A0A087Y664_POEFO Loading...

Gamma-glutamylcyclotransferase

Catalyzes the cleavage of glutathione into 5-oxo-L-proline and a Cys-Gly dipeptide. Acts specifically on glutathione, but not on other gamma-glutamyl peptides. Glutathione depletion is an important factor for apoptosis initiation and execution. Acts as a pro-apoptotic component of the unfolded protein response pathway by mediating the pro-apoptotic effects of the ATF4-ATF3-DDIT3/CHOP cascade. Negative regulator of Notch signaling pathway involved in embryonic neurogenesis: acts by inhibiting Notch cleavage by furin, maintaining Notch in an immature inactive form, thereby promoting neurogenesis in embryos.

AlphaFold DB , UniProt , Accession A0A087Y664, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 196 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.8	Low	62.4	Low	172 Å²	172	90.2 Å²	90.2	85%	0.847	53%	0.525	S	S	*	.				0	137.6	0	-172	174	-71.2	0	0	107.7	D5 I6	M1-D5 HydrophobicContact CG-CB 3.8Å; M1-D5 HydrophobicContact SD-CB 4.36Å; M1-I6 HydrophobicContact CG-CG1 4.04Å; M1-I6 HydrophobicContact SD-CD1 4.43Å; M1-I6 HydrophobicContact SD-CG1 3.58Å; M1-I6 VanDerWaalsContact SD-CG1 3.58Å
2	K	57.8	Low	64.2	Low	145 Å²	145	85.4 Å²	85.4	63%	0.63	50%	0.501	S	S	*	.			trans	-74.6	144.2	177.1	-65.8	178.3	-178.6	174.9	0	107.8	Q4 D5	K2-Q4 PolarHBondContact O-N 3.17Å; K2-D5 WeakPolarHBondContact CB-OD2 3.41Å; K2-D5 PolarHBondContact N-OD2 3.49Å; K2-D5 WeakPolarHBondContact O-CB 3.38Å; K2-D5 PolarHBondContact O-N 2.83Å
3	P	58.5	Low	66.2	Low	16 Å²	16	79.2 Å²	79.2	10%	0.104	46%	0.464	C	S	.	.	H	α-helix	trans	-54.7	-33.4	-179.4	-29.9	38.8	0	0	0	112.3	D5 I6 I7 N92 T103	P3-D5 VanDerWaalsContact C-N 3.26Å; P3-D5 PolarHBondContact O-N 2.61Å; P3-I6 WeakPolarHBondContact O-CB 3.26Å; P3-I6 PolarHBondContact O-N 3.14Å; P3-I6 VanDerWaalsContact O-N 3.13Å; P3-I7 WeakPolarHBondContact O-CD1 3.36Å; P3-I7 WeakPolarHBondContact O-CG1 3.49Å; P3-N92 VanDerWaalsContact CG-OD1 3.26Å; P3-N92 WeakPolarHBondContact CG-OD1 3.15Å; P3-T103 HydrophobicContact CB-CG2 4.43Å; P3-T103 HydrophobicContact CG-CG2 3.67Å
4	Q	60.8	Low	68.2	Low	139 Å²	139	75.1 Å²	75.1	65%	0.65	44%	0.437	S	S	*	.	H	α-helix	trans	-56.7	-34.3	176.1	-58.2	-176.9	17.4	0	0	113.6	K2	K2-Q4 PolarHBondContact O-N 3.17Å
5	D	64.3	Low	69.9	Low	96 Å²	96	70.1 Å²	70.1	51%	0.513	41%	0.408	S	S	.	.	H	α-helix	trans	-75	-29.1	-179	-49.1	-34.8	0	0	0	111.2	M1 K2 P3 I7	M1-D5 HydrophobicContact CG-CB 3.8Å; M1-D5 HydrophobicContact SD-CB 4.36Å; K2-D5 WeakPolarHBondContact CB-OD2 3.41Å; K2-D5 PolarHBondContact N-OD2 3.49Å; K2-D5 WeakPolarHBondContact O-CB 3.38Å; K2-D5 PolarHBondContact O-N 2.83Å; P3-D5 VanDerWaalsContact C-N 3.26Å; P3-D5 PolarHBondContact O-N 2.61Å; D5-I7 PolarHBondContact O-N 2.89Å
6	I	63.2	Low	71.6	Confident	22 Å²	22	65.9 Å²	65.9	11%	0.113	38%	0.383	C	S	.	.	H	α-helix	trans	-69.7	-20	-179.9	-61.1	173.8	0	0	0	111.8	M1 P3 M105 L121	M1-I6 HydrophobicContact CG-CG1 4.04Å; M1-I6 HydrophobicContact SD-CD1 4.43Å; M1-I6 HydrophobicContact SD-CG1 3.58Å; M1-I6 VanDerWaalsContact SD-CG1 3.58Å; P3-I6 WeakPolarHBondContact O-CB 3.26Å; P3-I6 PolarHBondContact O-N 3.14Å; P3-I6 VanDerWaalsContact O-N 3.13Å; I6-M105 HydrophobicContact CG2-CG 3.59Å; I6-M105 HydrophobicContact CG2-SD 3.45Å; I6-M105 WeakPolarHBondContact CG2-SD 3.45Å; I6-L121 HydrophobicContact CD1-CD1 3.64Å; I6-L121 HydrophobicContact CG2-CD1 4.27Å
7	I	62.7	Low	73.1	Confident	29 Å²	29	62 Å²	62	15%	0.149	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-7.5	-169.2	-51.6	141.8	0	0	0	112.1	P3 D5 G9 K10 L13 L84 L88	P3-I7 WeakPolarHBondContact O-CD1 3.36Å; P3-I7 WeakPolarHBondContact O-CG1 3.49Å; D5-I7 PolarHBondContact O-N 2.89Å; I7-G9 PolarHBondContact O-N 3.38Å; I7-K10 PolarHBondContact O-N 2.97Å; I7-L13 HydrophobicContact CG1-CD2 4.36Å; I7-L84 HydrophobicContact CG2-CD1 4.47Å; I7-L84 HydrophobicContact CG2-CD2 3.49Å; I7-L84 VanDerWaalsContact CG2-CD2 3.49Å; I7-L84 HydrophobicContact CG2-CG 4.05Å; I7-L88 HydrophobicContact CD1-CD1 3.06Å; I7-L88 HydrophobicContact CD1-CD2 4.16Å; I7-L88 HydrophobicContact CD1-CG 4.15Å; I7-L88 HydrophobicContact CG1-CD1 3.78Å
8	A	58.7	Low	74.4	Confident	89 Å²	89	59.4 Å²	59.4	74%	0.736	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	108.3	179	0	0	0	0	0	110
9	G	63.1	Low	75.6	Confident	89 Å²	89	56.7 Å²	56.7	92%	0.918	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.5	0.8	-179.4	0	0	0	0	0	116.9	I7	I7-G9 PolarHBondContact O-N 3.38Å
10	K	68.9	Low	76.5	Confident	92 Å²	92	54.8 Å²	54.8	40%	0.4	32%	0.32	S	S	.	.			trans	-96.7	131.6	177.8	-68.3	-171.8	178.3	-177.1	0	112.5	I7	I7-K10 PolarHBondContact O-N 2.97Å
11	S	76.2	Confident	77.3	Confident	103 Å²	103	53.2 Å²	53.2	72%	0.72	31%	0.31	S	S	*	.	S	Bend	trans	-89.9	-16	176.2	56.1	0	0	0	0	113.9	G81	S11-G81 PolarHBondContact O-N 3.39Å
12	S	84.9	Confident	79.4	Confident	33 Å²	33	45.9 Å²	45.9	23%	0.231	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	150.5	177.8	-171.8	0	0	0	0	110	E78 V79	S12-E78 VanDerWaalsContact OG-CG 3.24Å; S12-E78 WeakPolarHBondContact OG-CG 3.44Å; S12-E78 PolarHBondContact OG-OE1 2.92Å; S12-V79 CarbonylContact C-O 3.56Å; S12-V79 WeakPolarHBondContact CA-O 3.23Å; S12-V79 PolarHBondContact OG-O 3.39Å
13	L	90	Very high	81.2	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.021	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	142.1	177.1	-178.2	66.7	0	0	0	109.7	I7 I15 V79 L84 L88 M105 L121	I7-L13 HydrophobicContact CG1-CD2 4.36Å; L13-I15 HydrophobicContact CD2-CG1 4.5Å; L13-V79 HydrophobicContact CB-CG2 4.13Å; L13-V79 PolarHBondContact N-O 3.47Å; L13-V79 VanDerWaalsContact O-CG2 3.23Å; L13-V79 WeakPolarHBondContact O-CG2 3.47Å; L13-V79 PolarHBondContact O-N 3.45Å; L13-L84 HydrophobicContact CB-CD1 3.47Å; L13-L84 VanDerWaalsContact CB-CD1 3.47Å; L13-L84 HydrophobicContact CD2-CD1 3.96Å; L13-L84 HydrophobicContact CG-CD1 4.37Å; L13-L88 HydrophobicContact CD2-CD1 4.4Å; L13-L88 HydrophobicContact CD2-CD2 4.06Å; L13-M105 HydrophobicContact CD1-CE 4.13Å; L13-M105 HydrophobicContact CD1-SD 4.17Å; L13-L121 HydrophobicContact CD1-CB 4.28Å; L13-L121 HydrophobicContact CD2-CB 4.07Å; L13-L121 HydrophobicContact CD2-CD2 3.95Å; L13-L121 HydrophobicContact CG-CB 4.35Å
14	W	94	Very high	82.8	Confident	23 Å²	23	44.8 Å²	44.8	9%	0.087	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	137	167.3	-69.2	86.5	0	0	0	110.1	R31 E33 A76 F77 E78 V118 A120 L121	W14-R31 HydrophobicContact CH2-CG 4.03Å; W14-E33 HydrophobicContact CH2-CG 3.98Å; W14-E33 HydrophobicContact CZ3-CB 4.35Å; W14-E33 HydrophobicContact CZ3-CG 4.12Å; W14-A76 HydrophobicContact CE3-CB 3.63Å; W14-A76 HydrophobicContact CZ3-CB 4.18Å; W14-F77 CarbonylContact C-O 3.57Å; W14-F77 VanDerWaalsContact CA-O 3.3Å; W14-F77 WeakPolarHBondContact CA-O 3.16Å; W14-E78 HydrophobicContact CD2-CB 3.91Å; W14-E78 HydrophobicContact CD2-CG 4.38Å; W14-E78 HydrophobicContact CE3-CB 3.96Å; W14-E78 HydrophobicContact CH2-CB 3.84Å; W14-E78 HydrophobicContact CZ2-CB 3.75Å; W14-E78 HydrophobicContact CZ2-CG 4.1Å; W14-E78 HydrophobicContact CZ3-CB 3.94Å; W14-V118 HydrophobicContact CD2-CG2 4.18Å; W14-V118 HydrophobicContact CG-CG2 4.12Å; W14-A120 HydrophobicContact CB-CB 3.85Å; W14-A120 CarbonylContact O-C 3.49Å; W14-A120 WeakPolarHBondContact O-CA 3.41Å; W14-L121 PolarHBondContact O-N 3.21Å
15	I	93.9	Very high	84.1	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	121.8	173.3	-64.3	160.6	0	0	0	107.7	L13 L21 F27 A76 F77 V79 L91 L121	L13-I15 HydrophobicContact CD2-CG1 4.5Å; I15-L21 HydrophobicContact CG2-CD1 4.44Å; I15-F27 HydrophobicContact CD1-CE2 4.44Å; I15-F27 HydrophobicContact CD1-CZ 4.39Å; I15-F27 HydrophobicContact CG2-CZ 4.5Å; I15-A76 CarbonylContact O-C 3.54Å; I15-A76 WeakPolarHBondContact O-CA 3.46Å; I15-F77 PolarHBondContact N-O 3.05Å; I15-F77 PolarHBondContact O-N 2.91Å; I15-V79 HydrophobicContact CD1-CG1 4.1Å; I15-V79 HydrophobicContact CD1-CG2 3.67Å; I15-V79 HydrophobicContact CG1-CG2 4.25Å; I15-L91 HydrophobicContact CD1-CD1 3.69Å; I15-L91 HydrophobicContact CG1-CD1 4.41Å; I15-L91 HydrophobicContact CG2-CD1 3.97Å; I15-L121 WeakPolarHBondContact CA-O 3.46Å
16	F	97.2	Very high	85.2	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.009	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	127	179.1	-177.5	-108	0	0	0	111.4	Y18 I37 T72 A76 F108 A120 L121 V122	F16-Y18 HydrophobicContact CD1-CD1 4.29Å; F16-Y18 HydrophobicContact CE1-CD1 4.35Å; F16-I37 HydrophobicContact CD1-CD1 3.83Å; F16-I37 HydrophobicContact CD1-CG1 4.24Å; F16-I37 HydrophobicContact CD1-CG2 3.75Å; F16-I37 HydrophobicContact CD2-CG2 4Å; F16-I37 HydrophobicContact CE1-CB 4.31Å; F16-I37 HydrophobicContact CE1-CD1 3.54Å; F16-I37 HydrophobicContact CE1-CG1 3.63Å; F16-I37 HydrophobicContact CE1-CG2 3.75Å; F16-I37 HydrophobicContact CE2-CG2 4.01Å; F16-I37 HydrophobicContact CG-CG2 3.87Å; F16-I37 HydrophobicContact CZ-CB 4.49Å; F16-I37 HydrophobicContact CZ-CD1 4.44Å; F16-I37 HydrophobicContact CZ-CG1 4.04Å; F16-I37 HydrophobicContact CZ-CG2 3.88Å; F16-T72 WeakPolarHBondContact CZ-O 3.22Å; F16-A76 HydrophobicContact CD2-CB 4.44Å; F16-F108 AromaticContact CD2-CD2 3.53Å; F16-F108 HydrophobicContact CD2-CD2 3.53Å; F16-F108 AromaticContact CD2-CE2 3.84Å; F16-F108 HydrophobicContact CD2-CE2 3.84Å; F16-F108 HydrophobicContact CD2-CG 4.48Å; F16-F108 AromaticContact CE2-CD2 3.68Å; F16-F108 HydrophobicContact CE2-CD2 3.68Å; F16-F108 AromaticContact CE2-CE2 3.75Å; F16-F108 HydrophobicContact CE2-CE2 3.75Å; F16-A120 HydrophobicContact CB-CB 4.03Å; F16-L121 PolarHBondContact N-O 2.85Å; F16-V122 HydrophobicContact CB-CB 4.43Å; F16-V122 HydrophobicContact CD1-CG2 4.04Å
17	G	96.8	Very high	86.2	Confident	0 Å²	0	39 Å²	39	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	123.1	176.6	0	0	0	0	0	111.8	V22 G74 V75	G17-V22 VanDerWaalsContact O-CG1 3.3Å; G17-V22 WeakPolarHBondContact O-CG1 3.45Å; G17-G74 VanDerWaalsContact O-CA 3.29Å; G17-G74 WeakPolarHBondContact O-CA 2.95Å; G17-V75 PolarHBondContact N-O 3.32Å; G17-V75 PolarHBondContact O-N 2.87Å
18	Y	97	Very high	87.4	Confident	16 Å²	16	44.5 Å²	44.5	6%	0.063	26%	0.263	C	S	.	.	S	Bend	trans	-117.2	-7.7	177.6	59.4	-92.9	0	0	0	113.8	F16 R42 V62 L64 V122 Y123	F16-Y18 HydrophobicContact CD1-CD1 4.29Å; F16-Y18 HydrophobicContact CE1-CD1 4.35Å; Y18-R42 WeakPolarHBondContact O-CD 3.45Å; Y18-R42 PolarHBondContact O-NH1 2.72Å; Y18-R42 VanDerWaalsContact O-NH1 3.15Å; Y18-V62 HydrophobicContact CD2-CG2 3.8Å; Y18-V62 HydrophobicContact CE2-CG2 4.02Å; Y18-L64 HydrophobicContact CD1-CD1 3.61Å; Y18-L64 HydrophobicContact CD1-CD2 4.17Å; Y18-L64 HydrophobicContact CD1-CG 3.83Å; Y18-L64 HydrophobicContact CD2-CD2 3.79Å; Y18-L64 HydrophobicContact CD2-CG 3.92Å; Y18-L64 HydrophobicContact CE1-CD1 3.66Å; Y18-L64 HydrophobicContact CE1-CG 3.75Å; Y18-L64 HydrophobicContact CE2-CD2 4.2Å; Y18-L64 HydrophobicContact CE2-CG 3.86Å; Y18-L64 HydrophobicContact CG-CD1 4.1Å; Y18-L64 HydrophobicContact CG-CD2 3.78Å; Y18-L64 HydrophobicContact CG-CG 3.9Å; Y18-V122 HydrophobicContact CD1-CG2 3.81Å; Y18-V122 HydrophobicContact CE1-CG2 3.62Å; Y18-Y123 WeakPolarHBondContact CE1-O 3.29Å; Y18-Y123 VanDerWaalsContact CZ-O 3.29Å; Y18-Y123 PolarHBondContact OH-O 2.97Å
19	G	95.9	Very high	89	Confident	7 Å²	7	44.5 Å²	44.5	7%	0.072	25%	0.245	C	C	.	.	S	Bend	trans	-122.9	-129.3	177.8	0	0	0	0	0	111.1	L21 V22 V62	G19-L21 PolarHBondContact O-N 3.37Å; G19-V22 WeakPolarHBondContact O-CG2 3.31Å; G19-V22 PolarHBondContact O-N 2.86Å; G19-V22 VanDerWaalsContact O-N 3.09Å; G19-V62 VanDerWaalsContact CA-CG2 3.43Å
20	S	94.1	Very high	90.4	Very high	19 Å²	19	46.7 Å²	46.7	13%	0.133	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-56.2	-25.5	-173.9	70.3	0	0	0	0	115.8	V22 W23 K24 R94	S20-V22 PolarHBondContact O-N 3.5Å; S20-W23 VanDerWaalsContact CA-CH2 3.41Å; S20-W23 VanDerWaalsContact CA-CZ3 3.47Å; S20-W23 PolarHBondContact O-N 2.92Å; S20-K24 CarbonylContact O-C 3.59Å; S20-K24 WeakPolarHBondContact O-CA 3.32Å; S20-K24 PolarHBondContact O-N 3.48Å; S20-R94 PolarHBondContact OG-NH2 2.9Å
21	L	93.8	Very high	91.6	Very high	21 Å²	21	47.9 Å²	47.9	11%	0.11	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-60.6	-24.6	-179.7	-65.3	-177.7	0	0	0	112.9	I15 G19 W23 F27 F77	I15-L21 HydrophobicContact CG2-CD1 4.44Å; G19-L21 PolarHBondContact O-N 3.37Å; L21-W23 PolarHBondContact O-N 2.69Å; L21-F27 HydrophobicContact CD2-CE1 4Å; L21-F77 HydrophobicContact CB-CE2 4.3Å; L21-F77 VanDerWaalsContact O-CZ 3.26Å; L21-F77 WeakPolarHBondContact O-CZ 3.05Å
22	V	96.6	Very high	92.5	Very high	19 Å²	19	45.4 Å²	45.4	12%	0.115	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-65.6	-24.4	-179.7	-52.4	0	0	0	0	113	G17 G19 S20 V75 L162 F165	G17-V22 VanDerWaalsContact O-CG1 3.3Å; G17-V22 WeakPolarHBondContact O-CG1 3.45Å; G19-V22 WeakPolarHBondContact O-CG2 3.31Å; G19-V22 PolarHBondContact O-N 2.86Å; G19-V22 VanDerWaalsContact O-N 3.09Å; S20-V22 PolarHBondContact O-N 3.5Å; V22-V75 HydrophobicContact CB-CG2 4.07Å; V22-V75 HydrophobicContact CG1-CG2 4.13Å; V22-L162 HydrophobicContact CG2-CD1 3.98Å; V22-F165 HydrophobicContact CB-CD1 3.98Å; V22-F165 HydrophobicContact CB-CD2 3.88Å; V22-F165 HydrophobicContact CB-CE1 4.13Å; V22-F165 HydrophobicContact CB-CE2 4.03Å; V22-F165 HydrophobicContact CB-CG 3.86Å; V22-F165 HydrophobicContact CB-CZ 4.16Å; V22-F165 HydrophobicContact CG1-CD1 4.18Å; V22-F165 HydrophobicContact CG1-CE1 3.99Å; V22-F165 HydrophobicContact CG1-CZ 4.18Å; V22-F165 HydrophobicContact CG2-CB 3.82Å; V22-F165 HydrophobicContact CG2-CD1 3.78Å; V22-F165 HydrophobicContact CG2-CD2 4.04Å; V22-F165 HydrophobicContact CG2-CE1 4.41Å; V22-F165 HydrophobicContact CG2-CG 3.57Å
23	W	94.6	Very high	93.1	Very high	59 Å²	59	45.2 Å²	45.2	22%	0.223	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121	-21.1	174.7	74.8	87	0	0	0	113.9	S20 L21 Y158 R161 L162	S20-W23 VanDerWaalsContact CA-CH2 3.41Å; S20-W23 VanDerWaalsContact CA-CZ3 3.47Å; S20-W23 PolarHBondContact O-N 2.92Å; L21-W23 PolarHBondContact O-N 2.69Å; W23-Y158 HydrophobicContact CH2-CD1 4.37Å; W23-Y158 AromaticContact CH2-CD2 3.48Å; W23-Y158 HydrophobicContact CH2-CD2 3.48Å; W23-Y158 VanDerWaalsContact CH2-CD2 3.48Å; W23-Y158 AromaticContact CH2-CE2 3.74Å; W23-Y158 HydrophobicContact CH2-CE2 3.74Å; W23-Y158 AromaticContact CH2-CG 3.83Å; W23-Y158 HydrophobicContact CH2-CG 3.83Å; W23-Y158 AromaticContact CZ2-CD2 3.83Å; W23-Y158 HydrophobicContact CZ2-CD2 3.83Å; W23-Y158 HydrophobicContact CZ2-CE2 4.34Å; W23-Y158 HydrophobicContact CZ2-CG 4.35Å; W23-R161 HydrophobicContact CD2-CB 3.79Å; W23-R161 HydrophobicContact CE3-CB 3.88Å; W23-R161 HydrophobicContact CG-CB 4.24Å; W23-R161 HydrophobicContact CH2-CB 4.27Å; W23-R161 HydrophobicContact CZ2-CB 4.21Å; W23-R161 HydrophobicContact CZ3-CB 4.12Å; W23-R161 VanDerWaalsContact NE1-CD 3.28Å; W23-L162 HydrophobicContact CZ3-CB 4.02Å
24	K	91.8	Very high	93.5	Very high	78 Å²	78	47 Å²	47	34%	0.339	22%	0.221	S	C	.	.			trans	-136.8	74.2	-174.9	-166.3	179.5	-167.2	-160	0	110.6	S20 D26	S20-K24 CarbonylContact O-C 3.59Å; S20-K24 WeakPolarHBondContact O-CA 3.32Å; S20-K24 PolarHBondContact O-N 3.48Å; K24-D26 WeakPolarHBondContact CE-OD1 3.46Å; K24-D26 WeakPolarHBondContact CE-OD2 3.21Å; K24-D26 VanDerWaalsContact CG-OD1 3.25Å; K24-D26 WeakPolarHBondContact CG-OD1 3.45Å; K24-D26 WeakPolarHBondContact CG-OD2 3.24Å; K24-D26 IonicContact NZ-OD2 2.88Å
25	P	88.6	Confident	93.7	Very high	23 Å²	23	45.9 Å²	45.9	15%	0.149	22%	0.216	C	C	.	.			trans	-67.5	-36.2	177.9	24.8	-32.1	0	0	0	112.4	F27 Y29 F77	P25-F27 HydrophobicContact CB-CD1 4.3Å; P25-F27 HydrophobicContact CB-CE1 3.96Å; P25-F27 HydrophobicContact CB-CZ 4.09Å; P25-F27 WeakPolarHBondContact O-CD1 3.45Å; P25-F27 WeakPolarHBondContact O-CE1 3.47Å; P25-F27 PolarHBondContact O-N 2.84Å; P25-F27 VanDerWaalsContact O-N 3.12Å; P25-Y29 HydrophobicContact CB-CE1 4.34Å; P25-Y29 HydrophobicContact CG-CE1 3.88Å; P25-F77 HydrophobicContact CB-CD1 4.45Å; P25-F77 HydrophobicContact CB-CE1 3.99Å; P25-F77 HydrophobicContact CB-CZ 4.05Å; P25-F77 HydrophobicContact CG-CE1 4.13Å; P25-F77 HydrophobicContact CG-CZ 4.4Å
