	-65.5	-90.7	0	0	0	109.2	G83 Y104 S107 I108 F160 C161	G83-Y85 PolarHBondContact O-N 3.38Å; Y85-Y104 HydrophobicContact CD2-CD2 4.02Å; Y85-Y104 AromaticContact CD2-CE2 3.74Å; Y85-Y104 HydrophobicContact CD2-CE2 3.74Å; Y85-Y104 HydrophobicContact CE2-CD2 4.2Å; Y85-Y104 AromaticContact CE2-CE2 3.61Å; Y85-Y104 HydrophobicContact CE2-CE2 3.61Å; Y85-Y104 HydrophobicContact CG-CD2 4.32Å; Y85-Y104 HydrophobicContact CG-CE2 4.47Å; Y85-S107 WeakPolarHBondContact CD1-OG 3.25Å; Y85-S107 WeakPolarHBondContact CE1-OG 3.46Å; Y85-I108 HydrophobicContact CE2-CD1 4.43Å; Y85-I108 VanDerWaalsContact OH-CD1 3.25Å; Y85-I108 WeakPolarHBondContact OH-CD1 3.38Å; Y85-F160 AromaticContact CD1-CE1 3.67Å; Y85-F160 HydrophobicContact CD1-CE1 3.67Å; Y85-F160 HydrophobicContact CD1-CZ 4.33Å; Y85-F160 AromaticContact CG-CE1 3.96Å; Y85-F160 HydrophobicContact CG-CE1 3.96Å; Y85-F160 HydrophobicContact CG-CZ 4.16Å; Y85-C161 CarbonylContact C-O 3.49Å; Y85-C161 WeakPolarHBondContact CA-O 3.16Å
86	L	98.8	Very high	98.3	Very high	11 Å²	11	40.1 Å²	40.1	6%	0.058	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	124.9	178.7	-59.1	176.7	0	0	0	107.8	V78 F88 F160 C161 R163 F166	V78-L86 HydrophobicContact CG1-CD1 3.85Å; V78-L86 HydrophobicContact CG1-CD2 4.21Å; V78-L86 HydrophobicContact CG2-CD1 4.11Å; V78-L86 HydrophobicContact CG2-CD2 4.43Å; L86-F88 HydrophobicContact CB-CE2 3.95Å; L86-F88 HydrophobicContact CB-CZ 4.27Å; L86-F88 HydrophobicContact CD1-CZ 4.2Å; L86-F160 CarbonylContact O-C 3.52Å; L86-F160 VanDerWaalsContact O-CA 3.27Å; L86-F160 WeakPolarHBondContact O-CA 3.44Å; L86-C161 PolarHBondContact N-O 3.22Å; L86-C161 PolarHBondContact O-N 3.49Å; L86-R163 HydrophobicContact CG-CB 4.39Å; L86-F166 HydrophobicContact CD1-CB 3.6Å; L86-F166 HydrophobicContact CD1-CD1 3.94Å; L86-F166 HydrophobicContact CD1-CD2 4.05Å; L86-F166 HydrophobicContact CD1-CG 3.58Å
87	C	98.7	Very high	98.3	Very high	46 Å²	46	38.8 Å²	38.8	31%	0.311	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	115.9	168	-174.8	0	0	0	0	107.5	F160	C87-F160 HydrophobicContact CB-CD2 3.67Å; C87-F160 HydrophobicContact CB-CE2 3.94Å
88	F	98.6	Very high	98.3	Very high	14 Å²	14	42 Å²	42	6%	0.061	23%	0.226	C	C	.	.			trans	-81.5	141.6	177.9	-66.5	-87.9	0	0	0	109.8	V78 L86 R99 M156 P157 W159 F166 F172	V78-F88 HydrophobicContact CG2-CE1 3.97Å; V78-F88 HydrophobicContact CG2-CZ 4.14Å; L86-F88 HydrophobicContact CB-CE2 3.95Å; L86-F88 HydrophobicContact CB-CZ 4.27Å; L86-F88 HydrophobicContact CD1-CZ 4.2Å; F88-R99 PolarHBondContact O-NH1 3.24Å; F88-R99 PolarHBondContact O-NH2 2.94Å; F88-M156 HydrophobicContact CB-SD 3.84Å; F88-M156 HydrophobicContact CD1-SD 4.44Å; F88-M156 HydrophobicContact CG-SD 4.17Å; F88-P157 CarbonylContact C-O 3.5Å; F88-W159 HydrophobicContact CB-CB 4.29Å; F88-W159 HydrophobicContact CD2-CB 3.73Å; F88-W159 HydrophobicContact CG-CB 4.33Å; F88-W159 PolarHBondContact N-O 3.3Å; F88-F166 HydrophobicContact CE1-CE2 4.5Å; F88-F166 HydrophobicContact CE2-CD2 4.47Å; F88-F166 AromaticContact CZ-CD2 3.88Å; F88-F166 HydrophobicContact CZ-CD2 3.88Å; F88-F166 AromaticContact CZ-CE2 3.8Å; F88-F166 HydrophobicContact CZ-CE2 3.8Å; F88-F172 HydrophobicContact CD1-CE2 4.38Å; F88-F172 HydrophobicContact CD1-CZ 4.39Å; F88-F172 AromaticContact CE1-CE2 3.54Å; F88-F172 HydrophobicContact CE1-CE2 3.54Å; F88-F172 AromaticContact CE1-CZ 3.8Å; F88-F172 HydrophobicContact CE1-CZ 3.8Å; F88-F172 AromaticContact CZ-CE2 3.92Å; F88-F172 HydrophobicContact CZ-CE2 3.92Å; F88-F172 AromaticContact CZ-CZ 3.99Å; F88-F172 HydrophobicContact CZ-CZ 3.99Å
89	Q	98.2	Very high	98.3	Very high	7 Å²	7	41.6 Å²	41.6	3%	0.033	22%	0.224	C	C	.	.			trans	-151.8	124.7	-179.5	177.6	63.3	27.2	0	0	106.7	M1 P2 D93 M95	M1-Q89 WeakPolarHBondContact CA-O 3.27Å; M1-Q89 WeakPolarHBondContact CB-O 3.28Å; M1-Q89 WeakPolarHBondContact CG-O 3.47Å; P2-Q89 WeakPolarHBondContact CD-O 3.47Å; Q89-D93 PolarHBondContact NE2-O 3.12Å; Q89-M95 HydrophobicContact CB-CE 3.9Å; Q89-M95 HydrophobicContact CG-CE 3.68Å
90	D	97.8	Very high	98.3	Very high	26 Å²	26	37.3 Å²	37.3	14%	0.139	20%	0.198	C	C	.	.			trans	-90.6	154.1	170.9	-64.8	-21.8	0	0	0	109.5	K74 D92 D93 P157	K74-D90 IonicContact NZ-OD1 3.62Å; D90-D92 WeakPolarHBondContact CB-OD1 3.42Å; D90-D92 PolarHBondContact O-N 2.74Å; D90-D93 PolarHBondContact O-N 3.2Å; D90-P157 HydrophobicContact CB-CB 4.12Å; D90-P157 HydrophobicContact CB-CG 3.94Å; D90-P157 WeakPolarHBondContact OD2-CB 3.38Å
91	A	97.9	Very high	98.3	Very high	7 Å²	7	38.1 Å²	38.1	6%	0.058	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-16.2	-167.4	0	0	0	0	0	114.2	M1 V3 A6 W9 L10 C13	M1-A91 HydrophobicContact CG-CB 4.34Å; M1-A91 HydrophobicContact SD-CB 4.3Å; V3-A91 HydrophobicContact CG2-CB 3.99Å; A6-A91 HydrophobicContact CB-CB 3.58Å; W9-A91 WeakPolarHBondContact CB-O 3.26Å; L10-A91 HydrophobicContact CD2-CB 4.04Å; C13-A91 WeakPolarHBondContact CB-O 3.44Å
92	D	97.8	Very high	98.4	Very high	32 Å²	32	38.9 Å²	38.9	17%	0.171	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-9.8	-178.9	43.6	14.2	0	0	0	113.8	W9 D90 R207 H209	W9-D92 HydrophobicContact CB-CB 4.41Å; W9-D92 HydrophobicContact CD2-CB 3.8Å; W9-D92 HydrophobicContact CE3-CB 3.73Å; W9-D92 HydrophobicContact CG-CB 4.11Å; W9-D92 HydrophobicContact CZ3-CB 4.33Å; D90-D92 WeakPolarHBondContact CB-OD1 3.42Å; D90-D92 PolarHBondContact O-N 2.74Å; D92-R207 VanDerWaalsContact O-CB 3.32Å; D92-R207 WeakPolarHBondContact O-CB 3.47Å; D92-R207 WeakPolarHBondContact O-CD 3.44Å; D92-R207 PolarHBondContact O-NE 2.8Å; D92-H209 IonicContact OD2-CE1 2.66Å; D92-H209 IonicContact OD2-NE2 3.05Å; D92-H209 PolarHBondContact OD2-NE2 3.1Å; D92-H209 VanDerWaalsContact OD2-NE2 3.07Å
93	D	98.1	Very high	98.4	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	17%	0.169	C	C	.	.			trans	-103.5	166.5	-175.5	-77.3	-17.9	0	0	0	113.8	C13 Q89 D90 P157 L204 Y206 R207	C13-D93 WeakPolarHBondContact CB-O 3.24Å; C13-D93 PolarHBondContact SG-O 2.7Å; Q89-D93 PolarHBondContact NE2-O 3.12Å; D90-D93 PolarHBondContact O-N 3.2Å; D93-P157 HydrophobicContact CB-CG 4.43Å; D93-P157 VanDerWaalsContact OD2-CD 3.24Å; D93-P157 WeakPolarHBondContact OD2-CD 3.06Å; D93-P157 WeakPolarHBondContact OD2-CG 3.29Å; D93-L204 HydrophobicContact CB-CD1 4.15Å; D93-Y206 WeakPolarHBondContact OD1-CA 3.44Å; D93-Y206 WeakPolarHBondContact OD1-CD2 2.94Å; D93-Y206 VanDerWaalsContact OD2-CD2 3.31Å; D93-Y206 WeakPolarHBondContact OD2-CD2 3.4Å; D93-R207 PolarHBondContact OD1-N 3.32Å
94	I	98.6	Very high	98.5	Very high	34 Å²	34	37 Å²	37	17%	0.174	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	115.8	-178.5	-47.5	173.2	0	0	0	109.6	E12 A16 L122 V205	E12-I94 HydrophobicContact CB-CD1 4.09Å; E12-I94 HydrophobicContact CB-CG1 4.29Å; A16-I94 HydrophobicContact CB-CB 4.49Å; A16-I94 HydrophobicContact CB-CG2 3.41Å; A16-I94 VanDerWaalsContact CB-CG2 3.41Å; I94-L122 HydrophobicContact CD1-CD2 4.43Å; I94-V205 HydrophobicContact CB-CB 4Å; I94-V205 HydrophobicContact CB-CG2 4.32Å; I94-V205 PolarHBondContact N-O 2.94Å; I94-V205 VanDerWaalsContact N-O 3.09Å; I94-V205 PolarHBondContact O-N 3.02Å
95	M	98.3	Very high	98.5	Very high	11 Å²	11	32 Å²	32	5%	0.054	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	141.5	172.5	55.8	178.7	72.8	0	0	111.6	A16 I17 Q20 Q89 R99 V100 L204	A16-M95 HydrophobicContact CB-CG 4.02Å; A16-M95 WeakPolarHBondContact CB-O 3.43Å; I17-M95 HydrophobicContact CB-SD 4.4Å; I17-M95 HydrophobicContact CD1-CE 4.39Å; I17-M95 HydrophobicContact CG1-CE 3.55Å; I17-M95 HydrophobicContact CG1-CG 4.46Å; I17-M95 HydrophobicContact CG1-SD 3.79Å; Q20-M95 HydrophobicContact CG-SD 3.62Å; Q20-M95 VanDerWaalsContact NE2-CG 3.31Å; Q20-M95 PolarHBondContact NE2-SD 3.34Å; Q20-M95 VanDerWaalsContact NE2-SD 3.43Å; Q89-M95 HydrophobicContact CB-CE 3.9Å; Q89-M95 HydrophobicContact CG-CE 3.68Å; M95-R99 HydrophobicContact CB-CB 4.32Å; M95-V100 HydrophobicContact SD-CG2 4.42Å; M95-L204 HydrophobicContact CB-CD1 4.45Å
96	L	98.6	Very high	98.4	Very high	38 Å²	38	31.3 Å²	31.3	20%	0.199	16%	0.158	C	C	.	.			trans	-80.6	154.3	172.2	-61.7	-167	0	0	0	111.2	Q20 Q98 R99 R202 L203 V205	Q20-L96 PolarHBondContact NE2-O 2.75Å; Q20-L96 PolarHBondContact OE1-O 3.42Å; L96-Q98 PolarHBondContact O-N 3.47Å; L96-R99 VanDerWaalsContact O-CB 3.27Å; L96-R99 WeakPolarHBondContact O-CB 3.44Å; L96-R99 PolarHBondContact O-N 3.35Å; L96-R202 WeakPolarHBondContact CD1-O 3.4Å; L96-L203 PolarHBondContact N-O 3.38Å; L96-V205 HydrophobicContact CD2-CG2 3.95Å
97	P	98.6	Very high	98.4	Very high	52 Å²	52	30.9 Å²	30.9	34%	0.338	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-31.5	-169.7	-30.2	36.6	0	0	0	115.5	H19 Q20 D21	H19-P97 WeakPolarHBondContact O-CB 3.49Å; Q20-P97 WeakPolarHBondContact CA-O 3.21Å; Q20-P97 PolarHBondContact OE1-O 2.65Å; D21-P97 PolarHBondContact N-O 2.84Å
98	Q	98.6	Very high	98.3	Very high	73 Å²	73	32.5 Å²	32.5	34%	0.341	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-4.4	-175.6	-52.4	76	21.2	0	0	113.6	D21 L96 V100 R101 L102 L203	D21-Q98 WeakPolarHBondContact OD2-CG 3.4Å; L96-Q98 PolarHBondContact O-N 3.47Å; Q98-V100 PolarHBondContact O-N 2.9Å; Q98-R101 PolarHBondContact O-N 3.22Å; Q98-L102 HydrophobicContact CB-CD1 3.8Å; Q98-L102 HydrophobicContact CB-CG 4.17Å; Q98-L102 WeakPolarHBondContact O-CB 3.34Å; Q98-L102 WeakPolarHBondContact O-CG 3.36Å; Q98-L102 PolarHBondContact O-N 3.27Å; Q98-L203 HydrophobicContact CB-CD2 4.2Å
99	R	98.8	Very high	98.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58.2	-57.1	-166.8	-177.8	-176.3	170.4	-167.1	-5.4	112	F88 M95 L96 R101 Q103 P157 T158 L203	F88-R99 PolarHBondContact O-NH1 3.24Å; F88-R99 PolarHBondContact O-NH2 2.94Å; M95-R99 HydrophobicContact CB-CB 4.32Å; L96-R99 VanDerWaalsContact O-CB 3.27Å; L96-R99 WeakPolarHBondContact O-CB 3.44Å; L96-R99 PolarHBondContact O-N 3.35Å; R99-R101 VanDerWaalsContact C-N 3.34Å; R99-R101 PolarHBondContact O-N 2.81Å; R99-Q103 VanDerWaalsContact CG-OE1 3.26Å; R99-Q103 WeakPolarHBondContact O-CB 3.46Å; R99-Q103 WeakPolarHBondContact O-CG 3.41Å; R99-Q103 PolarHBondContact O-N 3.41Å; R99-Q103 VanDerWaalsContact O-N 3.08Å; R99-P157 PolarHBondContact NH2-O 2.78Å; R99-T158 VanDerWaalsContact NH2-CA 3.33Å; R99-T158 PolarHBondContact NH2-O 3.05Å; R99-T158 VanDerWaalsContact NH2-O 3.12Å; R99-L203 HydrophobicContact CB-CB 3.95Å; R99-L203 WeakPolarHBondContact CD-O 3.39Å; R99-L203 HydrophobicContact CG-CB 3.97Å
100	V	98.8	Very high	98.1	Very high	9 Å²	9	41 Å²	41	6%	0.055	20%	0.204	C	C	.	.	H	α-helix	trans	-61.9	-44.8	-174.1	173.8	0	0	0	0	110.6	Q20 F22 M26 M95 Q98 Y104 F160	Q20-V100 HydrophobicContact CG-CB 4.47Å; Q20-V100 HydrophobicContact CG-CG2 3.92Å; F22-V100 HydrophobicContact CB-CB 4.1Å; F22-V100 HydrophobicContact CB-CG1 3.86Å; F22-V100 HydrophobicContact CD1-CG1 3.73Å; F22-V100 HydrophobicContact CD2-CG1 4.26Å; F22-V100 HydrophobicContact CE1-CG1 4.28Å; F22-V100 HydrophobicContact CG-CB 4.45Å; F22-V100 HydrophobicContact CG-CG1 3.69Å; M26-V100 HydrophobicContact CE-CG1 4.49Å; M26-V100 HydrophobicContact CE-CG2 4.07Å; M26-V100 HydrophobicContact SD-CG1 4.15Å; M95-V100 HydrophobicContact SD-CG2 4.42Å; Q98-V100 PolarHBondContact O-N 2.9Å; V100-Y104 WeakPolarHBondContact O-CB 3.28Å; V100-Y104 PolarHBondContact O-N 3.31Å; V100-F160 HydrophobicContact CG1-CE2 4.49Å
101	R	98.7	Very high	97.8	Very high	69 Å²	69	42.7 Å²	42.7	26%	0.26	22%	0.217	S	C	.	.	H	α-helix	trans	-62.2	-52.1	-179.2	-178	175.4	56	77.7	-1.2	112.5	D21 F22 Q98 R99 Q103 Y104 E105	D21-R101 VanDerWaalsContact CG-NE 3.29Å; D21-R101 VanDerWaalsContact OD1-CB 3.3Å; D21-R101 WeakPolarHBondContact OD1-CB 3.31Å; D21-R101 IonicContact OD1-CZ 3.43Å; D21-R101 IonicContact OD1-NE 3.14Å; D21-R101 PolarHBondContact OD1-NE 2.84Å; D21-R101 IonicContact OD1-NH2 2.81Å; D21-R101 IonicContact OD2-CZ 3.04Å; D21-R101 IonicContact OD2-NE 3.79Å; D21-R101 PolarHBondContact OD2-NE 3.1Å; D21-R101 VanDerWaalsContact OD2-NE 3.14Å; D21-R101 IonicContact OD2-NH2 3.78Å; D21-R101 PolarHBondContact OD2-NH2 2.8Å; F22-R101 HydrophobicContact CB-CB 4.26Å; F22-R101 HydrophobicContact CD2-CB 3.96Å; F22-R101 HydrophobicContact CD2-CG 4.33Å; Q98-R101 PolarHBondContact O-N 3.22Å; R99-R101 VanDerWaalsContact C-N 3.34Å; R99-R101 PolarHBondContact O-N 2.81Å; R101-Q103 PolarHBondContact O-N 3.05Å; R101-Y104 PolarHBondContact O-N 3.38Å; R101-E105 VanDerWaalsContact CG-OE1 3.25Å; R101-E105 WeakPolarHBondContact CG-OE1 3.45Å; R101-E105 IonicContact NH1-OE1 3.08Å; R101-E105 IonicContact NH1-OE2 2.73Å; R101-E105 WeakPolarHBondContact O-CG 3.4Å; R101-E105 PolarHBondContact O-N 3.06Å
102	L	98.8	Very high	97.6	Very high	32 Å²	32	47.3 Å²	47.3	17%	0.168	24%	0.24	C	C	.	.	H	α-helix	trans	-66.4	-39.3	-176.9	-66.6	177	0	0	0	112.4	Q98 T106 L199 L203	Q98-L102 HydrophobicContact CB-CD1 3.8Å; Q98-L102 HydrophobicContact CB-CG 4.17Å; Q98-L102 WeakPolarHBondContact O-CB 3.34Å; Q98-L102 WeakPolarHBondContact O-CG 3.36Å; Q98-L102 PolarHBondContact O-N 3.27Å; L102-T106 WeakPolarHBondContact O-CB 3.12Å; L102-T106 PolarHBondContact O-N 3.42Å; L102-T106 VanDerWaalsContact O-N 3.15Å; L102-T106 PolarHBondContact O-OG1 3.18Å; L102-L199 HydrophobicContact CB-CD1 3.88Å; L102-L203 HydrophobicContact CB-CD1 4.18Å; L102-L203 HydrophobicContact CD1-CD1 3.99Å; L102-L203 HydrophobicContact CD1-CD2 3.94Å
103	Q	98.8	Very high	97.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-69.8	-37	176.1	-66.8	-170.6	-61.5	0	0	111.8	R99 R101 T106 S107 I115 G116 T158 F160 L199	R99-Q103 VanDerWaalsContact CG-OE1 3.26Å; R99-Q103 WeakPolarHBondContact O-CB 3.46Å; R99-Q103 WeakPolarHBondContact O-CG 3.41Å; R99-Q103 PolarHBondContact O-N 3.41Å; R99-Q103 VanDerWaalsContact O-N 3.08Å; R101-Q103 PolarHBondContact O-N 3.05Å; Q103-T106 PolarHBondContact O-N 3Å; Q103-S107 WeakPolarHBondContact O-CB 3.45Å; Q103-S107 PolarHBondContact O-N 3.12Å; Q103-I115 HydrophobicContact CB-CG2 4.36Å; Q103-I115 HydrophobicContact CG-CG2 4.21Å; Q103-I115 PolarHBondContact NE2-O 3.22Å; Q103-G116 PolarHBondContact NE2-O 3.44Å; Q103-T158 PolarHBondContact NE2-O 3.07Å; Q103-F160 HydrophobicContact CB-CB 3.71Å; Q103-F160 HydrophobicContact CB-CD1 4.18Å; Q103-F160 HydrophobicContact CB-CD2 3.75Å; Q103-F160 HydrophobicContact CB-CE2 4.43Å; Q103-F160 HydrophobicContact CB-CG 3.62Å; Q103-F160 HydrophobicContact CG-CB 4.28Å; Q103-L199 HydrophobicContact CG-CD1 3.84Å
104	Y	98.6	Very high	97.5	Very high	79 Å²	79	46.2 Å²	46.2	31%	0.31	24%	0.235	S	C	.	.	H	α-helix	trans	-61.8	-52.4	173.6	173.2	-99.2	0	0	0	112	F22 Y85 V100 R101 T106 S107 I108 F160	F22-Y104 AromaticContact CE2-CD1 3.59Å; F22-Y104 HydrophobicContact CE2-CD1 3.59Å; F22-Y104 HydrophobicContact CE2-CD2 4.49Å; F22-Y104 HydrophobicContact CE2-CE1 4.13Å; F22-Y104 AromaticContact CE2-CG 3.79Å; F22-Y104 HydrophobicContact CE2-CG 3.79Å; F22-Y104 HydrophobicContact CZ-CD1 4.07Å; F22-Y104 HydrophobicContact CZ-CD2 4.26Å; F22-Y104 HydrophobicContact CZ-CE1 4.35Å; F22-Y104 HydrophobicContact CZ-CG 4.01Å; Y85-Y104 HydrophobicContact CD2-CD2 4.02Å; Y85-Y104 AromaticContact CD2-CE2 3.74Å; Y85-Y104 HydrophobicContact CD2-CE2 3.74Å; Y85-Y104 HydrophobicContact CE2-CD2 4.2Å; Y85-Y104 AromaticContact CE2-CE2 3.61Å; Y85-Y104 HydrophobicContact CE2-CE2 3.61Å; Y85-Y104 HydrophobicContact CG-CD2 4.32Å; Y85-Y104 HydrophobicContact CG-CE2 4.47Å; V100-Y104 WeakPolarHBondContact O-CB 3.28Å; V100-Y104 PolarHBondContact O-N 3.31Å; R101-Y104 PolarHBondContact O-N 3.38Å; Y104-T106 PolarHBondContact O-N 2.57Å; Y104-S107 WeakPolarHBondContact O-CA 3.38Å; Y104-S107 WeakPolarHBondContact O-CB 3.49Å; Y104-S107 PolarHBondContact O-N 2.79Å; Y104-S107 PolarHBondContact O-OG 2.89Å; Y104-I108 HydrophobicContact CD1-CG1 4.42Å; Y104-I108 HydrophobicContact CE1-CD1 4.34Å; Y104-I108 HydrophobicContact CE1-CG1 3.99Å; Y104-I108 HydrophobicContact CE2-CD1 4.06Å; Y104-I108 HydrophobicContact CE2-CG1 4.22Å; Y104-I108 WeakPolarHBondContact O-CG1 3.06Å; Y104-I108 PolarHBondContact O-N 2.85Å; Y104-I108 VanDerWaalsContact O-N 3.07Å; Y104-F160 HydrophobicContact CD2-CZ 4.17Å
105	E	98.4	Very high	97.5	Very high	91 Å²	91	44.6 Å²	44.6	43%	0.425	23%	0.227	S	C	.	.	H	α-helix	trans	-54	-43.5	177.7	-73.1	167.4	-175.1	0	0	111.1	R101 S107 I108 L109	R101-E105 VanDerWaalsContact CG-OE1 3.25Å; R101-E105 WeakPolarHBondContact CG-OE1 3.45Å; R101-E105 IonicContact NH1-OE1 3.08Å; R101-E105 IonicContact NH1-OE2 2.73Å; R101-E105 WeakPolarHBondContact O-CG 3.4Å; R101-E105 PolarHBondContact O-N 3.06Å; E105-S107 PolarHBondContact O-N 3.35Å; E105-I108 PolarHBondContact O-N 3.41Å; E105-L109 PolarHBondContact O-N 3.24Å
106	T	98.2	Very high	97.5	Very high	26 Å²	26	44.1 Å²	44.1	16%	0.16	22%	0.224	C	C	.	.	H	α-helix	trans	-65.3	-38.8	176.5	-55.2	0	0	0	0	112.3	L102 Q103 Y104 I108 L109 H110 I115 L199	L102-T106 WeakPolarHBondContact O-CB 3.12Å; L102-T106 PolarHBondContact O-N 3.42Å; L102-T106 VanDerWaalsContact O-N 3.15Å; L102-T106 PolarHBondContact O-OG1 3.18Å; Q103-T106 PolarHBondContact O-N 3Å; Y104-T106 PolarHBondContact O-N 2.57Å; T106-I108 VanDerWaalsContact C-N 3.28Å; T106-I108 PolarHBondContact O-N 2.76Å; T106-L109 PolarHBondContact O-N 3.16Å; T106-H110 PolarHBondContact O-N 2.99Å; T106-I115 HydrophobicContact CG2-CD1 3.78Å; T106-I115 HydrophobicContact CG2-CG1 4.17Å; T106-I115 HydrophobicContact CG2-CG2 4.26Å; T106-L199 HydrophobicContact CG2-CD2 4.21Å; T106-L199 WeakPolarHBondContact OG1-CD2 3.44Å
107	S	97.2	Very high	97.5	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.014	22%	0.216	C	C	.	.	H	α-helix	trans	-68.1	-27	179.6	80.9	0	0	0	0	113.6	Y85 Q103 Y104 E105 H110 P111 I115 F160	Y85-S107 WeakPolarHBondContact CD1-OG 3.25Å; Y85-S107 WeakPolarHBondContact CE1-OG 3.46Å; Q103-S107 WeakPolarHBondContact O-CB 3.45Å; Q103-S107 PolarHBondContact O-N 3.12Å; Y104-S107 WeakPolarHBondContact O-CA 3.38Å; Y104-S107 WeakPolarHBondContact O-CB 3.49Å; Y104-S107 PolarHBondContact O-N 2.79Å; Y104-S107 PolarHBondContact O-OG 2.89Å; E105-S107 PolarHBondContact O-N 3.35Å; S107-H110 CarbonylContact O-C 3.45Å; S107-H110 VanDerWaalsContact O-C 3.25Å; S107-H110 PolarHBondContact O-N 3.31Å; S107-P111 VanDerWaalsContact O-CA 3.24Å; S107-P111 WeakPolarHBondContact O-CA 3.48Å; S107-I115 VanDerWaalsContact N-CD1 3.29Å; S107-F160 WeakPolarHBondContact OG-CE1 3.24Å
108	I	96.9	Very high	97.5	Very high	80 Å²	80	40 Å²	40	41%	0.41	20%	0.2	S	C	.	.	H	α-helix	trans	-68.2	-40.5	174.5	-66.2	-76.4	0	0	0	110	Y85 Y104 E105 T106	Y85-I108 HydrophobicContact CE2-CD1 4.43Å; Y85-I108 VanDerWaalsContact OH-CD1 3.25Å; Y85-I108 WeakPolarHBondContact OH-CD1 3.38Å; Y104-I108 HydrophobicContact CD1-CG1 4.42Å; Y104-I108 HydrophobicContact CE1-CD1 4.34Å; Y104-I108 HydrophobicContact CE1-CG1 3.99Å; Y104-I108 HydrophobicContact CE2-CD1 4.06Å; Y104-I108 HydrophobicContact CE2-CG1 4.22Å; Y104-I108 WeakPolarHBondContact O-CG1 3.06Å; Y104-I108 PolarHBondContact O-N 2.85Å; Y104-I108 VanDerWaalsContact O-N 3.07Å; E105-I108 PolarHBondContact O-N 3.41Å; T106-I108 VanDerWaalsContact C-N 3.28Å; T106-I108 PolarHBondContact O-N 2.76Å
109	L	97.1	Very high	97.4	Very high	131 Å²	131	36.7 Å²	36.7	69%	0.686	19%	0.185	S	C	*	.	H	α-helix	trans	-74.8	-26.8	176.8	-58.9	176.5	0	0	0	112.6	E105 T106	E105-L109 PolarHBondContact O-N 3.24Å; T106-L109 PolarHBondContact O-N 3.16Å
110	H	96.1	Very high	97.4	Very high	67 Å²	67	40.5 Å²	40.5	31%	0.31	20%	0.203	S	C	.	.			trans	-131.2	66.4	-176	-57.7	-63	0	0	0	112.3	T106 S107 N112 S113 L197	T106-H110 PolarHBondContact O-N 2.99Å; S107-H110 CarbonylContact O-C 3.45Å; S107-H110 VanDerWaalsContact O-C 3.25Å; S107-H110 PolarHBondContact O-N 3.31Å; H110-N112 PolarHBondContact O-N 2.95Å; H110-S113 WeakPolarHBondContact O-CB 3.35Å; H110-S113 PolarHBondContact O-N 3.23Å; H110-L197 HydrophobicContact CB-CD1 3.51Å; H110-L197 VanDerWaalsContact CD2-CD1 3.48Å; H110-L197 WeakPolarHBondContact CD2-CD1 3.43Å; H110-L197 VanDerWaalsContact CG-CD1 3.43Å
111	P	91.8	Very high	97.3	Very high	63 Å²	63	41.6 Å²	41.6	41%	0.409	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-15.1	-169	25.5	-36	0	0	0	115.4	S107 S162	S107-P111 VanDerWaalsContact O-CA 3.24Å; S107-P111 WeakPolarHBondContact O-CA 3.48Å; P111-S162 PolarHBondContact O-OG 3.45Å; P111-S162 VanDerWaalsContact O-OG 3.06Å
112	N	93.3	Very high	97.2	Very high	103 Å²	103	41 Å²	41	55%	0.551	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.9	10.8	179.2	-62.4	-41.1	0	0	0	113.2	H110	H110-N112 PolarHBondContact O-N 2.95Å
113	S	96.8	Very high	97.1	Very high	10 Å²	10	43 Å²	43	7%	0.07	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	144.6	179.2	-73.7	0	0	0	0	112.2	H110 L165 S195 L197	H110-S113 WeakPolarHBondContact O-CB 3.35Å; H110-S113 PolarHBondContact O-N 3.23Å; S113-L165 VanDerWaalsContact O-CD2 3.3Å; S113-L165 WeakPolarHBondContact O-CD2 3.26Å; S113-S195 WeakPolarHBondContact CA-O 3.42Å; S113-S195 WeakPolarHBondContact CB-O 3.25Å; S113-S195 PolarHBondContact OG-O 3.4Å; S113-L197 WeakPolarHBondContact OG-CD1 3.49Å
114	L	97.8	Very high	96.9	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	115.4	164.3	-177.4	63.8	0	0	0	107.4	W159 C161 F185 F186 F189 L197	L114-W159 HydrophobicContact CD1-CB 3.98Å; L114-W159 HydrophobicContact CD1-CD2 3.87Å; L114-W159 HydrophobicContact CD1-CE3 3.84Å; L114-W159 HydrophobicContact CD1-CG 3.95Å; L114-W159 HydrophobicContact CD2-CD2 3.75Å; L114-W159 HydrophobicContact CD2-CE3 3.87Å; L114-W159 HydrophobicContact CD2-CG 4.36Å; L114-W159 HydrophobicContact CD2-CH2 4.01Å; L114-W159 HydrophobicContact CD2-CZ2 3.89Å; L114-W159 HydrophobicContact CD2-CZ3 4.01Å; L114-W159 HydrophobicContact CG-CD2 4.12Å; L114-W159 HydrophobicContact CG-CE3 4.38Å; L114-W159 HydrophobicContact CG-CG 4.26Å; L114-C161 HydrophobicContact CD1-CB 3.95Å; L114-F185 HydrophobicContact CD2-CE1 4.42Å; L114-F186 HydrophobicContact CD2-CD2 3.91Å; L114-F186 HydrophobicContact CD2-CE2 4.28Å; L114-F189 HydrophobicContact CB-CD1 4.32Å; L114-F189 HydrophobicContact CB-CE1 3.82Å; L114-F189 HydrophobicContact CB-CE2 4.08Å; L114-F189 HydrophobicContact CB-CZ 3.66Å; L114-F189 HydrophobicContact CD2-CD1 4.29Å; L114-F189 HydrophobicContact CD2-CE1 4.48Å; L114-L197 PolarHBondContact O-N 3.09Å
115	I	98.4	Very high	96.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.6	-171.7	-63.3	158.6	0	0	0	109.1	Q103 T106 S107 W159 F160 L197 L199	Q103-I115 HydrophobicContact CB-CG2 4.36Å; Q103-I115 HydrophobicContact CG-CG2 4.21Å; Q103-I115 PolarHBondContact NE2-O 3.22Å; T106-I115 HydrophobicContact CG2-CD1 3.78Å; T106-I115 HydrophobicContact CG2-CG1 4.17Å; T106-I115 HydrophobicContact CG2-CG2 4.26Å; S107-I115 VanDerWaalsContact N-CD1 3.29Å; I115-W159 CarbonylContact O-C 3.52Å; I115-W159 WeakPolarHBondContact O-CA 3.5Å; I115-F160 HydrophobicContact CB-CB 4.43Å; I115-F160 WeakPolarHBondContact CB-O 3.38Å; I115-F160 PolarHBondContact N-O 3.3Å; I115-F160 PolarHBondContact O-N 2.84Å; I115-L197 CarbonylContact C-O 3.52Å; I115-L197 WeakPolarHBondContact CA-O 3Å; I115-L197 HydrophobicContact CG1-CB 4.1Å; I115-L197 HydrophobicContact CG1-CD1 4.38Å; I115-L199 HydrophobicContact CG2-CG 4.43Å
116	G	98.3	Very high	96.4	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	-165.9	165.7	0	0	0	0	0	112.3	Q103 V154 T158 L197 L199	Q103-G116 PolarHBondContact NE2-O 3.44Å; G116-V154 VanDerWaalsContact CA-CG1 3.45Å; G116-T158 VanDerWaalsContact CA-OG1 3.25Å; G116-T158 WeakPolarHBondContact CA-OG1 3.27Å; G116-L197 PolarHBondContact N-O 3.35Å; G116-L199 PolarHBondContact O-N 3.11Å
117	C	98.4	Very high	96.1	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.034	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	170.4	177.9	58.8	0	0	0	0	110.2	L199 L203	C117-L199 CarbonylContact C-O 3.52Å; C117-L199 WeakPolarHBondContact CA-O 3.5Å; C117-L199 HydrophobicContact CB-CB 4.26Å; C117-L203 HydrophobicContact CB-CB 3.86Å; C117-L203 HydrophobicContact CB-CD1 3.92Å; C117-L203 HydrophobicContact CB-CG 4.15Å
118	G	97.9	Very high	95.8	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	160.3	167	0	0	0	0	0	111.7	N135 L199 Q201 R202 L203	G118-N135 WeakPolarHBondContact CA-OD1 3.45Å; G118-L199 PolarHBondContact N-O 3.34Å; G118-Q201 PolarHBondContact N-O 3.32Å; G118-R202 CarbonylContact O-C 3.58Å; G118-R202 VanDerWaalsContact O-CA 3.25Å; G118-R202 WeakPolarHBondContact O-CA 3.31Å; G118-L203 PolarHBondContact O-N 3.15Å
119	V	97.4	Very high	95.5	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.018	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	151.8	179.7	-52	0	0	0	0	112.4	I134 N135 T158 L204 Y206	V119-I134 HydrophobicContact CG2-CD1 3.35Å; V119-I134 HydrophobicContact CG2-CG1 4.1Å; V119-N135 PolarHBondContact N-OD1 2.91Å; V119-N135 PolarHBondContact O-ND2 3.34Å; V119-T158 HydrophobicContact CG1-CG2 3.49Å; V119-T158 VanDerWaalsContact CG1-CG2 3.49Å; V119-L204 CarbonylContact C-O 3.47Å; V119-L204 VanDerWaalsContact CA-O 3.24Å; V119-L204 WeakPolarHBondContact CA-O 3.35Å; V119-L204 HydrophobicContact CG1-CB 4.25Å; V119-L204 HydrophobicContact CG1-CD2 4.33Å; V119-Y206 HydrophobicContact CG2-CD1 4.37Å
120	Q	97.4	Very high	95.2	Very high	80 Å²	80	49.3 Å²	49.3	37%	0.374	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	136.5	165.6	-61	178.2	-2.7	0	0	108.4	R202 L204 V205 Y206	Q120-R202 HydrophobicContact CG-CB 3.88Å; Q120-R202 HydrophobicContact CG-CG 4.42Å; Q120-L204 PolarHBondContact N-O 3.44Å; Q120-V205 CarbonylContact O-C 3.54Å; Q120-V205 WeakPolarHBondContact O-CA 3.41Å; Q120-Y206 PolarHBondContact O-N 2.64Å
121	R	96.7	Very high	95.1	Very high	31 Å²	31	46.8 Å²	46.8	12%	0.117	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	143.4	178.7	-66.3	-69	-78.1	168.2	-17.1	110.9	P123 E124 S126 T127 A131 Y206 R207 Y208	R121-P123 CarbonylContact C-O 3.35Å; R121-P123 CarbonylContact O-C 3.58Å; R121-E124 PolarHBondContact O-N 2.9Å; R121-S126 WeakPolarHBondContact CG-O 3.41Å; R121-S126 PolarHBondContact NE-O 2.78Å; R121-S126 VanDerWaalsContact NE-O 3.13Å; R121-T127 VanDerWaalsContact CZ-OG1 3.29Å; R121-T127 PolarHBondContact NE-OG1 3.3Å; R121-T127 PolarHBondContact NH2-OG1 3.33Å; R121-A131 HydrophobicContact CG-CB 3.63Å; R121-Y206 VanDerWaalsContact NH1-CD1 3.28Å; R121-Y206 PolarHBondContact NH1-O 3.06Å; R121-R207 PolarHBondContact NH1-O 2.97Å; R121-Y208 VanDerWaalsContact NH2-CD2 3.27Å
122	L	96.6	Very high	95.1	Very high	56 Å²	56	49.2 Å²	49.2	29%	0.293	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	116	173.2	-179.8	62.4	0	0	0	109.3	I94 V205 Y206 R207 Y208	I94-L122 HydrophobicContact CD1-CD2 4.43Å; L122-V205 HydrophobicContact CB-CG1 3.56Å; L122-V205 HydrophobicContact CD2-CG1 3.87Å; L122-V205 HydrophobicContact CG-CG1 4.34Å; L122-Y206 PolarHBondContact N-O 3.06Å; L122-R207 VanDerWaalsContact CD2-NH1 3.31Å; L122-R207 VanDerWaalsContact CD2-NH2 3.35Å; L122-R207 CarbonylContact O-C 3.59Å; L122-R207 WeakPolarHBondContact O-CA 3.36Å; L122-Y208 PolarHBondContact O-N 2.83Å
123	P	96.8	Very high	95.1	Very high	74 Å²	74	44.9 Å²	44.9	48%	0.481	23%	0.23	S	C	.	.	S	Bend	cis	-60.2	152.3	-4.4	-23.1	34.5	0	0	0	114	R121 S126	R121-P123 CarbonylContact C-O 3.35Å; R121-P123 CarbonylContact O-C 3.58Å; P123-S126 WeakPolarHBondContact CD-OG 3.35Å; P123-S126 WeakPolarHBondContact O-CB 3.2Å; P123-S126 PolarHBondContact O-N 2.86Å; P123-S126 PolarHBondContact O-OG 2.73Å
124	E	95.4	Very high	94.9	Very high	187 Å²	187	44.6 Å²	44.6	87%	0.874	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	143.5	172.6	-172.9	171.2	-167.4	0	0	110.8	R121 S126	R121-E124 PolarHBondContact O-N 2.9Å; E124-S126 PolarHBondContact O-N 2.99Å
125	G	92.4	Very high	94.8	Very high	50 Å²	50	46 Å²	46	52%	0.515	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	-9.6	-176	0	0	0	0	0	115.1	T127 E128	G125-T127 PolarHBondContact O-N 2.81Å; G125-E128 PolarHBondContact O-N 3.38Å
126	S	93.9	Very high	94.6	Very high	19 Å²	19	49.6 Å²	49.6	13%	0.133	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	126.1	176.5	-58.6	0	0	0	0	111.3	R121 P123 E124 E128	R121-S126 WeakPolarHBondContact CG-O 3.41Å; R121-S126 PolarHBondContact NE-O 2.78Å; R121-S126 VanDerWaalsContact NE-O 3.13Å; P123-S126 WeakPolarHBondContact CD-OG 3.35Å; P123-S126 WeakPolarHBondContact O-CB 3.2Å; P123-S126 PolarHBondContact O-N 2.86Å; P123-S126 PolarHBondContact O-OG 2.73Å; E124-S126 PolarHBondContact O-N 2.99Å; S126-E128 VanDerWaalsContact C-N 3.32Å; S126-E128 PolarHBondContact O-N 2.93Å
127	T	91.3	Very high	94.4	Very high	56 Å²	56	49.9 Å²	49.9	34%	0.344	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	48.8	-178.7	67.1	0	0	0	0	112.9	R121 G125 R129 Y130 A131 Y208	R121-T127 VanDerWaalsContact CZ-OG1 3.29Å; R121-T127 PolarHBondContact NE-OG1 3.3Å; R121-T127 PolarHBondContact NH2-OG1 3.33Å; G125-T127 PolarHBondContact O-N 2.81Å; T127-R129 VanDerWaalsContact C-N 3.34Å; T127-R129 PolarHBondContact O-N 2.9Å; T127-Y130 WeakPolarHBondContact O-CB 3.45Å; T127-Y130 PolarHBondContact O-N 2.81Å; T127-A131 PolarHBondContact O-N 3.2Å; T127-Y208 HydrophobicContact CG2-CD2 4.16Å; T127-Y208 HydrophobicContact CG2-CE2 4.07Å
128	E	92.1	Very high	94.2	Very high	119 Å²	119	53.3 Å²	53.3	56%	0.556	28%	0.282	S	S	*	.	H	α-helix	trans	-53.1	-44	-169.3	-162.1	-163.9	164.7	0	0	114.3	G125 S126 Y130 A131 R132	G125-E128 PolarHBondContact O-N 3.38Å; S126-E128 VanDerWaalsContact C-N 3.32Å; S126-E128 PolarHBondContact O-N 2.93Å; E128-Y130 VanDerWaalsContact C-N 3.33Å; E128-Y130 PolarHBondContact O-N 2.97Å; E128-A131 PolarHBondContact O-N 3.03Å; E128-R132 VanDerWaalsContact CD-NH2 3.33Å; E128-R132 WeakPolarHBondContact O-CB 3.43Å; E128-R132 PolarHBondContact O-N 2.66Å; E128-R132 IonicContact OE1-NH2 3.72Å; E128-R132 PolarHBondContact OE1-NH2 2.58Å; E128-R132 IonicContact OE2-NH2 3.17Å
129	R	89.6	Confident	94	Very high	68 Å²	68	60.4 Å²	60.4	26%	0.257	31%	0.309	S	S	.	.	H	α-helix	trans	-60.3	-43	178	-179.4	172.2	173	-107.2	1	112	T127 R132 W133 L312 D313	T127-R129 VanDerWaalsContact C-N 3.34Å; T127-R129 PolarHBondContact O-N 2.9Å; R129-R132 PolarHBondContact O-N 3.32Å; R129-W133 WeakPolarHBondContact O-CB 3.47Å; R129-W133 PolarHBondContact O-N 3.08Å; R129-L312 VanDerWaalsContact CZ-O 3.3Å; R129-L312 PolarHBondContact NE-O 3.09Å; R129-L312 VanDerWaalsContact NE-O 3.08Å; R129-L312 PolarHBondContact NH2-O 3.12Å; R129-D313 IonicContact NE-OD2 2.95Å
130	Y	91	Very high	93.9	Very high	44 Å²	44	65.9 Å²	65.9	17%	0.173	34%	0.338	C	S	.	.	H	α-helix	trans	-65.6	-45.9	176.3	174.9	-120.7	0	0	0	111.1	T127 E128 R132 W133 I134 H150 V155 Y206	T127-Y130 WeakPolarHBondContact O-CB 3.45Å; T127-Y130 PolarHBondContact O-N 2.81Å; E128-Y130 VanDerWaalsContact C-N 3.33Å; E128-Y130 PolarHBondContact O-N 2.97Å; Y130-R132 VanDerWaalsContact C-N 3.29Å; Y130-R132 PolarHBondContact O-N 3.46Å; Y130-W133 HydrophobicContact CD2-CE3 4.15Å; Y130-W133 HydrophobicContact CE2-CE3 4.06Å; Y130-W133 HydrophobicContact CE2-CZ3 4.2Å; Y130-W133 PolarHBondContact O-N 3.04Å; Y130-I134 HydrophobicContact CD1-CD1 4.3Å; Y130-I134 HydrophobicContact CD2-CG2 3.78Å; Y130-I134 HydrophobicContact CE1-CD1 3.97Å; Y130-I134 HydrophobicContact CE1-CG2 4.28Å; Y130-I134 HydrophobicContact CE2-CG2 3.25Å; Y130-I134 HydrophobicContact CG-CG2 4.49Å; Y130-I134 WeakPolarHBondContact O-CG1 3.47Å; Y130-I134 PolarHBondContact O-N 3.18Å; Y130-H150 HydrophobicContact CD2-CB 3.74Å; Y130-H150 AromaticContact CD2-CD2 3.75Å; Y130-H150 HydrophobicContact CE2-CB 3.78Å; Y130-H150 VanDerWaalsContact CE2-O 3.28Å; Y130-H150 WeakPolarHBondContact CE2-O 3.28Å; Y130-V155 WeakPolarHBondContact OH-CG1 3.25Å; Y130-Y206 HydrophobicContact CE1-CE1 4.19Å
131	A	93.2	Very high	93.7	Very high	13 Å²	13	64.2 Å²	64.2	11%	0.107	33%	0.331	C	S	.	.	H	α-helix	trans	-61.5	-36.2	178.4	0	0	0	0	0	112.6	R121 T127 E128 I134 N135	R121-A131 HydrophobicContact CG-CB 3.63Å; T127-A131 PolarHBondContact O-N 3.2Å; E128-A131 PolarHBondContact O-N 3.03Å; A131-I134 WeakPolarHBondContact O-CG1 3.39Å; A131-N135 VanDerWaalsContact O-CB 3.27Å; A131-N135 WeakPolarHBondContact O-CB 3.33Å; A131-N135 VanDerWaalsContact O-CG 3.3Å; A131-N135 PolarHBondContact O-N 3.02Å; A131-N135 PolarHBondContact O-ND2 3.4Å
132	R	92.7	Very high	93.7	Very high	114 Å²	114	62.9 Å²	62.9	43%	0.43	33%	0.326	S	S	.	.	H	α-helix	trans	-65.3	-50.9	173.2	-167.8	-178.5	-55.6	126.1	3.5	110.6	E128 R129 Y130 N135 S136	E128-R132 VanDerWaalsContact CD-NH2 3.33Å; E128-R132 WeakPolarHBondContact O-CB 3.43Å; E128-R132 PolarHBondContact O-N 2.66Å; E128-R132 IonicContact OE1-NH2 3.72Å; E128-R132 PolarHBondContact OE1-NH2 2.58Å; E128-R132 IonicContact OE2-NH2 3.17Å; R129-R132 PolarHBondContact O-N 3.32Å; Y130-R132 VanDerWaalsContact C-N 3.29Å; Y130-R132 PolarHBondContact O-N 3.46Å; R132-N135 PolarHBondContact O-N 3.42Å; R132-S136 VanDerWaalsContact O-CB 3.31Å; R132-S136 WeakPolarHBondContact O-CB 3.41Å; R132-S136 PolarHBondContact O-N 3.26Å; R132-S136 PolarHBondContact O-OG 2.73Å; R132-S136 VanDerWaalsContact O-OG 3.05Å
133	W	92.6	Very high	93.6	Very high	12 Å²	12	63.3 Å²	63.3	5%	0.045	33%	0.328	C	S	.	.	H	α-helix	trans	-55.2	-56.7	-179.7	-179.5	78.3	0	0	0	111.9	R129 Y130 N135 S136 L137 Q145 T148 H150 T153	R129-W133 WeakPolarHBondContact O-CB 3.47Å; R129-W133 PolarHBondContact O-N 3.08Å; Y130-W133 HydrophobicContact CD2-CE3 4.15Å; Y130-W133 HydrophobicContact CE2-CE3 4.06Å; Y130-W133 HydrophobicContact CE2-CZ3 4.2Å; Y130-W133 PolarHBondContact O-N 3.04Å; W133-N135 PolarHBondContact O-N 2.91Å; W133-N135 VanDerWaalsContact O-N 3.12Å; W133-S136 PolarHBondContact O-N 2.63Å; W133-S136 VanDerWaalsContact O-N 3.09Å; W133-S136 PolarHBondContact O-OG 3.36Å; W133-L137 HydrophobicContact CD2-CD1 4.42Å; W133-L137 HydrophobicContact CH2-CD1 3.95Å; W133-L137 HydrophobicContact CZ2-CD1 3.77Å; W133-L137 HydrophobicContact CZ2-CD2 4.15Å; W133-L137 HydrophobicContact CZ2-CG 4.49Å; W133-L137 HydrophobicContact CZ3-CD1 4.34Å; W133-L137 WeakPolarHBondContact O-CG 3.16Å; W133-L137 PolarHBondContact O-N 2.9Å; W133-Q145 HydrophobicContact CZ2-CB 4.01Å; W133-T148 WeakPolarHBondContact CH2-OG1 3.42Å; W133-T148 HydrophobicContact CZ2-CG2 4.35Å; W133-T148 WeakPolarHBondContact CZ2-OG1 3.08Å; W133-H150 HydrophobicContact CD2-CB 3.78Å; W133-H150 HydrophobicContact CE3-CB 3.24Å; W133-H150 HydrophobicContact CH2-CB 3.75Å; W133-H150 HydrophobicContact CZ2-CB 4.2Å; W133-H150 HydrophobicContact CZ3-CB 3.24Å; W133-H150 VanDerWaalsContact CZ3-O 3.29Å; W133-H150 WeakPolarHBondContact CZ3-O 3.35Å; W133-T153 HydrophobicContact CH2-CG2 3.73Å; W133-T153 HydrophobicContact CZ2-CG2 3.97Å
134	I	93.4	Very high	93.4	Very high	4 Å²	4	60.5 Å²	60.5	2%	0.021	31%	0.309	C	S	.	.	H	α-helix	trans	-62	-25.6	-178.1	64.6	-171.3	0	0	0	113.5	V119 Y130 A131 V155 R198	V119-I134 HydrophobicContact CG2-CD1 3.35Å; V119-I134 HydrophobicContact CG2-CG1 4.1Å; Y130-I134 HydrophobicContact CD1-CD1 4.3Å; Y130-I134 HydrophobicContact CD2-CG2 3.78Å; Y130-I134 HydrophobicContact CE1-CD1 3.97Å; Y130-I134 HydrophobicContact CE1-CG2 4.28Å; Y130-I134 HydrophobicContact CE2-CG2 3.25Å; Y130-I134 HydrophobicContact CG-CG2 4.49Å; Y130-I134 WeakPolarHBondContact O-CG1 3.47Å; Y130-I134 PolarHBondContact O-N 3.18Å; A131-I134 WeakPolarHBondContact O-CG1 3.39Å; I134-V155 HydrophobicContact CB-CG2 3.71Å; I134-V155 HydrophobicContact CD1-CG2 4.16Å; I134-V155 HydrophobicContact CG1-CG2 4.48Å; I134-V155 HydrophobicContact CG2-CG2 3.41Å; I134-V155 VanDerWaalsContact CG2-CG2 3.41Å; I134-R198 WeakPolarHBondContact O-CD 3.41Å; I134-R198 PolarHBondContact O-NE 3.1Å
135	N	95.6	Very high	93.3	Very high	32 Å²	32	51.9 Å²	51.9	17%	0.171	27%	0.269	C	S	.	.	H	α-helix	trans	-90.6	-15.6	179.9	-76.8	-43.2	0	0	0	113.8	G118 V119 A131 R132 W133 R198	G118-N135 WeakPolarHBondContact CA-OD1 3.45Å; V119-N135 PolarHBondContact N-OD1 2.91Å; V119-N135 PolarHBondContact O-ND2 3.34Å; A131-N135 VanDerWaalsContact O-CB 3.27Å; A131-N135 WeakPolarHBondContact O-CB 3.33Å; A131-N135 VanDerWaalsContact O-CG 3.3Å; A131-N135 PolarHBondContact O-N 3.02Å; A131-N135 PolarHBondContact O-ND2 3.4Å; R132-N135 PolarHBondContact O-N 3.42Å; W133-N135 PolarHBondContact O-N 2.91Å; W133-N135 VanDerWaalsContact O-N 3.12Å; N135-R198 VanDerWaalsContact O-CZ 3.27Å; N135-R198 PolarHBondContact O-NH1 3.21Å; N135-R198 PolarHBondContact O-NH2 3.36Å
136	S	94.1	Very high	93.4	Very high	75 Å²	75	49.5 Å²	49.5	52%	0.524	25%	0.245	S	C	.	.	H	α-helix	trans	-108	-8.4	-173.3	69.8	0	0	0	0	114.7	R132 W133 T138	R132-S136 VanDerWaalsContact O-CB 3.31Å; R132-S136 WeakPolarHBondContact O-CB 3.41Å; R132-S136 PolarHBondContact O-N 3.26Å; R132-S136 PolarHBondContact O-OG 2.73Å; R132-S136 VanDerWaalsContact O-OG 3.05Å; W133-S136 PolarHBondContact O-N 2.63Å; W133-S136 VanDerWaalsContact O-N 3.09Å; W133-S136 PolarHBondContact O-OG 3.36Å; S136-T138 PolarHBondContact O-N 3.26Å
137	L	94.2	Very high	93.3	Very high	6 Å²	6	48.9 Å²	48.9	3%	0.031	24%	0.239	C	C	.	.			trans	-59.6	127.8	179.4	-64.6	175.3	0	0	0	111.2	W133 Q141 L142 Q145 T153 R198	W133-L137 HydrophobicContact CD2-CD1 4.42Å; W133-L137 HydrophobicContact CH2-CD1 3.95Å; W133-L137 HydrophobicContact CZ2-CD1 3.77Å; W133-L137 HydrophobicContact CZ2-CD2 4.15Å; W133-L137 HydrophobicContact CZ2-CG 4.49Å; W133-L137 HydrophobicContact CZ3-CD1 4.34Å; W133-L137 WeakPolarHBondContact O-CG 3.16Å; W133-L137 PolarHBondContact O-N 2.9Å; L137-Q141 HydrophobicContact CB-CB 4.2Å; L137-Q141 HydrophobicContact CD2-CB 3.88Å; L137-L142 HydrophobicContact CB-CD2 3.9Å; L137-L142 HydrophobicContact CD1-CD2 3.96Å; L137-Q145 HydrophobicContact CD2-CB 4.28Å; L137-Q145 HydrophobicContact CD2-CG 4.32Å; L137-Q145 VanDerWaalsContact CD2-OE1 3.27Å; L137-T153 HydrophobicContact CD1-CG2 3.83Å; L137-R198 PolarHBondContact O-NH2 3.19Å
138	T	94.9	Very high	93.3	Very high	76 Å²	76	46.2 Å²	46.2	47%	0.466	22%	0.223	S	C	.	.			trans	-68.7	167.1	166.3	64.7	0	0	0	0	110.9	S136 D140 Q141 L142	S136-T138 PolarHBondContact O-N 3.26Å; T138-D140 VanDerWaalsContact C-N 3.29Å; T138-D140 PolarHBondContact O-N 3.39Å; T138-Q141 PolarHBondContact O-N 2.54Å; T138-Q141 VanDerWaalsContact O-N 3.1Å; T138-Q141 WeakPolarHBondContact OG1-CB 3.15Å; T138-Q141 VanDerWaalsContact OG1-CG 3.23Å; T138-Q141 WeakPolarHBondContact OG1-CG 3.5Å; T138-Q141 PolarHBondContact OG1-N 2.73Å; T138-Q141 PolarHBondContact OG1-OE1 2.79Å; T138-Q141 VanDerWaalsContact OG1-OE1 3.05Å; T138-L142 PolarHBondContact O-N 3.26Å
139	R	93.3	Very high	92.8	Very high	149 Å²	149	43 Å²	43	56%	0.562	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-43.1	178.7	-174.2	174.1	-176.2	152.7	-1.7	112.8	Q141 L142 L197	R139-Q141 VanDerWaalsContact C-N 3.35Å; R139-L142 WeakPolarHBondContact O-CB 3.48Å; R139-L142 PolarHBondContact O-N 2.96Å; R139-L197 VanDerWaalsContact CZ-CD2 3.48Å
140	D	93.9	Very high	92.2	Very high	118 Å²	118	41 Å²	41	63%	0.631	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-36.2	179	-64.7	-20.8	0	0	0	111	T138 L142 L143 T144	T138-D140 VanDerWaalsContact C-N 3.29Å; T138-D140 PolarHBondContact O-N 3.39Å; D140-L142 VanDerWaalsContact C-N 3.25Å; D140-L142 PolarHBondContact O-N 3.33Å; D140-L143 WeakPolarHBondContact O-CA 3.44Å; D140-L143 WeakPolarHBondContact O-CB 3.41Å; D140-L143 PolarHBondContact O-N 3.46Å; D140-T144 PolarHBondContact O-N 3.32Å; D140-T144 PolarHBondContact O-OG1 3.4Å
141	Q	94.7	Very high	91.2	Very high	46 Å²	46	40 Å²	40	22%	0.215	21%	0.21	C	C	.	.	H	α-helix	trans	-66.6	-23.7	177	-73.3	173.4	-36	0	0	114	L137 T138 R139 L143 T144 Q145 E330	L137-Q141 HydrophobicContact CB-CB 4.2Å; L137-Q141 HydrophobicContact CD2-CB 3.88Å; T138-Q141 PolarHBondContact O-N 2.54Å; T138-Q141 VanDerWaalsContact O-N 3.1Å; T138-Q141 WeakPolarHBondContact OG1-CB 3.15Å; T138-Q141 VanDerWaalsContact OG1-CG 3.23Å; T138-Q141 WeakPolarHBondContact OG1-CG 3.5Å; T138-Q141 PolarHBondContact OG1-N 2.73Å; T138-Q141 PolarHBondContact OG1-OE1 2.79Å; T138-Q141 VanDerWaalsContact OG1-OE1 3.05Å; R139-Q141 VanDerWaalsContact C-N 3.35Å; Q141-L143 PolarHBondContact O-N 3.17Å; Q141-T144 WeakPolarHBondContact CA-OG1 3.39Å; Q141-T144 PolarHBondContact O-N 3.07Å; Q141-Q145 HydrophobicContact CB-CG 4.16Å; Q141-Q145 HydrophobicContact CG-CG 4.35Å; Q141-Q145 WeakPolarHBondContact O-CB 3.37Å; Q141-Q145 PolarHBondContact O-N 3.1Å; Q141-E330 PolarHBondContact NE2-OE2 3.12Å
142	L	95.4	Very high	91.2	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.016	21%	0.206	C	C	.	.	H	α-helix	trans	-59.2	-28	169.2	-62.2	177.2	0	0	0	111.9	L137 T138 R139 D140 T153 V154 P196 R198	L137-L142 HydrophobicContact CB-CD2 3.9Å; L137-L142 HydrophobicContact CD1-CD2 3.96Å; T138-L142 PolarHBondContact O-N 3.26Å; R139-L142 WeakPolarHBondContact O-CB 3.48Å; R139-L142 PolarHBondContact O-N 2.96Å; D140-L142 VanDerWaalsContact C-N 3.25Å; D140-L142 PolarHBondContact O-N 3.33Å; L142-T153 WeakPolarHBondContact CD2-O 3.4Å; L142-T153 WeakPolarHBondContact O-CB 3.21Å; L142-T153 PolarHBondContact O-OG1 3.41Å; L142-V154 HydrophobicContact CD1-CG2 4.19Å; L142-V154 HydrophobicContact CD2-CG2 4.02Å; L142-P196 HydrophobicContact CB-CB 4.26Å; L142-P196 HydrophobicContact CB-CG 3.79Å; L142-P196 HydrophobicContact CD1-CB 4.47Å; L142-R198 HydrophobicContact CD1-CB 3.91Å; L142-R198 HydrophobicContact CD2-CB 4.37Å
143	L	94.3	Very high	91.3	Very high	64 Å²	64	34.1 Å²	34.1	34%	0.335	19%	0.186	S	C	.	.	H	α-helix	trans	-92.1	-47.3	176	-68.8	170	0	0	0	111.9	D140 Q141 A146 L190 P196	D140-L143 WeakPolarHBondContact O-CA 3.44Å; D140-L143 WeakPolarHBondContact O-CB 3.41Å; D140-L143 PolarHBondContact O-N 3.46Å; Q141-L143 PolarHBondContact O-N 3.17Å; L143-A146 WeakPolarHBondContact O-CB 3.22Å; L143-L190 HydrophobicContact CD2-CD2 3.6Å; L143-P196 VanDerWaalsContact CD2-CD 3.48Å; L143-P196 HydrophobicContact CD2-CG 3.86Å; L143-P196 HydrophobicContact CG-CG 4.2Å
144	T	93.9	Very high	91.4	Very high	15 Å²	15	33.6 Å²	33.6	9%	0.092	18%	0.183	C	C	.	.	H	α-helix	trans	-76.2	-25.4	-171.7	60	0	0	0	0	113.2	D140 Q141 Y147 E330 G331 Y335	D140-T144 PolarHBondContact O-N 3.32Å; D140-T144 PolarHBondContact O-OG1 3.4Å; Q141-T144 WeakPolarHBondContact CA-OG1 3.39Å; Q141-T144 PolarHBondContact O-N 3.07Å; T144-Y147 WeakPolarHBondContact O-CD2 3.49Å; T144-E330 WeakPolarHBondContact CB-OE1 3.46Å; T144-E330 HydrophobicContact CG2-CG 4.5Å; T144-E330 VanDerWaalsContact OG1-CD 3.28Å; T144-E330 PolarHBondContact OG1-OE1 3.29Å; T144-G331 VanDerWaalsContact CG2-CA 3.49Å; T144-Y335 HydrophobicContact CG2-CE1 4.15Å; T144-Y335 WeakPolarHBondContact O-CD1 3.38Å
145	Q	93.8	Very high	91.4	Very high	6 Å²	6	33.8 Å²	33.8	3%	0.028	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	13.7	179.7	-56.1	-161.7	11.5	0	0	114.2	W133 L137 Q141 Y147 T148 T153 E330	W133-Q145 HydrophobicContact CZ2-CB 4.01Å; L137-Q145 HydrophobicContact CD2-CB 4.28Å; L137-Q145 HydrophobicContact CD2-CG 4.32Å; L137-Q145 VanDerWaalsContact CD2-OE1 3.27Å; Q141-Q145 HydrophobicContact CB-CG 4.16Å; Q141-Q145 HydrophobicContact CG-CG 4.35Å; Q141-Q145 WeakPolarHBondContact O-CB 3.37Å; Q141-Q145 PolarHBondContact O-N 3.1Å; Q145-Y147 PolarHBondContact O-N 2.88Å; Q145-T148 HydrophobicContact CB-CG2 3.98Å; Q145-T148 WeakPolarHBondContact O-CG2 3.41Å; Q145-T148 PolarHBondContact O-N 3.02Å; Q145-T148 PolarHBondContact O-OG1 3.02Å; Q145-T148 VanDerWaalsContact O-OG1 3.1Å; Q145-T153 HydrophobicContact CB-CG2 4.24Å; Q145-E330 WeakPolarHBondContact CG-OE1 3.46Å; Q145-E330 PolarHBondContact NE2-OE1 3.46Å; Q145-E330 VanDerWaalsContact NE2-OE1 3.15Å; Q145-E330 PolarHBondContact NE2-OE2 3.27Å
146	A	93.6	Very high	91.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-13.4	174.6	0	0	0	0	0	113.7	L143 F186 Y187 L190 F229	L143-A146 WeakPolarHBondContact O-CB 3.22Å; A146-F186 HydrophobicContact CB-CE1 4.39Å; A146-Y187 PolarHBondContact O-OH 3.06Å; A146-L190 HydrophobicContact CB-CD1 3.88Å; A146-F229 HydrophobicContact CB-CE1 4.27Å
147	Y	92.5	Very high	91.3	Very high	6 Å²	6	29 Å²	29	2%	0.024	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	6.8	-177.9	-40.7	-78.5	0	0	0	113.9	T144 Q145 R226 F229 L230 R233 V234 Y335 F337	T144-Y147 WeakPolarHBondContact O-CD2 3.49Å; Q145-Y147 PolarHBondContact O-N 2.88Å; Y147-R226 PolarHBondContact O-NE 3.1Å; Y147-R226 PolarHBondContact O-NH2 3.16Å; Y147-F229 AromaticContact CD1-CD1 3.68Å; Y147-F229 HydrophobicContact CD1-CD1 3.68Å; Y147-F229 HydrophobicContact CD1-CE1 4.36Å; Y147-F229 HydrophobicContact CD1-CG 4.49Å; Y147-F229 AromaticContact CE1-CD1 3.28Å; Y147-F229 HydrophobicContact CE1-CD1 3.28Å; Y147-F229 AromaticContact CE1-CE1 3.66Å; Y147-F229 HydrophobicContact CE1-CE1 3.66Å; Y147-F229 HydrophobicContact CE1-CG 4.09Å; Y147-L230 HydrophobicContact CD1-CB 3.84Å; Y147-L230 HydrophobicContact CD1-CD1 3.97Å; Y147-L230 HydrophobicContact CD2-CD1 4.05Å; Y147-L230 HydrophobicContact CE1-CB 4.38Å; Y147-L230 HydrophobicContact CE1-CD1 4.38Å; Y147-L230 HydrophobicContact CE2-CD1 4.46Å; Y147-L230 HydrophobicContact CG-CB 4.35Å; Y147-L230 HydrophobicContact CG-CD1 3.8Å; Y147-R233 HydrophobicContact CE1-CB 4.28Å; Y147-R233 VanDerWaalsContact OH-CB 3.28Å; Y147-R233 WeakPolarHBondContact OH-CB 3.48Å; Y147-V234 HydrophobicContact CD2-CG2 4.5Å; Y147-V234 HydrophobicContact CE1-CG2 4.23Å; Y147-V234 HydrophobicContact CE2-CG2 3.67Å; Y147-V234 WeakPolarHBondContact OH-CG2 3.23Å; Y147-Y335 AromaticContact CD2-CD1 3.91Å; Y147-Y335 HydrophobicContact CD2-CD1 3.91Å; Y147-Y335 AromaticContact CE2-CD1 3.56Å; Y147-Y335 HydrophobicContact CE2-CD1 3.56Å; Y147-Y335 AromaticContact CE2-CE1 3.83Å; Y147-Y335 HydrophobicContact CE2-CE1 3.83Å; Y147-F337 WeakPolarHBondContact O-CD2 3.34Å
148	T	89.8	Confident	91.5	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	15%	0.152	C	C	.	.	S	Bend	trans	-81.6	162.5	175.9	68.8	0	0	0	0	111.7	W133 Q145 H150 G151 R226 H336 N338	W133-T148 WeakPolarHBondContact CH2-OG1 3.42Å; W133-T148 HydrophobicContact CZ2-CG2 4.35Å; W133-T148 WeakPolarHBondContact CZ2-OG1 3.08Å; Q145-T148 HydrophobicContact CB-CG2 3.98Å; Q145-T148 WeakPolarHBondContact O-CG2 3.41Å; Q145-T148 PolarHBondContact O-N 3.02Å; Q145-T148 PolarHBondContact O-OG1 3.02Å; Q145-T148 VanDerWaalsContact O-OG1 3.1Å; T148-H150 PolarHBondContact O-N 3.45Å; T148-H150 VanDerWaalsContact O-N 3.16Å; T148-G151 PolarHBondContact O-N 3.18Å; T148-R226 VanDerWaalsContact C-NE 3.27Å; T148-R226 WeakPolarHBondContact O-CD 3.41Å; T148-R226 PolarHBondContact O-NE 2.86Å; T148-H336 HydrophobicContact CG2-CB 4.17Å; T148-N338 WeakPolarHBondContact CB-OD1 3.49Å; T148-N338 VanDerWaalsContact CG2-OD1 3.3Å; T148-N338 WeakPolarHBondContact CG2-OD1 3.43Å
149	S	82.4	Confident	91.7	Very high	50 Å²	50	25.1 Å²	25.1	35%	0.35	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-12	179	39.9	0	0	0	0	114	R226 N338	S149-R226 VanDerWaalsContact CA-NH1 3.26Å; S149-R226 VanDerWaalsContact CB-NH1 3.3Å; S149-N338 VanDerWaalsContact CB-O 3.24Å; S149-N338 WeakPolarHBondContact CB-O 3.32Å; S149-N338 PolarHBondContact N-O 3.27Å; S149-N338 PolarHBondContact OG-O 3.39Å; S149-N338 PolarHBondContact OG-OXT 2.92Å