26	D	86.6	Confident	93.9	Very high	86 Å²	86	48.7 Å²	48.7	46%	0.46	23%	0.227	S	C	.	.			trans	54.8	23	-179.7	-69	-15.5	0	0	0	114.9	K24 Y90	K24-D26 WeakPolarHBondContact CE-OD1 3.46Å; K24-D26 WeakPolarHBondContact CE-OD2 3.21Å; K24-D26 VanDerWaalsContact CG-OD1 3.25Å; K24-D26 WeakPolarHBondContact CG-OD1 3.45Å; K24-D26 WeakPolarHBondContact CG-OD2 3.24Å; K24-D26 IonicContact NZ-OD2 2.88Å; D26-Y90 HydrophobicContact CB-CE1 4.38Å
27	F	85.3	Confident	93.9	Very high	26 Å²	26	48.6 Å²	48.6	11%	0.114	23%	0.227	C	C	.	.	S	Bend	trans	-140	162	171.5	59.6	-101.1	0	0	0	111.6	I15 L21 P25 Y29 F77 V79 L91	I15-F27 HydrophobicContact CD1-CE2 4.44Å; I15-F27 HydrophobicContact CD1-CZ 4.39Å; I15-F27 HydrophobicContact CG2-CZ 4.5Å; L21-F27 HydrophobicContact CD2-CE1 4Å; P25-F27 HydrophobicContact CB-CD1 4.3Å; P25-F27 HydrophobicContact CB-CE1 3.96Å; P25-F27 HydrophobicContact CB-CZ 4.09Å; P25-F27 WeakPolarHBondContact O-CD1 3.45Å; P25-F27 WeakPolarHBondContact O-CE1 3.47Å; P25-F27 PolarHBondContact O-N 2.84Å; P25-F27 VanDerWaalsContact O-N 3.12Å; F27-Y29 HydrophobicContact CD2-CD1 4.34Å; F27-Y29 HydrophobicContact CE2-CD1 4.2Å; F27-Y29 WeakPolarHBondContact O-CD1 3.38Å; F27-F77 HydrophobicContact CE2-CB 3.78Å; F27-F77 HydrophobicContact CE2-CG 4.1Å; F27-F77 HydrophobicContact CZ-CB 3.93Å; F27-F77 HydrophobicContact CZ-CD2 4.01Å; F27-F77 AromaticContact CZ-CG 3.91Å; F27-F77 HydrophobicContact CZ-CG 3.91Å; F27-V79 HydrophobicContact CD2-CG1 3.94Å; F27-V79 HydrophobicContact CE2-CG1 3.81Å; F27-L91 HydrophobicContact CE1-CD1 4.47Å
28	K	87.1	Confident	93.9	Very high	145 Å²	145	53.2 Å²	53.2	63%	0.63	25%	0.249	S	C	*	.			trans	-81	130.7	177.2	-68	-178.6	-179.7	175.9	0	110.2	Q83	K28-Q83 HydrophobicContact CB-CG 4.26Å
29	Y	91.6	Very high	94	Very high	90 Å²	90	53.2 Å²	53.2	35%	0.353	25%	0.253	S	S	.	.			trans	-136.1	157.8	175.8	59.2	-91.2	0	0	0	110.2	P25 F27 R31 F77 E78	P25-Y29 HydrophobicContact CB-CE1 4.34Å; P25-Y29 HydrophobicContact CG-CE1 3.88Å; F27-Y29 HydrophobicContact CD2-CD1 4.34Å; F27-Y29 HydrophobicContact CE2-CD1 4.2Å; F27-Y29 WeakPolarHBondContact O-CD1 3.38Å; Y29-R31 VanDerWaalsContact CD2-C 3.45Å; Y29-R31 WeakPolarHBondContact CD2-O 3.4Å; Y29-F77 AromaticContact CD1-CD1 3.66Å; Y29-F77 HydrophobicContact CD1-CD1 3.66Å; Y29-F77 HydrophobicContact CD1-CE1 4.29Å; Y29-F77 AromaticContact CD2-CD1 3.92Å; Y29-F77 HydrophobicContact CD2-CD1 3.92Å; Y29-F77 AromaticContact CE1-CD1 3.73Å; Y29-F77 HydrophobicContact CE1-CD1 3.73Å; Y29-F77 AromaticContact CE1-CE1 3.91Å; Y29-F77 HydrophobicContact CE1-CE1 3.91Å; Y29-F77 AromaticContact CE2-CD1 3.97Å; Y29-F77 HydrophobicContact CE2-CD1 3.97Å; Y29-F77 HydrophobicContact CE2-CE1 4.39Å; Y29-F77 HydrophobicContact CG-CB 4.26Å; Y29-F77 AromaticContact CG-CD1 3.76Å; Y29-F77 HydrophobicContact CG-CD1 3.76Å; Y29-F77 HydrophobicContact CG-CG 4.48Å; Y29-F77 AromaticContact CZ-CD1 3.87Å; Y29-F77 AromaticContact CZ-CE1 3.95Å; Y29-E78 CarbonylContact C-O 3.57Å; Y29-E78 WeakPolarHBondContact CB-O 3.19Å
30	K	92.8	Very high	94	Very high	135 Å²	135	54 Å²	54	59%	0.587	25%	0.254	S	S	*	.	S	Bend	trans	-78.2	-45.4	-179.7	-179.3	-177.9	174.1	-169	0	111.6	E78	K30-E78 PolarHBondContact N-O 2.64Å; K30-E78 IonicContact NZ-OE1 2.76Å
31	R	94.1	Very high	94.1	Very high	116 Å²	116	55.4 Å²	55.4	44%	0.438	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	163.5	174.9	58.9	171.8	167.9	170.5	-6.8	110.6	W14 Y29 E33 E78	W14-R31 HydrophobicContact CH2-CG 4.03Å; Y29-R31 VanDerWaalsContact CD2-C 3.45Å; Y29-R31 WeakPolarHBondContact CD2-O 3.4Å; R31-E33 IonicContact CZ-OE1 3.47Å; R31-E33 IonicContact NE-OE1 3.28Å; R31-E33 IonicContact NH1-OE1 3.31Å; R31-E33 PolarHBondContact NH1-OE1 2.97Å; R31-E33 VanDerWaalsContact NH1-OE1 3.11Å; R31-E78 HydrophobicContact CG-CB 3.94Å; R31-E78 IonicContact CZ-OE2 2.69Å; R31-E78 IonicContact NE-OE2 3.69Å; R31-E78 PolarHBondContact NE-OE2 2.89Å; R31-E78 IonicContact NH2-OE2 3.73Å; R31-E78 PolarHBondContact NH2-OE2 2.98Å; R31-E78 PolarHBondContact O-N 2.69Å
32	S	96.1	Very high	94.3	Very high	52 Å²	52	54.8 Å²	54.8	36%	0.364	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	151.5	174.5	57.8	0	0	0	0	110.7	A76 F77	S32-A76 CarbonylContact C-O 3.6Å; S32-A76 WeakPolarHBondContact CA-O 3.35Å; S32-F77 VanDerWaalsContact CB-CD1 3.5Å
33	E	97.2	Very high	94.4	Very high	28 Å²	28	56.6 Å²	56.6	13%	0.131	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	136.5	-177.8	-61.3	-176.1	-177.5	0	0	110.4	W14 R31 V75 A76 F108 R115	W14-E33 HydrophobicContact CH2-CG 3.98Å; W14-E33 HydrophobicContact CZ3-CB 4.35Å; W14-E33 HydrophobicContact CZ3-CG 4.12Å; R31-E33 IonicContact CZ-OE1 3.47Å; R31-E33 IonicContact NE-OE1 3.28Å; R31-E33 IonicContact NH1-OE1 3.31Å; R31-E33 PolarHBondContact NH1-OE1 2.97Å; R31-E33 VanDerWaalsContact NH1-OE1 3.11Å; E33-V75 CarbonylContact O-C 3.58Å; E33-V75 WeakPolarHBondContact O-CA 3.42Å; E33-A76 PolarHBondContact N-O 3.28Å; E33-A76 PolarHBondContact O-N 2.86Å; E33-F108 HydrophobicContact CB-CE1 4.36Å; E33-F108 WeakPolarHBondContact O-CZ 3.4Å; E33-R115 VanDerWaalsContact CD-NH1 3.28Å; E33-R115 IonicContact OE1-CZ 3.99Å; E33-R115 IonicContact OE1-NH1 3.73Å; E33-R115 IonicContact OE1-NH2 3.49Å; E33-R115 PolarHBondContact OE1-NH2 2.98Å; E33-R115 IonicContact OE2-CZ 3.05Å; E33-R115 IonicContact OE2-NH1 3.5Å; E33-R115 PolarHBondContact OE2-NH1 3.27Å; E33-R115 IonicContact OE2-NH2 2.61Å; E33-R115 PolarHBondContact OE2-NH2 3.47Å
34	V	97.9	Very high	94.6	Very high	42 Å²	42	53.9 Å²	53.9	26%	0.255	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	143.3	172.5	174.8	0	0	0	0	108.9	W73 G74 V75 H111 F165	V34-W73 HydrophobicContact CG1-CE3 4.22Å; V34-W73 HydrophobicContact CG1-CZ3 4.36Å; V34-G74 WeakPolarHBondContact CA-O 3.29Å; V34-V75 HydrophobicContact CG2-CG2 4.26Å; V34-H111 VanDerWaalsContact O-CB 3.31Å; V34-H111 WeakPolarHBondContact O-CB 3.29Å; V34-H111 PolarHBondContact O-N 3.38Å; V34-F165 HydrophobicContact CG2-CE2 4.34Å
35	G	97.9	Very high	94.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.5	-160.7	178.8	0	0	0	0	0	110.8	W73 G74 F108 F109	G35-W73 WeakPolarHBondContact O-CA 3.35Å; G35-G74 PolarHBondContact N-O 2.87Å; G35-G74 VanDerWaalsContact N-O 3.15Å; G35-G74 PolarHBondContact O-N 3.15Å; G35-F108 VanDerWaalsContact C-CE2 3.41Å; G35-F108 VanDerWaalsContact CA-CE2 3.43Å; G35-F109 CarbonylContact C-O 3.56Å; G35-F109 WeakPolarHBondContact CA-O 3.13Å
36	Y	98.2	Very high	95.2	Very high	58 Å²	58	51 Å²	51	23%	0.227	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	164.4	-175.9	65.3	-86.3	0	0	0	113.3	E38 T71 T72 W73 F108 F109	Y36-E38 HydrophobicContact CD2-CG 4.04Å; Y36-E38 HydrophobicContact CE2-CG 3.77Å; Y36-T71 HydrophobicContact CD2-CG2 4.02Å; Y36-T71 HydrophobicContact CE2-CG2 4.27Å; Y36-T72 VanDerWaalsContact CA-O 3.24Å; Y36-T72 WeakPolarHBondContact CA-O 3.35Å; Y36-T72 WeakPolarHBondContact CB-O 3.33Å; Y36-W73 HydrophobicContact CD1-CD2 4.41Å; Y36-W73 AromaticContact CD1-CE2 3.81Å; Y36-W73 AromaticContact CD1-CH2 3.95Å; Y36-W73 HydrophobicContact CD1-CH2 3.95Å; Y36-W73 AromaticContact CD1-CZ2 3.56Å; Y36-W73 HydrophobicContact CD1-CZ2 3.56Å; Y36-W73 HydrophobicContact CE1-CZ2 4.19Å; Y36-W73 HydrophobicContact CG-CZ2 4.3Å; Y36-F108 WeakPolarHBondContact O-CA 3.49Å; Y36-F108 WeakPolarHBondContact O-CD2 3.31Å; Y36-F109 HydrophobicContact CD1-CB 4Å; Y36-F109 HydrophobicContact CD2-CB 4.13Å; Y36-F109 HydrophobicContact CD2-CD2 4.09Å; Y36-F109 HydrophobicContact CD2-CG 4.41Å; Y36-F109 HydrophobicContact CE1-CB 3.57Å; Y36-F109 HydrophobicContact CE1-CG 4.43Å; Y36-F109 HydrophobicContact CE2-CB 3.72Å; Y36-F109 AromaticContact CE2-CD2 3.69Å; Y36-F109 HydrophobicContact CE2-CD2 3.69Å; Y36-F109 HydrophobicContact CE2-CE2 4.48Å; Y36-F109 AromaticContact CE2-CG 3.77Å; Y36-F109 HydrophobicContact CE2-CG 3.77Å; Y36-F109 HydrophobicContact CG-CB 4.26Å; Y36-F109 VanDerWaalsContact CZ-CB 3.41Å; Y36-F109 AromaticContact CZ-CG 3.78Å; Y36-F109 PolarHBondContact N-O 2.85Å; Y36-F109 PolarHBondContact O-N 3.17Å
37	I	98.2	Very high	95.6	Very high	0 Å²	0	47 Å²	47	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	155.4	165.1	64.7	169.9	0	0	0	108.5	F16 Y40 L64 T71 T72 V106 F108	F16-I37 HydrophobicContact CD1-CD1 3.83Å; F16-I37 HydrophobicContact CD1-CG1 4.24Å; F16-I37 HydrophobicContact CD1-CG2 3.75Å; F16-I37 HydrophobicContact CD2-CG2 4Å; F16-I37 HydrophobicContact CE1-CB 4.31Å; F16-I37 HydrophobicContact CE1-CD1 3.54Å; F16-I37 HydrophobicContact CE1-CG1 3.63Å; F16-I37 HydrophobicContact CE1-CG2 3.75Å; F16-I37 HydrophobicContact CE2-CG2 4.01Å; F16-I37 HydrophobicContact CG-CG2 3.87Å; F16-I37 HydrophobicContact CZ-CB 4.49Å; F16-I37 HydrophobicContact CZ-CD1 4.44Å; F16-I37 HydrophobicContact CZ-CG1 4.04Å; F16-I37 HydrophobicContact CZ-CG2 3.88Å; I37-Y40 HydrophobicContact CD1-CD2 3.87Å; I37-Y40 HydrophobicContact CD1-CG 4.3Å; I37-L64 HydrophobicContact CD1-CD1 3.66Å; I37-T71 CarbonylContact O-C 3.59Å; I37-T71 WeakPolarHBondContact O-CA 3.32Å; I37-T72 PolarHBondContact N-O 2.83Å; I37-T72 PolarHBondContact O-N 3.49Å; I37-V106 HydrophobicContact CB-CG2 4.31Å; I37-V106 HydrophobicContact CG2-CG2 3.72Å; I37-F108 HydrophobicContact CG2-CB 4.38Å; I37-F108 HydrophobicContact CG2-CD2 4.37Å
38	E	97.4	Very high	95.9	Very high	98 Å²	98	46.8 Å²	46.8	46%	0.458	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	160.3	178	-63.1	177.9	159.2	0	0	110.9	Y36 Y40 A70 T71 F109	Y36-E38 HydrophobicContact CD2-CG 4.04Å; Y36-E38 HydrophobicContact CE2-CG 3.77Å; E38-Y40 VanDerWaalsContact C-N 3.35Å; E38-Y40 VanDerWaalsContact O-CD2 3.26Å; E38-Y40 WeakPolarHBondContact O-CD2 3.45Å; E38-A70 CarbonylContact C-O 3.54Å; E38-T71 HydrophobicContact CG-CG2 4.25Å; E38-F109 HydrophobicContact CG-CD2 4.23Å; E38-F109 HydrophobicContact CG-CE2 3.86Å
39	G	97.1	Very high	96.2	Very high	15 Å²	15	42.4 Å²	42.4	16%	0.155	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	81.7	9.8	177.4	0	0	0	0	0	114.7	E66 D67 A70	G39-E66 WeakPolarHBondContact O-CA 3.14Å; G39-D67 CarbonylContact C-O 3Å; G39-D67 WeakPolarHBondContact CA-O 3.42Å; G39-D67 PolarHBondContact O-N 2.9Å; G39-A70 PolarHBondContact N-O 2.86Å
40	Y	97.4	Very high	96.1	Very high	24 Å²	24	41.7 Å²	41.7	9%	0.094	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	138.5	-178	-61.6	-85.8	0	0	0	112.9	I37 E38 L64 I65 E66 D67 A70 T71 T72 K104 V106 I124	I37-Y40 HydrophobicContact CD1-CD2 3.87Å; I37-Y40 HydrophobicContact CD1-CG 4.3Å; E38-Y40 VanDerWaalsContact C-N 3.35Å; E38-Y40 VanDerWaalsContact O-CD2 3.26Å; E38-Y40 WeakPolarHBondContact O-CD2 3.45Å; Y40-L64 HydrophobicContact CD1-CB 3.92Å; Y40-L64 HydrophobicContact CG-CB 4.29Å; Y40-L64 HydrophobicContact CG-CD1 4.29Å; Y40-I65 CarbonylContact C-O 3.52Å; Y40-I65 VanDerWaalsContact CA-O 3.31Å; Y40-I65 WeakPolarHBondContact CA-O 3.41Å; Y40-E66 HydrophobicContact CD1-CG 4.13Å; Y40-E66 HydrophobicContact CE1-CG 3.6Å; Y40-D67 PolarHBondContact N-O 2.88Å; Y40-A70 PolarHBondContact N-O 2.86Å; Y40-T71 CarbonylContact O-C 3.54Å; Y40-T72 PolarHBondContact O-OG1 3.11Å; Y40-K104 WeakPolarHBondContact OH-CD 3.42Å; Y40-K104 PolarHBondContact OH-NZ 3.42Å; Y40-V106 HydrophobicContact CE2-CG1 3.95Å; Y40-I124 HydrophobicContact CD1-CD1 4.11Å; Y40-I124 HydrophobicContact CE1-CD1 3.64Å
41	K	96.6	Very high	96	Very high	48 Å²	48	38.3 Å²	38.3	21%	0.209	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	136.6	167.9	64	-177.3	154.5	-147.4	0	111.5	R43 L64 I65 D67 A70	K41-R43 HydrophobicContact CD-CG 4.47Å; K41-R43 HydrophobicContact CG-CG 4.26Å; K41-L64 WeakPolarHBondContact O-CA 3.34Å; K41-I65 HydrophobicContact CD-CB 4.42Å; K41-I65 HydrophobicContact CG-CB 3.82Å; K41-I65 WeakPolarHBondContact CG-O 3.35Å; K41-I65 PolarHBondContact N-O 3.19Å; K41-I65 PolarHBondContact O-N 2.72Å; K41-D67 HydrophobicContact CB-CB 4.27Å; K41-D67 HydrophobicContact CD-CB 4.02Å; K41-D67 VanDerWaalsContact CD-OD2 3.29Å; K41-D67 WeakPolarHBondContact CD-OD2 3.23Å; K41-D67 WeakPolarHBondContact CE-OD2 3.44Å; K41-D67 HydrophobicContact CG-CB 4Å; K41-D67 IonicContact NZ-OD2 2.61Å; K41-D67 PolarHBondContact NZ-OD2 3.31Å; K41-A70 HydrophobicContact CB-CB 3.96Å
42	R	97.9	Very high	96.1	Very high	9 Å²	9	33.5 Å²	33.5	3%	0.034	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	129.4	173.9	-178.6	167.6	55.2	-141.3	-9.1	111.7	Y18 V62 T63 L64 T72 W73 M166 D175	Y18-R42 WeakPolarHBondContact O-CD 3.45Å; Y18-R42 PolarHBondContact O-NH1 2.72Å; Y18-R42 VanDerWaalsContact O-NH1 3.15Å; R42-V62 HydrophobicContact CG-CB 3.7Å; R42-V62 HydrophobicContact CG-CG1 3.71Å; R42-V62 HydrophobicContact CG-CG2 4.13Å; R42-T63 WeakPolarHBondContact CA-O 3.13Å; R42-L64 HydrophobicContact CB-CD2 4.32Å; R42-T72 HydrophobicContact CB-CG2 4.01Å; R42-T72 PolarHBondContact N-OG1 2.78Å; R42-W73 PolarHBondContact NH1-O 2.9Å; R42-M166 PolarHBondContact NH2-SD 3.35Å; R42-D175 IonicContact CZ-OD2 2.95Å; R42-D175 VanDerWaalsContact CZ-OD2 3.3Å; R42-D175 IonicContact NE-OD2 2.82Å; R42-D175 PolarHBondContact NE-OD2 3.2Å; R42-D175 VanDerWaalsContact NE-OD2 3.09Å; R42-D175 IonicContact NH2-OD2 3.65Å; R42-D175 PolarHBondContact NH2-OD2 3.11Å
43	R	98.2	Very high	96	Very high	57 Å²	57	31 Å²	31	22%	0.215	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	139.4	-179.8	-66.4	-64.5	179.7	-93.8	5.1	113.3	K41 W45 V62 T63 I65	K41-R43 HydrophobicContact CD-CG 4.47Å; K41-R43 HydrophobicContact CG-CG 4.26Å; R43-W45 HydrophobicContact CB-CB 4.29Å; R43-W45 HydrophobicContact CB-CD2 3.49Å; R43-W45 VanDerWaalsContact CB-CD2 3.49Å; R43-W45 HydrophobicContact CB-CE3 3.96Å; R43-W45 HydrophobicContact CB-CG 3.64Å; R43-W45 HydrophobicContact CB-CZ2 4.32Å; R43-W45 HydrophobicContact CG-CD2 3.87Å; R43-W45 HydrophobicContact CG-CE3 4.07Å; R43-W45 HydrophobicContact CG-CH2 4.03Å; R43-W45 HydrophobicContact CG-CZ2 3.83Å; R43-W45 HydrophobicContact CG-CZ3 4.15Å; R43-W45 PolarHBondContact O-N 2.66Å; R43-V62 CarbonylContact O-C 3.58Å; R43-V62 VanDerWaalsContact O-CA 3.26Å; R43-V62 WeakPolarHBondContact O-CA 3.38Å; R43-T63 PolarHBondContact N-O 2.85Å; R43-T63 PolarHBondContact O-N 2.97Å; R43-I65 HydrophobicContact CB-CG1 4.18Å; R43-I65 HydrophobicContact CG-CG1 4.04Å
44	F	98.3	Very high	95.9	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	47.5	173.7	-78.8	-97.8	0	0	0	112.7	R60 V61 V62 I141 I145 Y158 L159 L162 H177 L178 I181	F44-R60 HydrophobicContact CB-CB 4.47Å; F44-R60 WeakPolarHBondContact O-CD 3.24Å; F44-R60 PolarHBondContact O-NH1 3.45Å; F44-V61 CarbonylContact C-O 3.27Å; F44-V61 WeakPolarHBondContact CA-O 3.4Å; F44-V62 HydrophobicContact CD1-CG1 4.04Å; F44-V62 HydrophobicContact CD2-CG1 3.53Å; F44-V62 HydrophobicContact CE1-CG1 3.93Å; F44-V62 HydrophobicContact CE2-CG1 3.38Å; F44-V62 HydrophobicContact CG-CG1 3.86Å; F44-V62 HydrophobicContact CZ-CG1 3.6Å; F44-I141 HydrophobicContact CB-CD1 4.45Å; F44-I141 HydrophobicContact CB-CG2 3.87Å; F44-I145 HydrophobicContact CD1-CD1 3.7Å; F44-I145 HydrophobicContact CE1-CD1 3.98Å; F44-I145 HydrophobicContact CG-CD1 4.44Å; F44-Y158 AromaticContact CE1-CD1 3.86Å; F44-Y158 HydrophobicContact CE1-CD1 3.86Å; F44-Y158 AromaticContact CE1-CE1 3.75Å; F44-Y158 HydrophobicContact CE1-CE1 3.75Å; F44-Y158 HydrophobicContact CZ-CD1 4.42Å; F44-Y158 HydrophobicContact CZ-CE1 4.2Å; F44-L159 HydrophobicContact CE1-CB 4.5Å; F44-L159 HydrophobicContact CE1-CD1 4.01Å; F44-L159 HydrophobicContact CE2-CD1 4.02Å; F44-L159 HydrophobicContact CZ-CD1 3.48Å; F44-L159 VanDerWaalsContact CZ-CD1 3.48Å; F44-L162 HydrophobicContact CE2-CD2 4.3Å; F44-L162 HydrophobicContact CZ-CD2 4.01Å; F44-H177 AromaticContact CD2-CD2 3.91Å; F44-H177 AromaticContact CD2-NE2 3.89Å; F44-H177 PolarHBondContact N-NE2 2.94Å; F44-L178 HydrophobicContact CE2-CD1 3.55Å; F44-L178 HydrophobicContact CZ-CD1 3.76Å; F44-I181 HydrophobicContact CB-CD1 3.84Å; F44-I181 HydrophobicContact CD2-CD1 3.65Å; F44-I181 HydrophobicContact CE2-CD1 4.47Å; F44-I181 HydrophobicContact CG-CD1 3.94Å