150	H	77.1	Confident	91.9	Very high	28 Å²	28	18.4 Å²	18.4	13%	0.13	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-2.9	-174.4	-54.5	112.5	0	0	0	113.1	Y130 W133 T148	Y130-H150 HydrophobicContact CD2-CB 3.74Å; Y130-H150 AromaticContact CD2-CD2 3.75Å; Y130-H150 HydrophobicContact CE2-CB 3.78Å; Y130-H150 VanDerWaalsContact CE2-O 3.28Å; Y130-H150 WeakPolarHBondContact CE2-O 3.28Å; W133-H150 HydrophobicContact CD2-CB 3.78Å; W133-H150 HydrophobicContact CE3-CB 3.24Å; W133-H150 HydrophobicContact CH2-CB 3.75Å; W133-H150 HydrophobicContact CZ2-CB 4.2Å; W133-H150 HydrophobicContact CZ3-CB 3.24Å; W133-H150 VanDerWaalsContact CZ3-O 3.29Å; W133-H150 WeakPolarHBondContact CZ3-O 3.35Å; T148-H150 PolarHBondContact O-N 3.45Å; T148-H150 VanDerWaalsContact O-N 3.16Å
151	G	70.8	Confident	92.2	Very high	21 Å²	21	12.8 Å²	12.8	22%	0.216	8%	0.075	C	C	.	.			trans	-59	159.8	-175.5	0	0	0	0	0	114.3	T148	T148-G151 PolarHBondContact O-N 3.18Å
152	P	91.6	Very high	92.3	Very high	5 Å²	5	11.2 Å²	11.2	3%	0.032	7%	0.069	C	C	.	.			cis	-69.3	151.4	0.4	28.6	-35.2	0	0	0	113.7	V154 W159 L183 F186	P152-V154 VanDerWaalsContact C-N 3.27Å; P152-V154 WeakPolarHBondContact CB-O 3.45Å; P152-V154 WeakPolarHBondContact CG-O 3.31Å; P152-V154 PolarHBondContact O-N 2.94Å; P152-W159 HydrophobicContact CB-CZ2 4.4Å; P152-W159 HydrophobicContact CG-CZ2 4.18Å; P152-L183 HydrophobicContact CB-CD1 4.48Å; P152-F186 HydrophobicContact CB-CB 3.88Å; P152-F186 HydrophobicContact CB-CD1 3.66Å; P152-F186 HydrophobicContact CB-CD2 4.07Å; P152-F186 HydrophobicContact CB-CE1 4.19Å; P152-F186 HydrophobicContact CB-CG 3.59Å
153	T	94.6	Very high	92.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.077	C	C	.	.	S	Bend	trans	-71.2	-23.6	-177.7	47.9	0	0	0	0	113.1	W133 L137 L142 Q145 F186	W133-T153 HydrophobicContact CH2-CG2 3.73Å; W133-T153 HydrophobicContact CZ2-CG2 3.97Å; L137-T153 HydrophobicContact CD1-CG2 3.83Å; L142-T153 WeakPolarHBondContact CD2-O 3.4Å; L142-T153 WeakPolarHBondContact O-CB 3.21Å; L142-T153 PolarHBondContact O-OG1 3.41Å; Q145-T153 HydrophobicContact CB-CG2 4.24Å; T153-F186 WeakPolarHBondContact OG1-CE1 3.3Å; T153-F186 WeakPolarHBondContact OG1-CZ 3.36Å
154	V	95.4	Very high	92.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-104.7	114.4	161.2	-177	0	0	0	0	106.5	G116 L142 P152 W159 F186 P196	G116-V154 VanDerWaalsContact CA-CG1 3.45Å; L142-V154 HydrophobicContact CD1-CG2 4.19Å; L142-V154 HydrophobicContact CD2-CG2 4.02Å; P152-V154 VanDerWaalsContact C-N 3.27Å; P152-V154 WeakPolarHBondContact CB-O 3.45Å; P152-V154 WeakPolarHBondContact CG-O 3.31Å; P152-V154 PolarHBondContact O-N 2.94Å; V154-W159 PolarHBondContact O-NE1 3.33Å; V154-F186 HydrophobicContact CB-CE2 4.25Å; V154-F186 HydrophobicContact CG2-CE2 4.45Å; V154-P196 HydrophobicContact CG2-CB 3.62Å
155	V	93.8	Very high	92.8	Very high	9 Å²	9	18.3 Å²	18.3	6%	0.055	10%	0.095	C	C	.	.			trans	-84	135	-164.4	-177.6	0	0	0	0	111.2	Y130 I134 T158 Y206	Y130-V155 WeakPolarHBondContact OH-CG1 3.25Å; I134-V155 HydrophobicContact CB-CG2 3.71Å; I134-V155 HydrophobicContact CD1-CG2 4.16Å; I134-V155 HydrophobicContact CG1-CG2 4.48Å; I134-V155 HydrophobicContact CG2-CG2 3.41Å; I134-V155 VanDerWaalsContact CG2-CG2 3.41Å; V155-T158 VanDerWaalsContact O-CB 3.27Å; V155-T158 WeakPolarHBondContact O-CB 3.43Å; V155-T158 WeakPolarHBondContact O-CG2 3.44Å; V155-T158 PolarHBondContact O-N 3.05Å; V155-T158 PolarHBondContact O-OG1 3.34Å; V155-Y206 HydrophobicContact CG1-CE1 4.03Å
156	M	93.4	Very high	93	Very high	6 Å²	6	18 Å²	18	3%	0.03	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	137.6	164	-175.7	71.7	72.6	0	0	108.9	K74 F88 W159 F172 D182	K74-M156 VanDerWaalsContact NZ-CG 3.34Å; F88-M156 HydrophobicContact CB-SD 3.84Å; F88-M156 HydrophobicContact CD1-SD 4.44Å; F88-M156 HydrophobicContact CG-SD 4.17Å; M156-W159 HydrophobicContact CE-CD2 3.59Å; M156-W159 HydrophobicContact CE-CE3 3.23Å; M156-W159 HydrophobicContact CE-CG 4.26Å; M156-W159 HydrophobicContact CE-CH2 4.07Å; M156-W159 HydrophobicContact CE-CZ2 4.36Å; M156-W159 HydrophobicContact CE-CZ3 3.5Å; M156-W159 VanDerWaalsContact CE-CZ3 3.5Å; M156-W159 HydrophobicContact SD-CD2 4.29Å; M156-W159 HydrophobicContact SD-CE3 4.4Å; M156-W159 HydrophobicContact SD-CG 4.38Å; M156-F172 HydrophobicContact CE-CE1 3.71Å; M156-F172 HydrophobicContact CE-CZ 3.65Å; M156-D182 HydrophobicContact CB-CB 3.94Å; M156-D182 WeakPolarHBondContact CB-OD2 3.43Å; M156-D182 HydrophobicContact CE-CB 4.03Å; M156-D182 HydrophobicContact CG-CB 4.26Å
157	P	94.7	Very high	93.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	cis	-99.3	26.3	11.9	37.2	-33.7	0	0	0	115.4	F88 D90 D93 R99 W159 L204	F88-P157 CarbonylContact C-O 3.5Å; D90-P157 HydrophobicContact CB-CB 4.12Å; D90-P157 HydrophobicContact CB-CG 3.94Å; D90-P157 WeakPolarHBondContact OD2-CB 3.38Å; D93-P157 HydrophobicContact CB-CG 4.43Å; D93-P157 VanDerWaalsContact OD2-CD 3.24Å; D93-P157 WeakPolarHBondContact OD2-CD 3.06Å; D93-P157 WeakPolarHBondContact OD2-CG 3.29Å; R99-P157 PolarHBondContact NH2-O 2.78Å; P157-W159 PolarHBondContact O-N 3.07Å; P157-L204 HydrophobicContact CG-CD2 3.83Å
158	T	98.1	Very high	93.5	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	15%	0.146	C	C	.	.	S	Bend	trans	-67.5	-8.5	-178.9	73.1	0	0	0	0	114.1	R99 Q103 G116 V119 V155 L204	R99-T158 VanDerWaalsContact NH2-CA 3.33Å; R99-T158 PolarHBondContact NH2-O 3.05Å; R99-T158 VanDerWaalsContact NH2-O 3.12Å; Q103-T158 PolarHBondContact NE2-O 3.07Å; G116-T158 VanDerWaalsContact CA-OG1 3.25Å; G116-T158 WeakPolarHBondContact CA-OG1 3.27Å; V119-T158 HydrophobicContact CG1-CG2 3.49Å; V119-T158 VanDerWaalsContact CG1-CG2 3.49Å; V155-T158 VanDerWaalsContact O-CB 3.27Å; V155-T158 WeakPolarHBondContact O-CB 3.43Å; V155-T158 WeakPolarHBondContact O-CG2 3.44Å; V155-T158 PolarHBondContact O-N 3.05Å; V155-T158 PolarHBondContact O-OG1 3.34Å; T158-L204 HydrophobicContact CG2-CB 4.39Å; T158-L204 HydrophobicContact CG2-CD2 3.7Å
159	W	98.4	Very high	93.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.148	C	C	.	.			trans	-65.6	136.8	-166.5	-68.3	9.9	0	0	0	114	F88 L114 I115 P152 V154 M156 P157 F172 D182 F185 F186	F88-W159 HydrophobicContact CB-CB 4.29Å; F88-W159 HydrophobicContact CD2-CB 3.73Å; F88-W159 HydrophobicContact CG-CB 4.33Å; F88-W159 PolarHBondContact N-O 3.3Å; L114-W159 HydrophobicContact CD1-CB 3.98Å; L114-W159 HydrophobicContact CD1-CD2 3.87Å; L114-W159 HydrophobicContact CD1-CE3 3.84Å; L114-W159 HydrophobicContact CD1-CG 3.95Å; L114-W159 HydrophobicContact CD2-CD2 3.75Å; L114-W159 HydrophobicContact CD2-CE3 3.87Å; L114-W159 HydrophobicContact CD2-CG 4.36Å; L114-W159 HydrophobicContact CD2-CH2 4.01Å; L114-W159 HydrophobicContact CD2-CZ2 3.89Å; L114-W159 HydrophobicContact CD2-CZ3 4.01Å; L114-W159 HydrophobicContact CG-CD2 4.12Å; L114-W159 HydrophobicContact CG-CE3 4.38Å; L114-W159 HydrophobicContact CG-CG 4.26Å; I115-W159 CarbonylContact O-C 3.52Å; I115-W159 WeakPolarHBondContact O-CA 3.5Å; P152-W159 HydrophobicContact CB-CZ2 4.4Å; P152-W159 HydrophobicContact CG-CZ2 4.18Å; V154-W159 PolarHBondContact O-NE1 3.33Å; M156-W159 HydrophobicContact CE-CD2 3.59Å; M156-W159 HydrophobicContact CE-CE3 3.23Å; M156-W159 HydrophobicContact CE-CG 4.26Å; M156-W159 HydrophobicContact CE-CH2 4.07Å; M156-W159 HydrophobicContact CE-CZ2 4.36Å; M156-W159 HydrophobicContact CE-CZ3 3.5Å; M156-W159 VanDerWaalsContact CE-CZ3 3.5Å; M156-W159 HydrophobicContact SD-CD2 4.29Å; M156-W159 HydrophobicContact SD-CE3 4.4Å; M156-W159 HydrophobicContact SD-CG 4.38Å; P157-W159 PolarHBondContact O-N 3.07Å; W159-F172 HydrophobicContact CE3-CZ 4.46Å; W159-F172 AromaticContact CZ3-CE1 3.85Å; W159-F172 HydrophobicContact CZ3-CE1 3.85Å; W159-F172 HydrophobicContact CZ3-CZ 4.19Å; W159-D182 HydrophobicContact CH2-CB 4.26Å; W159-D182 VanDerWaalsContact CH2-O 3.3Å; W159-D182 WeakPolarHBondContact CH2-O 3.17Å; W159-D182 HydrophobicContact CZ2-CB 4.48Å; W159-F185 HydrophobicContact CE3-CD1 4.33Å; W159-F185 HydrophobicContact CE3-CE1 4.42Å; W159-F185 HydrophobicContact CH2-CB 4.27Å; W159-F185 AromaticContact CH2-CD1 3.64Å; W159-F185 HydrophobicContact CH2-CD1 3.64Å; W159-F185 HydrophobicContact CH2-CE1 4.42Å; W159-F185 HydrophobicContact CH2-CG 4.28Å; W159-F185 HydrophobicContact CZ3-CB 4.26Å; W159-F185 AromaticContact CZ3-CD1 3.27Å; W159-F185 HydrophobicContact CZ3-CD1 3.27Å; W159-F185 AromaticContact CZ3-CE1 3.75Å; W159-F185 HydrophobicContact CZ3-CE1 3.75Å; W159-F185 AromaticContact CZ3-CG 3.89Å; W159-F185 HydrophobicContact CZ3-CG 3.89Å; W159-F186 HydrophobicContact CH2-CB 4.05Å; W159-F186 HydrophobicContact CH2-CD2 4.49Å; W159-F186 HydrophobicContact CZ2-CB 4.11Å; W159-F186 HydrophobicContact CZ2-CD2 4.03Å; W159-F186 HydrophobicContact CZ2-CG 4.46Å
160	F	98.8	Very high	94.6	Very high	7 Å²	7	28.6 Å²	28.6	3%	0.031	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	130.6	170.9	-168.2	-76.1	0	0	0	108.9	Y85 L86 C87 V100 Q103 Y104 S107 I115	Y85-F160 AromaticContact CD1-CE1 3.67Å; Y85-F160 HydrophobicContact CD1-CE1 3.67Å; Y85-F160 HydrophobicContact CD1-CZ 4.33Å; Y85-F160 AromaticContact CG-CE1 3.96Å; Y85-F160 HydrophobicContact CG-CE1 3.96Å; Y85-F160 HydrophobicContact CG-CZ 4.16Å; L86-F160 CarbonylContact O-C 3.52Å; L86-F160 VanDerWaalsContact O-CA 3.27Å; L86-F160 WeakPolarHBondContact O-CA 3.44Å; C87-F160 HydrophobicContact CB-CD2 3.67Å; C87-F160 HydrophobicContact CB-CE2 3.94Å; V100-F160 HydrophobicContact CG1-CE2 4.49Å; Q103-F160 HydrophobicContact CB-CB 3.71Å; Q103-F160 HydrophobicContact CB-CD1 4.18Å; Q103-F160 HydrophobicContact CB-CD2 3.75Å; Q103-F160 HydrophobicContact CB-CE2 4.43Å; Q103-F160 HydrophobicContact CB-CG 3.62Å; Q103-F160 HydrophobicContact CG-CB 4.28Å; Y104-F160 HydrophobicContact CD2-CZ 4.17Å; S107-F160 WeakPolarHBondContact OG-CE1 3.24Å; I115-F160 HydrophobicContact CB-CB 4.43Å; I115-F160 WeakPolarHBondContact CB-O 3.38Å; I115-F160 PolarHBondContact N-O 3.3Å; I115-F160 PolarHBondContact O-N 2.84Å
161	C	98.4	Very high	95.6	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.007	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	166.2	178.3	62.9	0	0	0	0	112.9	Y85 L86 L114 L165	Y85-C161 CarbonylContact C-O 3.49Å; Y85-C161 WeakPolarHBondContact CA-O 3.16Å; L86-C161 PolarHBondContact N-O 3.22Å; L86-C161 PolarHBondContact O-N 3.49Å; L114-C161 HydrophobicContact CD1-CB 3.95Å; C161-L165 HydrophobicContact CB-CD2 4.01Å
162	S	98.2	Very high	96.9	Very high	13 Å²	13	31 Å²	31	9%	0.091	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	142.1	168.2	70.7	0	0	0	0	110.2	P111 K164 L165 F166	P111-S162 PolarHBondContact O-OG 3.45Å; P111-S162 VanDerWaalsContact O-OG 3.06Å; S162-K164 PolarHBondContact O-N 2.96Å; S162-L165 WeakPolarHBondContact O-CB 3.29Å; S162-L165 PolarHBondContact O-N 3.1Å; S162-L165 WeakPolarHBondContact OG-CB 3.47Å; S162-L165 PolarHBondContact OG-N 3.11Å; S162-L165 VanDerWaalsContact OG-N 3.11Å; S162-F166 PolarHBondContact O-N 2.91Å; S162-F166 VanDerWaalsContact O-N 3.08Å
163	R	98.1	Very high	97.2	Very high	51 Å²	51	34.3 Å²	34.3	19%	0.192	17%	0.17	C	C	.	.	H	α-helix	trans	-54.8	-37.6	172.8	-179.9	-179.4	-62.3	-83.7	-5.1	111.1	V78 S81 G83 R84 L86 L165 F166 M167	V78-R163 PolarHBondContact O-NH1 3.25Å; S81-R163 PolarHBondContact O-NH1 2.99Å; S81-R163 PolarHBondContact O-NH2 3.43Å; S81-R163 PolarHBondContact OG-NH2 2.92Å; G83-R163 VanDerWaalsContact O-CZ 3.3Å; G83-R163 PolarHBondContact O-NE 2.85Å; G83-R163 PolarHBondContact O-NH2 2.83Å; R84-R163 WeakPolarHBondContact O-CB 3.45Å; R84-R163 PolarHBondContact O-N 3.12Å; L86-R163 HydrophobicContact CG-CB 4.39Å; R163-L165 VanDerWaalsContact C-N 3.33Å; R163-L165 PolarHBondContact O-N 3.08Å; R163-F166 PolarHBondContact O-N 3Å; R163-M167 HydrophobicContact CG-CG 4.19Å; R163-M167 VanDerWaalsContact O-CG 3.31Å; R163-M167 WeakPolarHBondContact O-CG 3.3Å; R163-M167 PolarHBondContact O-N 3.2Å
164	K	97.9	Very high	97.3	Very high	170 Å²	170	38.4 Å²	38.4	74%	0.739	19%	0.189	S	C	*	.	H	α-helix	trans	-57.7	-44	175.6	-176.2	-179.8	177.8	-179.3	0	112	S162 K168	S162-K164 PolarHBondContact O-N 2.96Å; K164-K168 WeakPolarHBondContact O-CB 3.36Å; K164-K168 PolarHBondContact O-N 3.16Å
165	L	97.9	Very high	97.3	Very high	10 Å²	10	41.2 Å²	41.2	5%	0.052	22%	0.218	C	C	.	.	H	α-helix	trans	-63.9	-48.6	175.6	177.3	63.5	0	0	0	110.8	S113 C161 S162 R163 M167 K168 V169 F189	S113-L165 VanDerWaalsContact O-CD2 3.3Å; S113-L165 WeakPolarHBondContact O-CD2 3.26Å; C161-L165 HydrophobicContact CB-CD2 4.01Å; S162-L165 WeakPolarHBondContact O-CB 3.29Å; S162-L165 PolarHBondContact O-N 3.1Å; S162-L165 WeakPolarHBondContact OG-CB 3.47Å; S162-L165 PolarHBondContact OG-N 3.11Å; S162-L165 VanDerWaalsContact OG-N 3.11Å; R163-L165 VanDerWaalsContact C-N 3.33Å; R163-L165 PolarHBondContact O-N 3.08Å; L165-M167 VanDerWaalsContact C-N 3.34Å; L165-M167 PolarHBondContact O-N 3.26Å; L165-K168 WeakPolarHBondContact O-CB 3.35Å; L165-K168 PolarHBondContact O-N 2.77Å; L165-V169 HydrophobicContact CD1-CG2 4.18Å; L165-V169 HydrophobicContact CG-CG2 4.45Å; L165-V169 WeakPolarHBondContact O-CG2 3.36Å; L165-V169 PolarHBondContact O-N 2.95Å; L165-F189 HydrophobicContact CD1-CD2 4.22Å; L165-F189 HydrophobicContact CD1-CE2 4.03Å; L165-F189 HydrophobicContact CD2-CE2 3.95Å; L165-F189 HydrophobicContact CG-CE2 4.44Å
166	F	98.2	Very high	97.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-54.3	-49.9	178.5	-178.9	-92.9	0	0	0	111.8	V78 L86 F88 S162 R163 K168 V169 G170 L171 F172 F185	V78-F166 HydrophobicContact CB-CE1 4.28Å; V78-F166 HydrophobicContact CG1-CD1 3.92Å; V78-F166 HydrophobicContact CG1-CE1 3.66Å; V78-F166 HydrophobicContact CG1-CZ 4.36Å; V78-F166 HydrophobicContact CG2-CE1 4.33Å; V78-F166 HydrophobicContact CG2-CZ 4.21Å; L86-F166 HydrophobicContact CD1-CB 3.6Å; L86-F166 HydrophobicContact CD1-CD1 3.94Å; L86-F166 HydrophobicContact CD1-CD2 4.05Å; L86-F166 HydrophobicContact CD1-CG 3.58Å; F88-F166 HydrophobicContact CE1-CE2 4.5Å; F88-F166 HydrophobicContact CE2-CD2 4.47Å; F88-F166 AromaticContact CZ-CD2 3.88Å; F88-F166 HydrophobicContact CZ-CD2 3.88Å; F88-F166 AromaticContact CZ-CE2 3.8Å; F88-F166 HydrophobicContact CZ-CE2 3.8Å; S162-F166 PolarHBondContact O-N 2.91Å; S162-F166 VanDerWaalsContact O-N 3.08Å; R163-F166 PolarHBondContact O-N 3Å; F166-K168 VanDerWaalsContact C-N 3.28Å; F166-K168 PolarHBondContact O-N 3.42Å; F166-V169 PolarHBondContact O-N 2.92Å; F166-G170 PolarHBondContact O-N 3.21Å; F166-L171 HydrophobicContact CE1-CD2 3.69Å; F166-L171 HydrophobicContact CZ-CD2 4.23Å; F166-F172 AromaticContact CE2-CD2 4Å; F166-F172 HydrophobicContact CE2-CD2 4Å; F166-F172 AromaticContact CE2-CE2 3.43Å; F166-F172 HydrophobicContact CE2-CE2 3.43Å; F166-F172 VanDerWaalsContact CE2-CE2 3.43Å; F166-F172 AromaticContact CE2-CZ 3.85Å; F166-F172 HydrophobicContact CE2-CZ 3.85Å; F166-F172 AromaticContact CZ-CD2 3.99Å; F166-F172 HydrophobicContact CZ-CD2 3.99Å; F166-F172 AromaticContact CZ-CE2 3.82Å; F166-F172 HydrophobicContact CZ-CE2 3.82Å; F166-F185 AromaticContact CD2-CE2 3.47Å; F166-F185 HydrophobicContact CD2-CE2 3.47Å; F166-F185 VanDerWaalsContact CD2-CE2 3.47Å; F166-F185 AromaticContact CD2-CZ 3.63Å; F166-F185 HydrophobicContact CD2-CZ 3.63Å; F166-F185 HydrophobicContact CE2-CD2 4.18Å; F166-F185 AromaticContact CE2-CE2 3.44Å; F166-F185 HydrophobicContact CE2-CE2 3.44Å; F166-F185 VanDerWaalsContact CE2-CE2 3.44Å; F166-F185 HydrophobicContact CE2-CZ 4.04Å; F166-F185 HydrophobicContact CG-CE2 4.34Å; F166-F185 HydrophobicContact CG-CZ 4.47Å; F166-F185 HydrophobicContact CZ-CE2 4.31Å
167	M	97.7	Very high	97	Very high	115 Å²	115	50.3 Å²	50.3	57%	0.567	26%	0.262	S	S	*	.	H	α-helix	trans	-64.8	-29.8	178.2	-64.1	-53.4	-62.6	0	0	113.3	R163 L165	R163-M167 HydrophobicContact CG-CG 4.19Å; R163-M167 VanDerWaalsContact O-CG 3.31Å; R163-M167 WeakPolarHBondContact O-CG 3.3Å; R163-M167 PolarHBondContact O-N 3.2Å; L165-M167 VanDerWaalsContact C-N 3.34Å; L165-M167 PolarHBondContact O-N 3.26Å
168	K	97.9	Very high	96.8	Very high	130 Å²	130	51.2 Å²	51.2	57%	0.565	27%	0.271	S	S	*	.	H	α-helix	trans	-69.3	-43.1	174.7	-176.1	-169.5	169.8	-171.5	0	111.4	K164 L165 F166 Q192	K164-K168 WeakPolarHBondContact O-CB 3.36Å; K164-K168 PolarHBondContact O-N 3.16Å; L165-K168 WeakPolarHBondContact O-CB 3.35Å; L165-K168 PolarHBondContact O-N 2.77Å; F166-K168 VanDerWaalsContact C-N 3.28Å; F166-K168 PolarHBondContact O-N 3.42Å; K168-Q192 PolarHBondContact O-NE2 2.92Å; K168-Q192 PolarHBondContact O-OE1 3.41Å; K168-Q192 VanDerWaalsContact O-OE1 3.12Å
169	V	98.1	Very high	96.6	Very high	6 Å²	6	52.8 Å²	52.8	4%	0.036	28%	0.28	C	S	.	.	H	α-helix	trans	-65.5	-48.8	179.1	177.1	0	0	0	0	110.4	L165 F166 F185 Q188 F189 Q192	L165-V169 HydrophobicContact CD1-CG2 4.18Å; L165-V169 HydrophobicContact CG-CG2 4.45Å; L165-V169 WeakPolarHBondContact O-CG2 3.36Å; L165-V169 PolarHBondContact O-N 2.95Å; F166-V169 PolarHBondContact O-N 2.92Å; V169-F185 HydrophobicContact CB-CE1 4.18Å; V169-F185 HydrophobicContact CB-CE2 3.93Å; V169-F185 HydrophobicContact CB-CZ 3.65Å; V169-F185 HydrophobicContact CG1-CD1 4.04Å; V169-F185 HydrophobicContact CG1-CD2 3.97Å; V169-F185 HydrophobicContact CG1-CE1 3.77Å; V169-F185 HydrophobicContact CG1-CE2 3.71Å; V169-F185 HydrophobicContact CG1-CG 4.13Å; V169-F185 HydrophobicContact CG1-CZ 3.6Å; V169-F185 HydrophobicContact CG2-CE1 4.32Å; V169-F185 HydrophobicContact CG2-CZ 4.08Å; V169-Q188 HydrophobicContact CG1-CB 4.07Å; V169-Q188 HydrophobicContact CG1-CG 3.9Å; V169-Q188 WeakPolarHBondContact O-CG 3.48Å; V169-F189 HydrophobicContact CG1-CB 3.96Å; V169-F189 HydrophobicContact CG2-CB 3.9Å; V169-F189 HydrophobicContact CG2-CD2 3.79Å; V169-F189 HydrophobicContact CG2-CG 4.34Å; V169-Q192 PolarHBondContact O-NE2 3.08Å; V169-Q192 VanDerWaalsContact O-NE2 3.17Å
170	G	97.3	Very high	96.5	Very high	27 Å²	27	53.2 Å²	53.2	28%	0.278	28%	0.283	S	S	.	.			trans	127	173.3	-175.7	0	0	0	0	0	111.5	F166 F185	F166-G170 PolarHBondContact O-N 3.21Å; G170-F185 WeakPolarHBondContact O-CE2 3.26Å
171	L	97.9	Very high	96.4	Very high	94 Å²	94	53.9 Å²	53.9	49%	0.492	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-74.1	162.9	174.9	-61.7	-175	0	0	0	111.2	F166	F166-L171 HydrophobicContact CE1-CD2 3.69Å; F166-L171 HydrophobicContact CZ-CD2 4.23Å
172	F	98.3	Very high	96.3	Very high	5 Å²	5	55.3 Å²	55.3	2%	0.022	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-63.7	151.1	167.1	-65.6	-72.3	0	0	0	110.5	K74 N75 F88 M156 W159 F166 E174 E181 F185	K74-F172 HydrophobicContact CB-CD2 3.64Å; K74-F172 HydrophobicContact CB-CE2 3.79Å; K74-F172 HydrophobicContact CD-CD2 4.31Å; K74-F172 HydrophobicContact CD-CE2 4.09Å; K74-F172 HydrophobicContact CD-CZ 4.31Å; K74-F172 HydrophobicContact CG-CE2 4.46Å; N75-F172 PolarHBondContact ND2-O 3.07Å; N75-F172 WeakPolarHBondContact OD1-CD2 3.24Å; N75-F172 PolarHBondContact OD1-N 3.16Å; F88-F172 HydrophobicContact CD1-CE2 4.38Å; F88-F172 HydrophobicContact CD1-CZ 4.39Å; F88-F172 AromaticContact CE1-CE2 3.54Å; F88-F172 HydrophobicContact CE1-CE2 3.54Å; F88-F172 AromaticContact CE1-CZ 3.8Å; F88-F172 HydrophobicContact CE1-CZ 3.8Å; F88-F172 AromaticContact CZ-CE2 3.92Å; F88-F172 HydrophobicContact CZ-CE2 3.92Å; F88-F172 AromaticContact CZ-CZ 3.99Å; F88-F172 HydrophobicContact CZ-CZ 3.99Å; M156-F172 HydrophobicContact CE-CE1 3.71Å; M156-F172 HydrophobicContact CE-CZ 3.65Å; W159-F172 HydrophobicContact CE3-CZ 4.46Å; W159-F172 AromaticContact CZ3-CE1 3.85Å; W159-F172 HydrophobicContact CZ3-CE1 3.85Å; W159-F172 HydrophobicContact CZ3-CZ 4.19Å; F166-F172 AromaticContact CE2-CD2 4Å; F166-F172 HydrophobicContact CE2-CD2 4Å; F166-F172 AromaticContact CE2-CE2 3.43Å; F166-F172 HydrophobicContact CE2-CE2 3.43Å; F166-F172 VanDerWaalsContact CE2-CE2 3.43Å; F166-F172 AromaticContact CE2-CZ 3.85Å; F166-F172 HydrophobicContact CE2-CZ 3.85Å; F166-F172 AromaticContact CZ-CD2 3.99Å; F166-F172 HydrophobicContact CZ-CD2 3.99Å; F166-F172 AromaticContact CZ-CE2 3.82Å; F166-F172 HydrophobicContact CZ-CE2 3.82Å; F172-E174 PolarHBondContact O-N 3.32Å; F172-E181 HydrophobicContact CB-CB 4.14Å; F172-E181 HydrophobicContact CB-CG 4.05Å; F172-E181 HydrophobicContact CD1-CB 4.36Å; F172-E181 HydrophobicContact CD1-CG 3.82Å; F172-E181 HydrophobicContact CG-CG 4.12Å; F172-F185 HydrophobicContact CD1-CB 3.79Å; F172-F185 HydrophobicContact CD1-CD2 4Å; F172-F185 HydrophobicContact CD1-CG 4.13Å; F172-F185 HydrophobicContact CE1-CB 3.83Å; F172-F185 AromaticContact CE1-CD2 3.9Å; F172-F185 HydrophobicContact CE1-CD2 3.9Å; F172-F185 AromaticContact CE1-CG 3.85Å; F172-F185 HydrophobicContact CE1-CG 3.85Å; F172-F185 HydrophobicContact CZ-CD2 4.38Å
173	D	97.9	Very high	96.2	Very high	76 Å²	76	54.9 Å²	54.9	41%	0.406	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-65.6	132	171.9	-166.7	-70.3	0	0	0	110.2	G175 V179 L184	D173-G175 WeakPolarHBondContact OD1-CA 3.37Å; D173-G175 PolarHBondContact OD1-N 3.43Å; D173-V179 HydrophobicContact CB-CG1 3.9Å; D173-L184 HydrophobicContact CB-CD1 3.76Å
174	E	97.4	Very high	96.2	Very high	86 Å²	86	54.7 Å²	54.7	40%	0.402	29%	0.293	S	S	.	.			trans	-103.7	18.1	-176.8	-57.6	-168.8	166.9	0	0	112.8	F72 N75 F172 G176	F72-E174 HydrophobicContact CB-CB 4.32Å; F72-E174 HydrophobicContact CB-CG 4.24Å; F72-E174 WeakPolarHBondContact CD2-OE2 3.47Å; N75-E174 WeakPolarHBondContact CB-OE1 3.49Å; N75-E174 VanDerWaalsContact ND2-CG 3.29Å; N75-E174 WeakPolarHBondContact ND2-CG 3.44Å; N75-E174 PolarHBondContact ND2-OE1 3.46Å; F172-E174 PolarHBondContact O-N 3.32Å; E174-G176 PolarHBondContact O-N 3.42Å
175	G	94.9	Very high	96.2	Very high	58 Å²	58	47 Å²	47	60%	0.598	26%	0.259	S	S	*	.			trans	-66.5	-3.4	-179.1	0	0	0	0	0	115.2	D173	D173-G175 WeakPolarHBondContact OD1-CA 3.37Å; D173-G175 PolarHBondContact OD1-N 3.43Å
176	G	91.7	Very high	96.2	Very high	18 Å²	18	46.5 Å²	46.5	19%	0.186	26%	0.257	C	S	.	.			trans	89	-151.7	169.5	0	0	0	0	0	115	R68 E174 G178 V179	R68-G176 VanDerWaalsContact O-CA 3.26Å; R68-G176 WeakPolarHBondContact O-CA 3.27Å; E174-G176 PolarHBondContact O-N 3.42Å; G176-G178 PolarHBondContact O-N 3.31Å; G176-V179 WeakPolarHBondContact O-CB 3.34Å; G176-V179 PolarHBondContact O-N 2.74Å
177	K	89.1	Confident	96.1	Very high	189 Å²	189	46.6 Å²	46.6	82%	0.822	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	132.6	-174	-173.7	174.9	-178.6	175.8	0	111.3	V179	K177-V179 VanDerWaalsContact C-N 3.35Å
178	G	90.9	Very high	96.2	Very high	19 Å²	19	44.6 Å²	44.6	20%	0.196	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	-0.9	-179.3	0	0	0	0	0	115.3	G176 S216	G176-G178 PolarHBondContact O-N 3.31Å; G178-S216 VanDerWaalsContact CA-O 3.32Å; G178-S216 WeakPolarHBondContact CA-O 3.34Å; G178-S216 PolarHBondContact N-OG 2.76Å
179	V	94.4	Very high	96.2	Very high	34 Å²	34	38.5 Å²	38.5	21%	0.206	22%	0.22	C	C	.	.			trans	-86.3	125.3	169	178.2	0	0	0	0	109.5	D173 G176 K177 E181 L184	D173-V179 HydrophobicContact CB-CG1 3.9Å; G176-V179 WeakPolarHBondContact O-CB 3.34Å; G176-V179 PolarHBondContact O-N 2.74Å; K177-V179 VanDerWaalsContact C-N 3.35Å; V179-E181 VanDerWaalsContact C-N 3.33Å; V179-E181 PolarHBondContact O-N 2.87Å; V179-E181 VanDerWaalsContact O-N 3.12Å; V179-L184 HydrophobicContact CG1-CD1 3.74Å
180	P	95.4	Very high	96.1	Very high	8 Å²	8	38.2 Å²	38.2	5%	0.052	22%	0.218	C	C	.	.			trans	-83.1	77.9	172.2	32.9	-31.8	0	0	0	109.9	D182 L183 L184 V217 T221 I222 L225	P180-D182 VanDerWaalsContact C-N 3.25Å; P180-D182 PolarHBondContact O-N 3.18Å; P180-L183 HydrophobicContact CB-CB 4.08Å; P180-L183 PolarHBondContact O-N 3.48Å; P180-L184 WeakPolarHBondContact O-CG 3.34Å; P180-L184 PolarHBondContact O-N 3.04Å; P180-L184 VanDerWaalsContact O-N 3.11Å; P180-V217 HydrophobicContact CB-CG1 3.98Å; P180-V217 HydrophobicContact CB-CG2 4.2Å; P180-V217 HydrophobicContact CG-CG1 4Å; P180-T221 HydrophobicContact CG-CG2 4.28Å; P180-I222 HydrophobicContact CB-CD1 3.86Å; P180-I222 HydrophobicContact CG-CD1 3.97Å; P180-L225 HydrophobicContact CG-CD1 3.45Å; P180-L225 VanDerWaalsContact CG-CD1 3.45Å
181	E	96.4	Very high	96	Very high	21 Å²	21	41.9 Å²	41.9	10%	0.098	22%	0.224	C	C	.	.	H	α-helix	trans	-62.6	-34.4	-170.2	82.9	-71.7	175.2	0	0	112.8	V70 K74 F172 V179 F185	V70-E181 WeakPolarHBondContact CG1-OE1 3.12Å; K74-E181 IonicContact NZ-OE1 3.95Å; K74-E181 PolarHBondContact NZ-OE1 3.48Å; F172-E181 HydrophobicContact CB-CB 4.14Å; F172-E181 HydrophobicContact CB-CG 4.05Å; F172-E181 HydrophobicContact CD1-CB 4.36Å; F172-E181 HydrophobicContact CD1-CG 3.82Å; F172-E181 HydrophobicContact CG-CG 4.12Å; V179-E181 VanDerWaalsContact C-N 3.33Å; V179-E181 PolarHBondContact O-N 2.87Å; V179-E181 VanDerWaalsContact O-N 3.12Å; E181-F185 WeakPolarHBondContact O-CB 3.45Å; E181-F185 PolarHBondContact O-N 2.76Å
182	D	96.1	Very high	95.9	Very high	32 Å²	32	40.5 Å²	40.5	17%	0.171	22%	0.215	C	C	.	.	H	α-helix	trans	-70.3	-43.8	179.9	63.4	-20.1	0	0	0	111.4	M156 W159 P180 L184 F185 F186	M156-D182 HydrophobicContact CB-CB 3.94Å; M156-D182 WeakPolarHBondContact CB-OD2 3.43Å; M156-D182 HydrophobicContact CE-CB 4.03Å; M156-D182 HydrophobicContact CG-CB 4.26Å; W159-D182 HydrophobicContact CH2-CB 4.26Å; W159-D182 VanDerWaalsContact CH2-O 3.3Å; W159-D182 WeakPolarHBondContact CH2-O 3.17Å; W159-D182 HydrophobicContact CZ2-CB 4.48Å; P180-D182 VanDerWaalsContact C-N 3.25Å; P180-D182 PolarHBondContact O-N 3.18Å; D182-L184 PolarHBondContact O-N 3.27Å; D182-F185 PolarHBondContact O-N 3.29Å; D182-F186 VanDerWaalsContact O-CB 3.28Å; D182-F186 WeakPolarHBondContact O-CB 3.47Å; D182-F186 PolarHBondContact O-N 3.41Å
183	L	96.8	Very high	95.7	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-63.3	-42.3	175.5	-175.2	61.5	0	0	0	111.4	P152 P180 F186 Y187 I222 L225	P152-L183 HydrophobicContact CB-CD1 4.48Å; P180-L183 HydrophobicContact CB-CB 4.08Å; P180-L183 PolarHBondContact O-N 3.48Å; L183-F186 PolarHBondContact O-N 2.88Å; L183-Y187 HydrophobicContact CD1-CD1 4.1Å; L183-Y187 HydrophobicContact CD1-CE1 3.56Å; L183-Y187 HydrophobicContact CD1-CE2 4.26Å; L183-Y187 HydrophobicContact CD2-CE2 4.4Å; L183-Y187 HydrophobicContact CG-CD2 4.49Å; L183-Y187 HydrophobicContact CG-CE1 4.26Å; L183-Y187 HydrophobicContact CG-CE2 4.11Å; L183-Y187 PolarHBondContact O-N 3.32Å; L183-I222 HydrophobicContact CD2-CD1 3.76Å; L183-L225 HydrophobicContact CD2-CD1 4.3Å
184	L	97.3	Very high	95.5	Very high	46 Å²	46	40 Å²	40	24%	0.241	23%	0.229	C	C	.	.	H	α-helix	trans	-62.4	-46.6	176.9	-70	174.1	0	0	0	111.6	D173 V179 P180 D182 F186 Y187 Q188 L225	D173-L184 HydrophobicContact CB-CD1 3.76Å; V179-L184 HydrophobicContact CG1-CD1 3.74Å; P180-L184 WeakPolarHBondContact O-CG 3.34Å; P180-L184 PolarHBondContact O-N 3.04Å; P180-L184 VanDerWaalsContact O-N 3.11Å; D182-L184 PolarHBondContact O-N 3.27Å; L184-F186 VanDerWaalsContact C-N 3.32Å; L184-F186 PolarHBondContact O-N 3.42Å; L184-Y187 PolarHBondContact O-N 2.97Å; L184-Q188 PolarHBondContact O-N 3.15Å; L184-L225 HydrophobicContact CD2-CD1 3.92Å; L184-L225 HydrophobicContact CD2-CD2 3.61Å; L184-L225 HydrophobicContact CD2-CG 4.42Å; L184-L225 HydrophobicContact CG-CD1 4.4Å
185	F	98.1	Very high	95.3	Very high	8 Å²	8	38.7 Å²	38.7	4%	0.035	23%	0.23	C	C	.	.	H	α-helix	trans	-59.2	-45.6	173.6	-178.3	-75.2	0	0	0	110.9	L114 W159 F166 V169 G170 F172 E181 D182 Y187 Q188 F189	L114-F185 HydrophobicContact CD2-CE1 4.42Å; W159-F185 HydrophobicContact CE3-CD1 4.33Å; W159-F185 HydrophobicContact CE3-CE1 4.42Å; W159-F185 HydrophobicContact CH2-CB 4.27Å; W159-F185 AromaticContact CH2-CD1 3.64Å; W159-F185 HydrophobicContact CH2-CD1 3.64Å; W159-F185 HydrophobicContact CH2-CE1 4.42Å; W159-F185 HydrophobicContact CH2-CG 4.28Å; W159-F185 HydrophobicContact CZ3-CB 4.26Å; W159-F185 AromaticContact CZ3-CD1 3.27Å; W159-F185 HydrophobicContact CZ3-CD1 3.27Å; W159-F185 AromaticContact CZ3-CE1 3.75Å; W159-F185 HydrophobicContact CZ3-CE1 3.75Å; W159-F185 AromaticContact CZ3-CG 3.89Å; W159-F185 HydrophobicContact CZ3-CG 3.89Å; F166-F185 AromaticContact CD2-CE2 3.47Å; F166-F185 HydrophobicContact CD2-CE2 3.47Å; F166-F185 VanDerWaalsContact CD2-CE2 3.47Å; F166-F185 AromaticContact CD2-CZ 3.63Å; F166-F185 HydrophobicContact CD2-CZ 3.63Å; F166-F185 HydrophobicContact CE2-CD2 4.18Å; F166-F185 AromaticContact CE2-CE2 3.44Å; F166-F185 HydrophobicContact CE2-CE2 3.44Å; F166-F185 VanDerWaalsContact CE2-CE2 3.44Å; F166-F185 HydrophobicContact CE2-CZ 4.04Å; F166-F185 HydrophobicContact CG-CE2 4.34Å; F166-F185 HydrophobicContact CG-CZ 4.47Å; F166-F185 HydrophobicContact CZ-CE2 4.31Å; V169-F185 HydrophobicContact CB-CE1 4.18Å; V169-F185 HydrophobicContact CB-CE2 3.93Å; V169-F185 HydrophobicContact CB-CZ 3.65Å; V169-F185 HydrophobicContact CG1-CD1 4.04Å; V169-F185 HydrophobicContact CG1-CD2 3.97Å; V169-F185 HydrophobicContact CG1-CE1 3.77Å; V169-F185 HydrophobicContact CG1-CE2 3.71Å; V169-F185 HydrophobicContact CG1-CG 4.13Å; V169-F185 HydrophobicContact CG1-CZ 3.6Å; V169-F185 HydrophobicContact CG2-CE1 4.32Å; V169-F185 HydrophobicContact CG2-CZ 4.08Å; G170-F185 WeakPolarHBondContact O-CE2 3.26Å; F172-F185 HydrophobicContact CD1-CB 3.79Å; F172-F185 HydrophobicContact CD1-CD2 4Å; F172-F185 HydrophobicContact CD1-CG 4.13Å; F172-F185 HydrophobicContact CE1-CB 3.83Å; F172-F185 AromaticContact CE1-CD2 3.9Å; F172-F185 HydrophobicContact CE1-CD2 3.9Å; F172-F185 AromaticContact CE1-CG 3.85Å; F172-F185 HydrophobicContact CE1-CG 3.85Å; F172-F185 HydrophobicContact CZ-CD2 4.38Å; E181-F185 WeakPolarHBondContact O-CB 3.45Å; E181-F185 PolarHBondContact O-N 2.76Å; D182-F185 PolarHBondContact O-N 3.29Å; F185-Y187 PolarHBondContact O-N 3.33Å; F185-Q188 PolarHBondContact O-N 2.94Å; F185-F189 HydrophobicContact CE1-CB 4.37Å; F185-F189 WeakPolarHBondContact O-CB 3.4Å; F185-F189 PolarHBondContact O-N 3.23Å
186	F	97.9	Very high	95.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61.8	-43.5	-178.5	-170.9	-108	0	0	0	111.8	L114 A146 P152 T153 V154 W159 D182 L183 L184 F189 L190 P196	L114-F186 HydrophobicContact CD2-CD2 3.91Å; L114-F186 HydrophobicContact CD2-CE2 4.28Å; A146-F186 HydrophobicContact CB-CE1 4.39Å; P152-F186 HydrophobicContact CB-CB 3.88Å; P152-F186 HydrophobicContact CB-CD1 3.66Å; P152-F186 HydrophobicContact CB-CD2 4.07Å; P152-F186 HydrophobicContact CB-CE1 4.19Å; P152-F186 HydrophobicContact CB-CG 3.59Å; T153-F186 WeakPolarHBondContact OG1-CE1 3.3Å; T153-F186 WeakPolarHBondContact OG1-CZ 3.36Å; V154-F186 HydrophobicContact CB-CE2 4.25Å; V154-F186 HydrophobicContact CG2-CE2 4.45Å; W159-F186 HydrophobicContact CH2-CB 4.05Å; W159-F186 HydrophobicContact CH2-CD2 4.49Å; W159-F186 HydrophobicContact CZ2-CB 4.11Å; W159-F186 HydrophobicContact CZ2-CD2 4.03Å; W159-F186 HydrophobicContact CZ2-CG 4.46Å; D182-F186 VanDerWaalsContact O-CB 3.28Å; D182-F186 WeakPolarHBondContact O-CB 3.47Å; D182-F186 PolarHBondContact O-N 3.41Å; L183-F186 PolarHBondContact O-N 2.88Å; L184-F186 VanDerWaalsContact C-N 3.32Å; L184-F186 PolarHBondContact O-N 3.42Å; F186-F189 HydrophobicContact CD2-CD1 4.34Å; F186-F189 HydrophobicContact CE2-CD1 4.33Å; F186-F189 WeakPolarHBondContact O-CB 3.41Å; F186-F189 PolarHBondContact O-N 3.19Å; F186-L190 HydrophobicContact CD1-CD1 3.94Å; F186-L190 HydrophobicContact CD1-CG 4.34Å; F186-L190 HydrophobicContact CE1-CD1 3.55Å; F186-L190 HydrophobicContact CE1-CG 4.09Å; F186-L190 HydrophobicContact CZ-CD1 4.15Å; F186-L190 HydrophobicContact CZ-CD2 4.36Å; F186-L190 HydrophobicContact CZ-CG 4.32Å; F186-L190 WeakPolarHBondContact O-CG 3.29Å; F186-L190 PolarHBondContact O-N 3.4Å; F186-P196 HydrophobicContact CE2-CB 4.03Å; F186-P196 HydrophobicContact CZ-CB 4.1Å; F186-P196 HydrophobicContact CZ-CG 4.27Å
187	Y	97.6	Very high	95.6	Very high	3 Å²	3	35.9 Å²	35.9	1%	0.012	20%	0.197	C	C	.	.	H	α-helix	trans	-63	-42.2	174	-73.5	-5.3	0	0	0	112.2	A146 L183 L184 F185 F189 L190 R191 L225 R226 F229	A146-Y187 PolarHBondContact O-OH 3.06Å; L183-Y187 HydrophobicContact CD1-CD1 4.1Å; L183-Y187 HydrophobicContact CD1-CE1 3.56Å; L183-Y187 HydrophobicContact CD1-CE2 4.26Å; L183-Y187 HydrophobicContact CD2-CE2 4.4Å; L183-Y187 HydrophobicContact CG-CD2 4.49Å; L183-Y187 HydrophobicContact CG-CE1 4.26Å; L183-Y187 HydrophobicContact CG-CE2 4.11Å; L183-Y187 PolarHBondContact O-N 3.32Å; L184-Y187 PolarHBondContact O-N 2.97Å; F185-Y187 PolarHBondContact O-N 3.33Å; Y187-F189 VanDerWaalsContact C-N 3.34Å; Y187-F189 PolarHBondContact O-N 3.16Å; Y187-L190 PolarHBondContact O-N 2.68Å; Y187-R191 WeakPolarHBondContact O-CG 3.28Å; Y187-R191 PolarHBondContact O-N 3.07Å; Y187-L225 HydrophobicContact CE2-CB 4.15Å; Y187-L225 WeakPolarHBondContact CE2-O 3.49Å; Y187-R226 WeakPolarHBondContact OH-CG 3.32Å; Y187-F229 AromaticContact CD1-CD1 3.51Å; Y187-F229 HydrophobicContact CD1-CD1 3.51Å; Y187-F229 HydrophobicContact CD1-CD2 4.28Å; Y187-F229 AromaticContact CD1-CE1 3.52Å; Y187-F229 HydrophobicContact CD1-CE1 3.52Å; Y187-F229 HydrophobicContact CD1-CE2 4.27Å; Y187-F229 AromaticContact CD1-CG 3.93Å; Y187-F229 HydrophobicContact CD1-CG 3.93Å; Y187-F229 AromaticContact CD1-CZ 3.92Å; Y187-F229 HydrophobicContact CD1-CZ 3.92Å; Y187-F229 HydrophobicContact CD2-CB 3.81Å; Y187-F229 HydrophobicContact CD2-CD1 4.14Å; Y187-F229 HydrophobicContact CD2-CD2 4.02Å; Y187-F229 AromaticContact CD2-CG 3.74Å; Y187-F229 HydrophobicContact CD2-CG 3.74Å; Y187-F229 HydrophobicContact CE1-CB 4.45Å; Y187-F229 AromaticContact CE1-CD1 3.36Å; Y187-F229 HydrophobicContact CE1-CD1 3.36Å; Y187-F229 AromaticContact CE1-CE1 3.7Å; Y187-F229 HydrophobicContact CE1-CE1 3.7Å; Y187-F229 AromaticContact CE1-CG 3.98Å; Y187-F229 HydrophobicContact CE1-CG 3.98Å; Y187-F229 HydrophobicContact CE2-CB 3.54Å; Y187-F229 HydrophobicContact CE2-CD1 4.02Å; Y187-F229 AromaticContact CE2-CG 3.8Å; Y187-F229 HydrophobicContact CE2-CG 3.8Å; Y187-F229 HydrophobicContact CG-CB 4.38Å; Y187-F229 AromaticContact CG-CD1 3.9Å; Y187-F229 HydrophobicContact CG-CD1 3.9Å; Y187-F229 AromaticContact CG-CD2 3.88Å; Y187-F229 HydrophobicContact CG-CD2 3.88Å; Y187-F229 HydrophobicContact CG-CE1 4.11Å; Y187-F229 HydrophobicContact CG-CE2 4.07Å; Y187-F229 AromaticContact CG-CG 3.8Å; Y187-F229 HydrophobicContact CG-CG 3.8Å; Y187-F229 HydrophobicContact CG-CZ 4.18Å; Y187-F229 AromaticContact CZ-CD1 3.62Å; Y187-F229 AromaticContact CZ-CG 3.91Å
188	Q	98	Very high	96.1	Very high	73 Å²	73	28.5 Å²	28.5	34%	0.341	16%	0.164	S	C	.	.	H	α-helix	trans	-62.6	-41.8	175.4	-177.6	61	7.1	0	0	112	V169 L184 F185 L190 R191 Q192	V169-Q188 HydrophobicContact CG1-CB 4.07Å; V169-Q188 HydrophobicContact CG1-CG 3.9Å; V169-Q188 WeakPolarHBondContact O-CG 3.48Å; L184-Q188 PolarHBondContact O-N 3.15Å; F185-Q188 PolarHBondContact O-N 2.94Å; Q188-L190 VanDerWaalsContact C-N 3.34Å; Q188-L190 PolarHBondContact O-N 2.96Å; Q188-R191 PolarHBondContact O-N 2.79Å; Q188-Q192 WeakPolarHBondContact O-CG 3.46Å; Q188-Q192 PolarHBondContact O-N 3.22Å
189	F	97.9	Very high	96.4	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.009	16%	0.161	C	C	.	.	H	α-helix	trans	-57.4	-47.5	173.4	164.9	-108.9	0	0	0	111.4	L114 L165 V169 F185 F186 Y187 Q192 G194 P196	L114-F189 HydrophobicContact CB-CD1 4.32Å; L114-F189 HydrophobicContact CB-CE1 3.82Å; L114-F189 HydrophobicContact CB-CE2 4.08Å; L114-F189 HydrophobicContact CB-CZ 3.66Å; L114-F189 HydrophobicContact CD2-CD1 4.29Å; L114-F189 HydrophobicContact CD2-CE1 4.48Å; L165-F189 HydrophobicContact CD1-CD2 4.22Å; L165-F189 HydrophobicContact CD1-CE2 4.03Å; L165-F189 HydrophobicContact CD2-CE2 3.95Å; L165-F189 HydrophobicContact CG-CE2 4.44Å; V169-F189 HydrophobicContact CG1-CB 3.96Å; V169-F189 HydrophobicContact CG2-CB 3.9Å; V169-F189 HydrophobicContact CG2-CD2 3.79Å; V169-F189 HydrophobicContact CG2-CG 4.34Å; F185-F189 HydrophobicContact CE1-CB 4.37Å; F185-F189 WeakPolarHBondContact O-CB 3.4Å; F185-F189 PolarHBondContact O-N 3.23Å; F186-F189 HydrophobicContact CD2-CD1 4.34Å; F186-F189 HydrophobicContact CE2-CD1 4.33Å; F186-F189 WeakPolarHBondContact O-CB 3.41Å; F186-F189 PolarHBondContact O-N 3.19Å; Y187-F189 VanDerWaalsContact C-N 3.34Å; Y187-F189 PolarHBondContact O-N 3.16Å; F189-Q192 PolarHBondContact O-N 2.93Å; F189-G194 VanDerWaalsContact O-CA 3.31Å; F189-G194 WeakPolarHBondContact O-CA 3.42Å; F189-G194 PolarHBondContact O-N 2.97Å; F189-P196 HydrophobicContact CE1-CB 4.21Å
190	L	96.6	Very high	96.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.1	-40.7	177.5	-72.3	-174	0	0	0	112.8	L143 A146 F186 Y187 Q188 Q192 G193 P196 F229 R233	L143-L190 HydrophobicContact CD2-CD2 3.6Å; A146-L190 HydrophobicContact CB-CD1 3.88Å; F186-L190 HydrophobicContact CD1-CD1 3.94Å; F186-L190 HydrophobicContact CD1-CG 4.34Å; F186-L190 HydrophobicContact CE1-CD1 3.55Å; F186-L190 HydrophobicContact CE1-CG 4.09Å; F186-L190 HydrophobicContact CZ-CD1 4.15Å; F186-L190 HydrophobicContact CZ-CD2 4.36Å; F186-L190 HydrophobicContact CZ-CG 4.32Å; F186-L190 WeakPolarHBondContact O-CG 3.29Å; F186-L190 PolarHBondContact O-N 3.4Å; Y187-L190 PolarHBondContact O-N 2.68Å; Q188-L190 VanDerWaalsContact C-N 3.34Å; Q188-L190 PolarHBondContact O-N 2.96Å; L190-Q192 PolarHBondContact O-N 3.34Å; L190-G193 PolarHBondContact O-N 3.34Å; L190-P196 HydrophobicContact CD2-CG 4.26Å; L190-F229 HydrophobicContact CB-CZ 3.82Å; L190-F229 HydrophobicContact CD1-CE1 3.88Å; L190-F229 HydrophobicContact CD1-CZ 3.86Å; L190-R233 PolarHBondContact O-NH1 3.04Å
191	R	96	Very high	96.6	Very high	104 Å²	104	37.5 Å²	37.5	39%	0.392	20%	0.203	S	C	.	.	H	α-helix	trans	-57.1	-35.4	175.3	-75.9	179.1	-178.6	124.3	1.4	112.4	Y187 Q188 G193 F229 E232	Y187-R191 WeakPolarHBondContact O-CG 3.28Å; Y187-R191 PolarHBondContact O-N 3.07Å; Q188-R191 PolarHBondContact O-N 2.79Å; R191-G193 PolarHBondContact O-N 3.24Å; R191-F229 HydrophobicContact CG-CE2 4.06Å; R191-E232 VanDerWaalsContact CD-OE1 3.28Å; R191-E232 WeakPolarHBondContact CD-OE1 3.42Å; R191-E232 WeakPolarHBondContact CG-OE1 3.35Å; R191-E232 IonicContact CZ-OE1 2.82Å; R191-E232 IonicContact CZ-OE2 3.23Å; R191-E232 VanDerWaalsContact CZ-OE2 3.23Å; R191-E232 VanDerWaalsContact NE-CD 3.26Å; R191-E232 IonicContact NE-OE1 2.9Å; R191-E232 PolarHBondContact NE-OE1 3.13Å; R191-E232 IonicContact NE-OE2 3.7Å; R191-E232 PolarHBondContact NE-OE2 2.97Å; R191-E232 IonicContact NH2-OE2 2.7Å; R191-E232 PolarHBondContact NH2-OE2 3.21Å
192	Q	95.9	Very high	96.6	Very high	64 Å²	64	43.2 Å²	43.2	30%	0.299	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	12.7	178.9	-64.1	-177.4	15.7	0	0	114	K168 V169 Q188 F189 L190 G194	K168-Q192 PolarHBondContact O-NE2 2.92Å; K168-Q192 PolarHBondContact O-OE1 3.41Å; K168-Q192 VanDerWaalsContact O-OE1 3.12Å; V169-Q192 PolarHBondContact O-NE2 3.08Å; V169-Q192 VanDerWaalsContact O-NE2 3.17Å; Q188-Q192 WeakPolarHBondContact O-CG 3.46Å; Q188-Q192 PolarHBondContact O-N 3.22Å; F189-Q192 PolarHBondContact O-N 2.93Å; L190-Q192 PolarHBondContact O-N 3.34Å; Q192-G194 VanDerWaalsContact C-N 3.32Å
193	G	93.8	Very high	96.7	Very high	60 Å²	60	41.9 Å²	41.9	62%	0.619	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	76	19.7	-177.1	0	0	0	0	0	113.5	L190 R191	L190-G193 PolarHBondContact O-N 3.34Å; R191-G193 PolarHBondContact O-N 3.24Å
194	G	94.2	Very high	96.8	Very high	11 Å²	11	41.7 Å²	41.7	11%	0.113	22%	0.215	C	C	.	.			trans	-59.9	138.9	176.2	0	0	0	0	0	112.5	F189 Q192	F189-G194 VanDerWaalsContact O-CA 3.31Å; F189-G194 WeakPolarHBondContact O-CA 3.42Å; F189-G194 PolarHBondContact O-N 2.97Å; Q192-G194 VanDerWaalsContact C-N 3.32Å
195	S	91.8	Very high	96.9	Very high	59 Å²	59	40.5 Å²	40.5	41%	0.413	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	104.7	176.7	-66.4	0	0	0	0	110.3	S113	S113-S195 WeakPolarHBondContact CA-O 3.42Å; S113-S195 WeakPolarHBondContact CB-O 3.25Å; S113-S195 PolarHBondContact OG-O 3.4Å
196	P	96.9	Very high	96.8	Very high	4 Å²	4	41.8 Å²	41.8	3%	0.026	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	146.2	175.7	28.3	-32.1	0	0	0	110.3	L142 L143 V154 F186 F189 L190	L142-P196 HydrophobicContact CB-CB 4.26Å; L142-P196 HydrophobicContact CB-CG 3.79Å; L142-P196 HydrophobicContact CD1-CB 4.47Å; L143-P196 VanDerWaalsContact CD2-CD 3.48Å; L143-P196 HydrophobicContact CD2-CG 3.86Å; L143-P196 HydrophobicContact CG-CG 4.2Å; V154-P196 HydrophobicContact CG2-CB 3.62Å; F186-P196 HydrophobicContact CE2-CB 4.03Å; F186-P196 HydrophobicContact CZ-CB 4.1Å; F186-P196 HydrophobicContact CZ-CG 4.27Å; F189-P196 HydrophobicContact CE1-CB 4.21Å; L190-P196 HydrophobicContact CD2-CG 4.26Å
197	L	97.4	Very high	96.8	Very high	13 Å²	13	43.8 Å²	43.8	7%	0.068	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	149.3	172.8	-67.8	178.5	0	0	0	109.3	H110 S113 L114 I115 G116 R139	H110-L197 HydrophobicContact CB-CD1 3.51Å; H110-L197 VanDerWaalsContact CD2-CD1 3.48Å; H110-L197 WeakPolarHBondContact CD2-CD1 3.43Å; H110-L197 VanDerWaalsContact CG-CD1 3.43Å; S113-L197 WeakPolarHBondContact OG-CD1 3.49Å; L114-L197 PolarHBondContact O-N 3.09Å; I115-L197 CarbonylContact C-O 3.52Å; I115-L197 WeakPolarHBondContact CA-O 3Å; I115-L197 HydrophobicContact CG1-CB 4.1Å; I115-L197 HydrophobicContact CG1-CD1 4.38Å; G116-L197 PolarHBondContact N-O 3.35Å; R139-L197 VanDerWaalsContact CZ-CD2 3.48Å
198	R	97.6	Very high	96.7	Very high	34 Å²	34	48 Å²	48	13%	0.128	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	130.4	175.1	-173.4	-179.9	66.1	93.4	-2.6	108.5	I134 N135 L137 L142 D200	I134-R198 WeakPolarHBondContact O-CD 3.41Å; I134-R198 PolarHBondContact O-NE 3.1Å; N135-R198 VanDerWaalsContact O-CZ 3.27Å; N135-R198 PolarHBondContact O-NH1 3.21Å; N135-R198 PolarHBondContact O-NH2 3.36Å; L137-R198 PolarHBondContact O-NH2 3.19Å; L142-R198 HydrophobicContact CD1-CB 3.91Å; L142-R198 HydrophobicContact CD2-CB 4.37Å; R198-D200 IonicContact NH2-OD1 2.85Å
199	L	98	Very high	96.5	Very high	26 Å²	26	45.9 Å²	45.9	14%	0.136	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	135.1	166.4	-64.2	-178.7	0	0	0	109.6	L102 Q103 T106 I115 G116 C117 G118 Q201 L203	L102-L199 HydrophobicContact CB-CD1 3.88Å; Q103-L199 HydrophobicContact CG-CD1 3.84Å; T106-L199 HydrophobicContact CG2-CD2 4.21Å; T106-L199 WeakPolarHBondContact OG1-CD2 3.44Å; I115-L199 HydrophobicContact CG2-CG 4.43Å; G116-L199 PolarHBondContact O-N 3.11Å; C117-L199 CarbonylContact C-O 3.52Å; C117-L199 WeakPolarHBondContact CA-O 3.5Å; C117-L199 HydrophobicContact CB-CB 4.26Å; G118-L199 PolarHBondContact N-O 3.34Å; L199-Q201 PolarHBondContact O-N 2.91Å; L199-L203 HydrophobicContact CB-CD1 4.47Å; L199-L203 HydrophobicContact CD1-CD1 3.83Å
200	D	95.7	Very high	96.3	Very high	129 Å²	129	54.1 Å²	54.1	69%	0.69	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	-25.5	179.1	-68.4	-33.7	0	0	0	112.1	R198 R202	R198-D200 IonicContact NH2-OD1 2.85Å; D200-R202 PolarHBondContact O-N 3.42Å
201	Q	97.8	Very high	96	Very high	95 Å²	95	58 Å²	58	44%	0.444	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	135.1	174.5	-64	88	-23.3	0	0	110.3	G118 L199 L203	G118-Q201 PolarHBondContact N-O 3.32Å; L199-Q201 PolarHBondContact O-N 2.91Å; Q201-L203 HydrophobicContact CB-CD1 4.08Å; Q201-L203 HydrophobicContact CB-CD2 3.92Å; Q201-L203 HydrophobicContact CB-CG 3.78Å; Q201-L203 PolarHBondContact O-N 2.61Å
202	R	97.7	Very high	95.7	Very high	141 Å²	141	54 Å²	54	53%	0.532	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	108.6	170	-58.1	-179.7	-175.6	170.6	-1.2	108.3	L96 G118 Q120 D200	L96-R202 WeakPolarHBondContact CD1-O 3.4Å; G118-R202 CarbonylContact O-C 3.58Å; G118-R202 VanDerWaalsContact O-CA 3.25Å; G118-R202 WeakPolarHBondContact O-CA 3.31Å; Q120-R202 HydrophobicContact CG-CB 3.88Å; Q120-R202 HydrophobicContact CG-CG 4.42Å; D200-R202 PolarHBondContact O-N 3.42Å
203	L	98.6	Very high	95.3	Very high	4 Å²	4	53.5 Å²	53.5	2%	0.021	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	5.9	-172.2	-59.3	169.6	0	0	0	113	L96 Q98 R99 L102 C117 G118 L199 Q201	L96-L203 PolarHBondContact N-O 3.38Å; Q98-L203 HydrophobicContact CB-CD2 4.2Å; R99-L203 HydrophobicContact CB-CB 3.95Å; R99-L203 WeakPolarHBondContact CD-O 3.39Å; R99-L203 HydrophobicContact CG-CB 3.97Å; L102-L203 HydrophobicContact CB-CD1 4.18Å; L102-L203 HydrophobicContact CD1-CD1 3.99Å; L102-L203 HydrophobicContact CD1-CD2 3.94Å; C117-L203 HydrophobicContact CB-CB 3.86Å; C117-L203 HydrophobicContact CB-CD1 3.92Å; C117-L203 HydrophobicContact CB-CG 4.15Å; G118-L203 PolarHBondContact O-N 3.15Å; L199-L203 HydrophobicContact CB-CD1 4.47Å; L199-L203 HydrophobicContact CD1-CD1 3.83Å; Q201-L203 HydrophobicContact CB-CD1 4.08Å; Q201-L203 HydrophobicContact CB-CD2 3.92Å; Q201-L203 HydrophobicContact CB-CG 3.78Å; Q201-L203 PolarHBondContact O-N 2.61Å
204	L	98.5	Very high	95	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	133.2	177.3	-172.9	71.5	0	0	0	109.6	D93 M95 V119 Q120 P157 T158	D93-L204 HydrophobicContact CB-CD1 4.15Å; M95-L204 HydrophobicContact CB-CD1 4.45Å; V119-L204 CarbonylContact C-O 3.47Å; V119-L204 VanDerWaalsContact CA-O 3.24Å; V119-L204 WeakPolarHBondContact CA-O 3.35Å; V119-L204 HydrophobicContact CG1-CB 4.25Å; V119-L204 HydrophobicContact CG1-CD2 4.33Å; Q120-L204 PolarHBondContact N-O 3.44Å; P157-L204 HydrophobicContact CG-CD2 3.83Å; T158-L204 HydrophobicContact CG2-CB 4.39Å; T158-L204 HydrophobicContact CG2-CD2 3.7Å
205	V	98.4	Very high	94.8	Very high	20 Å²	20	59.3 Å²	59.3	12%	0.121	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	111.5	161.1	-174.7	0	0	0	0	106.9	I94 L96 Q120 L122	I94-V205 HydrophobicContact CB-CB 4Å; I94-V205 HydrophobicContact CB-CG2 4.32Å; I94-V205 PolarHBondContact N-O 2.94Å; I94-V205 VanDerWaalsContact N-O 3.09Å; I94-V205 PolarHBondContact O-N 3.02Å; L96-V205 HydrophobicContact CD2-CG2 3.95Å; Q120-V205 CarbonylContact O-C 3.54Å; Q120-V205 WeakPolarHBondContact O-CA 3.41Å; L122-V205 HydrophobicContact CB-CG1 3.56Å; L122-V205 HydrophobicContact CD2-CG1 3.87Å; L122-V205 HydrophobicContact CG-CG1 4.34Å
206	Y	97.3	Very high	94.7	Very high	36 Å²	36	58.4 Å²	58.4	14%	0.141	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	104.4	-177.2	-176.4	-157.7	0	0	0	110.1	D93 V119 Q120 R121 L122 Y130 V155	D93-Y206 WeakPolarHBondContact OD1-CA 3.44Å; D93-Y206 WeakPolarHBondContact OD1-CD2 2.94Å; D93-Y206 VanDerWaalsContact OD2-CD2 3.31Å; D93-Y206 WeakPolarHBondContact OD2-CD2 3.4Å; V119-Y206 HydrophobicContact CG2-CD1 4.37Å; Q120-Y206 PolarHBondContact O-N 2.64Å; R121-Y206 VanDerWaalsContact NH1-CD1 3.28Å; R121-Y206 PolarHBondContact NH1-O 3.06Å; L122-Y206 PolarHBondContact N-O 3.06Å; Y130-Y206 HydrophobicContact CE1-CE1 4.19Å; V155-Y206 HydrophobicContact CG1-CE1 4.03Å
207	R	97	Very high	94.5	Very high	41 Å²	41	59.6 Å²	59.6	16%	0.155	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	145.8	-174.8	-165.8	175.1	-61.2	-94.3	0.2	111.3	E12 D92 D93 R121 L122	E12-R207 IonicContact OE2-CZ 2.9Å; E12-R207 IonicContact OE2-NH2 3.73Å; E12-R207 PolarHBondContact OE2-NH2 3.38Å; D92-R207 VanDerWaalsContact O-CB 3.32Å; D92-R207 WeakPolarHBondContact O-CB 3.47Å; D92-R207 WeakPolarHBondContact O-CD 3.44Å; D92-R207 PolarHBondContact O-NE 2.8Å; D93-R207 PolarHBondContact OD1-N 3.32Å; R121-R207 PolarHBondContact NH1-O 2.97Å; L122-R207 VanDerWaalsContact CD2-NH1 3.31Å; L122-R207 VanDerWaalsContact CD2-NH2 3.35Å; L122-R207 CarbonylContact O-C 3.59Å; L122-R207 WeakPolarHBondContact O-CA 3.36Å