45	W	97.4	Very high	95.6	Very high	37 Å²	37	37.3 Å²	37.3	14%	0.14	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	3	-173	-62.2	-9.7	0	0	0	112.9	R43 I65 F132 L133 G134 P135 H177	R43-W45 HydrophobicContact CB-CB 4.29Å; R43-W45 HydrophobicContact CB-CD2 3.49Å; R43-W45 VanDerWaalsContact CB-CD2 3.49Å; R43-W45 HydrophobicContact CB-CE3 3.96Å; R43-W45 HydrophobicContact CB-CG 3.64Å; R43-W45 HydrophobicContact CB-CZ2 4.32Å; R43-W45 HydrophobicContact CG-CD2 3.87Å; R43-W45 HydrophobicContact CG-CE3 4.07Å; R43-W45 HydrophobicContact CG-CH2 4.03Å; R43-W45 HydrophobicContact CG-CZ2 3.83Å; R43-W45 HydrophobicContact CG-CZ3 4.15Å; R43-W45 PolarHBondContact O-N 2.66Å; W45-I65 HydrophobicContact CE3-CD1 3.82Å; W45-I65 HydrophobicContact CE3-CG1 3.68Å; W45-I65 HydrophobicContact CZ3-CD1 4.2Å; W45-I65 HydrophobicContact CZ3-CG1 3.76Å; W45-I65 HydrophobicContact CZ3-CG2 4.39Å; W45-F132 HydrophobicContact CB-CE2 3.85Å; W45-F132 HydrophobicContact CB-CZ 4.29Å; W45-F132 HydrophobicContact CE3-CE2 4.49Å; W45-F132 HydrophobicContact CE3-CZ 4.15Å; W45-F132 WeakPolarHBondContact O-CD2 3.48Å; W45-L133 PolarHBondContact O-N 2.98Å; W45-G134 WeakPolarHBondContact CB-O 3.32Å; W45-G134 VanDerWaalsContact CD1-O 3.27Å; W45-G134 VanDerWaalsContact CG-O 3.31Å; W45-G134 PolarHBondContact O-N 2.89Å; W45-G134 VanDerWaalsContact O-N 3.12Å; W45-P135 HydrophobicContact CD2-CB 4.4Å; W45-P135 HydrophobicContact CD2-CG 4.2Å; W45-P135 HydrophobicContact CE3-CG 4.03Å; W45-P135 HydrophobicContact CH2-CB 4.1Å; W45-P135 HydrophobicContact CH2-CG 3.75Å; W45-P135 HydrophobicContact CZ2-CB 3.76Å; W45-P135 HydrophobicContact CZ2-CG 3.92Å; W45-P135 HydrophobicContact CZ3-CG 3.8Å; W45-H177 AromaticContact NE1-CE1 3.79Å
46	H	95.4	Very high	95.4	Very high	5 Å²	5	45.8 Å²	45.8	2%	0.023	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	131.6	178.3	-167	-96.3	0	0	0	110.6	R60 V61 T63 Y101 A125 N129	H46-R60 CarbonylContact O-C 3.23Å; H46-R60 WeakPolarHBondContact O-CA 3.43Å; H46-V61 HydrophobicContact CB-CG2 4.17Å; H46-V61 PolarHBondContact N-O 2.76Å; H46-V61 PolarHBondContact O-N 2.92Å; H46-T63 HydrophobicContact CB-CG2 4.18Å; H46-Y101 PolarHBondContact ND1-OH 3.26Å; H46-A125 HydrophobicContact CB-CB 4.48Å; H46-A125 WeakPolarHBondContact CD2-CB 3.45Å; H46-N129 PolarHBondContact NE2-ND2 3.46Å
47	G	94.9	Very high	95.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	140.4	178.5	0	0	0	0	0	111.6	G59 L131	G47-G59 CarbonylContact C-O 3.03Å; G47-G59 VanDerWaalsContact CA-O 3.23Å; G47-G59 WeakPolarHBondContact CA-O 3.26Å; G47-L131 VanDerWaalsContact CA-O 3.31Å; G47-L131 WeakPolarHBondContact CA-O 3.44Å; G47-L131 PolarHBondContact N-O 3.39Å
48	D	92.9	Very high	95.1	Very high	23 Å²	23	47.4 Å²	47.4	12%	0.123	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	107.9	171	179.3	-75.6	0	0	0	109.8	F50 H51 R52 G53 G59 V61	D48-F50 VanDerWaalsContact C-N 3.35Å; D48-F50 PolarHBondContact OD1-N 2.99Å; D48-H51 VanDerWaalsContact OD1-CA 3.31Å; D48-H51 WeakPolarHBondContact OD1-CA 3.47Å; D48-H51 WeakPolarHBondContact OD1-CB 3.35Å; D48-H51 PolarHBondContact OD1-N 3Å; D48-H51 IonicContact OD2-CG 3.8Å; D48-H51 IonicContact OD2-ND1 3.24Å; D48-H51 PolarHBondContact OD2-ND1 2.88Å; D48-R52 HydrophobicContact CB-CB 4.48Å; D48-R52 PolarHBondContact OD1-N 2.96Å; D48-G53 VanDerWaalsContact O-CA 3.24Å; D48-G53 WeakPolarHBondContact O-CA 3.46Å; D48-G53 PolarHBondContact O-N 2.58Å; D48-G59 PolarHBondContact N-O 2.68Å; D48-G59 PolarHBondContact O-N 3.05Å; D48-V61 HydrophobicContact CB-CG1 3.81Å; D48-V61 HydrophobicContact CB-CG2 4.01Å
49	N	92.9	Very high	95	Very high	52 Å²	52	42.8 Å²	42.8	28%	0.278	22%	0.215	S	C	.	.	S	Bend	trans	-93.7	16.3	-179.7	68.1	-23.1	0	0	0	113.2	G53 N54 D55 P58 L131	N49-G53 CarbonylContact C-O 3.56Å; N49-G53 VanDerWaalsContact C-O 3.3Å; N49-N54 WeakPolarHBondContact CB-O 3.4Å; N49-N54 CarbonylContact O-C 3.49Å; N49-N54 WeakPolarHBondContact O-CA 3.19Å; N49-D55 PolarHBondContact ND2-OD1 3.13Å; N49-P58 HydrophobicContact CB-CB 4.41Å; N49-L131 HydrophobicContact CB-CD2 4.48Å
50	F	89.9	Confident	95.1	Very high	75 Å²	75	42.9 Å²	42.9	33%	0.329	21%	0.211	S	C	.	.	S	Bend	trans	-138.4	-54.5	-174.2	-175.2	-100.2	0	0	0	114.4	D48 G53 K151	D48-F50 VanDerWaalsContact C-N 3.35Å; D48-F50 PolarHBondContact OD1-N 2.99Å; F50-G53 CarbonylContact C-O 3.52Å; F50-G53 PolarHBondContact N-O 3.24Å; F50-K151 HydrophobicContact CE1-CD 3.73Å; F50-K151 HydrophobicContact CE2-CD 4.03Å; F50-K151 HydrophobicContact CZ-CD 3.38Å; F50-K151 WeakPolarHBondContact O-CB 3.29Å; F50-K151 PolarHBondContact O-N 2.89Å
51	H	90.3	Very high	95	Very high	64 Å²	64	42.2 Å²	42.2	30%	0.296	21%	0.209	S	C	.	.	S	Bend	trans	-81.4	-43.8	-177.2	-56.9	98.9	0	0	0	112.5	D48 G150 K151 T152	D48-H51 VanDerWaalsContact OD1-CA 3.31Å; D48-H51 WeakPolarHBondContact OD1-CA 3.47Å; D48-H51 WeakPolarHBondContact OD1-CB 3.35Å; D48-H51 PolarHBondContact OD1-N 3Å; D48-H51 IonicContact OD2-CG 3.8Å; D48-H51 IonicContact OD2-ND1 3.24Å; D48-H51 PolarHBondContact OD2-ND1 2.88Å; H51-G150 CarbonylContact O-C 3.55Å; H51-G150 VanDerWaalsContact O-C 3.26Å; H51-G150 WeakPolarHBondContact O-CA 3.19Å; H51-K151 PolarHBondContact O-N 3.3Å; H51-T152 PolarHBondContact CD2-OG1 3.04Å; H51-T152 WeakPolarHBondContact O-CA 3.35Å; H51-T152 WeakPolarHBondContact O-CB 3.43Å; H51-T152 PolarHBondContact O-N 2.84Å
52	R	95.4	Very high	95.1	Very high	15 Å²	15	40.1 Å²	40.1	6%	0.057	20%	0.2	C	C	.	.	S	Bend	trans	-120.1	-12.4	-171.5	-61.1	-56.2	-177.6	172.7	-2.5	113.3	D48 V61 C148 R149 G150 T152 H154 N155 E157 Y158	D48-R52 HydrophobicContact CB-CB 4.48Å; D48-R52 PolarHBondContact OD1-N 2.96Å; R52-V61 HydrophobicContact CB-CG1 4.41Å; R52-V61 HydrophobicContact CG-CG1 4.16Å; R52-C148 CarbonylContact O-C 3.3Å; R52-R149 CarbonylContact O-C 3.54Å; R52-R149 VanDerWaalsContact O-C 3.27Å; R52-R149 WeakPolarHBondContact O-CA 3.35Å; R52-R149 PolarHBondContact O-N 3.33Å; R52-G150 VanDerWaalsContact C-N 3.29Å; R52-G150 PolarHBondContact O-N 3.11Å; R52-T152 PolarHBondContact NH1-O 2.57Å; R52-H154 PolarHBondContact NH1-O 2.88Å; R52-N155 HydrophobicContact CB-CB 4.1Å; R52-E157 IonicContact CZ-OE2 3.68Å; R52-E157 IonicContact NH1-OE2 2.8Å; R52-E157 PolarHBondContact NH1-OE2 2.91Å; R52-E157 IonicContact NH2-OE2 3.59Å; R52-Y158 HydrophobicContact CG-CD2 4.35Å
53	G	95.1	Very high	95	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.01	20%	0.198	C	C	.	.			trans	-139.2	-159.4	166.3	0	0	0	0	0	112.5	D48 N49 F50 S57 R149 G150	D48-G53 VanDerWaalsContact O-CA 3.24Å; D48-G53 WeakPolarHBondContact O-CA 3.46Å; D48-G53 PolarHBondContact O-N 2.58Å; N49-G53 CarbonylContact C-O 3.56Å; N49-G53 VanDerWaalsContact C-O 3.3Å; F50-G53 CarbonylContact C-O 3.52Å; F50-G53 PolarHBondContact N-O 3.24Å; G53-S57 WeakPolarHBondContact CA-O 3.47Å; G53-R149 CarbonylContact C-O 3.26Å; G53-G150 WeakPolarHBondContact O-CA 3.03Å
54	N	94	Very high	94.9	Very high	66 Å²	66	37.2 Å²	37.2	35%	0.353	19%	0.189	S	C	.	.			trans	-139.5	-179.4	176.2	62.4	57.2	0	0	0	110.1	N49 E56 S57 P58	N49-N54 WeakPolarHBondContact CB-O 3.4Å; N49-N54 CarbonylContact O-C 3.49Å; N49-N54 WeakPolarHBondContact O-CA 3.19Å; N54-E56 VanDerWaalsContact C-N 3.3Å; N54-E56 PolarHBondContact O-N 3.01Å; N54-E56 WeakPolarHBondContact OD1-CB 3.49Å; N54-E56 PolarHBondContact OD1-N 2.97Å; N54-S57 PolarHBondContact N-O 3.41Å; N54-S57 VanDerWaalsContact N-O 3.1Å; N54-S57 CarbonylContact O-C 3.55Å; N54-S57 VanDerWaalsContact O-C 3.23Å; N54-S57 PolarHBondContact O-N 3.45Å; N54-S57 PolarHBondContact OD1-N 3.14Å; N54-P58 WeakPolarHBondContact O-CA 3.33Å; N54-P58 VanDerWaalsContact O-N 3.12Å
55	D	92.6	Very high	94.8	Very high	135 Å²	135	38.9 Å²	38.9	72%	0.722	20%	0.198	S	C	*	.	S	Bend	trans	-65.1	-29.1	-176.9	-68.2	-35.3	0	0	0	113.9	N49	N49-D55 PolarHBondContact ND2-OD1 3.13Å
56	E	93.7	Very high	94.7	Very high	178 Å²	178	43.1 Å²	43.1	83%	0.832	22%	0.219	S	C	*	.	S	Bend	trans	-84.9	-32.8	178.8	-62.2	173.9	179.6	0	0	112.1	N54	N54-E56 VanDerWaalsContact C-N 3.3Å; N54-E56 PolarHBondContact O-N 3.01Å; N54-E56 WeakPolarHBondContact OD1-CB 3.49Å; N54-E56 PolarHBondContact OD1-N 2.97Å
57	S	93.4	Very high	94.7	Very high	60 Å²	60	45.1 Å²	45.1	42%	0.42	23%	0.23	S	C	.	.	S	Bend	trans	-138.2	79.1	-176.1	-67	0	0	0	0	109.4	G53 N54	G53-S57 WeakPolarHBondContact CA-O 3.47Å; N54-S57 PolarHBondContact N-O 3.41Å; N54-S57 VanDerWaalsContact N-O 3.1Å; N54-S57 CarbonylContact O-C 3.55Å; N54-S57 VanDerWaalsContact O-C 3.23Å; N54-S57 PolarHBondContact O-N 3.45Å; N54-S57 PolarHBondContact OD1-N 3.14Å
58	P	95.3	Very high	94.6	Very high	33 Å²	33	52.2 Å²	52.2	21%	0.214	27%	0.268	C	S	.	.			trans	-63.1	142.2	178.4	26.2	-34	0	0	0	109.7	N49 N54 Q144 C148	N49-P58 HydrophobicContact CB-CB 4.41Å; N54-P58 WeakPolarHBondContact O-CA 3.33Å; N54-P58 VanDerWaalsContact O-N 3.12Å; P58-Q144 PolarHBondContact O-NE2 3.15Å; P58-C148 PolarHBondContact O-SG 3.12Å
59	G	96.9	Very high	94.7	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	174.8	168.9	0	0	0	0	0	111.3	G47 D48 N155	G47-G59 CarbonylContact C-O 3.03Å; G47-G59 VanDerWaalsContact CA-O 3.23Å; G47-G59 WeakPolarHBondContact CA-O 3.26Å; D48-G59 PolarHBondContact N-O 2.68Å; D48-G59 PolarHBondContact O-N 3.05Å; G59-N155 VanDerWaalsContact C-OD1 3.24Å; G59-N155 WeakPolarHBondContact CA-OD1 3.31Å
60	R	97.8	Very high	94.8	Very high	18 Å²	18	57.2 Å²	57.2	7%	0.068	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	127.7	167.7	-76	-178.8	175.3	-94.6	2.3	111.2	F44 H46 L133 G134 I141 I145 N155	F44-R60 HydrophobicContact CB-CB 4.47Å; F44-R60 WeakPolarHBondContact O-CD 3.24Å; F44-R60 PolarHBondContact O-NH1 3.45Å; H46-R60 CarbonylContact O-C 3.23Å; H46-R60 WeakPolarHBondContact O-CA 3.43Å; R60-L133 HydrophobicContact CG-CD1 3.81Å; R60-G134 PolarHBondContact NH1-O 3.07Å; R60-G134 VanDerWaalsContact NH1-O 3.1Å; R60-I141 HydrophobicContact CB-CG2 4.41Å; R60-I145 HydrophobicContact CB-CD1 4.18Å; R60-I145 HydrophobicContact CB-CG1 4Å; R60-N155 PolarHBondContact N-OD1 3.5Å; R60-N155 PolarHBondContact O-ND2 3.48Å; R60-N155 PolarHBondContact O-OD1 3.26Å
61	V	96.5	Very high	95.1	Very high	9 Å²	9	57.1 Å²	57.1	6%	0.055	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	166.2	174.4	-64	0	0	0	0	109.9	F44 H46 D48 R52 Y158	F44-V61 CarbonylContact C-O 3.27Å; F44-V61 WeakPolarHBondContact CA-O 3.4Å; H46-V61 HydrophobicContact CB-CG2 4.17Å; H46-V61 PolarHBondContact N-O 2.76Å; H46-V61 PolarHBondContact O-N 2.92Å; D48-V61 HydrophobicContact CB-CG1 3.81Å; D48-V61 HydrophobicContact CB-CG2 4.01Å; R52-V61 HydrophobicContact CB-CG1 4.41Å; R52-V61 HydrophobicContact CG-CG1 4.16Å; V61-Y158 HydrophobicContact CB-CE1 4.15Å; V61-Y158 HydrophobicContact CB-CE2 4.18Å; V61-Y158 HydrophobicContact CG1-CD1 4.49Å; V61-Y158 HydrophobicContact CG1-CD2 4.17Å; V61-Y158 HydrophobicContact CG1-CE1 4.26Å; V61-Y158 HydrophobicContact CG1-CE2 3.89Å; V61-Y158 HydrophobicContact CG1-CG 4.46Å
62	V	97.4	Very high	95.5	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.024	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	143.2	-177.7	-63	0	0	0	0	112.9	Y18 G19 R42 R43 F44 Y158 L162	Y18-V62 HydrophobicContact CD2-CG2 3.8Å; Y18-V62 HydrophobicContact CE2-CG2 4.02Å; G19-V62 VanDerWaalsContact CA-CG2 3.43Å; R42-V62 HydrophobicContact CG-CB 3.7Å; R42-V62 HydrophobicContact CG-CG1 3.71Å; R42-V62 HydrophobicContact CG-CG2 4.13Å; R43-V62 CarbonylContact O-C 3.58Å; R43-V62 VanDerWaalsContact O-CA 3.26Å; R43-V62 WeakPolarHBondContact O-CA 3.38Å; F44-V62 HydrophobicContact CD1-CG1 4.04Å; F44-V62 HydrophobicContact CD2-CG1 3.53Å; F44-V62 HydrophobicContact CE1-CG1 3.93Å; F44-V62 HydrophobicContact CE2-CG1 3.38Å; F44-V62 HydrophobicContact CG-CG1 3.86Å; F44-V62 HydrophobicContact CZ-CG1 3.6Å; V62-Y158 HydrophobicContact CG1-CE1 4.42Å; V62-Y158 HydrophobicContact CG2-CE1 4.47Å; V62-Y158 WeakPolarHBondContact CG2-OH 3.47Å; V62-Y158 PolarHBondContact N-OH 3.09Å; V62-Y158 VanDerWaalsContact N-OH 3.15Å; V62-L162 HydrophobicContact CG1-CD2 3.76Å; V62-L162 HydrophobicContact CG2-CD2 4.19Å
63	T	95.9	Very high	95.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	173.8	161.7	-167.2	0	0	0	0	109.7	R42 R43 H46 I65 A125 F132	R42-T63 WeakPolarHBondContact CA-O 3.13Å; R43-T63 PolarHBondContact N-O 2.85Å; R43-T63 PolarHBondContact O-N 2.97Å; H46-T63 HydrophobicContact CB-CG2 4.18Å; T63-I65 HydrophobicContact CG2-CD1 3.96Å; T63-A125 WeakPolarHBondContact OG1-CB 3.3Å; T63-A125 PolarHBondContact OG1-N 2.8Å; T63-A125 PolarHBondContact OG1-O 3.15Å; T63-F132 HydrophobicContact CG2-CE2 4.42Å
64	L	96.7	Very high	95.8	Very high	5 Å²	5	54.6 Å²	54.6	3%	0.026	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	134.6	173	-63.2	-178.9	0	0	0	110.5	Y18 I37 Y40 K41 R42 T72 V122 I124	Y18-L64 HydrophobicContact CD1-CD1 3.61Å; Y18-L64 HydrophobicContact CD1-CD2 4.17Å; Y18-L64 HydrophobicContact CD1-CG 3.83Å; Y18-L64 HydrophobicContact CD2-CD2 3.79Å; Y18-L64 HydrophobicContact CD2-CG 3.92Å; Y18-L64 HydrophobicContact CE1-CD1 3.66Å; Y18-L64 HydrophobicContact CE1-CG 3.75Å; Y18-L64 HydrophobicContact CE2-CD2 4.2Å; Y18-L64 HydrophobicContact CE2-CG 3.86Å; Y18-L64 HydrophobicContact CG-CD1 4.1Å; Y18-L64 HydrophobicContact CG-CD2 3.78Å; Y18-L64 HydrophobicContact CG-CG 3.9Å; I37-L64 HydrophobicContact CD1-CD1 3.66Å; Y40-L64 HydrophobicContact CD1-CB 3.92Å; Y40-L64 HydrophobicContact CG-CB 4.29Å; Y40-L64 HydrophobicContact CG-CD1 4.29Å; K41-L64 WeakPolarHBondContact O-CA 3.34Å; R42-L64 HydrophobicContact CB-CD2 4.32Å; L64-T72 HydrophobicContact CD2-CG2 3.87Å; L64-V122 HydrophobicContact CD1-CG2 3.69Å; L64-I124 HydrophobicContact CB-CD1 4.24Å; L64-I124 HydrophobicContact CB-CG1 4.21Å; L64-I124 HydrophobicContact CB-CG2 4.05Å; L64-I124 HydrophobicContact CD1-CD1 4.14Å; L64-I124 HydrophobicContact CD1-CG1 4.06Å; L64-I124 WeakPolarHBondContact O-CG2 3.37Å
65	I	95.8	Very high	96	Very high	37 Å²	37	51.9 Å²	51.9	19%	0.19	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	135.3	173.1	-51.3	-62.1	0	0	0	107.3	Y40 K41 R43 W45 T63 D67 F132	Y40-I65 CarbonylContact C-O 3.52Å; Y40-I65 VanDerWaalsContact CA-O 3.31Å; Y40-I65 WeakPolarHBondContact CA-O 3.41Å; K41-I65 HydrophobicContact CD-CB 4.42Å; K41-I65 HydrophobicContact CG-CB 3.82Å; K41-I65 WeakPolarHBondContact CG-O 3.35Å; K41-I65 PolarHBondContact N-O 3.19Å; K41-I65 PolarHBondContact O-N 2.72Å; R43-I65 HydrophobicContact CB-CG1 4.18Å; R43-I65 HydrophobicContact CG-CG1 4.04Å; W45-I65 HydrophobicContact CE3-CD1 3.82Å; W45-I65 HydrophobicContact CE3-CG1 3.68Å; W45-I65 HydrophobicContact CZ3-CD1 4.2Å; W45-I65 HydrophobicContact CZ3-CG1 3.76Å; W45-I65 HydrophobicContact CZ3-CG2 4.39Å; T63-I65 HydrophobicContact CG2-CD1 3.96Å; I65-D67 PolarHBondContact O-N 2.84Å; I65-F132 HydrophobicContact CD1-CE2 4.04Å; I65-F132 HydrophobicContact CD1-CZ 4.32Å
66	E	95.1	Very high	96.2	Very high	125 Å²	125	45.5 Å²	45.5	58%	0.584	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-59.9	133.7	175.9	-70.2	176.9	179.2	0	0	110.5	G39 Y40 K104	G39-E66 WeakPolarHBondContact O-CA 3.14Å; Y40-E66 HydrophobicContact CD1-CG 4.13Å; Y40-E66 HydrophobicContact CE1-CG 3.6Å; E66-K104 IonicContact OE1-NZ 3.3Å; E66-K104 PolarHBondContact OE1-NZ 2.97Å
67	D	95.6	Very high	96.3	Very high	48 Å²	48	37.2 Å²	37.2	26%	0.257	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	102.5	179.5	-167.2	-30.3	0	0	0	107.9	G39 Y40 K41 I65 D69 A70	G39-D67 CarbonylContact C-O 3Å; G39-D67 WeakPolarHBondContact CA-O 3.42Å; G39-D67 PolarHBondContact O-N 2.9Å; Y40-D67 PolarHBondContact N-O 2.88Å; K41-D67 HydrophobicContact CB-CB 4.27Å; K41-D67 HydrophobicContact CD-CB 4.02Å; K41-D67 VanDerWaalsContact CD-OD2 3.29Å; K41-D67 WeakPolarHBondContact CD-OD2 3.23Å; K41-D67 WeakPolarHBondContact CE-OD2 3.44Å; K41-D67 HydrophobicContact CG-CB 4Å; K41-D67 IonicContact NZ-OD2 2.61Å; K41-D67 PolarHBondContact NZ-OD2 3.31Å; I65-D67 PolarHBondContact O-N 2.84Å; D67-D69 PolarHBondContact O-N 2.92Å; D67-D69 VanDerWaalsContact O-N 3.14Å; D67-A70 HydrophobicContact CB-CB 3.66Å; D67-A70 WeakPolarHBondContact O-CB 3.46Å; D67-A70 PolarHBondContact O-N 2.78Å