208	Y	95.4	Very high	94.3	Very high	91 Å²	91	62.6 Å²	62.6	36%	0.357	33%	0.329	S	S	.	.			trans	-115.1	128.3	169.7	-179.1	-103.5	0	0	0	109.5	R121 L122 T127 H215	R121-Y208 VanDerWaalsContact NH2-CD2 3.27Å; L122-Y208 PolarHBondContact O-N 2.83Å; T127-Y208 HydrophobicContact CG2-CD2 4.16Å; T127-Y208 HydrophobicContact CG2-CE2 4.07Å; Y208-H215 AromaticContact CE2-CE1 3.98Å; Y208-H215 AromaticContact CE2-NE2 3.78Å
209	H	94.3	Very high	94.1	Very high	29 Å²	29	69.2 Å²	69.2	13%	0.134	36%	0.362	C	S	.	.			trans	-156	155.8	171.6	58.8	91.4	0	0	0	109.9	W9 D92 A211 A212	W9-H209 AromaticContact CH2-CE1 3.38Å; W9-H209 WeakPolarHBondContact CH2-CE1 3.44Å; W9-H209 AromaticContact CH2-ND1 3.58Å; W9-H209 AromaticContact CH2-NE2 3.82Å; W9-H209 HydrophobicContact CZ2-CB 4.43Å; W9-H209 AromaticContact CZ2-CD2 3.88Å; W9-H209 AromaticContact CZ2-CE1 3.79Å; W9-H209 AromaticContact CZ2-CG 3.76Å; W9-H209 AromaticContact CZ2-ND1 3.71Å; W9-H209 AromaticContact CZ2-NE2 3.91Å; W9-H209 AromaticContact CZ3-CE1 3.99Å; D92-H209 IonicContact OD2-CE1 2.66Å; D92-H209 IonicContact OD2-NE2 3.05Å; D92-H209 PolarHBondContact OD2-NE2 3.1Å; D92-H209 VanDerWaalsContact OD2-NE2 3.07Å; H209-A211 PolarHBondContact ND1-N 2.83Å; H209-A211 PolarHBondContact O-N 2.68Å; H209-A212 PolarHBondContact CE1-N 3.03Å; H209-A212 VanDerWaalsContact CE1-N 3.31Å; H209-A212 PolarHBondContact ND1-N 3.18Å; H209-A212 VanDerWaalsContact O-CB 3.28Å; H209-A212 WeakPolarHBondContact O-CB 3.43Å; H209-A212 PolarHBondContact O-N 3.2Å; H209-A212 VanDerWaalsContact O-N 3.12Å
210	E	92.6	Very high	93.9	Very high	176 Å²	176	73.4 Å²	73.4	82%	0.822	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-23	-173.9	-60.6	-176.6	164	0	0	113.6	A212 H215	E210-A212 VanDerWaalsContact C-N 3.26Å; E210-A212 PolarHBondContact O-N 2.94Å; E210-H215 PolarHBondContact O-CD2 3.31Å
211	A	90.8	Very high	93.8	Very high	82 Å²	82	69.7 Å²	69.7	68%	0.678	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	0.4	176.9	0	0	0	0	0	114.1	H209	H209-A211 PolarHBondContact ND1-N 2.83Å; H209-A211 PolarHBondContact O-N 2.68Å
212	A	90.8	Very high	93.7	Very high	19 Å²	19	66.8 Å²	66.8	16%	0.157	35%	0.35	C	S	.	.			trans	-61.2	138.3	-177.3	0	0	0	0	0	112	H209 E210 T214 H215	H209-A212 PolarHBondContact CE1-N 3.03Å; H209-A212 VanDerWaalsContact CE1-N 3.31Å; H209-A212 PolarHBondContact ND1-N 3.18Å; H209-A212 VanDerWaalsContact O-CB 3.28Å; H209-A212 WeakPolarHBondContact O-CB 3.43Å; H209-A212 PolarHBondContact O-N 3.2Å; H209-A212 VanDerWaalsContact O-N 3.12Å; E210-A212 VanDerWaalsContact C-N 3.26Å; E210-A212 PolarHBondContact O-N 2.94Å; A212-T214 PolarHBondContact O-N 3Å; A212-T214 VanDerWaalsContact O-N 3.1Å; A212-H215 PolarHBondContact O-N 3.38Å
213	A	87.9	Confident	93.6	Very high	54 Å²	54	60.9 Å²	60.9	45%	0.446	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-58.2	-29.7	-175.8	0	0	0	0	0	113.3	V70 H215 S216	V70-A213 HydrophobicContact CG2-CB 3.78Å; A213-H215 PolarHBondContact O-N 2.82Å; A213-S216 WeakPolarHBondContact O-CB 3.41Å; A213-S216 PolarHBondContact O-N 3.45Å; A213-S216 PolarHBondContact O-OG 3.21Å
214	T	86.1	Confident	93.5	Very high	91 Å²	91	67.1 Å²	67.1	56%	0.558	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-54.3	-33.6	176.9	-50.2	0	0	0	0	112.7	A212 S216 V217	A212-T214 PolarHBondContact O-N 3Å; A212-T214 VanDerWaalsContact O-N 3.1Å; T214-S216 PolarHBondContact O-N 3.04Å; T214-S216 VanDerWaalsContact O-N 3.16Å; T214-V217 PolarHBondContact O-N 3.4Å; T214-V217 VanDerWaalsContact O-N 3.15Å
215	H	89.9	Confident	93.4	Very high	102 Å²	102	68.8 Å²	68.8	47%	0.472	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-68.4	-12.6	179.1	-65.4	-56.8	0	0	0	113.7	Y208 E210 A212 A213	Y208-H215 AromaticContact CE2-CE1 3.98Å; Y208-H215 AromaticContact CE2-NE2 3.78Å; E210-H215 PolarHBondContact O-CD2 3.31Å; A212-H215 PolarHBondContact O-N 3.38Å; A213-H215 PolarHBondContact O-N 2.82Å
216	S	90.2	Very high	93.4	Very high	39 Å²	39	68.3 Å²	68.3	27%	0.273	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-81	-17.1	174.5	73.4	0	0	0	0	113.8	G178 A213 T214	G178-S216 VanDerWaalsContact CA-O 3.32Å; G178-S216 WeakPolarHBondContact CA-O 3.34Å; G178-S216 PolarHBondContact N-OG 2.76Å; A213-S216 WeakPolarHBondContact O-CB 3.41Å; A213-S216 PolarHBondContact O-N 3.45Å; A213-S216 PolarHBondContact O-OG 3.21Å; T214-S216 PolarHBondContact O-N 3.04Å; T214-S216 VanDerWaalsContact O-N 3.16Å
217	V	92.2	Very high	93.4	Very high	29 Å²	29	66.7 Å²	66.7	18%	0.176	35%	0.353	C	S	.	.	S	Bend	trans	-85.6	126.7	-179.2	-171.9	0	0	0	0	109.7	P180 T214 T221 I222	P180-V217 HydrophobicContact CB-CG1 3.98Å; P180-V217 HydrophobicContact CB-CG2 4.2Å; P180-V217 HydrophobicContact CG-CG1 4Å; T214-V217 PolarHBondContact O-N 3.4Å; T214-V217 VanDerWaalsContact O-N 3.15Å; V217-T221 HydrophobicContact CG1-CG2 4.3Å; V217-I222 HydrophobicContact CG1-CD1 3.73Å; V217-I222 HydrophobicContact CG1-CG1 3.78Å
218	T	93.6	Very high	93.4	Very high	76 Å²	76	68.1 Å²	68.1	47%	0.466	36%	0.364	S	S	.	.			trans	-76.9	147.1	-178.6	81	0	0	0	0	112.1	E220 T221 I222	T218-E220 PolarHBondContact O-N 3.31Å; T218-T221 WeakPolarHBondContact O-CB 3.13Å; T218-T221 PolarHBondContact O-N 2.82Å; T218-T221 VanDerWaalsContact O-N 3.13Å; T218-T221 PolarHBondContact OG1-N 2.9Å; T218-T221 PolarHBondContact OG1-OG1 3.42Å; T218-I222 PolarHBondContact O-N 3.27Å; T218-I222 VanDerWaalsContact O-N 3.13Å
219	E	92.5	Very high	93.5	Very high	174 Å²	174	63.8 Å²	63.8	81%	0.813	35%	0.347	S	S	*	.	H	α-helix	trans	-57	-33.4	172.8	-67.6	-172.6	172.6	0	0	112.3	I222 W223	E219-I222 PolarHBondContact O-N 3.2Å; E219-W223 WeakPolarHBondContact O-CB 3.42Å; E219-W223 PolarHBondContact O-N 3.16Å
220	E	94.3	Very high	93.7	Very high	114 Å²	114	62.4 Å²	62.4	53%	0.533	34%	0.34	S	S	.	.	H	α-helix	trans	-70.4	-37.4	179.2	-167.4	67.9	-174.5	0	0	111.5	T218 W223 K224 K252	T218-E220 PolarHBondContact O-N 3.31Å; E220-W223 PolarHBondContact O-N 3.47Å; E220-K224 WeakPolarHBondContact O-CB 3.45Å; E220-K224 PolarHBondContact O-N 3.11Å; E220-K252 IonicContact OE2-NZ 3.77Å; E220-K252 PolarHBondContact OE2-NZ 3.2Å
221	T	94.8	Very high	93.9	Very high	50 Å²	50	55.1 Å²	55.1	31%	0.307	31%	0.306	S	S	.	.	H	α-helix	trans	-59.6	-52.3	171.5	-57.7	0	0	0	0	110.3	P180 V217 T218 W223 K224 L225	P180-T221 HydrophobicContact CG-CG2 4.28Å; V217-T221 HydrophobicContact CG1-CG2 4.3Å; T218-T221 WeakPolarHBondContact O-CB 3.13Å; T218-T221 PolarHBondContact O-N 2.82Å; T218-T221 VanDerWaalsContact O-N 3.13Å; T218-T221 PolarHBondContact OG1-N 2.9Å; T218-T221 PolarHBondContact OG1-OG1 3.42Å; T221-W223 VanDerWaalsContact C-N 3.33Å; T221-W223 PolarHBondContact O-N 3.39Å; T221-K224 PolarHBondContact O-N 3.31Å; T221-L225 HydrophobicContact CG2-CD1 4.22Å; T221-L225 WeakPolarHBondContact O-CG 3.3Å; T221-L225 PolarHBondContact O-N 2.92Å; T221-L225 VanDerWaalsContact O-N 3.07Å
222	I	95.3	Very high	94.2	Very high	35 Å²	35	55.2 Å²	55.2	18%	0.179	29%	0.293	C	S	.	.	H	α-helix	trans	-61.2	-43.2	178.7	-64.2	-62	0	0	0	111	P180 L183 V217 T218 E219 L225 R226	P180-I222 HydrophobicContact CB-CD1 3.86Å; P180-I222 HydrophobicContact CG-CD1 3.97Å; L183-I222 HydrophobicContact CD2-CD1 3.76Å; V217-I222 HydrophobicContact CG1-CD1 3.73Å; V217-I222 HydrophobicContact CG1-CG1 3.78Å; T218-I222 PolarHBondContact O-N 3.27Å; T218-I222 VanDerWaalsContact O-N 3.13Å; E219-I222 PolarHBondContact O-N 3.2Å; I222-L225 PolarHBondContact O-N 2.83Å; I222-R226 HydrophobicContact CG2-CG 4.25Å; I222-R226 WeakPolarHBondContact O-CB 3.44Å; I222-R226 WeakPolarHBondContact O-CD 3.36Å; I222-R226 WeakPolarHBondContact O-CG 3.41Å; I222-R226 PolarHBondContact O-N 2.97Å
223	W	96.1	Very high	94.4	Very high	17 Å²	17	57 Å²	57	6%	0.064	30%	0.295	C	S	.	.	H	α-helix	trans	-57.2	-51.9	177.2	179.3	-91.7	0	0	0	111.5	E219 E220 T221 L225 R226 V227 K252 L253 S256 F337	E219-W223 WeakPolarHBondContact O-CB 3.42Å; E219-W223 PolarHBondContact O-N 3.16Å; E220-W223 PolarHBondContact O-N 3.47Å; T221-W223 VanDerWaalsContact C-N 3.33Å; T221-W223 PolarHBondContact O-N 3.39Å; W223-L225 PolarHBondContact O-N 3Å; W223-R226 PolarHBondContact O-N 3.29Å; W223-V227 HydrophobicContact CD2-CG2 4.4Å; W223-V227 HydrophobicContact CG-CG2 4.47Å; W223-V227 HydrophobicContact CZ2-CG2 4.34Å; W223-V227 WeakPolarHBondContact O-CG2 3.31Å; W223-V227 PolarHBondContact O-N 3.44Å; W223-K252 HydrophobicContact CD2-CD 4.04Å; W223-K252 HydrophobicContact CE3-CD 4.23Å; W223-K252 HydrophobicContact CH2-CB 3.89Å; W223-K252 HydrophobicContact CH2-CD 3.72Å; W223-K252 HydrophobicContact CH2-CG 3.89Å; W223-K252 HydrophobicContact CZ2-CB 3.77Å; W223-K252 HydrophobicContact CZ2-CD 3.52Å; W223-K252 HydrophobicContact CZ2-CG 3.41Å; W223-K252 VanDerWaalsContact CZ2-CG 3.41Å; W223-K252 HydrophobicContact CZ3-CD 4.08Å; W223-L253 HydrophobicContact CH2-CB 4.41Å; W223-L253 HydrophobicContact CZ2-CB 4.3Å; W223-S256 PolarHBondContact NE1-OG 3.48Å; W223-F337 HydrophobicContact CE3-CE1 4.12Å; W223-F337 HydrophobicContact CE3-CZ 4.42Å; W223-F337 HydrophobicContact CH2-CD1 4.38Å; W223-F337 AromaticContact CH2-CE1 3.54Å; W223-F337 HydrophobicContact CH2-CE1 3.54Å; W223-F337 HydrophobicContact CH2-CZ 4.43Å; W223-F337 AromaticContact CZ2-CE1 3.95Å; W223-F337 HydrophobicContact CZ2-CE1 3.95Å; W223-F337 AromaticContact CZ3-CE1 3.63Å; W223-F337 HydrophobicContact CZ3-CE1 3.63Å; W223-F337 HydrophobicContact CZ3-CZ 4.36Å
224	K	96.4	Very high	94.8	Very high	134 Å²	134	54.7 Å²	54.7	58%	0.583	28%	0.275	S	S	*	.	H	α-helix	trans	-58	-49.6	179.5	-177.2	179.7	176.5	-174.6	0	111.3	E220 T221 R226 V227 D228	E220-K224 WeakPolarHBondContact O-CB 3.45Å; E220-K224 PolarHBondContact O-N 3.11Å; T221-K224 PolarHBondContact O-N 3.31Å; K224-R226 VanDerWaalsContact C-N 3.32Å; K224-R226 PolarHBondContact O-N 2.85Å; K224-V227 PolarHBondContact O-N 2.76Å; K224-D228 WeakPolarHBondContact O-CB 3.31Å; K224-D228 VanDerWaalsContact O-CG 3.28Å; K224-D228 PolarHBondContact O-N 3.49Å
225	L	96.8	Very high	95.4	Very high	36 Å²	36	50.3 Å²	50.3	19%	0.188	25%	0.249	C	C	.	.	H	α-helix	trans	-58.6	-43.2	179.4	-69.2	175.6	0	0	0	112.2	P180 L183 L184 Y187 T221 I222 W223 F229	P180-L225 HydrophobicContact CG-CD1 3.45Å; P180-L225 VanDerWaalsContact CG-CD1 3.45Å; L183-L225 HydrophobicContact CD2-CD1 4.3Å; L184-L225 HydrophobicContact CD2-CD1 3.92Å; L184-L225 HydrophobicContact CD2-CD2 3.61Å; L184-L225 HydrophobicContact CD2-CG 4.42Å; L184-L225 HydrophobicContact CG-CD1 4.4Å; Y187-L225 HydrophobicContact CE2-CB 4.15Å; Y187-L225 WeakPolarHBondContact CE2-O 3.49Å; T221-L225 HydrophobicContact CG2-CD1 4.22Å; T221-L225 WeakPolarHBondContact O-CG 3.3Å; T221-L225 PolarHBondContact O-N 2.92Å; T221-L225 VanDerWaalsContact O-N 3.07Å; I222-L225 PolarHBondContact O-N 2.83Å; W223-L225 PolarHBondContact O-N 3Å; L225-F229 VanDerWaalsContact O-CB 3.3Å; L225-F229 WeakPolarHBondContact O-CB 3.21Å; L225-F229 PolarHBondContact O-N 2.87Å
226	R	96.7	Very high	95.7	Very high	9 Å²	9	48.8 Å²	48.8	3%	0.034	25%	0.25	C	C	.	.	H	α-helix	trans	-66.4	-43.4	177.5	-69.6	165.7	56.2	-161.9	3.6	112.5	Y147 T148 S149 Y187 I222 W223 K224 F229 L230 F337 N338	Y147-R226 PolarHBondContact O-NE 3.1Å; Y147-R226 PolarHBondContact O-NH2 3.16Å; T148-R226 VanDerWaalsContact C-NE 3.27Å; T148-R226 WeakPolarHBondContact O-CD 3.41Å; T148-R226 PolarHBondContact O-NE 2.86Å; S149-R226 VanDerWaalsContact CA-NH1 3.26Å; S149-R226 VanDerWaalsContact CB-NH1 3.3Å; Y187-R226 WeakPolarHBondContact OH-CG 3.32Å; I222-R226 HydrophobicContact CG2-CG 4.25Å; I222-R226 WeakPolarHBondContact O-CB 3.44Å; I222-R226 WeakPolarHBondContact O-CD 3.36Å; I222-R226 WeakPolarHBondContact O-CG 3.41Å; I222-R226 PolarHBondContact O-N 2.97Å; W223-R226 PolarHBondContact O-N 3.29Å; K224-R226 VanDerWaalsContact C-N 3.32Å; K224-R226 PolarHBondContact O-N 2.85Å; R226-F229 PolarHBondContact O-N 2.95Å; R226-L230 VanDerWaalsContact O-CB 3.26Å; R226-L230 WeakPolarHBondContact O-CB 3.39Å; R226-L230 PolarHBondContact O-N 2.71Å; R226-F337 HydrophobicContact CB-CE2 3.74Å; R226-F337 HydrophobicContact CB-CZ 4.1Å; R226-N338 PolarHBondContact NH1-O 3.17Å; R226-N338 PolarHBondContact NH2-O 2.75Å
227	V	97.8	Very high	96.1	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.012	27%	0.271	C	S	.	.	H	α-helix	trans	-62.5	-47	177.2	172.3	0	0	0	0	110.1	W223 K224 F229 L230 Q231 L253 L257 F337	W223-V227 HydrophobicContact CD2-CG2 4.4Å; W223-V227 HydrophobicContact CG-CG2 4.47Å; W223-V227 HydrophobicContact CZ2-CG2 4.34Å; W223-V227 WeakPolarHBondContact O-CG2 3.31Å; W223-V227 PolarHBondContact O-N 3.44Å; K224-V227 PolarHBondContact O-N 2.76Å; V227-F229 PolarHBondContact O-N 3.12Å; V227-L230 PolarHBondContact O-N 3.22Å; V227-Q231 HydrophobicContact CG1-CG 4.35Å; V227-Q231 WeakPolarHBondContact O-CB 3.28Å; V227-Q231 VanDerWaalsContact O-CG 3.24Å; V227-Q231 WeakPolarHBondContact O-CG 3.42Å; V227-Q231 PolarHBondContact O-N 2.81Å; V227-L253 HydrophobicContact CG2-CD1 3.99Å; V227-L257 HydrophobicContact CG1-CD2 4.48Å; V227-F337 HydrophobicContact CG2-CE1 4.26Å; V227-F337 HydrophobicContact CG2-CE2 4.22Å; V227-F337 HydrophobicContact CG2-CZ 3.51Å
228	D	97.6	Very high	96.3	Very high	72 Å²	72	54.6 Å²	54.6	39%	0.385	27%	0.269	S	S	.	.	H	α-helix	trans	-60.6	-46.1	179.3	-70.2	-17.2	0	0	0	110.8	K224 Q231 E232	K224-D228 WeakPolarHBondContact O-CB 3.31Å; K224-D228 VanDerWaalsContact O-CG 3.28Å; K224-D228 PolarHBondContact O-N 3.49Å; D228-Q231 PolarHBondContact O-N 3.47Å; D228-E232 WeakPolarHBondContact O-CB 3.33Å; D228-E232 PolarHBondContact O-N 3.13Å
229	F	97.2	Very high	96.5	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-67.7	-38.8	179	-167	-121.7	0	0	0	113.1	A146 Y147 Y187 L190 R191 L225 R226 V227 E232 R233	A146-F229 HydrophobicContact CB-CE1 4.27Å; Y147-F229 AromaticContact CD1-CD1 3.68Å; Y147-F229 HydrophobicContact CD1-CD1 3.68Å; Y147-F229 HydrophobicContact CD1-CE1 4.36Å; Y147-F229 HydrophobicContact CD1-CG 4.49Å; Y147-F229 AromaticContact CE1-CD1 3.28Å; Y147-F229 HydrophobicContact CE1-CD1 3.28Å; Y147-F229 AromaticContact CE1-CE1 3.66Å; Y147-F229 HydrophobicContact CE1-CE1 3.66Å; Y147-F229 HydrophobicContact CE1-CG 4.09Å; Y187-F229 AromaticContact CD1-CD1 3.51Å; Y187-F229 HydrophobicContact CD1-CD1 3.51Å; Y187-F229 HydrophobicContact CD1-CD2 4.28Å; Y187-F229 AromaticContact CD1-CE1 3.52Å; Y187-F229 HydrophobicContact CD1-CE1 3.52Å; Y187-F229 HydrophobicContact CD1-CE2 4.27Å; Y187-F229 AromaticContact CD1-CG 3.93Å; Y187-F229 HydrophobicContact CD1-CG 3.93Å; Y187-F229 AromaticContact CD1-CZ 3.92Å; Y187-F229 HydrophobicContact CD1-CZ 3.92Å; Y187-F229 HydrophobicContact CD2-CB 3.81Å; Y187-F229 HydrophobicContact CD2-CD1 4.14Å; Y187-F229 HydrophobicContact CD2-CD2 4.02Å; Y187-F229 AromaticContact CD2-CG 3.74Å; Y187-F229 HydrophobicContact CD2-CG 3.74Å; Y187-F229 HydrophobicContact CE1-CB 4.45Å; Y187-F229 AromaticContact CE1-CD1 3.36Å; Y187-F229 HydrophobicContact CE1-CD1 3.36Å; Y187-F229 AromaticContact CE1-CE1 3.7Å; Y187-F229 HydrophobicContact CE1-CE1 3.7Å; Y187-F229 AromaticContact CE1-CG 3.98Å; Y187-F229 HydrophobicContact CE1-CG 3.98Å; Y187-F229 HydrophobicContact CE2-CB 3.54Å; Y187-F229 HydrophobicContact CE2-CD1 4.02Å; Y187-F229 AromaticContact CE2-CG 3.8Å; Y187-F229 HydrophobicContact CE2-CG 3.8Å; Y187-F229 HydrophobicContact CG-CB 4.38Å; Y187-F229 AromaticContact CG-CD1 3.9Å; Y187-F229 HydrophobicContact CG-CD1 3.9Å; Y187-F229 AromaticContact CG-CD2 3.88Å; Y187-F229 HydrophobicContact CG-CD2 3.88Å; Y187-F229 HydrophobicContact CG-CE1 4.11Å; Y187-F229 HydrophobicContact CG-CE2 4.07Å; Y187-F229 AromaticContact CG-CG 3.8Å; Y187-F229 HydrophobicContact CG-CG 3.8Å; Y187-F229 HydrophobicContact CG-CZ 4.18Å; Y187-F229 AromaticContact CZ-CD1 3.62Å; Y187-F229 AromaticContact CZ-CG 3.91Å; L190-F229 HydrophobicContact CB-CZ 3.82Å; L190-F229 HydrophobicContact CD1-CE1 3.88Å; L190-F229 HydrophobicContact CD1-CZ 3.86Å; R191-F229 HydrophobicContact CG-CE2 4.06Å; L225-F229 VanDerWaalsContact O-CB 3.3Å; L225-F229 WeakPolarHBondContact O-CB 3.21Å; L225-F229 PolarHBondContact O-N 2.87Å; R226-F229 PolarHBondContact O-N 2.95Å; V227-F229 PolarHBondContact O-N 3.12Å; F229-E232 PolarHBondContact O-N 2.81Å; F229-R233 HydrophobicContact CD2-CG 3.89Å; F229-R233 HydrophobicContact CE1-CG 4.28Å; F229-R233 HydrophobicContact CE2-CG 3.52Å; F229-R233 HydrophobicContact CG-CG 4.42Å; F229-R233 HydrophobicContact CZ-CG 3.74Å; F229-R233 WeakPolarHBondContact O-CB 3.19Å; F229-R233 PolarHBondContact O-N 3.42Å
230	L	97.6	Very high	96.8	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.3	-45.2	173.6	179.9	73.7	0	0	0	111.1	Y147 R226 V227 V234 L235 L253 I307 F337	Y147-L230 HydrophobicContact CD1-CB 3.84Å; Y147-L230 HydrophobicContact CD1-CD1 3.97Å; Y147-L230 HydrophobicContact CD2-CD1 4.05Å; Y147-L230 HydrophobicContact CE1-CB 4.38Å; Y147-L230 HydrophobicContact CE1-CD1 4.38Å; Y147-L230 HydrophobicContact CE2-CD1 4.46Å; Y147-L230 HydrophobicContact CG-CB 4.35Å; Y147-L230 HydrophobicContact CG-CD1 3.8Å; R226-L230 VanDerWaalsContact O-CB 3.26Å; R226-L230 WeakPolarHBondContact O-CB 3.39Å; R226-L230 PolarHBondContact O-N 2.71Å; V227-L230 PolarHBondContact O-N 3.22Å; L230-V234 HydrophobicContact CD1-CB 3.9Å; L230-V234 HydrophobicContact CD1-CG1 4.41Å; L230-V234 HydrophobicContact CD1-CG2 3.86Å; L230-V234 WeakPolarHBondContact O-CA 3.4Å; L230-V234 WeakPolarHBondContact O-CB 3.29Å; L230-V234 PolarHBondContact O-N 2.81Å; L230-L235 HydrophobicContact CD2-CD1 4.24Å; L230-L235 HydrophobicContact CG-CD1 4.35Å; L230-L235 HydrophobicContact CG-CG 4.22Å; L230-L235 PolarHBondContact O-N 3.46Å; L230-L235 VanDerWaalsContact O-N 3.07Å; L230-L253 HydrophobicContact CD2-CD1 4.28Å; L230-L253 HydrophobicContact CD2-CD2 4.44Å; L230-I307 HydrophobicContact CD1-CD1 3.98Å; L230-I307 HydrophobicContact CD2-CD1 4.25Å; L230-I307 HydrophobicContact CD2-CG1 4.46Å; L230-I307 HydrophobicContact CD2-CG2 4.18Å; L230-F337 HydrophobicContact CB-CD2 4.42Å; L230-F337 HydrophobicContact CB-CE2 4.42Å; L230-F337 HydrophobicContact CD2-CD2 3.67Å; L230-F337 HydrophobicContact CD2-CE2 4.14Å; L230-F337 HydrophobicContact CD2-CG 4.19Å; L230-F337 HydrophobicContact CG-CD2 4.46Å
231	Q	98.1	Very high	97	Very high	22 Å²	22	47.2 Å²	47.2	10%	0.103	23%	0.231	C	C	.	.	I	π-helix	trans	-62.2	-44.5	178.4	-74.3	-173.4	101.7	0	0	112	V227 D228 L235 S236 L257 S258 N261	V227-Q231 HydrophobicContact CG1-CG 4.35Å; V227-Q231 WeakPolarHBondContact O-CB 3.28Å; V227-Q231 VanDerWaalsContact O-CG 3.24Å; V227-Q231 WeakPolarHBondContact O-CG 3.42Å; V227-Q231 PolarHBondContact O-N 2.81Å; D228-Q231 PolarHBondContact O-N 3.47Å; Q231-L235 HydrophobicContact CG-CD1 4.05Å; Q231-S236 PolarHBondContact O-N 3.27Å; Q231-L257 HydrophobicContact CG-CD2 3.79Å; Q231-S258 PolarHBondContact OE1-OG 2.86Å; Q231-N261 WeakPolarHBondContact CG-ND2 3.49Å; Q231-N261 PolarHBondContact OE1-ND2 2.93Å
232	E	96.8	Very high	97.2	Very high	84 Å²	84	44.9 Å²	44.9	39%	0.393	22%	0.216	S	C	.	.	I	π-helix	trans	-64.7	-46.9	180	-177.4	-168.3	151.7	0	0	112.3	R191 D228 F229 S236	R191-E232 VanDerWaalsContact CD-OE1 3.28Å; R191-E232 WeakPolarHBondContact CD-OE1 3.42Å; R191-E232 WeakPolarHBondContact CG-OE1 3.35Å; R191-E232 IonicContact CZ-OE1 2.82Å; R191-E232 IonicContact CZ-OE2 3.23Å; R191-E232 VanDerWaalsContact CZ-OE2 3.23Å; R191-E232 VanDerWaalsContact NE-CD 3.26Å; R191-E232 IonicContact NE-OE1 2.9Å; R191-E232 PolarHBondContact NE-OE1 3.13Å; R191-E232 IonicContact NE-OE2 3.7Å; R191-E232 PolarHBondContact NE-OE2 2.97Å; R191-E232 IonicContact NH2-OE2 2.7Å; R191-E232 PolarHBondContact NH2-OE2 3.21Å; D228-E232 WeakPolarHBondContact O-CB 3.33Å; D228-E232 PolarHBondContact O-N 3.13Å; F229-E232 PolarHBondContact O-N 2.81Å; E232-S236 VanDerWaalsContact O-CB 3.31Å; E232-S236 WeakPolarHBondContact O-CB 3.18Å; E232-S236 PolarHBondContact O-OG 2.86Å
233	R	94.9	Very high	97.3	Very high	58 Å²	58	43.2 Å²	43.2	22%	0.219	21%	0.208	C	C	.	.	I	π-helix	trans	-93.3	-36.9	-168.3	-69.7	-104.7	-71.3	-171.4	-3.7	113.9	Y147 L190 F229 Q237	Y147-R233 HydrophobicContact CE1-CB 4.28Å; Y147-R233 VanDerWaalsContact OH-CB 3.28Å; Y147-R233 WeakPolarHBondContact OH-CB 3.48Å; L190-R233 PolarHBondContact O-NH1 3.04Å; F229-R233 HydrophobicContact CD2-CG 3.89Å; F229-R233 HydrophobicContact CE1-CG 4.28Å; F229-R233 HydrophobicContact CE2-CG 3.52Å; F229-R233 HydrophobicContact CG-CG 4.42Å; F229-R233 HydrophobicContact CZ-CG 3.74Å; F229-R233 WeakPolarHBondContact O-CB 3.19Å; F229-R233 PolarHBondContact O-N 3.42Å; R233-Q237 PolarHBondContact O-NE2 2.78Å
234	V	96.9	Very high	97.4	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.024	21%	0.205	C	C	.	.	I	π-helix	trans	-107	-59.2	-172.2	-176.7	0	0	0	0	110.1	Y147 L230 S236 Q237 W238 I307 Y335	Y147-V234 HydrophobicContact CD2-CG2 4.5Å; Y147-V234 HydrophobicContact CE1-CG2 4.23Å; Y147-V234 HydrophobicContact CE2-CG2 3.67Å; Y147-V234 WeakPolarHBondContact OH-CG2 3.23Å; L230-V234 HydrophobicContact CD1-CB 3.9Å; L230-V234 HydrophobicContact CD1-CG1 4.41Å; L230-V234 HydrophobicContact CD1-CG2 3.86Å; L230-V234 WeakPolarHBondContact O-CA 3.4Å; L230-V234 WeakPolarHBondContact O-CB 3.29Å; L230-V234 PolarHBondContact O-N 2.81Å; V234-S236 PolarHBondContact O-N 2.83Å; V234-Q237 PolarHBondContact O-N 2.82Å; V234-W238 HydrophobicContact CG1-CD2 4.05Å; V234-W238 HydrophobicContact CG1-CE3 4.01Å; V234-W238 HydrophobicContact CG1-CH2 3.53Å; V234-W238 HydrophobicContact CG1-CZ2 3.52Å; V234-W238 HydrophobicContact CG1-CZ3 3.78Å; V234-I307 HydrophobicContact CG1-CD1 4.36Å; V234-Y335 HydrophobicContact CG1-CD2 3.58Å; V234-Y335 HydrophobicContact CG1-CE2 3.76Å; V234-Y335 HydrophobicContact CG1-CG 4.1Å; V234-Y335 HydrophobicContact CG2-CD1 4.01Å; V234-Y335 HydrophobicContact CG2-CD2 4.29Å; V234-Y335 HydrophobicContact CG2-CE1 3.94Å; V234-Y335 HydrophobicContact CG2-CE2 4.24Å; V234-Y335 HydrophobicContact CG2-CG 4.18Å
235	L	98.1	Very high	97.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.183	C	C	.	.	I	π-helix	trans	-71.9	-19.9	-170.9	-51.8	-177.9	0	0	0	113.3	L230 Q231 Q237 W238 F241 L257 N261 K264 I307	L230-L235 HydrophobicContact CD2-CD1 4.24Å; L230-L235 HydrophobicContact CG-CD1 4.35Å; L230-L235 HydrophobicContact CG-CG 4.22Å; L230-L235 PolarHBondContact O-N 3.46Å; L230-L235 VanDerWaalsContact O-N 3.07Å; Q231-L235 HydrophobicContact CG-CD1 4.05Å; L235-Q237 PolarHBondContact O-N 2.79Å; L235-W238 HydrophobicContact CD2-CE3 3.7Å; L235-W238 HydrophobicContact CD2-CZ3 3.98Å; L235-W238 PolarHBondContact O-N 2.95Å; L235-F241 HydrophobicContact CD1-CE1 4.04Å; L235-F241 HydrophobicContact CD1-CE2 4.42Å; L235-F241 HydrophobicContact CD1-CZ 3.72Å; L235-F241 HydrophobicContact CD2-CD1 3.92Å; L235-F241 HydrophobicContact CD2-CD2 4.22Å; L235-F241 HydrophobicContact CD2-CE1 3.78Å; L235-F241 HydrophobicContact CD2-CE2 4.07Å; L235-F241 HydrophobicContact CD2-CG 4.13Å; L235-F241 HydrophobicContact CD2-CZ 3.84Å; L235-F241 HydrophobicContact CG-CE1 4.35Å; L235-F241 HydrophobicContact CG-CZ 4.38Å; L235-L257 HydrophobicContact CD1-CD2 3.58Å; L235-N261 HydrophobicContact CD1-CB 4.46Å; L235-K264 PolarHBondContact O-NZ 2.83Å; L235-I307 HydrophobicContact CD2-CD1 3.91Å; L235-I307 HydrophobicContact CD2-CG1 3.88Å
236	S	97	Very high	97.4	Very high	70 Å²	70	35.6 Å²	35.6	49%	0.49	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-30.8	171.8	63.4	0	0	0	0	112.4	Q231 E232 V234	Q231-S236 PolarHBondContact O-N 3.27Å; E232-S236 VanDerWaalsContact O-CB 3.31Å; E232-S236 WeakPolarHBondContact O-CB 3.18Å; E232-S236 PolarHBondContact O-OG 2.86Å; V234-S236 PolarHBondContact O-N 2.83Å