68	D	93.2	Very high	96.4	Very high	148 Å²	148	35.1 Å²	35.1	79%	0.791	19%	0.188	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-60	-27.3	-168.6	-68.6	-21.8	0	0	0	113.2
69	D	94.1	Very high	96.1	Very high	162 Å²	162	33.6 Å²	33.6	87%	0.866	18%	0.177	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	0.6	-179.5	-61.6	-46.1	0	0	0	112.8	D67	D67-D69 PolarHBondContact O-N 2.92Å; D67-D69 VanDerWaalsContact O-N 3.14Å
70	A	96	Very high	95.6	Very high	18 Å²	18	35.2 Å²	35.2	15%	0.149	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	141.3	-174	0	0	0	0	0	113.5	E38 G39 Y40 K41 D67	E38-A70 CarbonylContact C-O 3.54Å; G39-A70 PolarHBondContact N-O 2.86Å; Y40-A70 PolarHBondContact N-O 2.86Å; K41-A70 HydrophobicContact CB-CB 3.96Å; D67-A70 HydrophobicContact CB-CB 3.66Å; D67-A70 WeakPolarHBondContact O-CB 3.46Å; D67-A70 PolarHBondContact O-N 2.78Å
71	T	96.7	Very high	94.6	Very high	74 Å²	74	36.9 Å²	36.9	45%	0.454	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	138.1	167.1	60.3	0	0	0	0	110.7	Y36 I37 E38 Y40	Y36-T71 HydrophobicContact CD2-CG2 4.02Å; Y36-T71 HydrophobicContact CE2-CG2 4.27Å; I37-T71 CarbonylContact O-C 3.59Å; I37-T71 WeakPolarHBondContact O-CA 3.32Å; E38-T71 HydrophobicContact CG-CG2 4.25Å; Y40-T71 CarbonylContact O-C 3.54Å
72	T	98.3	Very high	93.3	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.018	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	120.8	170.2	-69.2	0	0	0	0	110.9	F16 Y36 I37 Y40 R42 L64	F16-T72 WeakPolarHBondContact CZ-O 3.22Å; Y36-T72 VanDerWaalsContact CA-O 3.24Å; Y36-T72 WeakPolarHBondContact CA-O 3.35Å; Y36-T72 WeakPolarHBondContact CB-O 3.33Å; I37-T72 PolarHBondContact N-O 2.83Å; I37-T72 PolarHBondContact O-N 3.49Å; Y40-T72 PolarHBondContact O-OG1 3.11Å; R42-T72 HydrophobicContact CB-CG2 4.01Å; R42-T72 PolarHBondContact N-OG1 2.78Å; L64-T72 HydrophobicContact CD2-CG2 3.87Å
73	W	98.4	Very high	92	Very high	23 Å²	23	43 Å²	43	9%	0.087	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	142.9	176.4	-74.8	74	0	0	0	112.7	V34 G35 Y36 R42 H111 M166 C170 H172 V173	V34-W73 HydrophobicContact CG1-CE3 4.22Å; V34-W73 HydrophobicContact CG1-CZ3 4.36Å; G35-W73 WeakPolarHBondContact O-CA 3.35Å; Y36-W73 HydrophobicContact CD1-CD2 4.41Å; Y36-W73 AromaticContact CD1-CE2 3.81Å; Y36-W73 AromaticContact CD1-CH2 3.95Å; Y36-W73 HydrophobicContact CD1-CH2 3.95Å; Y36-W73 AromaticContact CD1-CZ2 3.56Å; Y36-W73 HydrophobicContact CD1-CZ2 3.56Å; Y36-W73 HydrophobicContact CE1-CZ2 4.19Å; Y36-W73 HydrophobicContact CG-CZ2 4.3Å; R42-W73 PolarHBondContact NH1-O 2.9Å; W73-H111 HydrophobicContact CH2-CB 4.35Å; W73-H111 AromaticContact CH2-ND1 3.45Å; W73-H111 WeakPolarHBondContact CH2-ND1 3.26Å; W73-H111 HydrophobicContact CZ3-CB 3.94Å; W73-H111 AromaticContact CZ3-CG 3.96Å; W73-H111 AromaticContact CZ3-ND1 3.7Å; W73-M166 HydrophobicContact CB-CE 4.11Å; W73-M166 HydrophobicContact CB-SD 4.33Å; W73-C170 HydrophobicContact CE3-CB 4.35Å; W73-H172 AromaticContact CH2-CE1 3.69Å; W73-H172 AromaticContact CH2-NE2 3.05Å; W73-H172 WeakPolarHBondContact CH2-NE2 3.08Å; W73-H172 AromaticContact CZ2-NE2 3.29Å; W73-H172 VanDerWaalsContact CZ2-NE2 3.29Å; W73-H172 WeakPolarHBondContact CZ2-NE2 3.46Å; W73-H172 AromaticContact CZ3-CE1 3.86Å; W73-H172 AromaticContact CZ3-NE2 3.66Å; W73-V173 HydrophobicContact CD2-CG2 3.58Å; W73-V173 HydrophobicContact CE3-CG2 4.26Å; W73-V173 HydrophobicContact CG-CB 4.39Å; W73-V173 HydrophobicContact CG-CG1 4.03Å; W73-V173 HydrophobicContact CG-CG2 3.71Å; W73-V173 HydrophobicContact CZ2-CG2 3.97Å
74	G	98.3	Very high	90.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.2	-153.3	-176	0	0	0	0	0	112.5	G17 V34 G35	G17-G74 VanDerWaalsContact O-CA 3.29Å; G17-G74 WeakPolarHBondContact O-CA 2.95Å; V34-G74 WeakPolarHBondContact CA-O 3.29Å; G35-G74 PolarHBondContact N-O 2.87Å; G35-G74 VanDerWaalsContact N-O 3.15Å; G35-G74 PolarHBondContact O-N 3.15Å
75	V	98.3	Very high	89.7	Confident	10 Å²	10	51.3 Å²	51.3	6%	0.061	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	130.5	-179.2	-175	0	0	0	0	109.8	G17 V22 E33 V34 F77 F165	G17-V75 PolarHBondContact N-O 3.32Å; G17-V75 PolarHBondContact O-N 2.87Å; V22-V75 HydrophobicContact CB-CG2 4.07Å; V22-V75 HydrophobicContact CG1-CG2 4.13Å; E33-V75 CarbonylContact O-C 3.58Å; E33-V75 WeakPolarHBondContact O-CA 3.42Å; V34-V75 HydrophobicContact CG2-CG2 4.26Å; V75-F77 HydrophobicContact CB-CE2 3.81Å; V75-F77 HydrophobicContact CB-CZ 3.84Å; V75-F77 HydrophobicContact CG1-CD1 4.41Å; V75-F77 HydrophobicContact CG1-CD2 4.27Å; V75-F77 HydrophobicContact CG1-CE1 3.84Å; V75-F77 HydrophobicContact CG1-CE2 3.68Å; V75-F77 HydrophobicContact CG1-CZ 3.43Å; V75-F77 VanDerWaalsContact CG1-CZ 3.43Å; V75-F165 HydrophobicContact CG2-CE2 3.47Å; V75-F165 VanDerWaalsContact CG2-CE2 3.47Å; V75-F165 HydrophobicContact CG2-CZ 3.56Å
76	A	97.6	Very high	88.5	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	137.4	169.4	0	0	0	0	0	110.7	W14 I15 F16 S32 E33 F108	W14-A76 HydrophobicContact CE3-CB 3.63Å; W14-A76 HydrophobicContact CZ3-CB 4.18Å; I15-A76 CarbonylContact O-C 3.54Å; I15-A76 WeakPolarHBondContact O-CA 3.46Å; F16-A76 HydrophobicContact CD2-CB 4.44Å; S32-A76 CarbonylContact C-O 3.6Å; S32-A76 WeakPolarHBondContact CA-O 3.35Å; E33-A76 PolarHBondContact N-O 3.28Å; E33-A76 PolarHBondContact O-N 2.86Å; A76-F108 HydrophobicContact CB-CD1 3.53Å; A76-F108 HydrophobicContact CB-CD2 3.91Å; A76-F108 HydrophobicContact CB-CE1 3.41Å; A76-F108 VanDerWaalsContact CB-CE1 3.41Å; A76-F108 HydrophobicContact CB-CE2 3.77Å; A76-F108 HydrophobicContact CB-CG 3.78Å; A76-F108 HydrophobicContact CB-CZ 3.52Å
77	F	95.6	Very high	87.3	Confident	4 Å²	4	49.8 Å²	49.8	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	121.2	-178.7	-58.9	-91.4	0	0	0	110.7	W14 I15 L21 P25 F27 Y29 S32 V75 V79	W14-F77 CarbonylContact C-O 3.57Å; W14-F77 VanDerWaalsContact CA-O 3.3Å; W14-F77 WeakPolarHBondContact CA-O 3.16Å; I15-F77 PolarHBondContact N-O 3.05Å; I15-F77 PolarHBondContact O-N 2.91Å; L21-F77 HydrophobicContact CB-CE2 4.3Å; L21-F77 VanDerWaalsContact O-CZ 3.26Å; L21-F77 WeakPolarHBondContact O-CZ 3.05Å; P25-F77 HydrophobicContact CB-CD1 4.45Å; P25-F77 HydrophobicContact CB-CE1 3.99Å; P25-F77 HydrophobicContact CB-CZ 4.05Å; P25-F77 HydrophobicContact CG-CE1 4.13Å; P25-F77 HydrophobicContact CG-CZ 4.4Å; F27-F77 HydrophobicContact CE2-CB 3.78Å; F27-F77 HydrophobicContact CE2-CG 4.1Å; F27-F77 HydrophobicContact CZ-CB 3.93Å; F27-F77 HydrophobicContact CZ-CD2 4.01Å; F27-F77 AromaticContact CZ-CG 3.91Å; F27-F77 HydrophobicContact CZ-CG 3.91Å; Y29-F77 AromaticContact CD1-CD1 3.66Å; Y29-F77 HydrophobicContact CD1-CD1 3.66Å; Y29-F77 HydrophobicContact CD1-CE1 4.29Å; Y29-F77 AromaticContact CD2-CD1 3.92Å; Y29-F77 HydrophobicContact CD2-CD1 3.92Å; Y29-F77 AromaticContact CE1-CD1 3.73Å; Y29-F77 HydrophobicContact CE1-CD1 3.73Å; Y29-F77 AromaticContact CE1-CE1 3.91Å; Y29-F77 HydrophobicContact CE1-CE1 3.91Å; Y29-F77 AromaticContact CE2-CD1 3.97Å; Y29-F77 HydrophobicContact CE2-CD1 3.97Å; Y29-F77 HydrophobicContact CE2-CE1 4.39Å; Y29-F77 HydrophobicContact CG-CB 4.26Å; Y29-F77 AromaticContact CG-CD1 3.76Å; Y29-F77 HydrophobicContact CG-CD1 3.76Å; Y29-F77 HydrophobicContact CG-CG 4.48Å; Y29-F77 AromaticContact CZ-CD1 3.87Å; Y29-F77 AromaticContact CZ-CE1 3.95Å; S32-F77 VanDerWaalsContact CB-CD1 3.5Å; V75-F77 HydrophobicContact CB-CE2 3.81Å; V75-F77 HydrophobicContact CB-CZ 3.84Å; V75-F77 HydrophobicContact CG1-CD1 4.41Å; V75-F77 HydrophobicContact CG1-CD2 4.27Å; V75-F77 HydrophobicContact CG1-CE1 3.84Å; V75-F77 HydrophobicContact CG1-CE2 3.68Å; V75-F77 HydrophobicContact CG1-CZ 3.43Å; V75-F77 VanDerWaalsContact CG1-CZ 3.43Å; F77-V79 PolarHBondContact O-N 3.32Å
78	E	93.9	Very high	86.1	Confident	17 Å²	17	47.8 Å²	47.8	8%	0.079	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	116.9	175.4	-168.5	-176.2	173.2	0	0	110.1	S12 W14 Y29 K30 R31	S12-E78 VanDerWaalsContact OG-CG 3.24Å; S12-E78 WeakPolarHBondContact OG-CG 3.44Å; S12-E78 PolarHBondContact OG-OE1 2.92Å; W14-E78 HydrophobicContact CD2-CB 3.91Å; W14-E78 HydrophobicContact CD2-CG 4.38Å; W14-E78 HydrophobicContact CE3-CB 3.96Å; W14-E78 HydrophobicContact CH2-CB 3.84Å; W14-E78 HydrophobicContact CZ2-CB 3.75Å; W14-E78 HydrophobicContact CZ2-CG 4.1Å; W14-E78 HydrophobicContact CZ3-CB 3.94Å; Y29-E78 CarbonylContact C-O 3.57Å; Y29-E78 WeakPolarHBondContact CB-O 3.19Å; K30-E78 PolarHBondContact N-O 2.64Å; K30-E78 IonicContact NZ-OE1 2.76Å; R31-E78 HydrophobicContact CG-CB 3.94Å; R31-E78 IonicContact CZ-OE2 2.69Å; R31-E78 IonicContact NE-OE2 3.69Å; R31-E78 PolarHBondContact NE-OE2 2.89Å; R31-E78 IonicContact NH2-OE2 3.73Å; R31-E78 PolarHBondContact NH2-OE2 2.98Å; R31-E78 PolarHBondContact O-N 2.69Å
79	V	90.7	Very high	85	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	137	175.7	-65.6	0	0	0	0	110.4	S12 L13 I15 F27 F77 L84	S12-V79 CarbonylContact C-O 3.56Å; S12-V79 WeakPolarHBondContact CA-O 3.23Å; S12-V79 PolarHBondContact OG-O 3.39Å; L13-V79 HydrophobicContact CB-CG2 4.13Å; L13-V79 PolarHBondContact N-O 3.47Å; L13-V79 VanDerWaalsContact O-CG2 3.23Å; L13-V79 WeakPolarHBondContact O-CG2 3.47Å; L13-V79 PolarHBondContact O-N 3.45Å; I15-V79 HydrophobicContact CD1-CG1 4.1Å; I15-V79 HydrophobicContact CD1-CG2 3.67Å; I15-V79 HydrophobicContact CG1-CG2 4.25Å; F27-V79 HydrophobicContact CD2-CG1 3.94Å; F27-V79 HydrophobicContact CE2-CG1 3.81Å; F77-V79 PolarHBondContact O-N 3.32Å; V79-L84 HydrophobicContact CG2-CD1 3.65Å
80	S	86.3	Confident	83.8	Confident	35 Å²	35	44.3 Å²	44.3	25%	0.245	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	159.4	-174.6	66.4	0	0	0	0	113.5	S82 Q83	S80-S82 PolarHBondContact O-N 2.95Å; S80-Q83 VanDerWaalsContact O-CB 3.27Å; S80-Q83 WeakPolarHBondContact O-CB 3.27Å; S80-Q83 PolarHBondContact O-N 2.84Å
81	G	76.9	Confident	82.3	Confident	52 Å²	52	43.6 Å²	43.6	54%	0.536	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	-132.5	174	0	0	0	0	0	114	S11 Q83 L84	S11-G81 PolarHBondContact O-N 3.39Å; G81-Q83 PolarHBondContact O-N 2.96Å; G81-L84 WeakPolarHBondContact O-CB 3.35Å; G81-L84 PolarHBondContact O-N 2.99Å
82	S	69.3	Low	81	Confident	92 Å²	92	41.2 Å²	41.2	64%	0.643	21%	0.214	S	C	*	.	H	α-helix	trans	-63.8	-27.7	178.5	51.5	0	0	0	0	113.3	S80 L84 K85	S80-S82 PolarHBondContact O-N 2.95Å; S82-L84 PolarHBondContact O-N 3.37Å; S82-K85 PolarHBondContact O-N 3.18Å
83	Q	70.3	Confident	79.2	Confident	50 Å²	50	45.2 Å²	45.2	23%	0.234	24%	0.238	C	C	.	.	H	α-helix	trans	-65.7	-28.9	179.7	-54.1	171	-32.7	0	0	112	K28 S80 G81 S87	K28-Q83 HydrophobicContact CB-CG 4.26Å; S80-Q83 VanDerWaalsContact O-CB 3.27Å; S80-Q83 WeakPolarHBondContact O-CB 3.27Å; S80-Q83 PolarHBondContact O-N 2.84Å; G81-Q83 PolarHBondContact O-N 2.96Å; Q83-S87 VanDerWaalsContact O-CB 3.24Å; Q83-S87 WeakPolarHBondContact O-CB 3.33Å; Q83-S87 PolarHBondContact O-N 3.04Å; Q83-S87 PolarHBondContact O-OG 3.32Å
84	L	72	Confident	77.4	Confident	10 Å²	10	47.1 Å²	47.1	5%	0.052	25%	0.246	C	C	.	.	H	α-helix	trans	-61	-54.1	-179.8	-175.4	60.6	0	0	0	110.4	I7 L13 V79 G81 S82 E86 S87 L88	I7-L84 HydrophobicContact CG2-CD1 4.47Å; I7-L84 HydrophobicContact CG2-CD2 3.49Å; I7-L84 VanDerWaalsContact CG2-CD2 3.49Å; I7-L84 HydrophobicContact CG2-CG 4.05Å; L13-L84 HydrophobicContact CB-CD1 3.47Å; L13-L84 VanDerWaalsContact CB-CD1 3.47Å; L13-L84 HydrophobicContact CD2-CD1 3.96Å; L13-L84 HydrophobicContact CG-CD1 4.37Å; V79-L84 HydrophobicContact CG2-CD1 3.65Å; G81-L84 WeakPolarHBondContact O-CB 3.35Å; G81-L84 PolarHBondContact O-N 2.99Å; S82-L84 PolarHBondContact O-N 3.37Å; L84-E86 VanDerWaalsContact C-N 3.34Å; L84-E86 PolarHBondContact O-N 3.16Å; L84-S87 PolarHBondContact O-N 3.24Å; L84-L88 HydrophobicContact CD1-CD1 3.57Å; L84-L88 HydrophobicContact CD1-CG 4.37Å; L84-L88 HydrophobicContact CG-CD1 3.77Å; L84-L88 VanDerWaalsContact O-CB 3.29Å; L84-L88 WeakPolarHBondContact O-CB 3.3Å; L84-L88 VanDerWaalsContact O-CD1 3.22Å; L84-L88 WeakPolarHBondContact O-CD1 3.39Å; L84-L88 VanDerWaalsContact O-CG 3.24Å; L84-L88 WeakPolarHBondContact O-CG 3.42Å; L84-L88 PolarHBondContact O-N 3.49Å
85	K	71.1	Confident	75.6	Confident	170 Å²	170	48.2 Å²	48.2	74%	0.739	25%	0.251	S	S	*	.	H	α-helix	trans	-62	-40.5	-179.3	-70.1	-175.5	-179.4	179.2	0	112.3	S82 K89	S82-K85 PolarHBondContact O-N 3.18Å; K85-K89 WeakPolarHBondContact O-CB 3.3Å; K85-K89 PolarHBondContact O-N 3.24Å
86	E	71.8	Confident	73.4	Confident	125 Å²	125	52.3 Å²	52.3	58%	0.584	28%	0.276	S	S	*	.	H	α-helix	trans	-69.3	-47.1	179.4	-70.2	179.3	176.5	0	0	112.2	L84 L88 K89 Y90	L84-E86 VanDerWaalsContact C-N 3.34Å; L84-E86 PolarHBondContact O-N 3.16Å; E86-L88 VanDerWaalsContact C-N 3.34Å; E86-L88 PolarHBondContact O-N 3.27Å; E86-K89 PolarHBondContact O-N 2.93Å; E86-Y90 WeakPolarHBondContact O-CB 3.16Å; E86-Y90 PolarHBondContact O-N 2.89Å
87	S	68.7	Low	71.1	Confident	4 Å²	4	57.5 Å²	57.5	3%	0.028	31%	0.307	C	S	.	.	H	α-helix	trans	-64	-41.6	-179.9	-54.3	0	0	0	0	111.2	Q83 L84 Y90 L91	Q83-S87 VanDerWaalsContact O-CB 3.24Å; Q83-S87 WeakPolarHBondContact O-CB 3.33Å; Q83-S87 PolarHBondContact O-N 3.04Å; Q83-S87 PolarHBondContact O-OG 3.32Å; L84-S87 PolarHBondContact O-N 3.24Å; S87-Y90 PolarHBondContact O-N 3.04Å; S87-L91 WeakPolarHBondContact O-CB 3.36Å; S87-L91 VanDerWaalsContact O-CG 3.25Å; S87-L91 WeakPolarHBondContact O-CG 3.46Å; S87-L91 PolarHBondContact O-N 3.46Å
88	L	71.4	Confident	68.9	Low	7 Å²	7	66.2 Å²	66.2	4%	0.037	34%	0.34	C	S	.	.	H	α-helix	trans	-71.7	-35.8	176.1	-70.7	161.1	0	0	0	112.7	I7 L13 L84 E86 Y90 N92 L121	I7-L88 HydrophobicContact CD1-CD1 3.06Å; I7-L88 HydrophobicContact CD1-CD2 4.16Å; I7-L88 HydrophobicContact CD1-CG 4.15Å; I7-L88 HydrophobicContact CG1-CD1 3.78Å; L13-L88 HydrophobicContact CD2-CD1 4.4Å; L13-L88 HydrophobicContact CD2-CD2 4.06Å; L84-L88 HydrophobicContact CD1-CD1 3.57Å; L84-L88 HydrophobicContact CD1-CG 4.37Å; L84-L88 HydrophobicContact CG-CD1 3.77Å; L84-L88 VanDerWaalsContact O-CB 3.29Å; L84-L88 WeakPolarHBondContact O-CB 3.3Å; L84-L88 VanDerWaalsContact O-CD1 3.22Å; L84-L88 WeakPolarHBondContact O-CD1 3.39Å; L84-L88 VanDerWaalsContact O-CG 3.24Å; L84-L88 WeakPolarHBondContact O-CG 3.42Å; L84-L88 PolarHBondContact O-N 3.49Å; E86-L88 VanDerWaalsContact C-N 3.34Å; E86-L88 PolarHBondContact O-N 3.27Å; L88-Y90 VanDerWaalsContact C-N 3.32Å; L88-N92 WeakPolarHBondContact O-CB 3.26Å; L88-N92 PolarHBondContact O-N 3.19Å; L88-N92 PolarHBondContact O-ND2 3.09Å; L88-N92 VanDerWaalsContact O-ND2 3.17Å; L88-N92 PolarHBondContact O-OD1 3.26Å; L88-L121 HydrophobicContact CD2-CD2 3.67Å
89	K	70.1	Confident	67	Low	152 Å²	152	65.8 Å²	65.8	66%	0.661	34%	0.34	S	S	*	.	H	α-helix	trans	-63.5	-43.2	172.3	-176.1	177.2	179.3	-177.2	0	110.3	K85 E86 N92 V93	K85-K89 WeakPolarHBondContact O-CB 3.3Å; K85-K89 PolarHBondContact O-N 3.24Å; E86-K89 PolarHBondContact O-N 2.93Å; K89-N92 PolarHBondContact O-N 2.71Å; K89-V93 HydrophobicContact CG-CG2 4.48Å; K89-V93 WeakPolarHBondContact O-CB 3.26Å; K89-V93 WeakPolarHBondContact O-CG2 3.13Å; K89-V93 PolarHBondContact O-N 2.84Å
90	Y	67.8	Low	65.8	Low	85 Å²	85	68 Å²	68	33%	0.333	36%	0.363	S	S	.	.	H	α-helix	trans	-60.7	-51.2	175.6	172.4	-97.7	0	0	0	111.6	D26 E86 S87 L88 N92 V93 R94	D26-Y90 HydrophobicContact CB-CE1 4.38Å; E86-Y90 WeakPolarHBondContact O-CB 3.16Å; E86-Y90 PolarHBondContact O-N 2.89Å; S87-Y90 PolarHBondContact O-N 3.04Å; L88-Y90 VanDerWaalsContact C-N 3.32Å; Y90-N92 PolarHBondContact O-N 3.24Å; Y90-V93 PolarHBondContact O-N 2.95Å; Y90-R94 VanDerWaalsContact O-CB 3.32Å; Y90-R94 WeakPolarHBondContact O-CB 3.45Å; Y90-R94 PolarHBondContact O-N 2.62Å; Y90-R94 PolarHBondContact OH-NH1 3.33Å
91	L	66.2	Low	65.2	Low	3 Å²	3	68.6 Å²	68.6	2%	0.016	36%	0.36	C	S	.	.	H	α-helix	trans	-65	-39.6	178.8	-68.9	169.5	0	0	0	111.7	I15 F27 S87 V93 R94 E95 Y123	I15-L91 HydrophobicContact CD1-CD1 3.69Å; I15-L91 HydrophobicContact CG1-CD1 4.41Å; I15-L91 HydrophobicContact CG2-CD1 3.97Å; F27-L91 HydrophobicContact CE1-CD1 4.47Å; S87-L91 WeakPolarHBondContact O-CB 3.36Å; S87-L91 VanDerWaalsContact O-CG 3.25Å; S87-L91 WeakPolarHBondContact O-CG 3.46Å; S87-L91 PolarHBondContact O-N 3.46Å; L91-V93 PolarHBondContact O-N 3.1Å; L91-R94 PolarHBondContact O-N 2.71Å; L91-E95 VanDerWaalsContact O-CB 3.23Å; L91-E95 WeakPolarHBondContact O-CB 3.44Å; L91-E95 WeakPolarHBondContact O-CG 3.25Å; L91-E95 PolarHBondContact O-N 3.31Å; L91-Y123 HydrophobicContact CB-CE1 4.12Å; L91-Y123 HydrophobicContact CB-CE2 3.93Å; L91-Y123 WeakPolarHBondContact CB-OH 3.45Å; L91-Y123 HydrophobicContact CD1-CE2 3.77Å; L91-Y123 HydrophobicContact CG-CE2 4.36Å
92	N	67.4	Low	65.5	Low	23 Å²	23	69.4 Å²	69.4	12%	0.123	35%	0.351	C	S	.	.	H	α-helix	trans	-68.3	-35.7	175.5	-66.3	-12	0	0	0	112.2	P3 L88 K89 Y90 R94 T96 Y123	P3-N92 VanDerWaalsContact CG-OD1 3.26Å; P3-N92 WeakPolarHBondContact CG-OD1 3.15Å; L88-N92 WeakPolarHBondContact O-CB 3.26Å; L88-N92 PolarHBondContact O-N 3.19Å; L88-N92 PolarHBondContact O-ND2 3.09Å; L88-N92 VanDerWaalsContact O-ND2 3.17Å; L88-N92 PolarHBondContact O-OD1 3.26Å; K89-N92 PolarHBondContact O-N 2.71Å; Y90-N92 PolarHBondContact O-N 3.24Å; N92-R94 VanDerWaalsContact C-N 3.34Å; N92-T96 WeakPolarHBondContact O-CA 3.24Å; N92-T96 WeakPolarHBondContact O-CB 3.27Å; N92-T96 PolarHBondContact O-N 2.9Å; N92-T96 PolarHBondContact O-OG1 3.18Å; N92-Y123 PolarHBondContact OD1-OH 2.87Å
93	V	60.8	Low	66.3	Low	87 Å²	87	66 Å²	66	53%	0.527	33%	0.326	S	S	.	.	H	α-helix	trans	-67.2	-40.1	173.5	167.8	0	0	0	0	110.7	K89 Y90 L91 E95	K89-V93 HydrophobicContact CG-CG2 4.48Å; K89-V93 WeakPolarHBondContact O-CB 3.26Å; K89-V93 WeakPolarHBondContact O-CG2 3.13Å; K89-V93 PolarHBondContact O-N 2.84Å; Y90-V93 PolarHBondContact O-N 2.95Å; L91-V93 PolarHBondContact O-N 3.1Å; V93-E95 VanDerWaalsContact C-N 3.34Å
94	R	60.5	Low	67.2	Low	64 Å²	64	66.2 Å²	66.2	24%	0.242	33%	0.327	C	S	.	.	H	α-helix	trans	-65.1	-37.4	178.2	-170	174.7	170.5	167.6	-6.3	112.1	S20 Y90 L91 N92	S20-R94 PolarHBondContact OG-NH2 2.9Å; Y90-R94 VanDerWaalsContact O-CB 3.32Å; Y90-R94 WeakPolarHBondContact O-CB 3.45Å; Y90-R94 PolarHBondContact O-N 2.62Å; Y90-R94 PolarHBondContact OH-NH1 3.33Å; L91-R94 PolarHBondContact O-N 2.71Å; N92-R94 VanDerWaalsContact C-N 3.34Å
95	E	60.5	Low	68.2	Low	23 Å²	23	68.2 Å²	68.2	11%	0.107	34%	0.337	C	S	.	.	H	α-helix	trans	-109.7	-28.3	-167.4	-57.4	-54.3	155.8	0	0	114.5	L91 V93 G99 Y101 Y123	L91-E95 VanDerWaalsContact O-CB 3.23Å; L91-E95 WeakPolarHBondContact O-CB 3.44Å; L91-E95 WeakPolarHBondContact O-CG 3.25Å; L91-E95 PolarHBondContact O-N 3.31Å; V93-E95 VanDerWaalsContact C-N 3.34Å; E95-G99 PolarHBondContact O-N 3.34Å; E95-Y101 HydrophobicContact CB-CD2 4.34Å; E95-Y101 HydrophobicContact CB-CG 4.17Å; E95-Y101 HydrophobicContact CG-CG 4.42Å; E95-Y101 WeakPolarHBondContact OE2-CD1 3.22Å; E95-Y101 WeakPolarHBondContact OE2-CD2 3.1Å; E95-Y101 WeakPolarHBondContact OE2-CE1 3.2Å; E95-Y101 WeakPolarHBondContact OE2-CE2 3.43Å; E95-Y101 VanDerWaalsContact OE2-CZ 3.24Å; E95-Y123 HydrophobicContact CB-CD1 3.92Å; E95-Y123 HydrophobicContact CB-CE1 4.31Å; E95-Y123 HydrophobicContact CG-CD1 3.74Å; E95-Y123 HydrophobicContact CG-CE1 4.28Å; E95-Y123 HydrophobicContact CG-CG 4.31Å
96	T	52	Low	69.4	Low	95 Å²	95	60.8 Å²	60.8	58%	0.583	31%	0.305	S	S	*	.	H	α-helix	trans	-95.1	-24.5	-174.1	-42.1	0	0	0	0	114	N92	N92-T96 WeakPolarHBondContact O-CA 3.24Å; N92-T96 WeakPolarHBondContact O-CB 3.27Å; N92-T96 PolarHBondContact O-N 2.9Å; N92-T96 PolarHBondContact O-OG1 3.18Å
97	V	49.6	Very low	70.6	Confident	109 Å²	109	58.5 Å²	58.5	66%	0.661	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-17.3	-178.9	-178.1	0	0	0	0	112.3
98	R	50.3	Low	72	Confident	188 Å²	188	58.3 Å²	58.3	71%	0.709	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.3	-13.6	-171.7	-70.1	-173.4	171.6	159.2	-2.3	116.5
99	G	53.7	Low	73.2	Confident	7 Å²	7	60 Å²	60	7%	0.072	30%	0.303	C	S	.	.	S	Bend	trans	-130.8	-1.7	-157.1	0	0	0	0	0	117.9	E95 Y101 N129	E95-G99 PolarHBondContact O-N 3.34Å; G99-Y101 WeakPolarHBondContact O-CD2 3.31Å; G99-Y101 WeakPolarHBondContact O-CE2 2.95Å; G99-Y101 PolarHBondContact O-N 3.45Å; G99-N129 PolarHBondContact O-ND2 3.34Å
100	G	64.5	Low	74.5	Confident	47 Å²	47	53.1 Å²	53.1	49%	0.485	27%	0.273	S	S	.	.			trans	58.4	23.6	174.6	0	0	0	0	0	116
101	Y	74.6	Confident	75.7	Confident	47 Å²	47	53.8 Å²	53.8	18%	0.184	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	140.2	178.5	-72.6	-120.8	0	0	0	110.4	H46 E95 G99 I124 A125	H46-Y101 PolarHBondContact ND1-OH 3.26Å; E95-Y101 HydrophobicContact CB-CD2 4.34Å; E95-Y101 HydrophobicContact CB-CG 4.17Å; E95-Y101 HydrophobicContact CG-CG 4.42Å; E95-Y101 WeakPolarHBondContact OE2-CD1 3.22Å; E95-Y101 WeakPolarHBondContact OE2-CD2 3.1Å; E95-Y101 WeakPolarHBondContact OE2-CE1 3.2Å; E95-Y101 WeakPolarHBondContact OE2-CE2 3.43Å; E95-Y101 VanDerWaalsContact OE2-CZ 3.24Å; G99-Y101 WeakPolarHBondContact O-CD2 3.31Å; G99-Y101 WeakPolarHBondContact O-CE2 2.95Å; G99-Y101 PolarHBondContact O-N 3.45Å; Y101-I124 CarbonylContact C-O 3.52Å; Y101-I124 WeakPolarHBondContact CA-O 3.08Å; Y101-I124 VanDerWaalsContact CD1-C 3.42Å; Y101-A125 HydrophobicContact CD1-CB 3.93Å; Y101-A125 VanDerWaalsContact CD1-N 3.27Å; Y101-A125 HydrophobicContact CD2-CB 4.05Å; Y101-A125 HydrophobicContact CE1-CB 3.6Å; Y101-A125 HydrophobicContact CE2-CB 3.68Å; Y101-A125 HydrophobicContact CG-CB 4.14Å; Y101-A125 VanDerWaalsContact CZ-CB 3.46Å
102	I	83.6	Confident	76.7	Confident	69 Å²	69	55.8 Å²	55.8	35%	0.354	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	157.9	166.1	66.6	171.1	0	0	0	109.9	K104 Y123 I124 T126	I102-K104 HydrophobicContact CD1-CD 4.42Å; I102-K104 HydrophobicContact CD1-CG 4.24Å; I102-Y123 CarbonylContact O-C 3.49Å; I102-Y123 WeakPolarHBondContact O-CA 3Å; I102-I124 HydrophobicContact CG1-CB 4.02Å; I102-I124 PolarHBondContact N-O 2.61Å; I102-I124 PolarHBondContact O-N 3.28Å; I102-T126 HydrophobicContact CB-CG2 4.26Å; I102-T126 HydrophobicContact CD1-CG2 3.66Å; I102-T126 HydrophobicContact CG1-CG2 3.69Å; I102-T126 HydrophobicContact CG2-CG2 3.65Å
103	T	85.4	Confident	77.1	Confident	20 Å²	20	63.3 Å²	63.3	12%	0.123	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	134.3	168.7	55.6	0	0	0	0	111.5	P3 L121 V122 Y123	P3-T103 HydrophobicContact CB-CG2 4.43Å; P3-T103 HydrophobicContact CG-CG2 3.67Å; T103-L121 HydrophobicContact CG2-CD1 4.32Å; T103-V122 VanDerWaalsContact CA-O 3.32Å; T103-V122 WeakPolarHBondContact CA-O 3.32Å; T103-Y123 HydrophobicContact CG2-CD1 3.51Å; T103-Y123 HydrophobicContact CG2-CD2 4.36Å; T103-Y123 HydrophobicContact CG2-CE1 3.38Å; T103-Y123 HydrophobicContact CG2-CE2 4.24Å; T103-Y123 HydrophobicContact CG2-CG 4.02Å
104	K	90	Very high	78.1	Confident	56 Å²	56	67.2 Å²	67.2	24%	0.243	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	147.6	173.3	-69.9	-167.5	177.6	-169.2	0	110.6	Y40 E66 I102 V106 L121 V122 I124	Y40-K104 WeakPolarHBondContact OH-CD 3.42Å; Y40-K104 PolarHBondContact OH-NZ 3.42Å; E66-K104 IonicContact OE1-NZ 3.3Å; E66-K104 PolarHBondContact OE1-NZ 2.97Å; I102-K104 HydrophobicContact CD1-CD 4.42Å; I102-K104 HydrophobicContact CD1-CG 4.24Å; K104-V106 HydrophobicContact CB-CG1 4.35Å; K104-L121 WeakPolarHBondContact O-CA 3.27Å; K104-V122 HydrophobicContact CB-CG1 4Å; K104-V122 PolarHBondContact N-O 3.39Å; K104-V122 PolarHBondContact O-N 3.03Å; K104-I124 HydrophobicContact CD-CD1 4.28Å
105	M	92.5	Very high	79.4	Confident	52 Å²	52	68.7 Å²	68.7	26%	0.256	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	128.6	163.8	-70.8	-58.2	-54.5	0	0	107.8	I6 L13 Q119 A120 L121	I6-M105 HydrophobicContact CG2-CG 3.59Å; I6-M105 HydrophobicContact CG2-SD 3.45Å; I6-M105 WeakPolarHBondContact CG2-SD 3.45Å; L13-M105 HydrophobicContact CD1-CE 4.13Å; L13-M105 HydrophobicContact CD1-SD 4.17Å; M105-Q119 HydrophobicContact CE-CB 3.69Å; M105-A120 WeakPolarHBondContact CA-O 3.5Å; M105-L121 HydrophobicContact SD-CB 3.95Å; M105-L121 HydrophobicContact SD-CD1 3.8Å
106	V	95.4	Very high	80.9	Confident	13 Å²	13	72 Å²	72	8%	0.079	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	155.3	-179.1	-63.1	0	0	0	0	109.6	I37 Y40 K104 F108 A120 V122	I37-V106 HydrophobicContact CB-CG2 4.31Å; I37-V106 HydrophobicContact CG2-CG2 3.72Å; Y40-V106 HydrophobicContact CE2-CG1 3.95Å; K104-V106 HydrophobicContact CB-CG1 4.35Å; V106-F108 PolarHBondContact O-N 2.79Å; V106-A120 PolarHBondContact N-O 3.49Å; V106-A120 PolarHBondContact O-N 2.83Å; V106-V122 HydrophobicContact CG1-CG1 3.85Å; V106-V122 HydrophobicContact CG2-CB 4.3Å; V106-V122 HydrophobicContact CG2-CG1 3.94Å
107	D	97	Very high	83	Confident	77 Å²	77	70.4 Å²	70.4	41%	0.412	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	123.6	166.9	-72	-44.3	0	0	0	109.1	F109 P117 Q119	D107-F109 HydrophobicContact CB-CE2 3.84Å; D107-F109 HydrophobicContact CB-CZ 4.05Å; D107-P117 HydrophobicContact CB-CB 4.3Å; D107-Q119 PolarHBondContact OD1-NE2 2.91Å
108	F	97.9	Very high	85.1	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	127.1	169.7	168.1	-102.2	0	0	0	108.5	F16 E33 G35 Y36 I37 A76 V106 P110 P117 V118 A120	F16-F108 AromaticContact CD2-CD2 3.53Å; F16-F108 HydrophobicContact CD2-CD2 3.53Å; F16-F108 AromaticContact CD2-CE2 3.84Å; F16-F108 HydrophobicContact CD2-CE2 3.84Å; F16-F108 HydrophobicContact CD2-CG 4.48Å; F16-F108 AromaticContact CE2-CD2 3.68Å; F16-F108 HydrophobicContact CE2-CD2 3.68Å; F16-F108 AromaticContact CE2-CE2 3.75Å; F16-F108 HydrophobicContact CE2-CE2 3.75Å; E33-F108 HydrophobicContact CB-CE1 4.36Å; E33-F108 WeakPolarHBondContact O-CZ 3.4Å; G35-F108 VanDerWaalsContact C-CE2 3.41Å; G35-F108 VanDerWaalsContact CA-CE2 3.43Å; Y36-F108 WeakPolarHBondContact O-CA 3.49Å; Y36-F108 WeakPolarHBondContact O-CD2 3.31Å; I37-F108 HydrophobicContact CG2-CB 4.38Å; I37-F108 HydrophobicContact CG2-CD2 4.37Å; A76-F108 HydrophobicContact CB-CD1 3.53Å; A76-F108 HydrophobicContact CB-CD2 3.91Å; A76-F108 HydrophobicContact CB-CE1 3.41Å; A76-F108 VanDerWaalsContact CB-CE1 3.41Å; A76-F108 HydrophobicContact CB-CE2 3.77Å; A76-F108 HydrophobicContact CB-CG 3.78Å; A76-F108 HydrophobicContact CB-CZ 3.52Å; V106-F108 PolarHBondContact O-N 2.79Å; F108-P110 HydrophobicContact CD1-CG 3.96Å; F108-P110 HydrophobicContact CE1-CB 3.86Å; F108-P110 HydrophobicContact CE1-CG 3.71Å; F108-P110 HydrophobicContact CZ-CB 4.47Å; F108-P110 WeakPolarHBondContact O-CD 3.24Å; F108-P117 CarbonylContact O-C 3.6Å; F108-P117 VanDerWaalsContact O-CA 3.23Å; F108-P117 WeakPolarHBondContact O-CA 3.38Å; F108-V118 HydrophobicContact CB-CG2 4.39Å; F108-V118 WeakPolarHBondContact CB-O 3.39Å; F108-V118 HydrophobicContact CD1-CG2 3.73Å; F108-V118 PolarHBondContact N-O 3.35Å; F108-V118 PolarHBondContact O-N 3.44Å; F108-A120 HydrophobicContact CB-CB 3.83Å
109	F	97.4	Very high	87.3	Confident	43 Å²	43	62.2 Å²	62.2	19%	0.189	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	103.5	179.3	-62.1	-93.4	0	0	0	108.2	G35 Y36 E38 D107 P117	G35-F109 CarbonylContact C-O 3.56Å; G35-F109 WeakPolarHBondContact CA-O 3.13Å; Y36-F109 HydrophobicContact CD1-CB 4Å; Y36-F109 HydrophobicContact CD2-CB 4.13Å; Y36-F109 HydrophobicContact CD2-CD2 4.09Å; Y36-F109 HydrophobicContact CD2-CG 4.41Å; Y36-F109 HydrophobicContact CE1-CB 3.57Å; Y36-F109 HydrophobicContact CE1-CG 4.43Å; Y36-F109 HydrophobicContact CE2-CB 3.72Å; Y36-F109 AromaticContact CE2-CD2 3.69Å; Y36-F109 HydrophobicContact CE2-CD2 3.69Å; Y36-F109 HydrophobicContact CE2-CE2 4.48Å; Y36-F109 AromaticContact CE2-CG 3.77Å; Y36-F109 HydrophobicContact CE2-CG 3.77Å; Y36-F109 HydrophobicContact CG-CB 4.26Å; Y36-F109 VanDerWaalsContact CZ-CB 3.41Å; Y36-F109 AromaticContact CZ-CG 3.78Å; Y36-F109 PolarHBondContact N-O 2.85Å; Y36-F109 PolarHBondContact O-N 3.17Å; E38-F109 HydrophobicContact CG-CD2 4.23Å; E38-F109 HydrophobicContact CG-CE2 3.86Å; D107-F109 HydrophobicContact CB-CE2 3.84Å; D107-F109 HydrophobicContact CB-CZ 4.05Å; F109-P117 HydrophobicContact CD1-CB 3.82Å; F109-P117 HydrophobicContact CD1-CG 4.31Å; F109-P117 HydrophobicContact CE1-CB 3.79Å; F109-P117 HydrophobicContact CE1-CG 3.96Å; F109-P117 HydrophobicContact CG-CB 4.35Å; F109-P117 HydrophobicContact CZ-CB 4.29Å
110	P	97.1	Very high	89.2	Confident	7 Å²	7	61.9 Å²	61.9	5%	0.045	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	143.4	179.9	-16.3	30.5	0	0	0	111	F108 R115	F108-P110 HydrophobicContact CD1-CG 3.96Å; F108-P110 HydrophobicContact CE1-CB 3.86Å; F108-P110 HydrophobicContact CE1-CG 3.71Å; F108-P110 HydrophobicContact CZ-CB 4.47Å; F108-P110 WeakPolarHBondContact O-CD 3.24Å; P110-R115 HydrophobicContact CB-CB 4.4Å; P110-R115 VanDerWaalsContact CG-NH2 3.32Å
111	H	93.8	Very high	90.6	Very high	99 Å²	99	59.7 Å²	59.7	46%	0.458	32%	0.315	S	S	.	.	S	Bend	trans	-66.7	139.8	174.9	-173	60.9	0	0	0	111.2	V34 W73 H172	V34-H111 VanDerWaalsContact O-CB 3.31Å; V34-H111 WeakPolarHBondContact O-CB 3.29Å; V34-H111 PolarHBondContact O-N 3.38Å; W73-H111 HydrophobicContact CH2-CB 4.35Å; W73-H111 AromaticContact CH2-ND1 3.45Å; W73-H111 WeakPolarHBondContact CH2-ND1 3.26Å; W73-H111 HydrophobicContact CZ3-CB 3.94Å; W73-H111 AromaticContact CZ3-CG 3.96Å; W73-H111 AromaticContact CZ3-ND1 3.7Å; H111-H172 AromaticContact CE1-CE1 3.48Å; H111-H172 PolarHBondContact CE1-CE1 2.81Å; H111-H172 VanDerWaalsContact CE1-CE1 3.48Å; H111-H172 AromaticContact CE1-NE2 3.86Å; H111-H172 AromaticContact ND1-CE1 3.91Å
112	G	86.7	Confident	91.5	Very high	45 Å²	45	57.4 Å²	57.4	46%	0.464	31%	0.306	S	S	.	.	S	Bend	trans	119.7	154.3	-177.4	0	0	0	0	0	112.4
113	E	76.2	Confident	91.8	Very high	182 Å²	182	54.8 Å²	54.8	85%	0.85	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	148.7	-179.8	-64.7	-179.8	170.8	0	0	111.9	R115	E113-R115 VanDerWaalsContact C-N 3.25Å; E113-R115 WeakPolarHBondContact O-CG 3.15Å; E113-R115 PolarHBondContact O-N 2.91Å
114	D	81.1	Confident	92	Very high	168 Å²	168	54.2 Å²	54.2	90%	0.898	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	29	173.7	-61.2	-33.4	0	0	0	116.3
115	R	88.4	Confident	91.9	Very high	95 Å²	95	51.5 Å²	51.5	36%	0.358	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-95.7	120.7	178.3	-62.3	-152.2	58.7	-158.1	-15.2	111.7	E33 P110 E113	E33-R115 VanDerWaalsContact CD-NH1 3.28Å; E33-R115 IonicContact OE1-CZ 3.99Å; E33-R115 IonicContact OE1-NH1 3.73Å; E33-R115 IonicContact OE1-NH2 3.49Å; E33-R115 PolarHBondContact OE1-NH2 2.98Å; E33-R115 IonicContact OE2-CZ 3.05Å; E33-R115 IonicContact OE2-NH1 3.5Å; E33-R115 PolarHBondContact OE2-NH1 3.27Å; E33-R115 IonicContact OE2-NH2 2.61Å; E33-R115 PolarHBondContact OE2-NH2 3.47Å; P110-R115 HydrophobicContact CB-CB 4.4Å; P110-R115 VanDerWaalsContact CG-NH2 3.32Å; E113-R115 VanDerWaalsContact C-N 3.25Å; E113-R115 WeakPolarHBondContact O-CG 3.15Å; E113-R115 PolarHBondContact O-N 2.91Å
116	S	91.8	Very high	91.5	Very high	94 Å²	94	50.5 Å²	50.5	66%	0.657	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-69.3	142.9	173.3	-51.8	0	0	0	0	111.4
117	P	95.6	Very high	91.1	Very high	60 Å²	60	52.9 Å²	52.9	39%	0.39	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-62.5	151.8	174.5	25	-32.4	0	0	0	111.5	D107 F108 F109	D107-P117 HydrophobicContact CB-CB 4.3Å; F108-P117 CarbonylContact O-C 3.6Å; F108-P117 VanDerWaalsContact O-CA 3.23Å; F108-P117 WeakPolarHBondContact O-CA 3.38Å; F109-P117 HydrophobicContact CD1-CB 3.82Å; F109-P117 HydrophobicContact CD1-CG 4.31Å; F109-P117 HydrophobicContact CE1-CB 3.79Å; F109-P117 HydrophobicContact CE1-CG 3.96Å; F109-P117 HydrophobicContact CG-CB 4.35Å; F109-P117 HydrophobicContact CZ-CB 4.29Å
118	V	94.8	Very high	90.5	Very high	40 Å²	40	56.5 Å²	56.5	24%	0.242	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	146.4	174.5	-62.9	0	0	0	0	110.4	W14 F108 A120	W14-V118 HydrophobicContact CD2-CG2 4.18Å; W14-V118 HydrophobicContact CG-CG2 4.12Å; F108-V118 HydrophobicContact CB-CG2 4.39Å; F108-V118 WeakPolarHBondContact CB-O 3.39Å; F108-V118 HydrophobicContact CD1-CG2 3.73Å; F108-V118 PolarHBondContact N-O 3.35Å; F108-V118 PolarHBondContact O-N 3.44Å; V118-A120 PolarHBondContact O-N 3.39Å