237	Q	96.5	Very high	97.3	Very high	154 Å²	154	35.8 Å²	35.8	72%	0.72	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	-16	-177.3	-52.3	-172.8	25.9	0	0	113	R233 V234 L235	R233-Q237 PolarHBondContact O-NE2 2.78Å; V234-Q237 PolarHBondContact O-N 2.82Å; L235-Q237 PolarHBondContact O-N 2.79Å
238	W	97.8	Very high	97.2	Very high	35 Å²	35	43.8 Å²	43.8	13%	0.133	21%	0.214	C	C	.	.			trans	-100.1	136.2	-176.7	-63.3	-14.2	0	0	0	111.2	V234 L235 N240 F241 K264 P305 I307 Y335	V234-W238 HydrophobicContact CG1-CD2 4.05Å; V234-W238 HydrophobicContact CG1-CE3 4.01Å; V234-W238 HydrophobicContact CG1-CH2 3.53Å; V234-W238 HydrophobicContact CG1-CZ2 3.52Å; V234-W238 HydrophobicContact CG1-CZ3 3.78Å; L235-W238 HydrophobicContact CD2-CE3 3.7Å; L235-W238 HydrophobicContact CD2-CZ3 3.98Å; L235-W238 PolarHBondContact O-N 2.95Å; W238-N240 VanDerWaalsContact C-N 3.33Å; W238-F241 HydrophobicContact CE3-CB 3.68Å; W238-F241 HydrophobicContact CE3-CG 4.18Å; W238-F241 HydrophobicContact CZ3-CB 4.01Å; W238-K264 WeakPolarHBondContact O-CD 3.41Å; W238-K264 WeakPolarHBondContact O-CE 3.39Å; W238-K264 PolarHBondContact O-NZ 3.05Å; W238-P305 HydrophobicContact CB-CG 4.35Å; W238-P305 HydrophobicContact CD2-CB 3.93Å; W238-P305 HydrophobicContact CD2-CG 3.4Å; W238-P305 HydrophobicContact CE3-CB 4.01Å; W238-P305 HydrophobicContact CE3-CG 3.59Å; W238-P305 HydrophobicContact CG-CG 3.77Å; W238-P305 HydrophobicContact CH2-CB 3.62Å; W238-P305 HydrophobicContact CH2-CG 4.16Å; W238-P305 HydrophobicContact CZ2-CB 3.56Å; W238-P305 HydrophobicContact CZ2-CG 4.03Å; W238-P305 HydrophobicContact CZ3-CB 3.84Å; W238-P305 HydrophobicContact CZ3-CG 3.95Å; W238-I307 HydrophobicContact CH2-CD1 3.89Å; W238-I307 HydrophobicContact CZ3-CD1 3.5Å; W238-I307 VanDerWaalsContact CZ3-CD1 3.5Å; W238-I307 HydrophobicContact CZ3-CG1 3.99Å; W238-Y335 AromaticContact CH2-CD2 3.64Å; W238-Y335 HydrophobicContact CH2-CD2 3.64Å; W238-Y335 HydrophobicContact CH2-CE2 4.24Å; W238-Y335 AromaticContact CZ2-CD2 3.65Å; W238-Y335 HydrophobicContact CZ2-CD2 3.65Å; W238-Y335 AromaticContact CZ2-CE2 3.77Å; W238-Y335 HydrophobicContact CZ2-CE2 3.77Å
239	E	97.8	Very high	97	Very high	171 Å²	171	43.4 Å²	43.4	80%	0.799	21%	0.21	S	C	*	.	S	Bend	trans	-71	-34.6	172.4	-65.6	-175.2	167.8	0	0	111.5	K264	E239-K264 WeakPolarHBondContact O-CG 3.45Å
240	N	98.3	Very high	97	Very high	39 Å²	39	43.4 Å²	43.4	21%	0.209	21%	0.21	C	C	.	.			trans	-160.8	161.2	-176.7	53.9	73.8	0	0	0	110.3	W238 K264 K266 P305	W238-N240 VanDerWaalsContact C-N 3.33Å; N240-K264 CarbonylContact C-O 3.6Å; N240-K264 WeakPolarHBondContact CA-O 3.38Å; N240-K264 WeakPolarHBondContact CB-O 3.15Å; N240-K266 HydrophobicContact CB-CD 3.78Å; N240-K266 HydrophobicContact CB-CG 3.9Å; N240-K266 PolarHBondContact ND2-NZ 3.38Å; N240-K266 VanDerWaalsContact OD1-CD 3.29Å; N240-K266 WeakPolarHBondContact OD1-CD 3.47Å; N240-K266 WeakPolarHBondContact OD1-CE 3.4Å; N240-K266 PolarHBondContact OD1-NZ 3.26Å; N240-P305 WeakPolarHBondContact O-CD 3.29Å
241	F	98.7	Very high	97	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	167.3	178.8	65.9	-81	0	0	0	112.4	L235 W238 I243 L257 K264 V265 K266 P305 I307	L235-F241 HydrophobicContact CD1-CE1 4.04Å; L235-F241 HydrophobicContact CD1-CE2 4.42Å; L235-F241 HydrophobicContact CD1-CZ 3.72Å; L235-F241 HydrophobicContact CD2-CD1 3.92Å; L235-F241 HydrophobicContact CD2-CD2 4.22Å; L235-F241 HydrophobicContact CD2-CE1 3.78Å; L235-F241 HydrophobicContact CD2-CE2 4.07Å; L235-F241 HydrophobicContact CD2-CG 4.13Å; L235-F241 HydrophobicContact CD2-CZ 3.84Å; L235-F241 HydrophobicContact CG-CE1 4.35Å; L235-F241 HydrophobicContact CG-CZ 4.38Å; W238-F241 HydrophobicContact CE3-CB 3.68Å; W238-F241 HydrophobicContact CE3-CG 4.18Å; W238-F241 HydrophobicContact CZ3-CB 4.01Å; F241-I243 HydrophobicContact CD2-CG1 4.19Å; F241-I243 HydrophobicContact CE2-CD1 4.19Å; F241-I243 HydrophobicContact CE2-CG1 3.69Å; F241-L257 HydrophobicContact CZ-CD1 3.75Å; F241-K264 HydrophobicContact CD1-CB 3.94Å; F241-K264 HydrophobicContact CE1-CB 3.8Å; F241-K264 PolarHBondContact N-O 3.46Å; F241-V265 HydrophobicContact CE1-CG2 3.95Å; F241-V265 HydrophobicContact CE2-CG2 3.83Å; F241-V265 HydrophobicContact CZ-CG2 3.47Å; F241-V265 VanDerWaalsContact CZ-CG2 3.47Å; F241-V265 CarbonylContact O-C 3.45Å; F241-V265 WeakPolarHBondContact O-CA 3.13Å; F241-K266 PolarHBondContact O-N 3.29Å; F241-P305 VanDerWaalsContact CA-O 3.31Å; F241-P305 WeakPolarHBondContact CA-O 3.44Å; F241-P305 HydrophobicContact CB-CG 4.24Å; F241-P305 VanDerWaalsContact CB-O 3.32Å; F241-P305 WeakPolarHBondContact CB-O 2.99Å; F241-I307 HydrophobicContact CD2-CB 4.36Å; F241-I307 HydrophobicContact CD2-CG1 3.71Å; F241-I307 HydrophobicContact CE2-CB 4.44Å; F241-I307 HydrophobicContact CE2-CG1 3.85Å
242	T	98.7	Very high	97	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	137.8	175.2	-65.3	0	0	0	0	110.6	A267 C269 A302 T303 P305 F306 I307	T242-A267 WeakPolarHBondContact CA-O 3.5Å; T242-A267 HydrophobicContact CG2-CB 4.26Å; T242-A267 WeakPolarHBondContact CG2-O 3.3Å; T242-C269 HydrophobicContact CG2-CB 4.06Å; T242-A302 HydrophobicContact CG2-CB 4.12Å; T242-T303 WeakPolarHBondContact CB-O 3.34Å; T242-T303 PolarHBondContact OG1-O 3.22Å; T242-P305 PolarHBondContact N-O 3.27Å; T242-F306 HydrophobicContact CG2-CD1 3.8Å; T242-F306 HydrophobicContact CG2-CE1 3.86Å; T242-F306 CarbonylContact O-C 3.54Å; T242-F306 WeakPolarHBondContact O-CA 3.19Å; T242-I307 PolarHBondContact O-N 3.19Å
243	I	98.6	Very high	97.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	112.8	172.1	-61.5	173.4	0	0	0	109.1	F241 N245 L253 Y254 V265 A267 F268 C269	F241-I243 HydrophobicContact CD2-CG1 4.19Å; F241-I243 HydrophobicContact CE2-CD1 4.19Å; F241-I243 HydrophobicContact CE2-CG1 3.69Å; I243-N245 PolarHBondContact O-N 3.1Å; I243-N245 VanDerWaalsContact O-N 3.12Å; I243-L253 HydrophobicContact CD1-CD2 4.43Å; I243-Y254 HydrophobicContact CD1-CD2 4.39Å; I243-V265 HydrophobicContact CD1-CG1 4.02Å; I243-V265 HydrophobicContact CD1-CG2 3.97Å; I243-V265 HydrophobicContact CG1-CG1 4.14Å; I243-V265 HydrophobicContact CG1-CG2 4.44Å; I243-A267 PolarHBondContact N-O 2.96Å; I243-F268 HydrophobicContact CB-CD1 3.74Å; I243-F268 HydrophobicContact CB-CE1 3.84Å; I243-F268 HydrophobicContact CD1-CE1 3.91Å; I243-F268 HydrophobicContact CD1-CZ 4.27Å; I243-F268 HydrophobicContact CG1-CE1 4.46Å; I243-F268 HydrophobicContact CG2-CD1 3.85Å; I243-F268 HydrophobicContact CG2-CE1 3.81Å; I243-F268 CarbonylContact O-C 3.56Å; I243-F268 VanDerWaalsContact O-CA 3.28Å; I243-F268 WeakPolarHBondContact O-CA 3.42Å; I243-C269 PolarHBondContact O-N 2.91Å
244	W	97.7	Very high	97.3	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.015	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	85.2	175.7	-162.5	-22	0	0	0	110	Y299 F306 I307 I308 C309 L319 N322 L323 L326 L328	W244-Y299 AromaticContact CH2-CD2 3.6Å; W244-Y299 HydrophobicContact CH2-CD2 3.6Å; W244-Y299 HydrophobicContact CH2-CE2 4.43Å; W244-Y299 HydrophobicContact CH2-CG 4.24Å; W244-Y299 VanDerWaalsContact CZ2-CB 3.49Å; W244-Y299 AromaticContact CZ2-CD2 3.46Å; W244-Y299 HydrophobicContact CZ2-CD2 3.46Å; W244-Y299 VanDerWaalsContact CZ2-CD2 3.46Å; W244-Y299 HydrophobicContact CZ2-CE2 4.38Å; W244-Y299 AromaticContact CZ2-CG 3.68Å; W244-Y299 HydrophobicContact CZ2-CG 3.68Å; W244-F306 HydrophobicContact CE3-CD1 4.19Å; W244-F306 HydrophobicContact CE3-CG 4.38Å; W244-I307 PolarHBondContact N-O 3.12Å; W244-I308 HydrophobicContact CB-CG1 4.23Å; W244-I308 HydrophobicContact CE3-CD1 4.45Å; W244-I308 HydrophobicContact CE3-CG1 4.39Å; W244-C309 PolarHBondContact O-N 3.23Å; W244-L319 HydrophobicContact CZ2-CD1 4.46Å; W244-N322 HydrophobicContact CH2-CB 4.05Å; W244-N322 HydrophobicContact CZ2-CB 4.14Å; W244-L323 HydrophobicContact CE3-CD2 4.26Å; W244-L323 HydrophobicContact CH2-CD2 4.18Å; W244-L323 HydrophobicContact CZ3-CD2 3.62Å; W244-L326 HydrophobicContact CH2-CD1 3.84Å; W244-L326 HydrophobicContact CZ3-CD1 3.98Å; W244-L328 HydrophobicContact CZ3-CD1 4.12Å
245	N	96.6	Very high	97.3	Very high	22 Å²	22	45 Å²	45	12%	0.118	21%	0.212	C	C	.	.			trans	164.8	101.3	165.5	-176.2	-93.2	0	0	0	106.2	I243 G247 G250 C269 C309 V310	I243-N245 PolarHBondContact O-N 3.1Å; I243-N245 VanDerWaalsContact O-N 3.12Å; N245-G247 PolarHBondContact O-N 2.87Å; N245-G247 VanDerWaalsContact O-N 3.11Å; N245-G247 WeakPolarHBondContact OD1-CA 3.4Å; N245-G247 PolarHBondContact OD1-N 2.96Å; N245-G247 VanDerWaalsContact OD1-N 3.13Å; N245-G250 WeakPolarHBondContact O-CA 3.41Å; N245-G250 PolarHBondContact OD1-N 3.09Å; N245-G250 VanDerWaalsContact OD1-N 3.12Å; N245-C269 PolarHBondContact N-O 2.92Å; N245-C309 HydrophobicContact CB-CB 3.72Å; N245-V310 HydrophobicContact CB-CG2 4.4Å
246	A	96.6	Very high	97.3	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.008	23%	0.227	C	C	.	.	S	Bend	trans	-80.3	15.5	176.7	0	0	0	0	0	112.7	R251 F268 C269 D270 K275 V296	A246-R251 PolarHBondContact O-NE 3.34Å; A246-R251 PolarHBondContact O-NH2 3.38Å; A246-F268 HydrophobicContact CB-CB 3.93Å; A246-C269 PolarHBondContact N-O 3.34Å; A246-D270 HydrophobicContact CB-CB 3.96Å; A246-D270 PolarHBondContact N-OD2 3.43Å; A246-K275 HydrophobicContact CB-CB 4.17Å; A246-K275 HydrophobicContact CB-CD 4.13Å; A246-V296 HydrophobicContact CB-CG1 3.57Å; A246-V296 HydrophobicContact CB-CG2 4.47Å
247	G	94.9	Very high	97.4	Very high	12 Å²	12	44.1 Å²	44.1	12%	0.124	21%	0.205	C	C	.	.	S	Bend	trans	-103.5	-156.5	-176.2	0	0	0	0	0	113.8	N245 Q249 R251	N245-G247 PolarHBondContact O-N 2.87Å; N245-G247 VanDerWaalsContact O-N 3.11Å; N245-G247 WeakPolarHBondContact OD1-CA 3.4Å; N245-G247 PolarHBondContact OD1-N 2.96Å; N245-G247 VanDerWaalsContact OD1-N 3.13Å; G247-Q249 PolarHBondContact O-N 3.3Å; G247-R251 VanDerWaalsContact O-CB 3.32Å; G247-R251 WeakPolarHBondContact O-CB 3.28Å; G247-R251 WeakPolarHBondContact O-CD 3.33Å; G247-R251 WeakPolarHBondContact O-CG 3.34Å; G247-R251 PolarHBondContact O-N 3.02Å; G247-R251 VanDerWaalsContact O-N 3.13Å
248	K	94.4	Very high	97.4	Very high	171 Å²	171	39.1 Å²	39.1	74%	0.743	19%	0.188	S	C	*	.	H	α-helix	trans	-57.7	-45.5	-174	-176.8	178.6	177.3	-179	0	112.6	K252	K248-K252 WeakPolarHBondContact O-CB 3.3Å; K248-K252 PolarHBondContact O-N 2.86Å
249	Q	94.9	Very high	97.3	Very high	64 Å²	64	41.7 Å²	41.7	30%	0.299	20%	0.203	S	C	.	.	H	α-helix	trans	-73.4	-49.2	-172.8	-66.8	-60.2	-27	0	0	112.1	G247 R251 K252 L253 C309	G247-Q249 PolarHBondContact O-N 3.3Å; Q249-R251 VanDerWaalsContact C-N 3.33Å; Q249-R251 PolarHBondContact O-N 3.46Å; Q249-K252 WeakPolarHBondContact O-CB 3.42Å; Q249-K252 PolarHBondContact O-N 3.25Å; Q249-K252 VanDerWaalsContact O-N 3.15Å; Q249-L253 PolarHBondContact O-N 3.48Å; Q249-C309 HydrophobicContact CB-CB 4.15Å
250	G	97.3	Very high	97.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.9	-38.7	178.2	0	0	0	0	0	112.6	N245 L253 Y254	N245-G250 WeakPolarHBondContact O-CA 3.41Å; N245-G250 PolarHBondContact OD1-N 3.09Å; N245-G250 VanDerWaalsContact OD1-N 3.12Å; G250-L253 PolarHBondContact O-N 3.48Å; G250-Y254 PolarHBondContact O-N 2.83Å
251	R	97.4	Very high	97.2	Very high	59 Å²	59	38.2 Å²	38.2	22%	0.223	19%	0.189	C	C	.	.	H	α-helix	trans	-66.1	-38	173.4	-65.3	171.5	-163.7	-154.5	0.2	112.3	A246 G247 Q249 L253 Y254 R255 F268 Y281	A246-R251 PolarHBondContact O-NE 3.34Å; A246-R251 PolarHBondContact O-NH2 3.38Å; G247-R251 VanDerWaalsContact O-CB 3.32Å; G247-R251 WeakPolarHBondContact O-CB 3.28Å; G247-R251 WeakPolarHBondContact O-CD 3.33Å; G247-R251 WeakPolarHBondContact O-CG 3.34Å; G247-R251 PolarHBondContact O-N 3.02Å; G247-R251 VanDerWaalsContact O-N 3.13Å; Q249-R251 VanDerWaalsContact C-N 3.33Å; Q249-R251 PolarHBondContact O-N 3.46Å; R251-L253 VanDerWaalsContact C-N 3.33Å; R251-Y254 PolarHBondContact O-N 2.87Å; R251-R255 WeakPolarHBondContact O-CG 3.26Å; R251-R255 PolarHBondContact O-N 3.17Å; R251-R255 VanDerWaalsContact O-N 3.09Å; R251-F268 HydrophobicContact CG-CE1 4.46Å; R251-F268 HydrophobicContact CG-CZ 4.41Å; R251-Y281 HydrophobicContact CB-CE2 4.3Å; R251-Y281 HydrophobicContact CG-CD2 3.94Å; R251-Y281 HydrophobicContact CG-CE2 3.78Å; R251-Y281 HydrophobicContact CG-CG 4.41Å
252	K	97.6	Very high	97.2	Very high	54 Å²	54	39.1 Å²	39.1	24%	0.235	19%	0.193	C	C	.	.	H	α-helix	trans	-59.5	-47.3	173.1	-168.4	-173.1	176.4	-175.2	0	109.6	E220 W223 K248 Q249 Y254 R255 S256	E220-K252 IonicContact OE2-NZ 3.77Å; E220-K252 PolarHBondContact OE2-NZ 3.2Å; W223-K252 HydrophobicContact CD2-CD 4.04Å; W223-K252 HydrophobicContact CE3-CD 4.23Å; W223-K252 HydrophobicContact CH2-CB 3.89Å; W223-K252 HydrophobicContact CH2-CD 3.72Å; W223-K252 HydrophobicContact CH2-CG 3.89Å; W223-K252 HydrophobicContact CZ2-CB 3.77Å; W223-K252 HydrophobicContact CZ2-CD 3.52Å; W223-K252 HydrophobicContact CZ2-CG 3.41Å; W223-K252 VanDerWaalsContact CZ2-CG 3.41Å; W223-K252 HydrophobicContact CZ3-CD 4.08Å; K248-K252 WeakPolarHBondContact O-CB 3.3Å; K248-K252 PolarHBondContact O-N 2.86Å; Q249-K252 WeakPolarHBondContact O-CB 3.42Å; Q249-K252 PolarHBondContact O-N 3.25Å; Q249-K252 VanDerWaalsContact O-N 3.15Å; K252-Y254 PolarHBondContact O-N 3.48Å; K252-R255 PolarHBondContact O-N 3.18Å; K252-S256 PolarHBondContact O-N 3.17Å; K252-S256 PolarHBondContact O-OG 3.13Å; K252-S256 VanDerWaalsContact O-OG 3.12Å
253	L	98.3	Very high	97.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-56.4	-54.4	177.2	174.3	62.2	0	0	0	110.8	W223 V227 L230 I243 Q249 G250 R251 R255 S256 L257 I307 C309 F337	W223-L253 HydrophobicContact CH2-CB 4.41Å; W223-L253 HydrophobicContact CZ2-CB 4.3Å; V227-L253 HydrophobicContact CG2-CD1 3.99Å; L230-L253 HydrophobicContact CD2-CD1 4.28Å; L230-L253 HydrophobicContact CD2-CD2 4.44Å; I243-L253 HydrophobicContact CD1-CD2 4.43Å; Q249-L253 PolarHBondContact O-N 3.48Å; G250-L253 PolarHBondContact O-N 3.48Å; R251-L253 VanDerWaalsContact C-N 3.33Å; L253-R255 VanDerWaalsContact C-N 3.27Å; L253-R255 PolarHBondContact O-N 3.05Å; L253-S256 CarbonylContact O-C 3.53Å; L253-S256 WeakPolarHBondContact O-CA 3.47Å; L253-S256 WeakPolarHBondContact O-CB 3.26Å; L253-S256 PolarHBondContact O-N 3.12Å; L253-L257 HydrophobicContact CD1-CD2 4.03Å; L253-L257 HydrophobicContact CD1-CG 4.48Å; L253-L257 WeakPolarHBondContact O-CG 3.44Å; L253-L257 PolarHBondContact O-N 2.99Å; L253-L257 VanDerWaalsContact O-N 3.1Å; L253-I307 HydrophobicContact CD2-CB 4.3Å; L253-I307 HydrophobicContact CD2-CG2 3.48Å; L253-I307 VanDerWaalsContact CD2-CG2 3.48Å; L253-C309 VanDerWaalsContact CD2-SG 3.54Å; L253-F337 HydrophobicContact CB-CD1 4.41Å; L253-F337 HydrophobicContact CB-CE1 4.39Å; L253-F337 HydrophobicContact CD1-CD1 4.04Å; L253-F337 HydrophobicContact CD1-CE1 3.8Å; L253-F337 HydrophobicContact CD1-CE2 4.5Å; L253-F337 HydrophobicContact CD1-CZ 4.06Å; L253-F337 HydrophobicContact CD2-CD1 4Å; L253-F337 HydrophobicContact CD2-CG 4.32Å; L253-F337 HydrophobicContact CG-CD1 4.37Å; L253-F337 HydrophobicContact CG-CE1 4.46Å
254	Y	98.5	Very high	97.1	Very high	8 Å²	8	47.7 Å²	47.7	3%	0.031	23%	0.23	C	C	.	.	H	α-helix	trans	-50.1	-47.8	179	176.5	-88.8	0	0	0	112.4	I243 G250 R251 K252 S256 L257 Q262 V265 F268 Y281 Y283 V294	I243-Y254 HydrophobicContact CD1-CD2 4.39Å; G250-Y254 PolarHBondContact O-N 2.83Å; R251-Y254 PolarHBondContact O-N 2.87Å; K252-Y254 PolarHBondContact O-N 3.48Å; Y254-S256 VanDerWaalsContact C-N 3.28Å; Y254-S256 PolarHBondContact O-N 2.88Å; Y254-L257 WeakPolarHBondContact O-CB 3.44Å; Y254-L257 PolarHBondContact O-N 3.21Å; Y254-Q262 HydrophobicContact CE1-CG 4.46Å; Y254-Q262 HydrophobicContact CE2-CB 4.12Å; Y254-Q262 HydrophobicContact CE2-CG 4.34Å; Y254-Q262 WeakPolarHBondContact O-CG 3.22Å; Y254-Q262 PolarHBondContact O-NE2 3.29Å; Y254-V265 HydrophobicContact CD2-CB 4.08Å; Y254-V265 HydrophobicContact CD2-CG1 4.18Å; Y254-V265 HydrophobicContact CD2-CG2 3.87Å; Y254-V265 HydrophobicContact CE2-CB 4.04Å; Y254-V265 HydrophobicContact CE2-CG1 4.43Å; Y254-V265 HydrophobicContact CE2-CG2 4.14Å; Y254-F268 HydrophobicContact CD2-CE2 4.38Å; Y254-F268 HydrophobicContact CD2-CZ 4.07Å; Y254-F268 HydrophobicContact CG-CE2 4.46Å; Y254-F268 AromaticContact CG-CZ 3.89Å; Y254-F268 HydrophobicContact CG-CZ 3.89Å; Y254-Y281 AromaticContact CD1-CE1 3.85Å; Y254-Y281 HydrophobicContact CD1-CE1 3.85Å; Y254-Y281 HydrophobicContact CE1-CE1 4.13Å; Y254-Y283 HydrophobicContact CD1-CD1 4.4Å; Y254-Y283 AromaticContact CE1-CD1 3.72Å; Y254-Y283 HydrophobicContact CE1-CD1 3.72Å; Y254-Y283 HydrophobicContact CE1-CG 4Å; Y254-V294 HydrophobicContact CD2-CG2 4.39Å; Y254-V294 HydrophobicContact CE2-CG2 3.65Å
255	R	97.9	Very high	97.1	Very high	80 Å²	80	48.1 Å²	48.1	30%	0.302	23%	0.233	S	C	.	.	H	α-helix	trans	-66.5	-28.9	179.5	-67.5	-170.9	-65.8	-105.4	2.4	113.5	R251 K252 L253 Y281 Y283 E285	R251-R255 WeakPolarHBondContact O-CG 3.26Å; R251-R255 PolarHBondContact O-N 3.17Å; R251-R255 VanDerWaalsContact O-N 3.09Å; K252-R255 PolarHBondContact O-N 3.18Å; L253-R255 VanDerWaalsContact C-N 3.27Å; L253-R255 PolarHBondContact O-N 3.05Å; R255-Y281 PolarHBondContact NH1-OH 2.94Å; R255-Y283 HydrophobicContact CB-CE2 4.24Å; R255-Y283 HydrophobicContact CG-CD2 3.85Å; R255-Y283 HydrophobicContact CG-CE1 4.3Å; R255-Y283 HydrophobicContact CG-CE2 3.38Å; R255-Y283 HydrophobicContact CG-CG 4.5Å; R255-E285 WeakPolarHBondContact CD-OE2 3.34Å
256	S	97.9	Very high	97.2	Very high	44 Å²	44	51.6 Å²	51.6	31%	0.308	25%	0.247	S	C	.	.	H	α-helix	trans	-82.1	-12.4	177.9	-62.1	0	0	0	0	113.8	W223 K252 L253 Y254	W223-S256 PolarHBondContact NE1-OG 3.48Å; K252-S256 PolarHBondContact O-N 3.17Å; K252-S256 PolarHBondContact O-OG 3.13Å; K252-S256 VanDerWaalsContact O-OG 3.12Å; L253-S256 CarbonylContact O-C 3.53Å; L253-S256 WeakPolarHBondContact O-CA 3.47Å; L253-S256 WeakPolarHBondContact O-CB 3.26Å; L253-S256 PolarHBondContact O-N 3.12Å; Y254-S256 VanDerWaalsContact C-N 3.28Å; Y254-S256 PolarHBondContact O-N 2.88Å
257	L	98.3	Very high	97.3	Very high	7 Å²	7	51.7 Å²	51.7	4%	0.037	25%	0.248	C	C	.	.	S	Bend	trans	-69.6	150.6	176.5	-64.6	174.9	0	0	0	111.4	V227 Q231 L235 F241 L253 Y254 N261 Q262 V265	V227-L257 HydrophobicContact CG1-CD2 4.48Å; Q231-L257 HydrophobicContact CG-CD2 3.79Å; L235-L257 HydrophobicContact CD1-CD2 3.58Å; F241-L257 HydrophobicContact CZ-CD1 3.75Å; L253-L257 HydrophobicContact CD1-CD2 4.03Å; L253-L257 HydrophobicContact CD1-CG 4.48Å; L253-L257 WeakPolarHBondContact O-CG 3.44Å; L253-L257 PolarHBondContact O-N 2.99Å; L253-L257 VanDerWaalsContact O-N 3.1Å; Y254-L257 WeakPolarHBondContact O-CB 3.44Å; Y254-L257 PolarHBondContact O-N 3.21Å; L257-N261 HydrophobicContact CB-CB 4.15Å; L257-N261 HydrophobicContact CD1-CB 4.4Å; L257-N261 HydrophobicContact CD2-CB 4.32Å; L257-Q262 HydrophobicContact CB-CG 3.75Å; L257-Q262 PolarHBondContact O-NE2 2.91Å; L257-V265 HydrophobicContact CD1-CG2 3.94Å
258	S	97.1	Very high	97.5	Very high	50 Å²	50	51.1 Å²	51.1	35%	0.35	24%	0.242	S	C	.	.			trans	-58.2	154.8	164.4	65.4	0	0	0	0	111	Q231 I260 N261 Q262	Q231-S258 PolarHBondContact OE1-OG 2.86Å; S258-I260 PolarHBondContact O-N 2.79Å; S258-I260 VanDerWaalsContact O-N 3.17Å; S258-N261 PolarHBondContact O-N 3.13Å; S258-N261 PolarHBondContact OG-N 2.84Å; S258-N261 PolarHBondContact OG-ND2 3.15Å; S258-Q262 WeakPolarHBondContact O-CG 3.43Å; S258-Q262 PolarHBondContact O-N 3.41Å
259	L	95.6	Very high	97.6	Very high	88 Å²	88	43 Å²	43	46%	0.461	21%	0.207	S	C	.	.	H	α-helix	trans	-56.3	-36.3	179.7	-176.9	62.3	0	0	0	112.6	K263 E288	L259-K263 WeakPolarHBondContact O-CG 3.35Å; L259-K263 PolarHBondContact O-N 3.24Å; L259-E288 WeakPolarHBondContact CD1-OE1 3.35Å
260	I	96.5	Very high	97.7	Very high	125 Å²	125	40.3 Å²	40.3	64%	0.641	20%	0.195	S	C	*	.	H	α-helix	trans	-61	-49.6	175.9	-65.2	170.4	0	0	0	109.9	S258 K263 K264	S258-I260 PolarHBondContact O-N 2.79Å; S258-I260 VanDerWaalsContact O-N 3.17Å; I260-K263 PolarHBondContact O-N 3.28Å; I260-K264 PolarHBondContact O-N 2.98Å
261	N	98.1	Very high	97.5	Very high	12 Å²	12	43.6 Å²	43.6	6%	0.064	21%	0.214	C	C	.	.	H	α-helix	trans	-75.6	-26.3	-178	-71.8	-30.4	0	0	0	113.5	Q231 L235 L257 S258 K263 K264	Q231-N261 WeakPolarHBondContact CG-ND2 3.49Å; Q231-N261 PolarHBondContact OE1-ND2 2.93Å; L235-N261 HydrophobicContact CD1-CB 4.46Å; L257-N261 HydrophobicContact CB-CB 4.15Å; L257-N261 HydrophobicContact CD1-CB 4.4Å; L257-N261 HydrophobicContact CD2-CB 4.32Å; S258-N261 PolarHBondContact O-N 3.13Å; S258-N261 PolarHBondContact OG-N 2.84Å; S258-N261 PolarHBondContact OG-ND2 3.15Å; N261-K263 VanDerWaalsContact C-N 3.3Å; N261-K263 PolarHBondContact O-N 3.11Å; N261-K264 WeakPolarHBondContact O-CB 3.36Å; N261-K264 PolarHBondContact O-N 3.12Å; N261-K264 WeakPolarHBondContact OD1-CD 3.32Å
262	Q	97.9	Very high	97.4	Very high	19 Å²	19	43.4 Å²	43.4	9%	0.089	22%	0.218	C	C	.	.	H	α-helix	trans	-59.7	-42.9	169.8	-72.7	-177.1	22.8	0	0	111.1	Y254 L257 S258 K264 V265	Y254-Q262 HydrophobicContact CE1-CG 4.46Å; Y254-Q262 HydrophobicContact CE2-CB 4.12Å; Y254-Q262 HydrophobicContact CE2-CG 4.34Å; Y254-Q262 WeakPolarHBondContact O-CG 3.22Å; Y254-Q262 PolarHBondContact O-NE2 3.29Å; L257-Q262 HydrophobicContact CB-CG 3.75Å; L257-Q262 PolarHBondContact O-NE2 2.91Å; S258-Q262 WeakPolarHBondContact O-CG 3.43Å; S258-Q262 PolarHBondContact O-N 3.41Å; Q262-K264 PolarHBondContact O-N 3.35Å; Q262-V265 WeakPolarHBondContact O-CB 3.37Å; Q262-V265 PolarHBondContact O-N 3.07Å; Q262-V265 VanDerWaalsContact O-N 3.1Å
263	K	96.9	Very high	97.2	Very high	144 Å²	144	45.5 Å²	45.5	63%	0.626	23%	0.229	S	C	*	.	H	α-helix	trans	-67.5	-19.9	178.1	-69.4	177.6	179.7	-175.4	0	113.8	L259 I260 N261 V265	L259-K263 WeakPolarHBondContact O-CG 3.35Å; L259-K263 PolarHBondContact O-N 3.24Å; I260-K263 PolarHBondContact O-N 3.28Å; N261-K263 VanDerWaalsContact C-N 3.3Å; N261-K263 PolarHBondContact O-N 3.11Å; K263-V265 VanDerWaalsContact C-N 3.3Å
264	K	98.4	Very high	97	Very high	38 Å²	38	50.8 Å²	50.8	17%	0.165	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-15.9	174	-64.8	-172.3	-179.1	-168.5	0	112.9	L235 W238 E239 N240 F241 I260 N261 Q262 K266	L235-K264 PolarHBondContact O-NZ 2.83Å; W238-K264 WeakPolarHBondContact O-CD 3.41Å; W238-K264 WeakPolarHBondContact O-CE 3.39Å; W238-K264 PolarHBondContact O-NZ 3.05Å; E239-K264 WeakPolarHBondContact O-CG 3.45Å; N240-K264 CarbonylContact C-O 3.6Å; N240-K264 WeakPolarHBondContact CA-O 3.38Å; N240-K264 WeakPolarHBondContact CB-O 3.15Å; F241-K264 HydrophobicContact CD1-CB 3.94Å; F241-K264 HydrophobicContact CE1-CB 3.8Å; F241-K264 PolarHBondContact N-O 3.46Å; I260-K264 PolarHBondContact O-N 2.98Å; N261-K264 WeakPolarHBondContact O-CB 3.36Å; N261-K264 PolarHBondContact O-N 3.12Å; N261-K264 WeakPolarHBondContact OD1-CD 3.32Å; Q262-K264 PolarHBondContact O-N 3.35Å; K264-K266 PolarHBondContact O-N 3.41Å; K264-K266 VanDerWaalsContact O-N 3.17Å
265	V	98.6	Very high	96.8	Very high	13 Å²	13	52.5 Å²	52.5	8%	0.079	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	108.7	-178.7	-176.7	0	0	0	0	109.7	F241 I243 Y254 L257 Q262 K263 V294	F241-V265 HydrophobicContact CE1-CG2 3.95Å; F241-V265 HydrophobicContact CE2-CG2 3.83Å; F241-V265 HydrophobicContact CZ-CG2 3.47Å; F241-V265 VanDerWaalsContact CZ-CG2 3.47Å; F241-V265 CarbonylContact O-C 3.45Å; F241-V265 WeakPolarHBondContact O-CA 3.13Å; I243-V265 HydrophobicContact CD1-CG1 4.02Å; I243-V265 HydrophobicContact CD1-CG2 3.97Å; I243-V265 HydrophobicContact CG1-CG1 4.14Å; I243-V265 HydrophobicContact CG1-CG2 4.44Å; Y254-V265 HydrophobicContact CD2-CB 4.08Å; Y254-V265 HydrophobicContact CD2-CG1 4.18Å; Y254-V265 HydrophobicContact CD2-CG2 3.87Å; Y254-V265 HydrophobicContact CE2-CB 4.04Å; Y254-V265 HydrophobicContact CE2-CG1 4.43Å; Y254-V265 HydrophobicContact CE2-CG2 4.14Å; L257-V265 HydrophobicContact CD1-CG2 3.94Å; Q262-V265 WeakPolarHBondContact O-CB 3.37Å; Q262-V265 PolarHBondContact O-N 3.07Å; Q262-V265 VanDerWaalsContact O-N 3.1Å; K263-V265 VanDerWaalsContact C-N 3.3Å; V265-V294 HydrophobicContact CG1-CG1 3.91Å