119	Q	95.1	Very high	89.9	Confident	86 Å²	86	57.1 Å²	57.1	40%	0.402	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	119.8	178.8	-79.3	-80.5	-53.9	0	0	111	M105 D107	M105-Q119 HydrophobicContact CE-CB 3.69Å; D107-Q119 PolarHBondContact OD1-NE2 2.91Å
120	A	94.9	Very high	89.4	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	142.1	179.9	0	0	0	0	0	112.4	W14 F16 M105 V106 F108 V118	W14-A120 HydrophobicContact CB-CB 3.85Å; W14-A120 CarbonylContact O-C 3.49Å; W14-A120 WeakPolarHBondContact O-CA 3.41Å; F16-A120 HydrophobicContact CB-CB 4.03Å; M105-A120 WeakPolarHBondContact CA-O 3.5Å; V106-A120 PolarHBondContact N-O 3.49Å; V106-A120 PolarHBondContact O-N 2.83Å; F108-A120 HydrophobicContact CB-CB 3.83Å; V118-A120 PolarHBondContact O-N 3.39Å
121	L	93.2	Very high	89.1	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	127.1	171.3	-173.2	72.5	0	0	0	109.3	I6 L13 W14 I15 F16 L88 T103 K104 M105 Y123	I6-L121 HydrophobicContact CD1-CD1 3.64Å; I6-L121 HydrophobicContact CG2-CD1 4.27Å; L13-L121 HydrophobicContact CD1-CB 4.28Å; L13-L121 HydrophobicContact CD2-CB 4.07Å; L13-L121 HydrophobicContact CD2-CD2 3.95Å; L13-L121 HydrophobicContact CG-CB 4.35Å; W14-L121 PolarHBondContact O-N 3.21Å; I15-L121 WeakPolarHBondContact CA-O 3.46Å; F16-L121 PolarHBondContact N-O 2.85Å; L88-L121 HydrophobicContact CD2-CD2 3.67Å; T103-L121 HydrophobicContact CG2-CD1 4.32Å; K104-L121 WeakPolarHBondContact O-CA 3.27Å; M105-L121 HydrophobicContact SD-CB 3.95Å; M105-L121 HydrophobicContact SD-CD1 3.8Å; L121-Y123 HydrophobicContact CD2-CE2 3.68Å; L121-Y123 HydrophobicContact CG-CE2 4.19Å
122	V	93.1	Very high	89.1	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	139.5	174.1	65.4	0	0	0	0	110.4	F16 Y18 L64 T103 K104 V106 I124	F16-V122 HydrophobicContact CB-CB 4.43Å; F16-V122 HydrophobicContact CD1-CG2 4.04Å; Y18-V122 HydrophobicContact CD1-CG2 3.81Å; Y18-V122 HydrophobicContact CE1-CG2 3.62Å; L64-V122 HydrophobicContact CD1-CG2 3.69Å; T103-V122 VanDerWaalsContact CA-O 3.32Å; T103-V122 WeakPolarHBondContact CA-O 3.32Å; K104-V122 HydrophobicContact CB-CG1 4Å; K104-V122 PolarHBondContact N-O 3.39Å; K104-V122 PolarHBondContact O-N 3.03Å; V106-V122 HydrophobicContact CG1-CG1 3.85Å; V106-V122 HydrophobicContact CG2-CB 4.3Å; V106-V122 HydrophobicContact CG2-CG1 3.94Å; V122-I124 HydrophobicContact CG1-CD1 3.96Å; V122-I124 HydrophobicContact CG1-CG1 4.14Å; V122-I124 HydrophobicContact CG2-CG1 4.1Å
123	Y	90.4	Very high	89.5	Confident	14 Å²	14	61.3 Å²	61.3	6%	0.055	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	123.1	174.9	-72.9	-101.3	0	0	0	109	Y18 L91 N92 E95 I102 T103 L121	Y18-Y123 WeakPolarHBondContact CE1-O 3.29Å; Y18-Y123 VanDerWaalsContact CZ-O 3.29Å; Y18-Y123 PolarHBondContact OH-O 2.97Å; L91-Y123 HydrophobicContact CB-CE1 4.12Å; L91-Y123 HydrophobicContact CB-CE2 3.93Å; L91-Y123 WeakPolarHBondContact CB-OH 3.45Å; L91-Y123 HydrophobicContact CD1-CE2 3.77Å; L91-Y123 HydrophobicContact CG-CE2 4.36Å; N92-Y123 PolarHBondContact OD1-OH 2.87Å; E95-Y123 HydrophobicContact CB-CD1 3.92Å; E95-Y123 HydrophobicContact CB-CE1 4.31Å; E95-Y123 HydrophobicContact CG-CD1 3.74Å; E95-Y123 HydrophobicContact CG-CE1 4.28Å; E95-Y123 HydrophobicContact CG-CG 4.31Å; I102-Y123 CarbonylContact O-C 3.49Å; I102-Y123 WeakPolarHBondContact O-CA 3Å; T103-Y123 HydrophobicContact CG2-CD1 3.51Å; T103-Y123 HydrophobicContact CG2-CD2 4.36Å; T103-Y123 HydrophobicContact CG2-CE1 3.38Å; T103-Y123 HydrophobicContact CG2-CE2 4.24Å; T103-Y123 HydrophobicContact CG2-CG 4.02Å; L121-Y123 HydrophobicContact CD2-CE2 3.68Å; L121-Y123 HydrophobicContact CG-CE2 4.19Å
124	I	90.8	Very high	90.4	Very high	7 Å²	7	53 Å²	53	4%	0.036	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	125.5	-174	-56.5	177.8	0	0	0	110.1	Y40 L64 Y101 I102 K104 V122 T126	Y40-I124 HydrophobicContact CD1-CD1 4.11Å; Y40-I124 HydrophobicContact CE1-CD1 3.64Å; L64-I124 HydrophobicContact CB-CD1 4.24Å; L64-I124 HydrophobicContact CB-CG1 4.21Å; L64-I124 HydrophobicContact CB-CG2 4.05Å; L64-I124 HydrophobicContact CD1-CD1 4.14Å; L64-I124 HydrophobicContact CD1-CG1 4.06Å; L64-I124 WeakPolarHBondContact O-CG2 3.37Å; Y101-I124 CarbonylContact C-O 3.52Å; Y101-I124 WeakPolarHBondContact CA-O 3.08Å; Y101-I124 VanDerWaalsContact CD1-C 3.42Å; I102-I124 HydrophobicContact CG1-CB 4.02Å; I102-I124 PolarHBondContact N-O 2.61Å; I102-I124 PolarHBondContact O-N 3.28Å; K104-I124 HydrophobicContact CD-CD1 4.28Å; V122-I124 HydrophobicContact CG1-CD1 3.96Å; V122-I124 HydrophobicContact CG1-CG1 4.14Å; V122-I124 HydrophobicContact CG2-CG1 4.1Å; I124-T126 PolarHBondContact O-N 2.76Å
125	A	87.8	Confident	91.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	112.3	171.2	0	0	0	0	0	108.9	H46 T63 Y101	H46-A125 HydrophobicContact CB-CB 4.48Å; H46-A125 WeakPolarHBondContact CD2-CB 3.45Å; T63-A125 WeakPolarHBondContact OG1-CB 3.3Å; T63-A125 PolarHBondContact OG1-N 2.8Å; T63-A125 PolarHBondContact OG1-O 3.15Å; Y101-A125 HydrophobicContact CD1-CB 3.93Å; Y101-A125 VanDerWaalsContact CD1-N 3.27Å; Y101-A125 HydrophobicContact CD2-CB 4.05Å; Y101-A125 HydrophobicContact CE1-CB 3.6Å; Y101-A125 HydrophobicContact CE2-CB 3.68Å; Y101-A125 HydrophobicContact CG-CB 4.14Å; Y101-A125 VanDerWaalsContact CZ-CB 3.46Å
126	T	84.2	Confident	91.7	Very high	31 Å²	31	46.3 Å²	46.3	19%	0.19	28%	0.281	C	S	.	.			trans	-77.5	168	-176.4	62.1	0	0	0	0	112.2	I102 I124 D128 N129	I102-T126 HydrophobicContact CB-CG2 4.26Å; I102-T126 HydrophobicContact CD1-CG2 3.66Å; I102-T126 HydrophobicContact CG1-CG2 3.69Å; I102-T126 HydrophobicContact CG2-CG2 3.65Å; I124-T126 PolarHBondContact O-N 2.76Å; T126-D128 PolarHBondContact O-N 3.3Å; T126-N129 WeakPolarHBondContact O-CB 3.39Å; T126-N129 PolarHBondContact O-N 3Å
127	A	86	Confident	92	Very high	63 Å²	63	43.8 Å²	43.8	52%	0.521	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-23.6	175.1	0	0	0	0	0	113.5	N129 F132	A127-N129 PolarHBondContact O-N 3.36Å; A127-F132 HydrophobicContact CB-CD1 3.98Å; A127-F132 HydrophobicContact CB-CE1 3.85Å; A127-F132 HydrophobicContact CB-CE2 4.47Å; A127-F132 HydrophobicContact CB-CG 4.34Å; A127-F132 HydrophobicContact CB-CZ 4.11Å
128	D	84.4	Confident	92.1	Very high	153 Å²	153	42.6 Å²	42.6	82%	0.818	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-5	176	-56.1	-46.2	0	0	0	113.5	T126	T126-D128 PolarHBondContact O-N 3.3Å
129	N	85	Confident	92.3	Very high	12 Å²	12	46.5 Å²	46.5	6%	0.064	27%	0.271	C	S	.	.	S	Bend	trans	-71.1	132.3	179.2	-171.4	-31.8	0	0	0	111	H46 G99 T126 A127 L131 F132	H46-N129 PolarHBondContact NE2-ND2 3.46Å; G99-N129 PolarHBondContact O-ND2 3.34Å; T126-N129 WeakPolarHBondContact O-CB 3.39Å; T126-N129 PolarHBondContact O-N 3Å; A127-N129 PolarHBondContact O-N 3.36Å; N129-L131 PolarHBondContact O-N 3.04Å; N129-L131 WeakPolarHBondContact OD1-CB 3.16Å; N129-L131 PolarHBondContact OD1-N 3.49Å; N129-F132 HydrophobicContact CB-CB 4.29Å; N129-F132 WeakPolarHBondContact O-CB 3.4Å; N129-F132 PolarHBondContact O-N 2.93Å
130	P	87.7	Confident	92.5	Very high	128 Å²	128	48 Å²	48	83%	0.831	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-24.2	175.6	-25.9	34.5	0	0	0	114.5
131	L	90.6	Very high	92.7	Very high	41 Å²	41	48 Å²	48	22%	0.215	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	3	176.4	-63.8	175.8	0	0	0	113.1	G47 N49 N129 L133	G47-L131 VanDerWaalsContact CA-O 3.31Å; G47-L131 WeakPolarHBondContact CA-O 3.44Å; G47-L131 PolarHBondContact N-O 3.39Å; N49-L131 HydrophobicContact CB-CD2 4.48Å; N129-L131 PolarHBondContact O-N 3.04Å; N129-L131 WeakPolarHBondContact OD1-CB 3.16Å; N129-L131 PolarHBondContact OD1-N 3.49Å; L131-L133 PolarHBondContact O-N 3.41Å; L131-L133 VanDerWaalsContact O-N 3.11Å
132	F	92.8	Very high	92.9	Very high	51 Å²	51	48 Å²	48	22%	0.224	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-69.7	109.4	173.5	-173.5	-108.3	0	0	0	109.8	W45 T63 I65 A127 N129 G134	W45-F132 HydrophobicContact CB-CE2 3.85Å; W45-F132 HydrophobicContact CB-CZ 4.29Å; W45-F132 HydrophobicContact CE3-CE2 4.49Å; W45-F132 HydrophobicContact CE3-CZ 4.15Å; W45-F132 WeakPolarHBondContact O-CD2 3.48Å; T63-F132 HydrophobicContact CG2-CE2 4.42Å; I65-F132 HydrophobicContact CD1-CE2 4.04Å; I65-F132 HydrophobicContact CD1-CZ 4.32Å; A127-F132 HydrophobicContact CB-CD1 3.98Å; A127-F132 HydrophobicContact CB-CE1 3.85Å; A127-F132 HydrophobicContact CB-CE2 4.47Å; A127-F132 HydrophobicContact CB-CG 4.34Å; A127-F132 HydrophobicContact CB-CZ 4.11Å; N129-F132 HydrophobicContact CB-CB 4.29Å; N129-F132 WeakPolarHBondContact O-CB 3.4Å; N129-F132 PolarHBondContact O-N 2.93Å; F132-G134 VanDerWaalsContact CE1-CA 3.46Å
133	L	95.6	Very high	93.2	Very high	63 Å²	63	49.9 Å²	49.9	33%	0.33	29%	0.293	S	S	.	.			trans	-87.1	-14	179.4	-61.4	179.5	0	0	0	112.3	W45 R60 L131	W45-L133 PolarHBondContact O-N 2.98Å; R60-L133 HydrophobicContact CG-CD1 3.81Å; L131-L133 PolarHBondContact O-N 3.41Å; L131-L133 VanDerWaalsContact O-N 3.11Å
134	G	95.8	Very high	93.5	Very high	7 Å²	7	51.4 Å²	51.4	7%	0.072	30%	0.301	C	S	.	.			trans	70.9	-173.4	176.2	0	0	0	0	0	115.2	W45 R60 F132	W45-G134 WeakPolarHBondContact CB-O 3.32Å; W45-G134 VanDerWaalsContact CD1-O 3.27Å; W45-G134 VanDerWaalsContact CG-O 3.31Å; W45-G134 PolarHBondContact O-N 2.89Å; W45-G134 VanDerWaalsContact O-N 3.12Å; R60-G134 PolarHBondContact NH1-O 3.07Å; R60-G134 VanDerWaalsContact NH1-O 3.1Å; F132-G134 VanDerWaalsContact CE1-CA 3.46Å
135	P	97.5	Very high	93.9	Very high	93 Å²	93	51.1 Å²	51.1	60%	0.604	30%	0.299	S	S	*	.			trans	-59.9	139.4	177.4	-18.1	30	0	0	0	112.2	W45	W45-P135 HydrophobicContact CD2-CB 4.4Å; W45-P135 HydrophobicContact CD2-CG 4.2Å; W45-P135 HydrophobicContact CE3-CG 4.03Å; W45-P135 HydrophobicContact CH2-CB 4.1Å; W45-P135 HydrophobicContact CH2-CG 3.75Å; W45-P135 HydrophobicContact CZ2-CB 3.76Å; W45-P135 HydrophobicContact CZ2-CG 3.92Å; W45-P135 HydrophobicContact CZ3-CG 3.8Å
136	A	98.1	Very high	94.4	Very high	30 Å²	30	51.7 Å²	51.7	25%	0.248	30%	0.304	C	S	.	.			trans	-152.6	162.5	170.3	0	0	0	0	0	107.9	E140 I141	A136-E140 HydrophobicContact CB-CB 4.22Å; A136-I141 HydrophobicContact CB-CD1 4.21Å; A136-I141 HydrophobicContact CB-CG1 3.81Å; A136-I141 WeakPolarHBondContact O-CD1 3.49Å
137	S	98.5	Very high	95	Very high	40 Å²	40	54.6 Å²	54.6	28%	0.28	32%	0.322	S	S	.	.			trans	-63.5	153.1	176.6	61.7	0	0	0	0	111.5	E139 E140 I141	S137-E139 WeakPolarHBondContact CB-OE2 3.23Å; S137-E139 PolarHBondContact O-N 3.47Å; S137-E140 WeakPolarHBondContact CB-OE2 3.48Å; S137-E140 PolarHBondContact N-OE2 2.81Å; S137-E140 PolarHBondContact O-N 3.22Å; S137-E140 WeakPolarHBondContact OG-CB 3.31Å; S137-E140 WeakPolarHBondContact OG-CG 3.4Å; S137-E140 PolarHBondContact OG-N 3.16Å; S137-E140 PolarHBondContact OG-OE2 3.25Å; S137-I141 WeakPolarHBondContact O-CG1 3.02Å; S137-I141 PolarHBondContact O-N 2.68Å
138	P	98.6	Very high	95.5	Very high	36 Å²	36	52 Å²	52	23%	0.234	30%	0.299	C	S	.	.	H	α-helix	trans	-53	-34.4	172.3	-27.3	36.3	0	0	0	113.2	G142 A180 I181 A184	P138-G142 WeakPolarHBondContact O-CA 2.91Å; P138-G142 PolarHBondContact O-N 2.87Å; P138-A180 HydrophobicContact CB-CB 3.81Å; P138-A180 HydrophobicContact CG-CB 3.88Å; P138-I181 HydrophobicContact CB-CG1 4.09Å; P138-A184 WeakPolarHBondContact O-CB 3.37Å
139	E	98.6	Very high	96.2	Very high	122 Å²	122	52.3 Å²	52.3	57%	0.57	29%	0.289	S	S	*	.	H	α-helix	trans	-66.8	-48.8	178.6	-65	70.3	-154	0	0	111.9	S137 G142 A143	S137-E139 WeakPolarHBondContact CB-OE2 3.23Å; S137-E139 PolarHBondContact O-N 3.47Å; E139-G142 PolarHBondContact O-N 3.2Å; E139-A143 VanDerWaalsContact O-CB 3.29Å; E139-A143 WeakPolarHBondContact O-CB 3.18Å; E139-A143 PolarHBondContact O-N 2.78Å
140	E	98.5	Very high	96.6	Very high	117 Å²	117	52.3 Å²	52.3	55%	0.547	29%	0.293	S	S	.	.	H	α-helix	trans	-63.1	-44.6	176.4	-72.3	163.6	134.9	0	0	111.4	A136 S137 Q144	A136-E140 HydrophobicContact CB-CB 4.22Å; S137-E140 WeakPolarHBondContact CB-OE2 3.48Å; S137-E140 PolarHBondContact N-OE2 2.81Å; S137-E140 PolarHBondContact O-N 3.22Å; S137-E140 WeakPolarHBondContact OG-CB 3.31Å; S137-E140 WeakPolarHBondContact OG-CG 3.4Å; S137-E140 PolarHBondContact OG-N 3.16Å; S137-E140 PolarHBondContact OG-OE2 3.25Å; E140-Q144 WeakPolarHBondContact O-CB 3.23Å; E140-Q144 PolarHBondContact O-N 2.99Å; E140-Q144 VanDerWaalsContact O-N 3.08Å
141	I	98.8	Very high	96.9	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64	-46.2	178	-64.7	173	0	0	0	110.3	F44 R60 A136 S137 Q144 I145 I181	F44-I141 HydrophobicContact CB-CD1 4.45Å; F44-I141 HydrophobicContact CB-CG2 3.87Å; R60-I141 HydrophobicContact CB-CG2 4.41Å; A136-I141 HydrophobicContact CB-CD1 4.21Å; A136-I141 HydrophobicContact CB-CG1 3.81Å; A136-I141 WeakPolarHBondContact O-CD1 3.49Å; S137-I141 WeakPolarHBondContact O-CG1 3.02Å; S137-I141 PolarHBondContact O-N 2.68Å; I141-Q144 PolarHBondContact O-N 3.06Å; I141-I145 HydrophobicContact CG2-CD1 3.63Å; I141-I145 HydrophobicContact CG2-CG1 4.3Å; I141-I145 WeakPolarHBondContact O-CB 3.32Å; I141-I145 VanDerWaalsContact O-CG1 3.3Å; I141-I145 WeakPolarHBondContact O-CG1 3.49Å; I141-I145 PolarHBondContact O-N 2.86Å; I141-I181 HydrophobicContact CB-CD1 4.15Å; I141-I181 HydrophobicContact CB-CG1 4.1Å; I141-I181 HydrophobicContact CB-CG2 4.47Å; I141-I181 HydrophobicContact CD1-CD1 3.93Å; I141-I181 HydrophobicContact CD1-CG1 4.49Å; I141-I181 HydrophobicContact CG2-CB 4.47Å; I141-I181 HydrophobicContact CG2-CD1 3.61Å; I141-I181 HydrophobicContact CG2-CG1 3.87Å; I141-I181 HydrophobicContact CG2-CG2 3.7Å
142	G	98.6	Very high	96.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62.5	-43.7	-179.9	0	0	0	0	0	112.2	P138 E139 I145 A146	P138-G142 WeakPolarHBondContact O-CA 2.91Å; P138-G142 PolarHBondContact O-N 2.87Å; E139-G142 PolarHBondContact O-N 3.2Å; G142-I145 PolarHBondContact O-N 3.17Å; G142-A146 WeakPolarHBondContact O-CB 3.4Å; G142-A146 PolarHBondContact O-N 3.25Å
143	A	98.3	Very high	96.9	Very high	39 Å²	39	53 Å²	53	32%	0.322	29%	0.29	S	S	.	.	H	α-helix	trans	-60.6	-45.4	175.9	0	0	0	0	0	112.1	E139 A146 V188	E139-A143 VanDerWaalsContact O-CB 3.29Å; E139-A143 WeakPolarHBondContact O-CB 3.18Å; E139-A143 PolarHBondContact O-N 2.78Å; A143-A146 PolarHBondContact O-N 3.12Å; A143-V188 HydrophobicContact CB-CG2 4.21Å
144	Q	98.4	Very high	97	Very high	47 Å²	47	54.5 Å²	54.5	22%	0.22	30%	0.295	C	S	.	.	H	α-helix	trans	-62	-47.8	175.6	-173.6	174.2	-3.5	0	0	111.4	P58 E140 I141 A146 V147 C148	P58-Q144 PolarHBondContact O-NE2 3.15Å; E140-Q144 WeakPolarHBondContact O-CB 3.23Å; E140-Q144 PolarHBondContact O-N 2.99Å; E140-Q144 VanDerWaalsContact O-N 3.08Å; I141-Q144 PolarHBondContact O-N 3.06Å; Q144-A146 VanDerWaalsContact C-N 3.29Å; Q144-A146 PolarHBondContact O-N 2.73Å; Q144-V147 PolarHBondContact O-N 2.83Å; Q144-C148 WeakPolarHBondContact O-CB 3.36Å; Q144-C148 PolarHBondContact O-N 2.88Å; Q144-C148 VanDerWaalsContact O-N 3.07Å; Q144-C148 PolarHBondContact O-SG 3.5Å
145	I	98.5	Very high	97.2	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.9	-36.7	179.4	-72.1	174	0	0	0	112.1	F44 R60 I141 G142 V147 N155 L156 L159 I181	F44-I145 HydrophobicContact CD1-CD1 3.7Å; F44-I145 HydrophobicContact CE1-CD1 3.98Å; F44-I145 HydrophobicContact CG-CD1 4.44Å; R60-I145 HydrophobicContact CB-CD1 4.18Å; R60-I145 HydrophobicContact CB-CG1 4Å; I141-I145 HydrophobicContact CG2-CD1 3.63Å; I141-I145 HydrophobicContact CG2-CG1 4.3Å; I141-I145 WeakPolarHBondContact O-CB 3.32Å; I141-I145 VanDerWaalsContact O-CG1 3.3Å; I141-I145 WeakPolarHBondContact O-CG1 3.49Å; I141-I145 PolarHBondContact O-N 2.86Å; G142-I145 PolarHBondContact O-N 3.17Å; I145-V147 VanDerWaalsContact C-N 3.27Å; I145-V147 PolarHBondContact O-N 3.36Å; I145-N155 HydrophobicContact CG2-CB 4.08Å; I145-L156 HydrophobicContact CG2-CB 4.46Å; I145-L156 PolarHBondContact O-N 2.95Å; I145-L159 HydrophobicContact CD1-CD2 4.18Å; I145-L159 HydrophobicContact CG2-CB 4.04Å; I145-L159 HydrophobicContact CG2-CD2 3.76Å; I145-I181 HydrophobicContact CD1-CG2 3.73Å
146	A	98.1	Very high	97.2	Very high	12 Å²	12	51.1 Å²	51.1	10%	0.099	27%	0.27	C	S	.	.	H	α-helix	trans	-62.8	-33.5	-177.8	0	0	0	0	0	112.8	G142 A143 Q144 V188 V189	G142-A146 WeakPolarHBondContact O-CB 3.4Å; G142-A146 PolarHBondContact O-N 3.25Å; A143-A146 PolarHBondContact O-N 3.12Å; Q144-A146 VanDerWaalsContact C-N 3.29Å; Q144-A146 PolarHBondContact O-N 2.73Å; A146-V188 HydrophobicContact CB-CB 3.94Å; A146-V188 HydrophobicContact CB-CG1 3.66Å; A146-V189 HydrophobicContact CB-CG2 4.03Å
147	V	96.8	Very high	97.2	Very high	93 Å²	93	52.8 Å²	52.8	56%	0.564	27%	0.273	S	S	*	.	H	α-helix	trans	-103.6	-20.6	-174.6	-57.4	0	0	0	0	114	Q144 I145 L192	Q144-V147 PolarHBondContact O-N 2.83Å; I145-V147 VanDerWaalsContact C-N 3.27Å; I145-V147 PolarHBondContact O-N 3.36Å; V147-L192 HydrophobicContact CG1-CD1 4.03Å
148	C	97.4	Very high	97.2	Very high	7 Å²	7	51.5 Å²	51.5	5%	0.047	26%	0.262	C	S	.	.			trans	-74.2	140.8	-177.2	-76.6	0	0	0	0	113.5	R52 P58 Q144 N155	R52-C148 CarbonylContact O-C 3.3Å; P58-C148 PolarHBondContact O-SG 3.12Å; Q144-C148 WeakPolarHBondContact O-CB 3.36Å; Q144-C148 PolarHBondContact O-N 2.88Å; Q144-C148 VanDerWaalsContact O-N 3.07Å; Q144-C148 PolarHBondContact O-SG 3.5Å; C148-N155 HydrophobicContact CB-CB 3.98Å; C148-N155 PolarHBondContact O-N 3.48Å
149	R	97.3	Very high	97.2	Very high	160 Å²	160	49.8 Å²	49.8	60%	0.604	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143	138.3	173.2	-176.7	-176.3	178.7	-155.5	1.6	110.2	R52 G53	R52-R149 CarbonylContact O-C 3.54Å; R52-R149 VanDerWaalsContact O-C 3.27Å; R52-R149 WeakPolarHBondContact O-CA 3.35Å; R52-R149 PolarHBondContact O-N 3.33Å; G53-R149 CarbonylContact C-O 3.26Å
150	G	95.3	Very high	97.2	Very high	13 Å²	13	46.8 Å²	46.8	13%	0.134	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	-167.2	172.4	0	0	0	0	0	112.5	H51 R52 G53 T152 G153	H51-G150 CarbonylContact O-C 3.55Å; H51-G150 VanDerWaalsContact O-C 3.26Å; H51-G150 WeakPolarHBondContact O-CA 3.19Å; R52-G150 VanDerWaalsContact C-N 3.29Å; R52-G150 PolarHBondContact O-N 3.11Å; G53-G150 WeakPolarHBondContact O-CA 3.03Å; G150-T152 PolarHBondContact O-N 2.84Å; G150-T152 VanDerWaalsContact O-N 3.13Å; G150-G153 PolarHBondContact N-O 3.27Å; G150-G153 PolarHBondContact O-N 2.88Å; G150-G153 VanDerWaalsContact O-N 3.1Å
151	K	92.9	Very high	97.2	Very high	164 Å²	164	46.5 Å²	46.5	71%	0.713	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-29.7	-177.8	-173.4	179.2	179.6	178.2	0	113.5	F50 H51	F50-K151 HydrophobicContact CE1-CD 3.73Å; F50-K151 HydrophobicContact CE2-CD 4.03Å; F50-K151 HydrophobicContact CZ-CD 3.38Å; F50-K151 WeakPolarHBondContact O-CB 3.29Å; F50-K151 PolarHBondContact O-N 2.89Å; H51-K151 PolarHBondContact O-N 3.3Å
152	T	90	Very high	97.2	Very high	52 Å²	52	46.5 Å²	46.5	32%	0.319	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	9.2	-175.2	-42.5	0	0	0	0	112.4	H51 R52 G150	H51-T152 PolarHBondContact CD2-OG1 3.04Å; H51-T152 WeakPolarHBondContact O-CA 3.35Å; H51-T152 WeakPolarHBondContact O-CB 3.43Å; H51-T152 PolarHBondContact O-N 2.84Å; R52-T152 PolarHBondContact NH1-O 2.57Å; G150-T152 PolarHBondContact O-N 2.84Å; G150-T152 VanDerWaalsContact O-N 3.13Å
153	G	94.3	Very high	97.2	Very high	17 Å²	17	46.5 Å²	46.5	18%	0.175	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	115.3	-170.4	177.4	0	0	0	0	0	113.5	G150	G150-G153 PolarHBondContact N-O 3.27Å; G150-G153 PolarHBondContact O-N 2.88Å; G150-G153 VanDerWaalsContact O-N 3.1Å
154	H	97.5	Very high	97.2	Very high	96 Å²	96	49.3 Å²	49.3	44%	0.444	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	146.6	-179.3	-76.2	-85.6	0	0	0	111.3	R52 L156 E157	R52-H154 PolarHBondContact NH1-O 2.88Å; H154-L156 HydrophobicContact CB-CB 4.48Å; H154-L156 PolarHBondContact O-N 2.86Å; H154-E157 PolarHBondContact O-N 2.83Å
155	N	98.4	Very high	97.2	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.9	-33.1	172.4	-158.5	155.8	0	0	0	111.5	R52 G59 R60 I145 C148 E157 Y158 L159	R52-N155 HydrophobicContact CB-CB 4.1Å; G59-N155 VanDerWaalsContact C-OD1 3.24Å; G59-N155 WeakPolarHBondContact CA-OD1 3.31Å; R60-N155 PolarHBondContact N-OD1 3.5Å; R60-N155 PolarHBondContact O-ND2 3.48Å; R60-N155 PolarHBondContact O-OD1 3.26Å; I145-N155 HydrophobicContact CG2-CB 4.08Å; C148-N155 HydrophobicContact CB-CB 3.98Å; C148-N155 PolarHBondContact O-N 3.48Å; N155-E157 PolarHBondContact O-N 3.05Å; N155-Y158 VanDerWaalsContact O-CB 3.26Å; N155-Y158 WeakPolarHBondContact O-CB 3.39Å; N155-Y158 PolarHBondContact O-N 3.37Å; N155-L159 PolarHBondContact O-N 2.78Å
156	L	98.4	Very high	97.2	Very high	29 Å²	29	48 Å²	48	15%	0.152	23%	0.232	C	C	.	.	H	α-helix	trans	-53.7	-40.2	175.2	-174.8	66.5	0	0	0	112.4	I145 H154 Y158 L159 L160 A185 V189	I145-L156 HydrophobicContact CG2-CB 4.46Å; I145-L156 PolarHBondContact O-N 2.95Å; H154-L156 HydrophobicContact CB-CB 4.48Å; H154-L156 PolarHBondContact O-N 2.86Å; L156-Y158 VanDerWaalsContact C-N 3.29Å; L156-Y158 PolarHBondContact O-N 2.79Å; L156-L159 HydrophobicContact CD1-CD2 4.45Å; L156-L159 PolarHBondContact O-N 3.47Å; L156-L160 HydrophobicContact CD1-CD1 4.32Å; L156-L160 HydrophobicContact CD1-CG 4.26Å; L156-L160 HydrophobicContact CD2-CD1 4.35Å; L156-L160 HydrophobicContact CG-CD1 3.89Å; L156-L160 HydrophobicContact CG-CG 4.22Å; L156-L160 WeakPolarHBondContact O-CG 3.46Å; L156-L160 PolarHBondContact O-N 3Å; L156-A185 HydrophobicContact CD1-CB 3.91Å; L156-V189 HydrophobicContact CD2-CG2 3.71Å
157	E	98.4	Very high	97.2	Very high	64 Å²	64	52.8 Å²	52.8	30%	0.299	25%	0.247	S	C	.	.	H	α-helix	trans	-61.4	-38.3	177.2	-171	-157.2	-180	0	0	111.9	R52 H154 N155 R161	R52-E157 IonicContact CZ-OE2 3.68Å; R52-E157 IonicContact NH1-OE2 2.8Å; R52-E157 PolarHBondContact NH1-OE2 2.91Å; R52-E157 IonicContact NH2-OE2 3.59Å; H154-E157 PolarHBondContact O-N 2.83Å; N155-E157 PolarHBondContact O-N 3.05Å; E157-R161 HydrophobicContact CG-CG 4.38Å; E157-R161 WeakPolarHBondContact O-CB 3.31Å; E157-R161 VanDerWaalsContact O-CG 3.25Å; E157-R161 WeakPolarHBondContact O-CG 3.42Å; E157-R161 PolarHBondContact O-N 2.94Å; E157-R161 IonicContact OE1-CZ 3.92Å; E157-R161 VanDerWaalsContact OE1-CZ 3.25Å; E157-R161 IonicContact OE1-NE 2.58Å; E157-R161 PolarHBondContact OE1-NE 3.28Å; E157-R161 IonicContact OE1-NH2 3.3Å; E157-R161 PolarHBondContact OE1-NH2 2.84Å
158	Y	98.3	Very high	97.2	Very high	14 Å²	14	52.1 Å²	52.1	6%	0.055	25%	0.247	C	C	.	.	H	α-helix	trans	-61.3	-47.2	176.3	178.3	-79.9	0	0	0	111.2	W23 F44 R52 V61 V62 N155 L156 L162	W23-Y158 HydrophobicContact CH2-CD1 4.37Å; W23-Y158 AromaticContact CH2-CD2 3.48Å; W23-Y158 HydrophobicContact CH2-CD2 3.48Å; W23-Y158 VanDerWaalsContact CH2-CD2 3.48Å; W23-Y158 AromaticContact CH2-CE2 3.74Å; W23-Y158 HydrophobicContact CH2-CE2 3.74Å; W23-Y158 AromaticContact CH2-CG 3.83Å; W23-Y158 HydrophobicContact CH2-CG 3.83Å; W23-Y158 AromaticContact CZ2-CD2 3.83Å; W23-Y158 HydrophobicContact CZ2-CD2 3.83Å; W23-Y158 HydrophobicContact CZ2-CE2 4.34Å; W23-Y158 HydrophobicContact CZ2-CG 4.35Å; F44-Y158 AromaticContact CE1-CD1 3.86Å; F44-Y158 HydrophobicContact CE1-CD1 3.86Å; F44-Y158 AromaticContact CE1-CE1 3.75Å; F44-Y158 HydrophobicContact CE1-CE1 3.75Å; F44-Y158 HydrophobicContact CZ-CD1 4.42Å; F44-Y158 HydrophobicContact CZ-CE1 4.2Å; R52-Y158 HydrophobicContact CG-CD2 4.35Å; V61-Y158 HydrophobicContact CB-CE1 4.15Å; V61-Y158 HydrophobicContact CB-CE2 4.18Å; V61-Y158 HydrophobicContact CG1-CD1 4.49Å; V61-Y158 HydrophobicContact CG1-CD2 4.17Å; V61-Y158 HydrophobicContact CG1-CE1 4.26Å; V61-Y158 HydrophobicContact CG1-CE2 3.89Å; V61-Y158 HydrophobicContact CG1-CG 4.46Å; V62-Y158 HydrophobicContact CG1-CE1 4.42Å; V62-Y158 HydrophobicContact CG2-CE1 4.47Å; V62-Y158 WeakPolarHBondContact CG2-OH 3.47Å; V62-Y158 PolarHBondContact N-OH 3.09Å; V62-Y158 VanDerWaalsContact N-OH 3.15Å; N155-Y158 VanDerWaalsContact O-CB 3.26Å; N155-Y158 WeakPolarHBondContact O-CB 3.39Å; N155-Y158 PolarHBondContact O-N 3.37Å; L156-Y158 VanDerWaalsContact C-N 3.29Å; L156-Y158 PolarHBondContact O-N 2.79Å; Y158-L162 PolarHBondContact O-N 3.33Å; Y158-L162 VanDerWaalsContact O-N 3.16Å
159	L	98.7	Very high	97.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.1	-51.2	179.4	172.8	62.6	0	0	0	110.9	F44 I145 N155 L156 R161 L162 A163 L178 I181 E182 A185	F44-L159 HydrophobicContact CE1-CB 4.5Å; F44-L159 HydrophobicContact CE1-CD1 4.01Å; F44-L159 HydrophobicContact CE2-CD1 4.02Å; F44-L159 HydrophobicContact CZ-CD1 3.48Å; F44-L159 VanDerWaalsContact CZ-CD1 3.48Å; I145-L159 HydrophobicContact CD1-CD2 4.18Å; I145-L159 HydrophobicContact CG2-CB 4.04Å; I145-L159 HydrophobicContact CG2-CD2 3.76Å; N155-L159 PolarHBondContact O-N 2.78Å; L156-L159 HydrophobicContact CD1-CD2 4.45Å; L156-L159 PolarHBondContact O-N 3.47Å; L159-R161 PolarHBondContact O-N 2.97Å; L159-L162 PolarHBondContact O-N 3.3Å; L159-A163 WeakPolarHBondContact O-CB 3.34Å; L159-A163 PolarHBondContact O-N 2.98Å; L159-L178 HydrophobicContact CD1-CD1 3.62Å; L159-I181 HydrophobicContact CD1-CB 4.41Å; L159-I181 HydrophobicContact CD1-CG2 3.85Å; L159-I181 HydrophobicContact CD2-CG2 3.74Å; L159-I181 HydrophobicContact CG-CG2 4.47Å; L159-E182 HydrophobicContact CD1-CB 4.42Å; L159-E182 HydrophobicContact CD2-CB 4.47Å; L159-E182 HydrophobicContact CG-CB 4.41Å; L159-A185 HydrophobicContact CD2-CB 3.66Å
160	L	98.6	Very high	97.2	Very high	58 Å²	58	46.5 Å²	46.5	30%	0.304	23%	0.232	S	C	.	.	H	α-helix	trans	-64.6	-38.8	-177.8	-66.1	178.1	0	0	0	112.5	L156 L162 A163 E164 E182 L186	L156-L160 HydrophobicContact CD1-CD1 4.32Å; L156-L160 HydrophobicContact CD1-CG 4.26Å; L156-L160 HydrophobicContact CD2-CD1 4.35Å; L156-L160 HydrophobicContact CG-CD1 3.89Å; L156-L160 HydrophobicContact CG-CG 4.22Å; L156-L160 WeakPolarHBondContact O-CG 3.46Å; L156-L160 PolarHBondContact O-N 3Å; L160-L162 VanDerWaalsContact C-N 3.33Å; L160-L162 PolarHBondContact O-N 3.49Å; L160-A163 PolarHBondContact O-N 3.44Å; L160-E164 VanDerWaalsContact O-CB 3.27Å; L160-E164 WeakPolarHBondContact O-CB 3.25Å; L160-E164 PolarHBondContact O-N 3.41Å; L160-E182 HydrophobicContact CD2-CG 3.91Å; L160-L186 HydrophobicContact CD2-CD1 4.43Å; L160-L186 HydrophobicContact CD2-CD2 4.19Å; L160-L186 HydrophobicContact CD2-CG 4.46Å
161	R	98.6	Very high	97.2	Very high	112 Å²	112	50.7 Å²	50.7	42%	0.423	26%	0.257	S	S	.	.	H	α-helix	trans	-65.7	-36.3	176	-74.2	-176.7	-178.4	-82.5	0.2	112.8	W23 E157 L159 F165	W23-R161 HydrophobicContact CD2-CB 3.79Å; W23-R161 HydrophobicContact CE3-CB 3.88Å; W23-R161 HydrophobicContact CG-CB 4.24Å; W23-R161 HydrophobicContact CH2-CB 4.27Å; W23-R161 HydrophobicContact CZ2-CB 4.21Å; W23-R161 HydrophobicContact CZ3-CB 4.12Å; W23-R161 VanDerWaalsContact NE1-CD 3.28Å; E157-R161 HydrophobicContact CG-CG 4.38Å; E157-R161 WeakPolarHBondContact O-CB 3.31Å; E157-R161 VanDerWaalsContact O-CG 3.25Å; E157-R161 WeakPolarHBondContact O-CG 3.42Å; E157-R161 PolarHBondContact O-N 2.94Å; E157-R161 IonicContact OE1-CZ 3.92Å; E157-R161 VanDerWaalsContact OE1-CZ 3.25Å; E157-R161 IonicContact OE1-NE 2.58Å; E157-R161 PolarHBondContact OE1-NE 3.28Å; E157-R161 IonicContact OE1-NH2 3.3Å; E157-R161 PolarHBondContact OE1-NH2 2.84Å; L159-R161 PolarHBondContact O-N 2.97Å; R161-F165 PolarHBondContact O-N 3.33Å; R161-F165 VanDerWaalsContact O-N 3.07Å
162	L	98.6	Very high	97.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-70.7	-43.2	175.9	-175.3	57.5	0	0	0	111.5	V22 W23 F44 V62 Y158 L159 L160 E164 F165 M166 L178	V22-L162 HydrophobicContact CG2-CD1 3.98Å; W23-L162 HydrophobicContact CZ3-CB 4.02Å; F44-L162 HydrophobicContact CE2-CD2 4.3Å; F44-L162 HydrophobicContact CZ-CD2 4.01Å; V62-L162 HydrophobicContact CG1-CD2 3.76Å; V62-L162 HydrophobicContact CG2-CD2 4.19Å; Y158-L162 PolarHBondContact O-N 3.33Å; Y158-L162 VanDerWaalsContact O-N 3.16Å; L159-L162 PolarHBondContact O-N 3.3Å; L160-L162 VanDerWaalsContact C-N 3.33Å; L160-L162 PolarHBondContact O-N 3.49Å; L162-E164 VanDerWaalsContact C-N 3.33Å; L162-E164 PolarHBondContact O-N 3.06Å; L162-F165 HydrophobicContact CD1-CD1 4.47Å; L162-F165 PolarHBondContact O-N 2.93Å; L162-M166 WeakPolarHBondContact O-CG 3.26Å; L162-M166 PolarHBondContact O-N 3.24Å; L162-L178 HydrophobicContact CB-CD1 4.31Å; L162-L178 HydrophobicContact CD2-CD1 4.05Å; L162-L178 HydrophobicContact CG-CD1 4.09Å; L162-L178 HydrophobicContact CG-CD2 4.04Å
163	A	98.6	Very high	97.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.6	-43	175.3	0	0	0	0	0	111.8	L159 L160 M166 R167 L178 F179 E182	L159-A163 WeakPolarHBondContact O-CB 3.34Å; L159-A163 PolarHBondContact O-N 2.98Å; L160-A163 PolarHBondContact O-N 3.44Å; A163-M166 PolarHBondContact O-N 2.88Å; A163-R167 WeakPolarHBondContact O-CG 3.35Å; A163-R167 PolarHBondContact O-N 3Å; A163-L178 HydrophobicContact CB-CD1 4.38Å; A163-L178 HydrophobicContact CB-CD2 4.42Å; A163-L178 HydrophobicContact CB-CG 4.33Å; A163-F179 HydrophobicContact CB-CE1 4.24Å; A163-E182 VanDerWaalsContact CB-CD 3.47Å; A163-E182 HydrophobicContact CB-CG 4.46Å; A163-E182 WeakPolarHBondContact CB-OE1 3.37Å; A163-E182 WeakPolarHBondContact CB-OE2 3.35Å
164	E	98.6	Very high	97.6	Very high	97 Å²	97	52.8 Å²	52.8	45%	0.453	26%	0.263	S	S	.	.	H	α-helix	trans	-62.3	-44.4	175.8	-178.2	51.3	-141.3	0	0	112.1	L160 L162 M166 R167 S168	L160-E164 VanDerWaalsContact O-CB 3.27Å; L160-E164 WeakPolarHBondContact O-CB 3.25Å; L160-E164 PolarHBondContact O-N 3.41Å; L162-E164 VanDerWaalsContact C-N 3.33Å; L162-E164 PolarHBondContact O-N 3.06Å; E164-M166 VanDerWaalsContact C-N 3.31Å; E164-M166 PolarHBondContact O-N 2.9Å; E164-R167 PolarHBondContact O-N 3.25Å; E164-S168 WeakPolarHBondContact O-CB 3.29Å; E164-S168 PolarHBondContact O-N 2.92Å; E164-S168 PolarHBondContact OE1-OG 3.25Å
165	F	98.4	Very high	97.5	Very high	20 Å²	20	49.1 Å²	49.1	9%	0.088	25%	0.247	C	C	.	.	H	α-helix	trans	-56.3	-46.4	173.6	166.2	-97.1	0	0	0	111.7	V22 V34 V75 R161 L162 S168 S169	V22-F165 HydrophobicContact CB-CD1 3.98Å; V22-F165 HydrophobicContact CB-CD2 3.88Å; V22-F165 HydrophobicContact CB-CE1 4.13Å; V22-F165 HydrophobicContact CB-CE2 4.03Å; V22-F165 HydrophobicContact CB-CG 3.86Å; V22-F165 HydrophobicContact CB-CZ 4.16Å; V22-F165 HydrophobicContact CG1-CD1 4.18Å; V22-F165 HydrophobicContact CG1-CE1 3.99Å; V22-F165 HydrophobicContact CG1-CZ 4.18Å; V22-F165 HydrophobicContact CG2-CB 3.82Å; V22-F165 HydrophobicContact CG2-CD1 3.78Å; V22-F165 HydrophobicContact CG2-CD2 4.04Å; V22-F165 HydrophobicContact CG2-CE1 4.41Å; V22-F165 HydrophobicContact CG2-CG 3.57Å; V34-F165 HydrophobicContact CG2-CE2 4.34Å; V75-F165 HydrophobicContact CG2-CE2 3.47Å; V75-F165 VanDerWaalsContact CG2-CE2 3.47Å; V75-F165 HydrophobicContact CG2-CZ 3.56Å; R161-F165 PolarHBondContact O-N 3.33Å; R161-F165 VanDerWaalsContact O-N 3.07Å; L162-F165 HydrophobicContact CD1-CD1 4.47Å; L162-F165 PolarHBondContact O-N 2.93Å; F165-S168 PolarHBondContact O-N 2.68Å; F165-S169 VanDerWaalsContact O-CB 3.27Å; F165-S169 WeakPolarHBondContact O-CB 3.34Å; F165-S169 PolarHBondContact O-N 2.88Å; F165-S169 PolarHBondContact O-OG 3.21Å
166	M	98.3	Very high	97.4	Very high	1 Å²	1	55 Å²	55	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-63.2	-45	179.9	-71.8	-58	-62.9	0	0	111.8	R42 W73 L162 A163 E164 C170 V173 D175 L178 F179	R42-M166 PolarHBondContact NH2-SD 3.35Å; W73-M166 HydrophobicContact CB-CE 4.11Å; W73-M166 HydrophobicContact CB-SD 4.33Å; L162-M166 WeakPolarHBondContact O-CG 3.26Å; L162-M166 PolarHBondContact O-N 3.24Å; A163-M166 PolarHBondContact O-N 2.88Å; E164-M166 VanDerWaalsContact C-N 3.31Å; E164-M166 PolarHBondContact O-N 2.9Å; M166-C170 HydrophobicContact CE-CB 3.93Å; M166-C170 CarbonylContact O-C 3.6Å; M166-C170 VanDerWaalsContact O-CA 3.26Å; M166-C170 WeakPolarHBondContact O-CA 3.49Å; M166-C170 WeakPolarHBondContact O-CB 3.46Å; M166-C170 PolarHBondContact O-N 2.73Å; M166-C170 HydrophobicContact SD-CB 4.28Å; M166-V173 HydrophobicContact CE-CB 3.98Å; M166-V173 HydrophobicContact CE-CG1 3.71Å; M166-D175 HydrophobicContact CE-CB 4.25Å; M166-L178 HydrophobicContact CB-CD2 4.06Å; M166-L178 HydrophobicContact CG-CD2 3.52Å; M166-F179 HydrophobicContact CB-CZ 4.03Å