266	K	97.9	Very high	96.6	Very high	95 Å²	95	49.8 Å²	49.8	41%	0.413	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	-43.2	178.4	-86.4	172.1	162.9	175.8	0	112.4	N240 F241 K264 P295	N240-K266 HydrophobicContact CB-CD 3.78Å; N240-K266 HydrophobicContact CB-CG 3.9Å; N240-K266 PolarHBondContact ND2-NZ 3.38Å; N240-K266 VanDerWaalsContact OD1-CD 3.29Å; N240-K266 WeakPolarHBondContact OD1-CD 3.47Å; N240-K266 WeakPolarHBondContact OD1-CE 3.4Å; N240-K266 PolarHBondContact OD1-NZ 3.26Å; F241-K266 PolarHBondContact O-N 3.29Å; K264-K266 PolarHBondContact O-N 3.41Å; K264-K266 VanDerWaalsContact O-N 3.17Å; K266-P295 VanDerWaalsContact O-CD 3.27Å; K266-P295 WeakPolarHBondContact O-CD 3.46Å; K266-P295 WeakPolarHBondContact O-CG 3.5Å
267	A	98.5	Very high	96.5	Very high	3 Å²	3	54.3 Å²	54.3	3%	0.025	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	159.5	-175.4	0	0	0	0	0	111	T242 I243 P295 L297	T242-A267 WeakPolarHBondContact CA-O 3.5Å; T242-A267 HydrophobicContact CG2-CB 4.26Å; T242-A267 WeakPolarHBondContact CG2-O 3.3Å; I243-A267 PolarHBondContact N-O 2.96Å; A267-P295 CarbonylContact C-O 3.56Å; A267-P295 WeakPolarHBondContact CA-O 3.41Å; A267-P295 HydrophobicContact CB-CG 4.01Å; A267-L297 HydrophobicContact CB-CD1 3.76Å; A267-L297 HydrophobicContact CB-CG 4.07Å
268	F	98.6	Very high	96.2	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	148.7	147.8	-68.9	-84.6	0	0	0	109	I243 A246 R251 Y254 Y281 V294 P295 V296 L297	I243-F268 HydrophobicContact CB-CD1 3.74Å; I243-F268 HydrophobicContact CB-CE1 3.84Å; I243-F268 HydrophobicContact CD1-CE1 3.91Å; I243-F268 HydrophobicContact CD1-CZ 4.27Å; I243-F268 HydrophobicContact CG1-CE1 4.46Å; I243-F268 HydrophobicContact CG2-CD1 3.85Å; I243-F268 HydrophobicContact CG2-CE1 3.81Å; I243-F268 CarbonylContact O-C 3.56Å; I243-F268 VanDerWaalsContact O-CA 3.28Å; I243-F268 WeakPolarHBondContact O-CA 3.42Å; A246-F268 HydrophobicContact CB-CB 3.93Å; R251-F268 HydrophobicContact CG-CE1 4.46Å; R251-F268 HydrophobicContact CG-CZ 4.41Å; Y254-F268 HydrophobicContact CD2-CE2 4.38Å; Y254-F268 HydrophobicContact CD2-CZ 4.07Å; Y254-F268 HydrophobicContact CG-CE2 4.46Å; Y254-F268 AromaticContact CG-CZ 3.89Å; Y254-F268 HydrophobicContact CG-CZ 3.89Å; F268-Y281 HydrophobicContact CD2-CD1 4.37Å; F268-Y281 HydrophobicContact CD2-CG 4.48Å; F268-Y281 AromaticContact CE2-CD1 3.51Å; F268-Y281 HydrophobicContact CE2-CD1 3.51Å; F268-Y281 HydrophobicContact CE2-CE1 4.27Å; F268-Y281 AromaticContact CE2-CG 3.98Å; F268-Y281 HydrophobicContact CE2-CG 3.98Å; F268-Y281 HydrophobicContact CZ-CD1 4.06Å; F268-Y281 HydrophobicContact CZ-CE1 4.43Å; F268-V294 HydrophobicContact CD2-CB 3.88Å; F268-V294 HydrophobicContact CD2-CG1 3.55Å; F268-V294 HydrophobicContact CE2-CB 3.82Å; F268-V294 HydrophobicContact CE2-CG1 3.79Å; F268-V294 HydrophobicContact CE2-CG2 4.24Å; F268-P295 PolarHBondContact N-O 2.95Å; F268-V296 HydrophobicContact CB-CG2 4.28Å; F268-V296 WeakPolarHBondContact O-CA 3.44Å; F268-L297 PolarHBondContact O-N 2.91Å
269	C	97.8	Very high	96.1	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	155.4	164.4	70.9	0	0	0	0	112.1	T242 I243 N245 A246 L297 A302	T242-C269 HydrophobicContact CG2-CB 4.06Å; I243-C269 PolarHBondContact O-N 2.91Å; N245-C269 PolarHBondContact N-O 2.92Å; A246-C269 PolarHBondContact N-O 3.34Å; C269-L297 VanDerWaalsContact CA-O 3.26Å; C269-L297 WeakPolarHBondContact CA-O 3.36Å; C269-A302 HydrophobicContact CB-CB 3.55Å
270	D	96.4	Very high	96.2	Very high	8 Å²	8	68.3 Å²	68.3	4%	0.043	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	170.6	179.3	-143.3	-73.4	0	0	0	111	A246 D272 K275 L297 Y299	A246-D270 HydrophobicContact CB-CB 3.96Å; A246-D270 PolarHBondContact N-OD2 3.43Å; D270-D272 WeakPolarHBondContact OD1-CB 3.48Å; D270-D272 PolarHBondContact OD1-N 3.02Å; D270-K275 HydrophobicContact CB-CB 4.48Å; D270-K275 HydrophobicContact CB-CD 4.27Å; D270-K275 IonicContact OD1-NZ 3.87Å; D270-K275 PolarHBondContact OD1-NZ 2.93Å; D270-K275 WeakPolarHBondContact OD2-CD 3.35Å; D270-K275 IonicContact OD2-NZ 3.75Å; D270-K275 PolarHBondContact OD2-NZ 2.96Å; D270-L297 PolarHBondContact N-O 3.43Å; D270-Y299 PolarHBondContact O-N 2.96Å; D270-Y299 VanDerWaalsContact O-N 3.09Å
271	V	94.1	Very high	96.3	Very high	68 Å²	68	63.1 Å²	63.1	41%	0.412	29%	0.29	S	S	.	.	S	Bend	trans	-101.9	-14.4	170.5	-63	0	0	0	0	111.4	E273 Y299	V271-E273 PolarHBondContact O-N 2.85Å; V271-Y299 HydrophobicContact CG1-CD1 3.61Å; V271-Y299 HydrophobicContact CG1-CE1 3.93Å; V271-Y299 HydrophobicContact CG1-CG 4.14Å
272	D	93.8	Very high	96.2	Very high	56 Å²	56	64.9 Å²	64.9	30%	0.299	30%	0.301	S	S	.	.			trans	-81.6	108.4	-179.7	-178.5	-12.7	0	0	0	111.2	D270 N274 K275 I276	D270-D272 WeakPolarHBondContact OD1-CB 3.48Å; D270-D272 PolarHBondContact OD1-N 3.02Å; D272-N274 PolarHBondContact O-N 3.07Å; D272-N274 VanDerWaalsContact O-N 3.17Å; D272-N274 WeakPolarHBondContact OD1-CB 3.42Å; D272-N274 PolarHBondContact OD1-N 2.91Å; D272-N274 PolarHBondContact OD1-ND2 3.38Å; D272-K275 HydrophobicContact CB-CB 4.43Å; D272-K275 HydrophobicContact CB-CD 3.97Å; D272-K275 HydrophobicContact CB-CG 4.07Å; D272-K275 WeakPolarHBondContact O-CB 3.31Å; D272-K275 PolarHBondContact O-N 3.23Å; D272-K275 WeakPolarHBondContact OD2-CE 3.32Å; D272-K275 IonicContact OD2-NZ 2.95Å; D272-I276 WeakPolarHBondContact O-CG1 3.28Å; D272-I276 PolarHBondContact O-N 2.76Å; D272-I276 VanDerWaalsContact O-N 3.13Å
273	E	94.1	Very high	96.1	Very high	98 Å²	98	65.6 Å²	65.6	46%	0.458	30%	0.303	S	S	.	.	H	α-helix	trans	-51.6	-36.6	178.5	-68.1	-60.3	155.1	0	0	113.3	V271 K275 I276 Q277 H298	V271-E273 PolarHBondContact O-N 2.85Å; E273-K275 PolarHBondContact O-N 2.72Å; E273-I276 PolarHBondContact O-N 2.89Å; E273-Q277 WeakPolarHBondContact O-CB 3.42Å; E273-Q277 VanDerWaalsContact O-CG 3.26Å; E273-Q277 WeakPolarHBondContact O-CG 3.32Å; E273-Q277 PolarHBondContact O-N 2.93Å; E273-H298 IonicContact OE1-CD2 3.88Å
274	N	94.4	Very high	96	Very high	111 Å²	111	64.7 Å²	64.7	59%	0.594	30%	0.301	S	S	*	.	H	α-helix	trans	-67.1	-28.7	179.8	-60.5	-60.8	0	0	0	112.2	D272	D272-N274 PolarHBondContact O-N 3.07Å; D272-N274 VanDerWaalsContact O-N 3.17Å; D272-N274 WeakPolarHBondContact OD1-CB 3.42Å; D272-N274 PolarHBondContact OD1-N 2.91Å; D272-N274 PolarHBondContact OD1-ND2 3.38Å
275	K	93.5	Very high	95.8	Very high	44 Å²	44	69.3 Å²	69.3	19%	0.191	32%	0.324	C	S	.	.	H	α-helix	trans	-79.1	-40.2	174.4	-61.3	178	-159	141.8	0	110.7	A246 D270 D272 E273 K278 V296	A246-K275 HydrophobicContact CB-CB 4.17Å; A246-K275 HydrophobicContact CB-CD 4.13Å; D270-K275 HydrophobicContact CB-CB 4.48Å; D270-K275 HydrophobicContact CB-CD 4.27Å; D270-K275 IonicContact OD1-NZ 3.87Å; D270-K275 PolarHBondContact OD1-NZ 2.93Å; D270-K275 WeakPolarHBondContact OD2-CD 3.35Å; D270-K275 IonicContact OD2-NZ 3.75Å; D270-K275 PolarHBondContact OD2-NZ 2.96Å; D272-K275 HydrophobicContact CB-CB 4.43Å; D272-K275 HydrophobicContact CB-CD 3.97Å; D272-K275 HydrophobicContact CB-CG 4.07Å; D272-K275 WeakPolarHBondContact O-CB 3.31Å; D272-K275 PolarHBondContact O-N 3.23Å; D272-K275 WeakPolarHBondContact OD2-CE 3.32Å; D272-K275 IonicContact OD2-NZ 2.95Å; E273-K275 PolarHBondContact O-N 2.72Å; K275-K278 WeakPolarHBondContact O-CB 3.42Å; K275-K278 PolarHBondContact O-N 2.9Å; K275-V296 WeakPolarHBondContact O-CG1 3.49Å
276	I	95	Very high	95.5	Very high	23 Å²	23	69.2 Å²	69.2	12%	0.118	32%	0.324	C	S	.	.	H	α-helix	trans	-63.6	-42	-179.9	-60.7	162.4	0	0	0	110.6	D272 E273 K278 R279 H298	D272-I276 WeakPolarHBondContact O-CG1 3.28Å; D272-I276 PolarHBondContact O-N 2.76Å; D272-I276 VanDerWaalsContact O-N 3.13Å; E273-I276 PolarHBondContact O-N 2.89Å; I276-K278 PolarHBondContact O-N 2.87Å; I276-R279 PolarHBondContact O-N 3.42Å; I276-H298 HydrophobicContact CD1-CB 3.95Å; I276-H298 HydrophobicContact CG2-CB 4.4Å
277	Q	94.6	Very high	95.2	Very high	139 Å²	139	74.6 Å²	74.6	65%	0.65	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-20.3	177.6	-75.8	177	6.7	0	0	114.3	E273 R279	E273-Q277 WeakPolarHBondContact O-CB 3.42Å; E273-Q277 VanDerWaalsContact O-CG 3.26Å; E273-Q277 WeakPolarHBondContact O-CG 3.32Å; E273-Q277 PolarHBondContact O-N 2.93Å; Q277-R279 PolarHBondContact O-N 2.82Å
278	K	93.1	Very high	94.9	Very high	131 Å²	131	77.7 Å²	77.7	57%	0.57	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-17.2	174.7	-62.1	-177	-179.6	-176.9	0	112.8	K275 I276 F280	K275-K278 WeakPolarHBondContact O-CB 3.42Å; K275-K278 PolarHBondContact O-N 2.9Å; I276-K278 PolarHBondContact O-N 2.87Å; K278-F280 PolarHBondContact O-N 2.96Å
279	R	95.1	Very high	94.6	Very high	188 Å²	188	88.4 Å²	88.4	71%	0.709	40%	0.401	S	S	*	.			trans	61.3	-36.2	179.9	-57.9	-176.7	178.3	-173.5	-2	116.1	I276 Q277 P295 V296	I276-R279 PolarHBondContact O-N 3.42Å; Q277-R279 PolarHBondContact O-N 2.82Å; R279-P295 CarbonylContact O-C 3.45Å; R279-P295 WeakPolarHBondContact O-CA 3.49Å; R279-V296 PolarHBondContact O-N 3.23Å
280	F	97	Very high	94.3	Very high	119 Å²	119	94.3 Å²	94.3	52%	0.522	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	150	-178.6	-59.8	-86.1	0	0	0	111.4	K278 V294 P295	K278-F280 PolarHBondContact O-N 2.96Å; F280-V294 CarbonylContact C-O 3.54Å; F280-V294 WeakPolarHBondContact CA-O 3.38Å; F280-P295 HydrophobicContact CD1-CB 4.16Å; F280-P295 HydrophobicContact CE1-CB 4.06Å
281	Y	97.3	Very high	94.3	Very high	17 Å²	17	97.1 Å²	97.1	7%	0.067	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	125.9	161.8	167.6	-104	0	0	0	109	R251 Y254 R255 F268 T293 V294	R251-Y281 HydrophobicContact CB-CE2 4.3Å; R251-Y281 HydrophobicContact CG-CD2 3.94Å; R251-Y281 HydrophobicContact CG-CE2 3.78Å; R251-Y281 HydrophobicContact CG-CG 4.41Å; Y254-Y281 AromaticContact CD1-CE1 3.85Å; Y254-Y281 HydrophobicContact CD1-CE1 3.85Å; Y254-Y281 HydrophobicContact CE1-CE1 4.13Å; R255-Y281 PolarHBondContact NH1-OH 2.94Å; F268-Y281 HydrophobicContact CD2-CD1 4.37Å; F268-Y281 HydrophobicContact CD2-CG 4.48Å; F268-Y281 AromaticContact CE2-CD1 3.51Å; F268-Y281 HydrophobicContact CE2-CD1 3.51Å; F268-Y281 HydrophobicContact CE2-CE1 4.27Å; F268-Y281 AromaticContact CE2-CG 3.98Å; F268-Y281 HydrophobicContact CE2-CG 3.98Å; F268-Y281 HydrophobicContact CZ-CD1 4.06Å; F268-Y281 HydrophobicContact CZ-CE1 4.43Å; Y281-T293 CarbonylContact O-C 3.57Å; Y281-T293 VanDerWaalsContact O-CA 3.31Å; Y281-T293 WeakPolarHBondContact O-CA 3.35Å; Y281-V294 PolarHBondContact N-O 3.03Å; Y281-V294 PolarHBondContact O-N 2.81Å
282	T	96.9	Very high	94.3	Very high	48 Å²	48	94.9 Å²	94.9	29%	0.294	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.8	173	-52.4	0	0	0	0	109.8	E284 K291 T293	T282-E284 WeakPolarHBondContact CB-OE1 3.37Å; T282-E284 VanDerWaalsContact CG2-OE1 3.28Å; T282-E284 WeakPolarHBondContact CG2-OE1 3.26Å; T282-E284 PolarHBondContact O-N 2.97Å; T282-E284 VanDerWaalsContact O-N 3.15Å; T282-K291 HydrophobicContact CG2-CB 3.81Å; T282-T293 HydrophobicContact CG2-CG2 4.09Å
283	Y	96.4	Very high	94.5	Very high	35 Å²	35	96.3 Å²	96.3	14%	0.137	45%	0.449	C	S	.	.			trans	-84.9	84.6	174.2	-174.5	-160.9	0	0	0	111	Y254 R255 E285 S286 P292	Y254-Y283 HydrophobicContact CD1-CD1 4.4Å; Y254-Y283 AromaticContact CE1-CD1 3.72Å; Y254-Y283 HydrophobicContact CE1-CD1 3.72Å; Y254-Y283 HydrophobicContact CE1-CG 4Å; R255-Y283 HydrophobicContact CB-CE2 4.24Å; R255-Y283 HydrophobicContact CG-CD2 3.85Å; R255-Y283 HydrophobicContact CG-CE1 4.3Å; R255-Y283 HydrophobicContact CG-CE2 3.38Å; R255-Y283 HydrophobicContact CG-CG 4.5Å; Y283-E285 VanDerWaalsContact C-N 3.29Å; Y283-E285 HydrophobicContact CD2-CB 4.31Å; Y283-E285 HydrophobicContact CE2-CB 3.68Å; Y283-E285 WeakPolarHBondContact CE2-OE2 3.28Å; Y283-E285 PolarHBondContact O-N 2.95Å; Y283-S286 VanDerWaalsContact O-CB 3.3Å; Y283-S286 WeakPolarHBondContact O-CB 3.38Å; Y283-S286 PolarHBondContact O-N 2.93Å; Y283-S286 VanDerWaalsContact O-N 3.09Å; Y283-P292 PolarHBondContact N-O 2.98Å
284	E	94.9	Very high	94.7	Very high	124 Å²	124	92 Å²	92	58%	0.579	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-34.1	-172.7	-62.3	-59.6	164.5	0	0	114.1	T282 S286 K291	T282-E284 WeakPolarHBondContact CB-OE1 3.37Å; T282-E284 VanDerWaalsContact CG2-OE1 3.28Å; T282-E284 WeakPolarHBondContact CG2-OE1 3.26Å; T282-E284 PolarHBondContact O-N 2.97Å; T282-E284 VanDerWaalsContact O-N 3.15Å; E284-S286 VanDerWaalsContact C-N 3.27Å; E284-S286 PolarHBondContact O-N 3.34Å; E284-K291 WeakPolarHBondContact O-CE 3.24Å; E284-K291 PolarHBondContact O-NZ 3.46Å
285	E	94	Very high	94.9	Very high	136 Å²	136	88.6 Å²	88.6	64%	0.636	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-6.5	-178.7	-57.5	138.8	178.6	0	0	112.7	R255 Y283	R255-E285 WeakPolarHBondContact CD-OE2 3.34Å; Y283-E285 VanDerWaalsContact C-N 3.29Å; Y283-E285 HydrophobicContact CD2-CB 4.31Å; Y283-E285 HydrophobicContact CE2-CB 3.68Å; Y283-E285 WeakPolarHBondContact CE2-OE2 3.28Å; Y283-E285 PolarHBondContact O-N 2.95Å
286	S	92.1	Very high	95.1	Very high	11 Å²	11	86.7 Å²	86.7	8%	0.077	41%	0.406	C	S	.	.			trans	-62.4	143.4	177.6	-177.9	0	0	0	0	111.8	Y283 E284 E288 K291 P292	Y283-S286 VanDerWaalsContact O-CB 3.3Å; Y283-S286 WeakPolarHBondContact O-CB 3.38Å; Y283-S286 PolarHBondContact O-N 2.93Å; Y283-S286 VanDerWaalsContact O-N 3.09Å; E284-S286 VanDerWaalsContact C-N 3.27Å; E284-S286 PolarHBondContact O-N 3.34Å; S286-E288 VanDerWaalsContact C-N 3.32Å; S286-E288 PolarHBondContact OG-N 3.36Å; S286-E288 VanDerWaalsContact OG-N 3.17Å; S286-K291 PolarHBondContact O-NZ 2.7Å; S286-P292 VanDerWaalsContact CB-CD 3.4Å; S286-P292 WeakPolarHBondContact OG-CD 3.43Å
287	K	92	Very high	95.3	Very high	207 Å²	207	88.1 Å²	88.1	90%	0.9	41%	0.413	S	S	*	.			trans	-81	-12.3	173.7	-64.8	-178.1	-179.7	178.7	0	113.1
288	E	91.9	Very high	95.4	Very high	69 Å²	69	83.2 Å²	83.2	32%	0.322	39%	0.39	S	S	.	.	S	Bend	trans	-67.5	148.9	179.8	-70.1	177.5	-92.3	0	0	112.5	L259 S286 P290 P292	L259-E288 WeakPolarHBondContact CD1-OE1 3.35Å; S286-E288 VanDerWaalsContact C-N 3.32Å; S286-E288 PolarHBondContact OG-N 3.36Å; S286-E288 VanDerWaalsContact OG-N 3.17Å; E288-P290 CarbonylContact C-O 3.53Å; E288-P290 CarbonylContact O-C 3.6Å; E288-P292 HydrophobicContact CB-CG 4.2Å
289	R	91.8	Very high	95.5	Very high	225 Å²	225	77.9 Å²	77.9	85%	0.849	37%	0.367	S	S	*	.	S	Bend	trans	-131.7	122.5	173.1	-65.8	-160.5	-176.8	-113.6	4.7	109.9
290	P	92.1	Very high	95.5	Very high	123 Å²	123	75.7 Å²	75.7	80%	0.799	36%	0.362	S	S	*	.	S	Bend	cis	-62.7	159.2	-3.6	29.6	-35.8	0	0	0	112.5	E288	E288-P290 CarbonylContact C-O 3.53Å; E288-P290 CarbonylContact O-C 3.6Å
291	K	95.4	Very high	95.4	Very high	67 Å²	67	76.5 Å²	76.5	29%	0.291	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-60	138.8	177.4	-64.9	-71.8	-179.2	164.6	0	109.1	T282 E284 S286 T293	T282-K291 HydrophobicContact CG2-CB 3.81Å; E284-K291 WeakPolarHBondContact O-CE 3.24Å; E284-K291 PolarHBondContact O-NZ 3.46Å; S286-K291 PolarHBondContact O-NZ 2.7Å; K291-T293 PolarHBondContact O-N 3.33Å
292	P	95.7	Very high	95.4	Very high	22 Å²	22	76.2 Å²	76.2	14%	0.143	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-60	132.6	177.2	-22.6	34.2	0	0	0	110.5	Y283 S286 E288	Y283-P292 PolarHBondContact N-O 2.98Å; S286-P292 VanDerWaalsContact CB-CD 3.4Å; S286-P292 WeakPolarHBondContact OG-CD 3.43Å; E288-P292 HydrophobicContact CB-CG 4.2Å
293	T	97.1	Very high	95.3	Very high	86 Å²	86	78 Å²	78	53%	0.528	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	137.8	174.4	56.3	0	0	0	0	108.9	Y281 T282 K291	Y281-T293 CarbonylContact O-C 3.57Å; Y281-T293 VanDerWaalsContact O-CA 3.31Å; Y281-T293 WeakPolarHBondContact O-CA 3.35Å; T282-T293 HydrophobicContact CG2-CG2 4.09Å; K291-T293 PolarHBondContact O-N 3.33Å
294	V	98.1	Very high	95.2	Very high	6 Å²	6	77.7 Å²	77.7	4%	0.036	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.8	-179.3	-177.1	0	0	0	0	108	Y254 V265 F268 F280 Y281	Y254-V294 HydrophobicContact CD2-CG2 4.39Å; Y254-V294 HydrophobicContact CE2-CG2 3.65Å; V265-V294 HydrophobicContact CG1-CG1 3.91Å; F268-V294 HydrophobicContact CD2-CB 3.88Å; F268-V294 HydrophobicContact CD2-CG1 3.55Å; F268-V294 HydrophobicContact CE2-CB 3.82Å; F268-V294 HydrophobicContact CE2-CG1 3.79Å; F268-V294 HydrophobicContact CE2-CG2 4.24Å; F280-V294 CarbonylContact C-O 3.54Å; F280-V294 WeakPolarHBondContact CA-O 3.38Å; Y281-V294 PolarHBondContact N-O 3.03Å; Y281-V294 PolarHBondContact O-N 2.81Å
295	P	98.3	Very high	95.4	Very high	40 Å²	40	73.1 Å²	73.1	26%	0.26	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	149.2	179.5	26.4	-33.7	0	0	0	111.4	K266 A267 F268 R279 F280 L297	K266-P295 VanDerWaalsContact O-CD 3.27Å; K266-P295 WeakPolarHBondContact O-CD 3.46Å; K266-P295 WeakPolarHBondContact O-CG 3.5Å; A267-P295 CarbonylContact C-O 3.56Å; A267-P295 WeakPolarHBondContact CA-O 3.41Å; A267-P295 HydrophobicContact CB-CG 4.01Å; F268-P295 PolarHBondContact N-O 2.95Å; R279-P295 CarbonylContact O-C 3.45Å; R279-P295 WeakPolarHBondContact O-CA 3.49Å; F280-P295 HydrophobicContact CD1-CB 4.16Å; F280-P295 HydrophobicContact CE1-CB 4.06Å; P295-L297 HydrophobicContact CB-CD2 4.32Å
296	V	98.4	Very high	95.6	Very high	5 Å²	5	66.8 Å²	66.8	3%	0.03	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	112.4	173.5	-174.9	0	0	0	0	107.5	A246 F268 K275 R279	A246-V296 HydrophobicContact CB-CG1 3.57Å; A246-V296 HydrophobicContact CB-CG2 4.47Å; F268-V296 HydrophobicContact CB-CG2 4.28Å; F268-V296 WeakPolarHBondContact O-CA 3.44Å; K275-V296 WeakPolarHBondContact O-CG1 3.49Å; R279-V296 PolarHBondContact O-N 3.23Å
297	L	98.1	Very high	95.9	Very high	53 Å²	53	66.2 Å²	66.2	28%	0.277	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	157.3	-174.2	-55.4	179	0	0	0	111.3	A267 F268 C269 D270 P295 A302	A267-L297 HydrophobicContact CB-CD1 3.76Å; A267-L297 HydrophobicContact CB-CG 4.07Å; F268-L297 PolarHBondContact O-N 2.91Å; C269-L297 VanDerWaalsContact CA-O 3.26Å; C269-L297 WeakPolarHBondContact CA-O 3.36Å; D270-L297 PolarHBondContact N-O 3.43Å; P295-L297 HydrophobicContact CB-CD2 4.32Å; L297-A302 HydrophobicContact CB-CB 4.49Å; L297-A302 HydrophobicContact CD1-CB 4.47Å
298	H	97.1	Very high	96.1	Very high	35 Å²	35	56.4 Å²	56.4	16%	0.162	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	140.5	161.9	-175.8	-86.1	0	0	0	109.1	E273 I276 K300 E301 A302	E273-H298 IonicContact OE1-CD2 3.88Å; I276-H298 HydrophobicContact CD1-CB 3.95Å; I276-H298 HydrophobicContact CG2-CB 4.4Å; H298-K300 PolarHBondContact ND1-N 3.1Å; H298-K300 PolarHBondContact O-N 3.29Å; H298-K300 VanDerWaalsContact O-N 3.1Å; H298-E301 HydrophobicContact CB-CG 4.38Å; H298-E301 PolarHBondContact O-N 2.93Å; H298-A302 PolarHBondContact O-N 3.13Å
299	Y	95.2	Very high	96.3	Very high	20 Å²	20	53.2 Å²	53.2	8%	0.078	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-56	-32.6	-173.4	78.8	-77.8	0	0	0	114.6	W244 D270 V271 E301 A302 N322 L326	W244-Y299 AromaticContact CH2-CD2 3.6Å; W244-Y299 HydrophobicContact CH2-CD2 3.6Å; W244-Y299 HydrophobicContact CH2-CE2 4.43Å; W244-Y299 HydrophobicContact CH2-CG 4.24Å; W244-Y299 VanDerWaalsContact CZ2-CB 3.49Å; W244-Y299 AromaticContact CZ2-CD2 3.46Å; W244-Y299 HydrophobicContact CZ2-CD2 3.46Å; W244-Y299 VanDerWaalsContact CZ2-CD2 3.46Å; W244-Y299 HydrophobicContact CZ2-CE2 4.38Å; W244-Y299 AromaticContact CZ2-CG 3.68Å; W244-Y299 HydrophobicContact CZ2-CG 3.68Å; D270-Y299 PolarHBondContact O-N 2.96Å; D270-Y299 VanDerWaalsContact O-N 3.09Å; V271-Y299 HydrophobicContact CG1-CD1 3.61Å; V271-Y299 HydrophobicContact CG1-CE1 3.93Å; V271-Y299 HydrophobicContact CG1-CG 4.14Å; Y299-E301 VanDerWaalsContact C-N 3.26Å; Y299-E301 PolarHBondContact O-N 3.44Å; Y299-A302 PolarHBondContact O-N 3.49Å; Y299-N322 HydrophobicContact CD2-CB 4.22Å; Y299-N322 HydrophobicContact CE2-CB 3.69Å; Y299-N322 WeakPolarHBondContact CE2-OD1 3.37Å; Y299-N322 PolarHBondContact OH-OD1 3.22Å; Y299-L326 HydrophobicContact CD2-CD1 3.99Å; Y299-L326 HydrophobicContact CE2-CD1 4.45Å
300	K	95.4	Very high	96.2	Very high	141 Å²	141	43.8 Å²	43.8	61%	0.613	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-68.1	-21.4	176.2	-65.8	179.7	-175.3	179.6	0	114.4	H298	H298-K300 PolarHBondContact ND1-N 3.1Å; H298-K300 PolarHBondContact O-N 3.29Å; H298-K300 VanDerWaalsContact O-N 3.1Å
301	E	95.7	Very high	95.7	Very high	136 Å²	136	42.3 Å²	42.3	64%	0.636	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-95.7	-10.3	-179.7	-59.6	175.2	170.3	0	0	111.7	H298 Y299	H298-E301 HydrophobicContact CB-CG 4.38Å; H298-E301 PolarHBondContact O-N 2.93Å; Y299-E301 VanDerWaalsContact C-N 3.26Å; Y299-E301 PolarHBondContact O-N 3.44Å
302	A	95.8	Very high	94.6	Very high	12 Å²	12	40 Å²	40	10%	0.099	22%	0.217	C	C	.	.			trans	-84.3	145.6	-177	0	0	0	0	0	111.7	T242 C269 L297 H298 Y299 F306	T242-A302 HydrophobicContact CG2-CB 4.12Å; C269-A302 HydrophobicContact CB-CB 3.55Å; L297-A302 HydrophobicContact CB-CB 4.49Å; L297-A302 HydrophobicContact CD1-CB 4.47Å; H298-A302 PolarHBondContact O-N 3.13Å; Y299-A302 PolarHBondContact O-N 3.49Å; A302-F306 HydrophobicContact CB-CE1 3.92Å; A302-F306 HydrophobicContact CB-CZ 4.46Å
303	T	96.1	Very high	93.4	Very high	84 Å²	84	42.9 Å²	42.9	52%	0.515	23%	0.231	S	C	.	.			trans	-108.6	142.5	177.8	60.5	0	0	0	0	111.4	T242 F306	T242-T303 WeakPolarHBondContact CB-O 3.34Å; T242-T303 PolarHBondContact OG1-O 3.22Å; T303-F306 VanDerWaalsContact C-CZ 3.45Å
304	G	95.1	Very high	92.2	Very high	29 Å²	29	45.1 Å²	45.1	30%	0.299	24%	0.237	S	C	.	.	S	Bend	trans	-76.1	-177.9	176.4	0	0	0	0	0	114.3	F306	G304-F306 VanDerWaalsContact N-CE2 3.34Å; G304-F306 VanDerWaalsContact N-CZ 3.28Å
305	P	97.9	Very high	91.1	Very high	28 Å²	28	46.8 Å²	46.8	18%	0.182	25%	0.247	C	C	.	.	S	Bend	cis	-70.7	160.4	-1.4	30.9	-36.3	0	0	0	112.6	W238 N240 F241 T242 D333	W238-P305 HydrophobicContact CB-CG 4.35Å; W238-P305 HydrophobicContact CD2-CB 3.93Å; W238-P305 HydrophobicContact CD2-CG 3.4Å; W238-P305 HydrophobicContact CE3-CB 4.01Å; W238-P305 HydrophobicContact CE3-CG 3.59Å; W238-P305 HydrophobicContact CG-CG 3.77Å; W238-P305 HydrophobicContact CH2-CB 3.62Å; W238-P305 HydrophobicContact CH2-CG 4.16Å; W238-P305 HydrophobicContact CZ2-CB 3.56Å; W238-P305 HydrophobicContact CZ2-CG 4.03Å; W238-P305 HydrophobicContact CZ3-CB 3.84Å; W238-P305 HydrophobicContact CZ3-CG 3.95Å; N240-P305 WeakPolarHBondContact O-CD 3.29Å; F241-P305 VanDerWaalsContact CA-O 3.31Å; F241-P305 WeakPolarHBondContact CA-O 3.44Å; F241-P305 HydrophobicContact CB-CG 4.24Å; F241-P305 VanDerWaalsContact CB-O 3.32Å; F241-P305 WeakPolarHBondContact CB-O 2.99Å; T242-P305 PolarHBondContact N-O 3.27Å; P305-D333 CarbonylContact C-O 3.25Å; P305-D333 WeakPolarHBondContact CA-O 3.38Å; P305-D333 WeakPolarHBondContact CB-O 3.43Å
306	F	98.3	Very high	90.1	Very high	3 Å²	3	48.5 Å²	48.5	1%	0.013	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	140.6	-172.1	-58.5	-88.6	0	0	0	113.5	T242 W244 A302 T303 G304 I308 L328 D333 Y334 Y335	T242-F306 HydrophobicContact CG2-CD1 3.8Å; T242-F306 HydrophobicContact CG2-CE1 3.86Å; T242-F306 CarbonylContact O-C 3.54Å; T242-F306 WeakPolarHBondContact O-CA 3.19Å; W244-F306 HydrophobicContact CE3-CD1 4.19Å; W244-F306 HydrophobicContact CE3-CG 4.38Å; A302-F306 HydrophobicContact CB-CE1 3.92Å; A302-F306 HydrophobicContact CB-CZ 4.46Å; T303-F306 VanDerWaalsContact C-CZ 3.45Å; G304-F306 VanDerWaalsContact N-CE2 3.34Å; G304-F306 VanDerWaalsContact N-CZ 3.28Å; F306-I308 HydrophobicContact CB-CG1 4.39Å; F306-L328 HydrophobicContact CD2-CD1 3.71Å; F306-L328 HydrophobicContact CD2-CD2 4.31Å; F306-L328 HydrophobicContact CE2-CD1 3.56Å; F306-L328 HydrophobicContact CE2-CD2 3.88Å; F306-L328 HydrophobicContact CE2-CG 4.4Å; F306-L328 HydrophobicContact CZ-CD1 4.46Å; F306-D333 PolarHBondContact N-O 3.35Å; F306-Y334 CarbonylContact O-C 3.54Å; F306-Y334 WeakPolarHBondContact O-CA 3.38Å; F306-Y334 WeakPolarHBondContact O-CB 3.46Å; F306-Y335 PolarHBondContact O-N 3.17Å
307	I	98.3	Very high	89.4	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	116.2	159	-58.7	-58.1	0	0	0	108.8	L230 V234 L235 W238 F241 T242 W244 L253 F337	L230-I307 HydrophobicContact CD1-CD1 3.98Å; L230-I307 HydrophobicContact CD2-CD1 4.25Å; L230-I307 HydrophobicContact CD2-CG1 4.46Å; L230-I307 HydrophobicContact CD2-CG2 4.18Å; V234-I307 HydrophobicContact CG1-CD1 4.36Å; L235-I307 HydrophobicContact CD2-CD1 3.91Å; L235-I307 HydrophobicContact CD2-CG1 3.88Å; W238-I307 HydrophobicContact CH2-CD1 3.89Å; W238-I307 HydrophobicContact CZ3-CD1 3.5Å; W238-I307 VanDerWaalsContact CZ3-CD1 3.5Å; W238-I307 HydrophobicContact CZ3-CG1 3.99Å; F241-I307 HydrophobicContact CD2-CB 4.36Å; F241-I307 HydrophobicContact CD2-CG1 3.71Å; F241-I307 HydrophobicContact CE2-CB 4.44Å; F241-I307 HydrophobicContact CE2-CG1 3.85Å; T242-I307 PolarHBondContact O-N 3.19Å; W244-I307 PolarHBondContact N-O 3.12Å; L253-I307 HydrophobicContact CD2-CB 4.3Å; L253-I307 HydrophobicContact CD2-CG2 3.48Å; L253-I307 VanDerWaalsContact CD2-CG2 3.48Å; I307-F337 HydrophobicContact CG2-CB 3.59Å; I307-F337 HydrophobicContact CG2-CG 4.42Å
308	I	96.9	Very high	88.9	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	111.1	-175	-56.8	-179.5	0	0	0	110	W244 F306 V310 L319 L323 Y334 Y335 F337	W244-I308 HydrophobicContact CB-CG1 4.23Å; W244-I308 HydrophobicContact CE3-CD1 4.45Å; W244-I308 HydrophobicContact CE3-CG1 4.39Å; F306-I308 HydrophobicContact CB-CG1 4.39Å; I308-V310 HydrophobicContact CG2-CB 4Å; I308-V310 HydrophobicContact CG2-CG2 4.23Å; I308-L319 HydrophobicContact CG2-CD1 4.25Å; I308-L319 HydrophobicContact CG2-CD2 4.07Å; I308-L323 HydrophobicContact CD1-CD1 3.95Å; I308-L323 HydrophobicContact CD1-CD2 3.5Å; I308-L323 HydrophobicContact CD1-CG 4.32Å; I308-Y334 HydrophobicContact CD1-CD2 3.29Å; I308-Y334 HydrophobicContact CD1-CE2 3.84Å; I308-Y334 HydrophobicContact CD1-CG 3.72Å; I308-Y334 HydrophobicContact CG1-CD2 4.12Å; I308-Y334 HydrophobicContact CG1-CG 4.46Å; I308-Y335 PolarHBondContact N-O 3.35Å; I308-F337 CarbonylContact O-C 3.47Å; I308-F337 PolarHBondContact O-N 2.89Å
309	C	95.8	Very high	88.6	Confident	3 Å²	3	48.9 Å²	48.9	2%	0.02	28%	0.284	C	S	.	.			trans	-103.1	28.2	177.4	-63.2	0	0	0	0	112.9	W244 N245 Q249 L253 F337	W244-C309 PolarHBondContact O-N 3.23Å; N245-C309 HydrophobicContact CB-CB 3.72Å; Q249-C309 HydrophobicContact CB-CB 4.15Å; L253-C309 VanDerWaalsContact CD2-SG 3.54Å; C309-F337 VanDerWaalsContact CA-O 3.31Å; C309-F337 WeakPolarHBondContact CA-O 3.4Å; C309-F337 PolarHBondContact SG-O 3.09Å; C309-F337 VanDerWaalsContact SG-O 3.38Å
310	V	90.1	Very high	88.3	Confident	26 Å²	26	50.9 Å²	50.9	16%	0.158	29%	0.294	C	S	.	.	S	Bend	trans	-94.7	135.6	173.9	-176.4	0	0	0	0	108.8	N245 I308 L312 T315 L319 N338	N245-V310 HydrophobicContact CB-CG2 4.4Å; I308-V310 HydrophobicContact CG2-CB 4Å; I308-V310 HydrophobicContact CG2-CG2 4.23Å; V310-L312 PolarHBondContact O-N 3.3Å; V310-T315 HydrophobicContact CG1-CG2 3.71Å; V310-L319 HydrophobicContact CB-CD2 4.01Å; V310-L319 HydrophobicContact CG1-CD2 4.06Å; V310-N338 VanDerWaalsContact O-CB 3.31Å; V310-N338 WeakPolarHBondContact O-CB 3.44Å; V310-N338 PolarHBondContact O-ND2 2.66Å
311	K	81.5	Confident	88.1	Confident	93 Å²	93	50.1 Å²	50.1	40%	0.404	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-67.5	122.2	178.1	-76.1	-176.8	172.5	-172.1	0	110	M314	K311-M314 HydrophobicContact CB-CB 4.14Å; K311-M314 HydrophobicContact CB-CG 3.95Å; K311-M314 HydrophobicContact CB-SD 3.84Å; K311-M314 HydrophobicContact CD-CG 4.39Å; K311-M314 HydrophobicContact CD-SD 3.26Å; K311-M314 WeakPolarHBondContact CD-SD 3.15Å; K311-M314 HydrophobicContact CG-SD 4.19Å; K311-M314 PolarHBondContact O-N 3.05Å
312	L	72.4	Confident	88	Confident	19 Å²	19	44.6 Å²	44.6	10%	0.099	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	140.5	170.4	-72.3	158.6	0	0	0	109.4	R129 V310 M314 N338	R129-L312 VanDerWaalsContact CZ-O 3.3Å; R129-L312 PolarHBondContact NE-O 3.09Å; R129-L312 VanDerWaalsContact NE-O 3.08Å; R129-L312 PolarHBondContact NH2-O 3.12Å; V310-L312 PolarHBondContact O-N 3.3Å; L312-M314 VanDerWaalsContact C-N 3.28Å; L312-M314 PolarHBondContact O-N 3.29Å; L312-N338 VanDerWaalsContact CD1-ND2 3.29Å; L312-N338 WeakPolarHBondContact CD1-ND2 3.4Å; L312-N338 WeakPolarHBondContact CG-ND2 3.3Å; L312-N338 PolarHBondContact N-ND2 3.39Å; L312-N338 VanDerWaalsContact N-ND2 3.16Å
313	D	70.4	Confident	87.8	Confident	82 Å²	82	44.2 Å²	44.2	44%	0.439	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.9	-3	179.5	-40.8	-46.1	0	0	0	117.5	R129	R129-D313 IonicContact NE-OD2 2.95Å
314	M	71	Confident	87.6	Confident	132 Å²	132	45.9 Å²	45.9	65%	0.65	27%	0.27	S	S	*	.	S	Bend	trans	-92.6	-6.6	177.2	-72	-163.7	73.6	0	0	113.9	K311 L312	K311-M314 HydrophobicContact CB-CB 4.14Å; K311-M314 HydrophobicContact CB-CG 3.95Å; K311-M314 HydrophobicContact CB-SD 3.84Å; K311-M314 HydrophobicContact CD-CG 4.39Å; K311-M314 HydrophobicContact CD-SD 3.26Å; K311-M314 WeakPolarHBondContact CD-SD 3.15Å; K311-M314 HydrophobicContact CG-SD 4.19Å; K311-M314 PolarHBondContact O-N 3.05Å; L312-M314 VanDerWaalsContact C-N 3.28Å; L312-M314 PolarHBondContact O-N 3.29Å
315	T	75.8	Confident	87.5	Confident	41 Å²	41	48.1 Å²	48.1	25%	0.252	29%	0.285	S	S	.	.	S	Bend	trans	-99.1	-3.7	-176.9	49.1	0	0	0	0	113	V310 G317 V318 L319	V310-T315 HydrophobicContact CG1-CG2 3.71Å; T315-G317 PolarHBondContact O-N 2.68Å; T315-V318 WeakPolarHBondContact O-CB 3.4Å; T315-V318 VanDerWaalsContact O-CG2 3.25Å; T315-V318 WeakPolarHBondContact O-CG2 3.31Å; T315-V318 PolarHBondContact O-N 3.44Å; T315-L319 HydrophobicContact CG2-CB 4.07Å
316	G	77.2	Confident	87.3	Confident	76 Å²	76	49.5 Å²	49.5	78%	0.784	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	30.3	-177.4	0	0	0	0	0	113.8
317	G	83.3	Confident	87.1	Confident	27 Å²	27	57.4 Å²	57.4	28%	0.278	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.6	-12.3	-178.2	0	0	0	0	0	115	T315 L319 E320 E321	T315-G317 PolarHBondContact O-N 2.68Å; G317-L319 VanDerWaalsContact C-N 3.28Å; G317-L319 PolarHBondContact O-N 2.85Å; G317-E320 WeakPolarHBondContact CA-OE2 3.39Å; G317-E320 WeakPolarHBondContact O-CB 3.27Å; G317-E320 PolarHBondContact O-N 3.47Å; G317-E320 VanDerWaalsContact O-N 3.16Å; G317-E321 WeakPolarHBondContact O-CG 3.41Å; G317-E321 PolarHBondContact O-N 2.78Å
318	V	88.1	Confident	87	Confident	69 Å²	69	58.9 Å²	58.9	42%	0.418	34%	0.335	S	S	.	.	H	α-helix	trans	-63.3	-32.5	-175.4	174.1	0	0	0	0	112.7	T315 N322	T315-V318 WeakPolarHBondContact O-CB 3.4Å; T315-V318 VanDerWaalsContact O-CG2 3.25Å; T315-V318 WeakPolarHBondContact O-CG2 3.31Å; T315-V318 PolarHBondContact O-N 3.44Å; V318-N322 WeakPolarHBondContact O-CB 3.34Å; V318-N322 PolarHBondContact O-N 2.99Å; V318-N322 VanDerWaalsContact O-N 3.1Å; V318-N322 PolarHBondContact O-ND2 3.06Å
319	L	90.1	Very high	86.9	Confident	6 Å²	6	66.5 Å²	66.5	3%	0.031	36%	0.364	C	S	.	.	H	α-helix	trans	-67.7	-46.8	177	175.5	64.2	0	0	0	110	W244 I308 V310 T315 G317 N322 L323	W244-L319 HydrophobicContact CZ2-CD1 4.46Å; I308-L319 HydrophobicContact CG2-CD1 4.25Å; I308-L319 HydrophobicContact CG2-CD2 4.07Å; V310-L319 HydrophobicContact CB-CD2 4.01Å; V310-L319 HydrophobicContact CG1-CD2 4.06Å; T315-L319 HydrophobicContact CG2-CB 4.07Å; G317-L319 VanDerWaalsContact C-N 3.28Å; G317-L319 PolarHBondContact O-N 2.85Å; L319-N322 WeakPolarHBondContact O-CB 3.38Å; L319-N322 PolarHBondContact O-N 2.77Å; L319-N322 VanDerWaalsContact O-N 3.16Å; L319-L323 HydrophobicContact CD1-CD1 4.3Å; L319-L323 HydrophobicContact CD1-CG 4.34Å; L319-L323 HydrophobicContact CG-CD1 4.01Å; L319-L323 HydrophobicContact CG-CG 4.46Å; L319-L323 VanDerWaalsContact O-CG 3.29Å; L319-L323 WeakPolarHBondContact O-CG 3.34Å; L319-L323 PolarHBondContact O-N 3.48Å
320	E	89.4	Confident	86.8	Confident	61 Å²	61	68.2 Å²	68.2	29%	0.285	37%	0.372	S	S	.	.	H	α-helix	trans	-61.9	-43.4	-179.8	-64.1	73.1	-167.5	0	0	110.8	G317 N322 L323 N324	G317-E320 WeakPolarHBondContact CA-OE2 3.39Å; G317-E320 WeakPolarHBondContact O-CB 3.27Å; G317-E320 PolarHBondContact O-N 3.47Å; G317-E320 VanDerWaalsContact O-N 3.16Å; E320-N322 VanDerWaalsContact C-N 3.34Å; E320-N322 PolarHBondContact O-N 3.1Å; E320-L323 PolarHBondContact O-N 2.95Å; E320-N324 WeakPolarHBondContact O-CB 3.31Å; E320-N324 PolarHBondContact O-N 3.17Å; E320-N324 PolarHBondContact O-ND2 2.96Å
321	E	90.9	Very high	87	Confident	126 Å²	126	68 Å²	68	59%	0.589	37%	0.374	S	S	*	.	H	α-helix	trans	-58.7	-43.8	172.3	-72.9	174.5	-178	0	0	112.2	G317 N324 A325	G317-E321 WeakPolarHBondContact O-CG 3.41Å; G317-E321 PolarHBondContact O-N 2.78Å; E321-N324 PolarHBondContact O-N 2.76Å; E321-A325 WeakPolarHBondContact O-CB 3.13Å; E321-A325 PolarHBondContact O-N 2.6Å
322	N	92.9	Very high	87.6	Confident	19 Å²	19	67.2 Å²	67.2	10%	0.102	38%	0.378	C	S	.	.	H	α-helix	trans	-66.7	-40.1	178.2	-73.9	-34.3	0	0	0	112.7	W244 Y299 V318 L319 E320 N324 A325 L326	W244-N322 HydrophobicContact CH2-CB 4.05Å; W244-N322 HydrophobicContact CZ2-CB 4.14Å; Y299-N322 HydrophobicContact CD2-CB 4.22Å; Y299-N322 HydrophobicContact CE2-CB 3.69Å; Y299-N322 WeakPolarHBondContact CE2-OD1 3.37Å; Y299-N322 PolarHBondContact OH-OD1 3.22Å; V318-N322 WeakPolarHBondContact O-CB 3.34Å; V318-N322 PolarHBondContact O-N 2.99Å; V318-N322 VanDerWaalsContact O-N 3.1Å; V318-N322 PolarHBondContact O-ND2 3.06Å; L319-N322 WeakPolarHBondContact O-CB 3.38Å; L319-N322 PolarHBondContact O-N 2.77Å; L319-N322 VanDerWaalsContact O-N 3.16Å; E320-N322 VanDerWaalsContact C-N 3.34Å; E320-N322 PolarHBondContact O-N 3.1Å; N322-N324 VanDerWaalsContact C-N 3.35Å; N322-A325 PolarHBondContact O-N 2.93Å; N322-L326 WeakPolarHBondContact O-CG 3.42Å; N322-L326 PolarHBondContact O-N 3.38Å; N322-L326 VanDerWaalsContact O-N 3.11Å
323	L	92.7	Very high	88.8	Confident	5 Å²	5	68.4 Å²	68.4	3%	0.026	38%	0.384	C	S	.	.	H	α-helix	trans	-63.9	-42.5	175.6	-66.6	170.3	0	0	0	111.1	W244 I308 L319 E320 L326 Q327 L328 Y334	W244-L323 HydrophobicContact CE3-CD2 4.26Å; W244-L323 HydrophobicContact CH2-CD2 4.18Å; W244-L323 HydrophobicContact CZ3-CD2 3.62Å; I308-L323 HydrophobicContact CD1-CD1 3.95Å; I308-L323 HydrophobicContact CD1-CD2 3.5Å; I308-L323 HydrophobicContact CD1-CG 4.32Å; L319-L323 HydrophobicContact CD1-CD1 4.3Å; L319-L323 HydrophobicContact CD1-CG 4.34Å; L319-L323 HydrophobicContact CG-CD1 4.01Å; L319-L323 HydrophobicContact CG-CG 4.46Å; L319-L323 VanDerWaalsContact O-CG 3.29Å; L319-L323 WeakPolarHBondContact O-CG 3.34Å; L319-L323 PolarHBondContact O-N 3.48Å; E320-L323 PolarHBondContact O-N 2.95Å; L323-L326 CarbonylContact O-C 3.59Å; L323-L326 PolarHBondContact O-N 2.75Å; L323-Q327 PolarHBondContact O-N 2.79Å; L323-Q327 VanDerWaalsContact O-N 3.09Å; L323-L328 HydrophobicContact CD2-CD1 3.97Å; L323-L328 PolarHBondContact O-N 3.37Å; L323-L328 VanDerWaalsContact O-N 3.1Å; L323-Y334 HydrophobicContact CD1-CE1 4.4Å; L323-Y334 HydrophobicContact CD1-CE2 4.11Å; L323-Y334 HydrophobicContact CD2-CD1 4.24Å; L323-Y334 HydrophobicContact CD2-CE1 4.13Å; L323-Y334 HydrophobicContact CD2-CG 4.5Å
324	N	91.3	Very high	90	Very high	119 Å²	119	65.5 Å²	65.5	64%	0.636	37%	0.367	S	S	*	.	H	α-helix	trans	-64.6	-42.6	175.7	-71.8	-26.5	0	0	0	112.2	E320 E321 N322 L326 Q327	E320-N324 WeakPolarHBondContact O-CB 3.31Å; E320-N324 PolarHBondContact O-N 3.17Å; E320-N324 PolarHBondContact O-ND2 2.96Å; E321-N324 PolarHBondContact O-N 2.76Å; N322-N324 VanDerWaalsContact C-N 3.35Å; N324-L326 PolarHBondContact O-N 3.36Å; N324-Q327 PolarHBondContact O-N 2.87Å
325	A	92.6	Very high	91.3	Very high	76 Å²	76	61.1 Å²	61.1	63%	0.628	34%	0.344	S	S	*	.	H	α-helix	trans	-62.5	-33.1	177.6	0	0	0	0	0	112.5	E321 N322 Q327	E321-A325 WeakPolarHBondContact O-CB 3.13Å; E321-A325 PolarHBondContact O-N 2.6Å; N322-A325 PolarHBondContact O-N 2.93Å; A325-Q327 VanDerWaalsContact C-N 3.31Å
326	L	93.6	Very high	92.2	Very high	57 Å²	57	59.4 Å²	59.4	30%	0.298	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-1.2	174	-65.4	179.6	0	0	0	113.5	W244 Y299 N322 L323 N324 L328	W244-L326 HydrophobicContact CH2-CD1 3.84Å; W244-L326 HydrophobicContact CZ3-CD1 3.98Å; Y299-L326 HydrophobicContact CD2-CD1 3.99Å; Y299-L326 HydrophobicContact CE2-CD1 4.45Å; N322-L326 WeakPolarHBondContact O-CG 3.42Å; N322-L326 PolarHBondContact O-N 3.38Å; N322-L326 VanDerWaalsContact O-N 3.11Å; L323-L326 CarbonylContact O-C 3.59Å; L323-L326 PolarHBondContact O-N 2.75Å; N324-L326 PolarHBondContact O-N 3.36Å; L326-L328 HydrophobicContact CB-CD1 3.82Å; L326-L328 HydrophobicContact CB-CD2 4.37Å; L326-L328 HydrophobicContact CB-CG 3.64Å; L326-L328 HydrophobicContact CD1-CD1 3.87Å; L326-L328 PolarHBondContact O-N 3.4Å
327	Q	94.7	Very high	93	Very high	168 Å²	168	55.9 Å²	55.9	79%	0.785	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	33.2	-177.6	-56.8	-177.6	-8.3	0	0	113.6	L323 N324 A325	L323-Q327 PolarHBondContact O-N 2.79Å; L323-Q327 VanDerWaalsContact O-N 3.09Å; N324-Q327 PolarHBondContact O-N 2.87Å; A325-Q327 VanDerWaalsContact C-N 3.31Å
328	L	95.3	Very high	93	Very high	31 Å²	31	55.2 Å²	55.2	16%	0.162	29%	0.286	C	S	.	.			trans	-82	139.9	-177.8	-58.7	173.1	0	0	0	110.6	W244 F306 L323 L326 D333 Y334	W244-L328 HydrophobicContact CZ3-CD1 4.12Å; F306-L328 HydrophobicContact CD2-CD1 3.71Å; F306-L328 HydrophobicContact CD2-CD2 4.31Å; F306-L328 HydrophobicContact CE2-CD1 3.56Å; F306-L328 HydrophobicContact CE2-CD2 3.88Å; F306-L328 HydrophobicContact CE2-CG 4.4Å; F306-L328 HydrophobicContact CZ-CD1 4.46Å; L323-L328 HydrophobicContact CD2-CD1 3.97Å; L323-L328 PolarHBondContact O-N 3.37Å; L323-L328 VanDerWaalsContact O-N 3.1Å; L326-L328 HydrophobicContact CB-CD1 3.82Å; L326-L328 HydrophobicContact CB-CD2 4.37Å; L326-L328 HydrophobicContact CB-CG 3.64Å; L326-L328 HydrophobicContact CD1-CD1 3.87Å; L326-L328 PolarHBondContact O-N 3.4Å; L328-D333 HydrophobicContact CB-CB 4.07Å; L328-D333 HydrophobicContact CD2-CB 3.84Å; L328-Y334 HydrophobicContact CB-CD1 3.72Å; L328-Y334 HydrophobicContact CB-CE1 3.92Å
329	R	94.8	Very high	93.3	Very high	160 Å²	160	54.6 Å²	54.6	60%	0.604	28%	0.28	S	S	*	.			trans	-109.4	128.9	178.6	-60.6	175.5	-64.5	168.3	1.8	111.4	T332 D333 Y334	R329-T332 PolarHBondContact O-N 3.24Å; R329-D333 WeakPolarHBondContact CB-OD2 3.34Å; R329-D333 PolarHBondContact N-OD2 2.84Å; R329-D333 IonicContact NE-OD2 3.07Å; R329-D333 PolarHBondContact O-N 2.85Å; R329-Y334 VanDerWaalsContact C-CE1 3.45Å; R329-Y334 PolarHBondContact O-N 3.15Å
330	E	95.4	Very high	93.4	Very high	40 Å²	40	57.1 Å²	57.1	19%	0.187	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-58.3	140.6	174.8	-162.1	179	157.2	0	0	110.6	Q141 T144 Q145 T332 Y334 H336	Q141-E330 PolarHBondContact NE2-OE2 3.12Å; T144-E330 WeakPolarHBondContact CB-OE1 3.46Å; T144-E330 HydrophobicContact CG2-CG 4.5Å; T144-E330 VanDerWaalsContact OG1-CD 3.28Å; T144-E330 PolarHBondContact OG1-OE1 3.29Å; Q145-E330 WeakPolarHBondContact CG-OE1 3.46Å; Q145-E330 PolarHBondContact NE2-OE1 3.46Å; Q145-E330 VanDerWaalsContact NE2-OE1 3.15Å; Q145-E330 PolarHBondContact NE2-OE2 3.27Å; E330-T332 PolarHBondContact O-N 3.43Å; E330-Y334 HydrophobicContact CB-CE1 4.17Å; E330-Y334 HydrophobicContact CB-CE2 3.82Å; E330-Y334 HydrophobicContact CG-CD2 4.3Å; E330-Y334 HydrophobicContact CG-CE2 3.71Å; E330-H336 IonicContact OE1-CD2 3.75Å
331	G	93.9	Very high	93.6	Very high	20 Å²	20	56.9 Å²	56.9	21%	0.206	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	-18.4	179.9	0	0	0	0	0	114.8	T144 Y334 Y335	T144-G331 VanDerWaalsContact CG2-CA 3.49Å; G331-Y334 PolarHBondContact N-O 3Å; G331-Y335 VanDerWaalsContact CA-CZ 3.48Å; G331-Y335 VanDerWaalsContact O-CE2 3.3Å; G331-Y335 WeakPolarHBondContact O-CE2 3.28Å; G331-Y335 VanDerWaalsContact O-CZ 3.32Å; G331-Y335 PolarHBondContact O-OH 2.92Å
332	T	93.4	Very high	93.8	Very high	77 Å²	77	52.8 Å²	52.8	47%	0.472	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-60.6	176.1	-53.5	0	0	0	0	110.7	R329 E330	R329-T332 PolarHBondContact O-N 3.24Å; E330-T332 PolarHBondContact O-N 3.43Å
333	D	96.8	Very high	93.9	Very high	44 Å²	44	54.9 Å²	54.9	24%	0.235	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-22	-172.9	-53.6	-56.5	0	0	0	111.7	P305 F306 L328 R329	P305-D333 CarbonylContact C-O 3.25Å; P305-D333 WeakPolarHBondContact CA-O 3.38Å; P305-D333 WeakPolarHBondContact CB-O 3.43Å; F306-D333 PolarHBondContact N-O 3.35Å; L328-D333 HydrophobicContact CB-CB 4.07Å; L328-D333 HydrophobicContact CD2-CB 3.84Å; R329-D333 WeakPolarHBondContact CB-OD2 3.34Å; R329-D333 PolarHBondContact N-OD2 2.84Å; R329-D333 IonicContact NE-OD2 3.07Å; R329-D333 PolarHBondContact O-N 2.85Å
334	Y	97.1	Very high	93.9	Very high	22 Å²	22	58.3 Å²	58.3	9%	0.086	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	161	175.9	71.4	-88.6	0	0	0	114.5	F306 I308 L323 L328 R329 E330 G331 H336	F306-Y334 CarbonylContact O-C 3.54Å; F306-Y334 WeakPolarHBondContact O-CA 3.38Å; F306-Y334 WeakPolarHBondContact O-CB 3.46Å; I308-Y334 HydrophobicContact CD1-CD2 3.29Å; I308-Y334 HydrophobicContact CD1-CE2 3.84Å; I308-Y334 HydrophobicContact CD1-CG 3.72Å; I308-Y334 HydrophobicContact CG1-CD2 4.12Å; I308-Y334 HydrophobicContact CG1-CG 4.46Å; L323-Y334 HydrophobicContact CD1-CE1 4.4Å; L323-Y334 HydrophobicContact CD1-CE2 4.11Å; L323-Y334 HydrophobicContact CD2-CD1 4.24Å; L323-Y334 HydrophobicContact CD2-CE1 4.13Å; L323-Y334 HydrophobicContact CD2-CG 4.5Å; L328-Y334 HydrophobicContact CB-CD1 3.72Å; L328-Y334 HydrophobicContact CB-CE1 3.92Å; R329-Y334 VanDerWaalsContact C-CE1 3.45Å; R329-Y334 PolarHBondContact O-N 3.15Å; E330-Y334 HydrophobicContact CB-CE1 4.17Å; E330-Y334 HydrophobicContact CB-CE2 3.82Å; E330-Y334 HydrophobicContact CG-CD2 4.3Å; E330-Y334 HydrophobicContact CG-CE2 3.71Å; G331-Y334 PolarHBondContact N-O 3Å; Y334-H336 AromaticContact CE2-CD2 3.92Å; Y334-H336 AromaticContact CE2-CE1 3.99Å; Y334-H336 AromaticContact CE2-NE2 3.46Å; Y334-H336 WeakPolarHBondContact CE2-NE2 3.18Å
335	Y	96.9	Very high	94.1	Very high	40 Å²	40	53.9 Å²	53.9	16%	0.157	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	144.7	169.3	-76.1	-100.5	0	0	0	110.8	T144 Y147 V234 W238 F306 I308 G331	T144-Y335 HydrophobicContact CG2-CE1 4.15Å; T144-Y335 WeakPolarHBondContact O-CD1 3.38Å; Y147-Y335 AromaticContact CD2-CD1 3.91Å; Y147-Y335 HydrophobicContact CD2-CD1 3.91Å; Y147-Y335 AromaticContact CE2-CD1 3.56Å; Y147-Y335 HydrophobicContact CE2-CD1 3.56Å; Y147-Y335 AromaticContact CE2-CE1 3.83Å; Y147-Y335 HydrophobicContact CE2-CE1 3.83Å; V234-Y335 HydrophobicContact CG1-CD2 3.58Å; V234-Y335 HydrophobicContact CG1-CE2 3.76Å; V234-Y335 HydrophobicContact CG1-CG 4.1Å; V234-Y335 HydrophobicContact CG2-CD1 4.01Å; V234-Y335 HydrophobicContact CG2-CD2 4.29Å; V234-Y335 HydrophobicContact CG2-CE1 3.94Å; V234-Y335 HydrophobicContact CG2-CE2 4.24Å; V234-Y335 HydrophobicContact CG2-CG 4.18Å; W238-Y335 AromaticContact CH2-CD2 3.64Å; W238-Y335 HydrophobicContact CH2-CD2 3.64Å; W238-Y335 HydrophobicContact CH2-CE2 4.24Å; W238-Y335 AromaticContact CZ2-CD2 3.65Å; W238-Y335 HydrophobicContact CZ2-CD2 3.65Å; W238-Y335 AromaticContact CZ2-CE2 3.77Å; W238-Y335 HydrophobicContact CZ2-CE2 3.77Å; F306-Y335 PolarHBondContact O-N 3.17Å; I308-Y335 PolarHBondContact N-O 3.35Å; G331-Y335 VanDerWaalsContact CA-CZ 3.48Å; G331-Y335 VanDerWaalsContact O-CE2 3.3Å; G331-Y335 WeakPolarHBondContact O-CE2 3.28Å; G331-Y335 VanDerWaalsContact O-CZ 3.32Å; G331-Y335 PolarHBondContact O-OH 2.92Å
336	H	95.3	Very high	94.2	Very high	5 Å²	5	52.2 Å²	52.2	2%	0.023	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	133.2	173.1	-71.4	-70.9	0	0	0	111.7	T148 E330 Y334	T148-H336 HydrophobicContact CG2-CB 4.17Å; E330-H336 IonicContact OE1-CD2 3.75Å; Y334-H336 AromaticContact CE2-CD2 3.92Å; Y334-H336 AromaticContact CE2-CE1 3.99Å; Y334-H336 AromaticContact CE2-NE2 3.46Å; Y334-H336 WeakPolarHBondContact CE2-NE2 3.18Å
337	F	94.8	Very high	94.3	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.009	25%	0.25	C	C	.	.			trans	-135.7	79.4	172.7	-170	-90.3	0	0	0	109.6	Y147 W223 R226 V227 L230 L253 I307 I308 C309	Y147-F337 WeakPolarHBondContact O-CD2 3.34Å; W223-F337 HydrophobicContact CE3-CE1 4.12Å; W223-F337 HydrophobicContact CE3-CZ 4.42Å; W223-F337 HydrophobicContact CH2-CD1 4.38Å; W223-F337 AromaticContact CH2-CE1 3.54Å; W223-F337 HydrophobicContact CH2-CE1 3.54Å; W223-F337 HydrophobicContact CH2-CZ 4.43Å; W223-F337 AromaticContact CZ2-CE1 3.95Å; W223-F337 HydrophobicContact CZ2-CE1 3.95Å; W223-F337 AromaticContact CZ3-CE1 3.63Å; W223-F337 HydrophobicContact CZ3-CE1 3.63Å; W223-F337 HydrophobicContact CZ3-CZ 4.36Å; R226-F337 HydrophobicContact CB-CE2 3.74Å; R226-F337 HydrophobicContact CB-CZ 4.1Å; V227-F337 HydrophobicContact CG2-CE1 4.26Å; V227-F337 HydrophobicContact CG2-CE2 4.22Å; V227-F337 HydrophobicContact CG2-CZ 3.51Å; L230-F337 HydrophobicContact CB-CD2 4.42Å; L230-F337 HydrophobicContact CB-CE2 4.42Å; L230-F337 HydrophobicContact CD2-CD2 3.67Å; L230-F337 HydrophobicContact CD2-CE2 4.14Å; L230-F337 HydrophobicContact CD2-CG 4.19Å; L230-F337 HydrophobicContact CG-CD2 4.46Å; L253-F337 HydrophobicContact CB-CD1 4.41Å; L253-F337 HydrophobicContact CB-CE1 4.39Å; L253-F337 HydrophobicContact CD1-CD1 4.04Å; L253-F337 HydrophobicContact CD1-CE1 3.8Å; L253-F337 HydrophobicContact CD1-CE2 4.5Å; L253-F337 HydrophobicContact CD1-CZ 4.06Å; L253-F337 HydrophobicContact CD2-CD1 4Å; L253-F337 HydrophobicContact CD2-CG 4.32Å; L253-F337 HydrophobicContact CG-CD1 4.37Å; L253-F337 HydrophobicContact CG-CE1 4.46Å; I307-F337 HydrophobicContact CG2-CB 3.59Å; I307-F337 HydrophobicContact CG2-CG 4.42Å; I308-F337 CarbonylContact O-C 3.47Å; I308-F337 PolarHBondContact O-N 2.89Å; C309-F337 VanDerWaalsContact CA-O 3.31Å; C309-F337 WeakPolarHBondContact CA-O 3.4Å; C309-F337 PolarHBondContact SG-O 3.09Å; C309-F337 VanDerWaalsContact SG-O 3.38Å
338	N	83.1	Confident	94.3	Very high	13 Å²	13	41.3 Å²	41.3	7%	0.07	20%	0.201	C	C	.	.			trans	-134.2	0	-171.4	63.4	3.8	0	0	0	115.8	T148 S149 R226 V310 L312	T148-N338 WeakPolarHBondContact CB-OD1 3.49Å; T148-N338 VanDerWaalsContact CG2-OD1 3.3Å; T148-N338 WeakPolarHBondContact CG2-OD1 3.43Å; S149-N338 VanDerWaalsContact CB-O 3.24Å; S149-N338 WeakPolarHBondContact CB-O 3.32Å; S149-N338 PolarHBondContact N-O 3.27Å; S149-N338 PolarHBondContact OG-O 3.39Å; S149-N338 PolarHBondContact OG-OXT 2.92Å; R226-N338 PolarHBondContact NH1-O 3.17Å; R226-N338 PolarHBondContact NH2-O 2.75Å; V310-N338 VanDerWaalsContact O-CB 3.31Å; V310-N338 WeakPolarHBondContact O-CB 3.44Å; V310-N338 PolarHBondContact O-ND2 2.66Å; L312-N338 VanDerWaalsContact CD1-ND2 3.29Å; L312-N338 WeakPolarHBondContact CD1-ND2 3.4Å; L312-N338 WeakPolarHBondContact CG-ND2 3.3Å; L312-N338 PolarHBondContact N-ND2 3.39Å; L312-N338 VanDerWaalsContact N-ND2 3.16Å

Retrieved 338 of 338 residues in 195.2 ms (Link to these results)

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