167	R	97.9	Very high	97.4	Very high	111 Å²	111	55 Å²	55	42%	0.419	27%	0.273	S	S	.	.	H	α-helix	trans	-61.9	-45.8	176.7	-72.1	-176.8	-176.2	106.1	3.5	112.9	A163 E164 P171 F179 E182	A163-R167 WeakPolarHBondContact O-CG 3.35Å; A163-R167 PolarHBondContact O-N 3Å; E164-R167 PolarHBondContact O-N 3.25Å; R167-P171 WeakPolarHBondContact O-CB 2.95Å; R167-F179 HydrophobicContact CG-CE1 3.93Å; R167-F179 HydrophobicContact CG-CZ 4.04Å; R167-E182 IonicContact CZ-OE1 3.11Å; R167-E182 IonicContact CZ-OE2 3.91Å; R167-E182 VanDerWaalsContact CZ-OE2 3.31Å; R167-E182 IonicContact NH1-OE1 2.72Å; R167-E182 PolarHBondContact NH1-OE1 3.37Å; R167-E182 IonicContact NH1-OE2 2.72Å; R167-E182 PolarHBondContact NH1-OE2 2.78Å; R167-E182 IonicContact NH2-OE1 3.4Å; R167-E182 PolarHBondContact NH2-OE1 3.36Å; R167-E182 IonicContact NH2-OE2 3.19Å; R167-E182 PolarHBondContact NH2-OE2 3.08Å
168	S	97.5	Very high	97.5	Very high	80 Å²	80	52 Å²	52	56%	0.559	26%	0.259	S	S	*	.	H	α-helix	trans	-83.1	-36.5	-171.3	-78.9	0	0	0	0	113.3	E164 F165	E164-S168 WeakPolarHBondContact O-CB 3.29Å; E164-S168 PolarHBondContact O-N 2.92Å; E164-S168 PolarHBondContact OE1-OG 3.25Å; F165-S168 PolarHBondContact O-N 2.68Å
169	S	97.3	Very high	97.5	Very high	48 Å²	48	53.5 Å²	53.5	34%	0.336	27%	0.266	S	S	.	.	H	α-helix	trans	-102.8	-23.2	-174.9	-53.4	0	0	0	0	113.6	F165 P171	F165-S169 VanDerWaalsContact O-CB 3.27Å; F165-S169 WeakPolarHBondContact O-CB 3.34Å; F165-S169 PolarHBondContact O-N 2.88Å; F165-S169 PolarHBondContact O-OG 3.21Å; S169-P171 VanDerWaalsContact C-CD 3.42Å
170	C	96.6	Very high	97.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.281	C	S	.	.			trans	-130.8	49.8	-176.8	-51.6	0	0	0	0	111.8	W73 M166 H172 V173	W73-C170 HydrophobicContact CE3-CB 4.35Å; M166-C170 HydrophobicContact CE-CB 3.93Å; M166-C170 CarbonylContact O-C 3.6Å; M166-C170 VanDerWaalsContact O-CA 3.26Å; M166-C170 WeakPolarHBondContact O-CA 3.49Å; M166-C170 WeakPolarHBondContact O-CB 3.46Å; M166-C170 PolarHBondContact O-N 2.73Å; M166-C170 HydrophobicContact SD-CB 4.28Å; C170-H172 PolarHBondContact O-N 2.91Å; C170-V173 HydrophobicContact CB-CB 4.06Å; C170-V173 HydrophobicContact CB-CG2 3.88Å; C170-V173 WeakPolarHBondContact O-CB 3.3Å; C170-V173 PolarHBondContact O-N 2.71Å
171	P	96.4	Very high	97.5	Very high	102 Å²	102	52.6 Å²	52.6	66%	0.662	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-17.3	-170.5	25.8	-36.2	0	0	0	114.6	R167 S169 V173	R167-P171 WeakPolarHBondContact O-CB 2.95Å; S169-P171 VanDerWaalsContact C-CD 3.42Å; P171-V173 VanDerWaalsContact C-N 3.34Å
172	H	95.1	Very high	97.5	Very high	109 Å²	109	47.8 Å²	47.8	51%	0.505	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-1.2	177.8	59.3	-81.9	0	0	0	113	W73 H111 C170	W73-H172 AromaticContact CH2-CE1 3.69Å; W73-H172 AromaticContact CH2-NE2 3.05Å; W73-H172 WeakPolarHBondContact CH2-NE2 3.08Å; W73-H172 AromaticContact CZ2-NE2 3.29Å; W73-H172 VanDerWaalsContact CZ2-NE2 3.29Å; W73-H172 WeakPolarHBondContact CZ2-NE2 3.46Å; W73-H172 AromaticContact CZ3-CE1 3.86Å; W73-H172 AromaticContact CZ3-NE2 3.66Å; H111-H172 AromaticContact CE1-CE1 3.48Å; H111-H172 PolarHBondContact CE1-CE1 2.81Å; H111-H172 VanDerWaalsContact CE1-CE1 3.48Å; H111-H172 AromaticContact CE1-NE2 3.86Å; H111-H172 AromaticContact ND1-CE1 3.91Å; C170-H172 PolarHBondContact O-N 2.91Å
173	V	95.3	Very high	97.5	Very high	27 Å²	27	52 Å²	52	16%	0.164	28%	0.275	C	S	.	.			trans	-108.9	122.5	-175.8	-176.8	0	0	0	0	109.4	W73 M166 C170 P171	W73-V173 HydrophobicContact CD2-CG2 3.58Å; W73-V173 HydrophobicContact CE3-CG2 4.26Å; W73-V173 HydrophobicContact CG-CB 4.39Å; W73-V173 HydrophobicContact CG-CG1 4.03Å; W73-V173 HydrophobicContact CG-CG2 3.71Å; W73-V173 HydrophobicContact CZ2-CG2 3.97Å; M166-V173 HydrophobicContact CE-CB 3.98Å; M166-V173 HydrophobicContact CE-CG1 3.71Å; C170-V173 HydrophobicContact CB-CB 4.06Å; C170-V173 HydrophobicContact CB-CG2 3.88Å; C170-V173 WeakPolarHBondContact O-CB 3.3Å; C170-V173 PolarHBondContact O-N 2.71Å; P171-V173 VanDerWaalsContact C-N 3.34Å
174	E	93.5	Very high	97.5	Very high	141 Å²	141	52.6 Å²	52.6	66%	0.659	28%	0.28	S	S	*	.			trans	-95.2	104.6	175.8	-164	166.5	-172.2	0	0	110.7	H176	E174-H176 PolarHBondContact O-N 3.44Å; E174-H176 IonicContact OE1-CE1 3.25Å; E174-H176 PolarHBondContact OE1-CE1 2.66Å; E174-H176 IonicContact OE1-ND1 2.78Å; E174-H176 PolarHBondContact OE1-ND1 3.17Å; E174-H176 IonicContact OE1-NE2 3.63Å; E174-H176 IonicContact OE2-CE1 2.68Å; E174-H176 PolarHBondContact OE2-CE1 3.01Å; E174-H176 IonicContact OE2-NE2 3.09Å
175	D	96.2	Very high	97.5	Very high	18 Å²	18	48 Å²	48	10%	0.096	26%	0.258	C	S	.	.			trans	-95.6	79.3	170.6	-170.6	-19.9	0	0	0	109.5	R42 M166 H177 L178 F179	R42-D175 IonicContact CZ-OD2 2.95Å; R42-D175 VanDerWaalsContact CZ-OD2 3.3Å; R42-D175 IonicContact NE-OD2 2.82Å; R42-D175 PolarHBondContact NE-OD2 3.2Å; R42-D175 VanDerWaalsContact NE-OD2 3.09Å; R42-D175 IonicContact NH2-OD2 3.65Å; R42-D175 PolarHBondContact NH2-OD2 3.11Å; M166-D175 HydrophobicContact CE-CB 4.25Å; D175-H177 PolarHBondContact O-N 2.95Å; D175-H177 PolarHBondContact OD1-N 3.36Å; D175-L178 HydrophobicContact CB-CB 3.94Å; D175-L178 HydrophobicContact CB-CD2 4.37Å; D175-L178 PolarHBondContact O-N 3.45Å; D175-L178 VanDerWaalsContact O-N 3.16Å; D175-L178 WeakPolarHBondContact OD1-CB 3.44Å; D175-L178 PolarHBondContact OD1-N 2.78Å; D175-F179 HydrophobicContact CB-CE2 4.45Å; D175-F179 WeakPolarHBondContact O-CD2 3.24Å; D175-F179 PolarHBondContact O-N 2.96Å
176	H	97.4	Very high	97.5	Very high	125 Å²	125	50.4 Å²	50.4	58%	0.579	27%	0.272	S	S	*	.	H	α-helix	trans	-53.3	-37.2	-178.4	-67	-74.6	0	0	0	112.9	E174 A180	E174-H176 PolarHBondContact O-N 3.44Å; E174-H176 IonicContact OE1-CE1 3.25Å; E174-H176 PolarHBondContact OE1-CE1 2.66Å; E174-H176 IonicContact OE1-ND1 2.78Å; E174-H176 PolarHBondContact OE1-ND1 3.17Å; E174-H176 IonicContact OE1-NE2 3.63Å; E174-H176 IonicContact OE2-CE1 2.68Å; E174-H176 PolarHBondContact OE2-CE1 3.01Å; E174-H176 IonicContact OE2-NE2 3.09Å; H176-A180 WeakPolarHBondContact O-CB 3.46Å; H176-A180 PolarHBondContact O-N 2.82Å
177	H	98.4	Very high	97.5	Very high	28 Å²	28	53.4 Å²	53.4	13%	0.13	29%	0.29	C	S	.	.	H	α-helix	trans	-64.6	-48.7	-179.6	-176.8	78.7	0	0	0	110.9	F44 W45 D175 I181	F44-H177 AromaticContact CD2-CD2 3.91Å; F44-H177 AromaticContact CD2-NE2 3.89Å; F44-H177 PolarHBondContact N-NE2 2.94Å; W45-H177 AromaticContact NE1-CE1 3.79Å; D175-H177 PolarHBondContact O-N 2.95Å; D175-H177 PolarHBondContact OD1-N 3.36Å; H177-I181 WeakPolarHBondContact NE2-CD1 3.15Å; H177-I181 WeakPolarHBondContact O-CD1 3.31Å; H177-I181 VanDerWaalsContact O-CG1 3.3Å; H177-I181 WeakPolarHBondContact O-CG1 3.25Å; H177-I181 PolarHBondContact O-N 3.22Å
178	L	98.6	Very high	97.5	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61	-49.8	177.5	174.3	63	0	0	0	112.1	F44 L159 L162 A163 M166 D175 I181 E182	F44-L178 HydrophobicContact CE2-CD1 3.55Å; F44-L178 HydrophobicContact CZ-CD1 3.76Å; L159-L178 HydrophobicContact CD1-CD1 3.62Å; L162-L178 HydrophobicContact CB-CD1 4.31Å; L162-L178 HydrophobicContact CD2-CD1 4.05Å; L162-L178 HydrophobicContact CG-CD1 4.09Å; L162-L178 HydrophobicContact CG-CD2 4.04Å; A163-L178 HydrophobicContact CB-CD1 4.38Å; A163-L178 HydrophobicContact CB-CD2 4.42Å; A163-L178 HydrophobicContact CB-CG 4.33Å; M166-L178 HydrophobicContact CB-CD2 4.06Å; M166-L178 HydrophobicContact CG-CD2 3.52Å; D175-L178 HydrophobicContact CB-CB 3.94Å; D175-L178 HydrophobicContact CB-CD2 4.37Å; D175-L178 PolarHBondContact O-N 3.45Å; D175-L178 VanDerWaalsContact O-N 3.16Å; D175-L178 WeakPolarHBondContact OD1-CB 3.44Å; D175-L178 PolarHBondContact OD1-N 2.78Å; L178-I181 PolarHBondContact O-N 3.47Å; L178-E182 PolarHBondContact O-N 3.43Å
179	F	98.6	Very high	97.4	Very high	46 Å²	46	47.7 Å²	47.7	20%	0.202	26%	0.264	C	S	.	.	H	α-helix	trans	-73.6	-31.1	-174	-65.5	-51.9	0	0	0	113.4	A163 M166 R167 D175 E182 T183	A163-F179 HydrophobicContact CB-CE1 4.24Å; M166-F179 HydrophobicContact CB-CZ 4.03Å; R167-F179 HydrophobicContact CG-CE1 3.93Å; R167-F179 HydrophobicContact CG-CZ 4.04Å; D175-F179 HydrophobicContact CB-CE2 4.45Å; D175-F179 WeakPolarHBondContact O-CD2 3.24Å; D175-F179 PolarHBondContact O-N 2.96Å; F179-E182 WeakPolarHBondContact CD1-OE2 3.49Å; F179-E182 PolarHBondContact O-N 3.34Å; F179-T183 PolarHBondContact O-N 3.34Å; F179-T183 PolarHBondContact O-OG1 3.4Å
180	A	98.8	Very high	97.4	Very high	39 Å²	39	48.9 Å²	48.9	32%	0.322	27%	0.273	S	S	.	.	H	α-helix	trans	-64.3	-44.3	171.7	0	0	0	0	0	111.3	P138 H176 T183 A184	P138-A180 HydrophobicContact CB-CB 3.81Å; P138-A180 HydrophobicContact CG-CB 3.88Å; H176-A180 WeakPolarHBondContact O-CB 3.46Å; H176-A180 PolarHBondContact O-N 2.82Å; A180-T183 PolarHBondContact O-N 3.35Å; A180-A184 PolarHBondContact O-N 3.37Å
181	I	98.9	Very high	97.3	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64.5	-41.7	177.2	-70.9	165.5	0	0	0	111.4	F44 P138 I141 I145 L159 H177 L178 T183 A184 A185	F44-I181 HydrophobicContact CB-CD1 3.84Å; F44-I181 HydrophobicContact CD2-CD1 3.65Å; F44-I181 HydrophobicContact CE2-CD1 4.47Å; F44-I181 HydrophobicContact CG-CD1 3.94Å; P138-I181 HydrophobicContact CB-CG1 4.09Å; I141-I181 HydrophobicContact CB-CD1 4.15Å; I141-I181 HydrophobicContact CB-CG1 4.1Å; I141-I181 HydrophobicContact CB-CG2 4.47Å; I141-I181 HydrophobicContact CD1-CD1 3.93Å; I141-I181 HydrophobicContact CD1-CG1 4.49Å; I141-I181 HydrophobicContact CG2-CB 4.47Å; I141-I181 HydrophobicContact CG2-CD1 3.61Å; I141-I181 HydrophobicContact CG2-CG1 3.87Å; I141-I181 HydrophobicContact CG2-CG2 3.7Å; I145-I181 HydrophobicContact CD1-CG2 3.73Å; L159-I181 HydrophobicContact CD1-CB 4.41Å; L159-I181 HydrophobicContact CD1-CG2 3.85Å; L159-I181 HydrophobicContact CD2-CG2 3.74Å; L159-I181 HydrophobicContact CG-CG2 4.47Å; H177-I181 WeakPolarHBondContact NE2-CD1 3.15Å; H177-I181 WeakPolarHBondContact O-CD1 3.31Å; H177-I181 VanDerWaalsContact O-CG1 3.3Å; H177-I181 WeakPolarHBondContact O-CG1 3.25Å; H177-I181 PolarHBondContact O-N 3.22Å; L178-I181 PolarHBondContact O-N 3.47Å; I181-T183 VanDerWaalsContact C-N 3.34Å; I181-A184 PolarHBondContact O-N 3.48Å; I181-A185 VanDerWaalsContact O-CB 3.32Å; I181-A185 WeakPolarHBondContact O-CB 3.45Å; I181-A185 PolarHBondContact O-N 3.23Å
182	E	98.7	Very high	97	Very high	11 Å²	11	55.9 Å²	55.9	5%	0.051	29%	0.293	C	S	.	.	H	α-helix	trans	-58.3	-47.4	175.4	-173.9	-175.7	-160.3	0	0	111.9	L159 L160 A163 R167 L178 F179 A184 A185 L186	L159-E182 HydrophobicContact CD1-CB 4.42Å; L159-E182 HydrophobicContact CD2-CB 4.47Å; L159-E182 HydrophobicContact CG-CB 4.41Å; L160-E182 HydrophobicContact CD2-CG 3.91Å; A163-E182 VanDerWaalsContact CB-CD 3.47Å; A163-E182 HydrophobicContact CB-CG 4.46Å; A163-E182 WeakPolarHBondContact CB-OE1 3.37Å; A163-E182 WeakPolarHBondContact CB-OE2 3.35Å; R167-E182 IonicContact CZ-OE1 3.11Å; R167-E182 IonicContact CZ-OE2 3.91Å; R167-E182 VanDerWaalsContact CZ-OE2 3.31Å; R167-E182 IonicContact NH1-OE1 2.72Å; R167-E182 PolarHBondContact NH1-OE1 3.37Å; R167-E182 IonicContact NH1-OE2 2.72Å; R167-E182 PolarHBondContact NH1-OE2 2.78Å; R167-E182 IonicContact NH2-OE1 3.4Å; R167-E182 PolarHBondContact NH2-OE1 3.36Å; R167-E182 IonicContact NH2-OE2 3.19Å; R167-E182 PolarHBondContact NH2-OE2 3.08Å; L178-E182 PolarHBondContact O-N 3.43Å; F179-E182 WeakPolarHBondContact CD1-OE2 3.49Å; F179-E182 PolarHBondContact O-N 3.34Å; E182-A184 VanDerWaalsContact C-N 3.35Å; E182-A184 PolarHBondContact O-N 2.85Å; E182-A185 PolarHBondContact O-N 3.3Å; E182-L186 HydrophobicContact CG-CD1 3.99Å; E182-L186 HydrophobicContact CG-CG 4.45Å; E182-L186 WeakPolarHBondContact O-CB 3.37Å; E182-L186 VanDerWaalsContact O-CG 3.31Å; E182-L186 WeakPolarHBondContact O-CG 3.43Å; E182-L186 PolarHBondContact O-N 3.03Å
183	T	98.7	Very high	96.8	Very high	89 Å²	89	56 Å²	56	55%	0.546	30%	0.296	S	S	.	.	H	α-helix	trans	-59.7	-46.5	177.7	-57.9	0	0	0	0	111.2	F179 A180 I181 T187	F179-T183 PolarHBondContact O-N 3.34Å; F179-T183 PolarHBondContact O-OG1 3.4Å; A180-T183 PolarHBondContact O-N 3.35Å; I181-T183 VanDerWaalsContact C-N 3.34Å; T183-T187 WeakPolarHBondContact O-CB 3.15Å; T183-T187 PolarHBondContact O-N 3.32Å; T183-T187 PolarHBondContact O-OG1 3.13Å
184	A	98.7	Very high	96.6	Very high	12 Å²	12	58.7 Å²	58.7	10%	0.099	32%	0.321	C	S	.	.	H	α-helix	trans	-62	-46.6	177	0	0	0	0	0	112.6	P138 A180 I181 E182 L186 T187 V188	P138-A184 WeakPolarHBondContact O-CB 3.37Å; A180-A184 PolarHBondContact O-N 3.37Å; I181-A184 PolarHBondContact O-N 3.48Å; E182-A184 VanDerWaalsContact C-N 3.35Å; E182-A184 PolarHBondContact O-N 2.85Å; A184-L186 PolarHBondContact O-N 3.26Å; A184-T187 WeakPolarHBondContact O-CB 3.35Å; A184-T187 PolarHBondContact O-N 3.1Å; A184-V188 WeakPolarHBondContact O-CG2 3.42Å; A184-V188 PolarHBondContact O-N 2.8Å
185	A	98.5	Very high	96.1	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-62.7	-44.3	179.8	0	0	0	0	0	111.9	L156 L159 I181 E182 T187 V188 V189	L156-A185 HydrophobicContact CD1-CB 3.91Å; L159-A185 HydrophobicContact CD2-CB 3.66Å; I181-A185 VanDerWaalsContact O-CB 3.32Å; I181-A185 WeakPolarHBondContact O-CB 3.45Å; I181-A185 PolarHBondContact O-N 3.23Å; E182-A185 PolarHBondContact O-N 3.3Å; A185-T187 VanDerWaalsContact C-N 3.32Å; A185-T187 PolarHBondContact O-N 3.47Å; A185-V188 PolarHBondContact O-N 3.07Å; A185-V189 VanDerWaalsContact O-CG2 3.31Å; A185-V189 WeakPolarHBondContact O-CG2 3.43Å; A185-V189 PolarHBondContact O-N 2.92Å
186	L	98.4	Very high	94.8	Very high	71 Å²	71	65.2 Å²	65.2	37%	0.372	37%	0.366	S	S	.	.	H	α-helix	trans	-66.3	-34.5	177.7	-70.9	176.5	0	0	0	112.5	L160 E182 A184 V189 S190	L160-L186 HydrophobicContact CD2-CD1 4.43Å; L160-L186 HydrophobicContact CD2-CD2 4.19Å; L160-L186 HydrophobicContact CD2-CG 4.46Å; E182-L186 HydrophobicContact CG-CD1 3.99Å; E182-L186 HydrophobicContact CG-CG 4.45Å; E182-L186 WeakPolarHBondContact O-CB 3.37Å; E182-L186 VanDerWaalsContact O-CG 3.31Å; E182-L186 WeakPolarHBondContact O-CG 3.43Å; E182-L186 PolarHBondContact O-N 3.03Å; A184-L186 PolarHBondContact O-N 3.26Å; L186-V189 PolarHBondContact O-N 3.1Å; L186-S190 WeakPolarHBondContact O-CB 3.47Å; L186-S190 PolarHBondContact O-N 3.4Å; L186-S190 PolarHBondContact O-OG 3.37Å
187	T	98.3	Very high	94.7	Very high	65 Å²	65	62.2 Å²	62.2	40%	0.399	36%	0.356	S	S	.	.	H	α-helix	trans	-61.1	-48	172.7	-62	0	0	0	0	110.7	T183 A184 A185 V189 S190 Y191	T183-T187 WeakPolarHBondContact O-CB 3.15Å; T183-T187 PolarHBondContact O-N 3.32Å; T183-T187 PolarHBondContact O-OG1 3.13Å; A184-T187 WeakPolarHBondContact O-CB 3.35Å; A184-T187 PolarHBondContact O-N 3.1Å; A185-T187 VanDerWaalsContact C-N 3.32Å; A185-T187 PolarHBondContact O-N 3.47Å; T187-V189 PolarHBondContact O-N 3.29Å; T187-S190 WeakPolarHBondContact O-CB 3.22Å; T187-S190 PolarHBondContact O-N 2.81Å; T187-Y191 HydrophobicContact CG2-CD2 3.92Å; T187-Y191 HydrophobicContact CG2-CE2 3.46Å; T187-Y191 VanDerWaalsContact CG2-CE2 3.46Å; T187-Y191 WeakPolarHBondContact O-CD2 3.33Å; T187-Y191 PolarHBondContact O-N 2.77Å; T187-Y191 VanDerWaalsContact O-N 3.11Å
188	V	97.6	Very high	94.5	Very high	39 Å²	39	64 Å²	64	24%	0.236	37%	0.368	C	S	.	.	H	α-helix	trans	-60.8	-45.5	176.5	173.5	0	0	0	0	111.5	A143 A146 A184 A185 S190 Y191 L192	A143-V188 HydrophobicContact CB-CG2 4.21Å; A146-V188 HydrophobicContact CB-CB 3.94Å; A146-V188 HydrophobicContact CB-CG1 3.66Å; A184-V188 WeakPolarHBondContact O-CG2 3.42Å; A184-V188 PolarHBondContact O-N 2.8Å; A185-V188 PolarHBondContact O-N 3.07Å; V188-S190 VanDerWaalsContact C-N 3.28Å; V188-S190 PolarHBondContact O-N 3.4Å; V188-Y191 PolarHBondContact O-N 3.03Å; V188-L192 HydrophobicContact CG1-CD1 4.06Å; V188-L192 HydrophobicContact CG1-CG 4.34Å; V188-L192 WeakPolarHBondContact O-CG 3.19Å; V188-L192 PolarHBondContact O-N 2.87Å
189	V	96.1	Very high	94.2	Very high	32 Å²	32	67.6 Å²	67.6	19%	0.194	39%	0.388	C	S	.	.	H	α-helix	trans	-58.8	-42	177	172.1	0	0	0	0	111.2	A146 L156 A185 L186 T187 Y191 L192 L193	A146-V189 HydrophobicContact CB-CG2 4.03Å; L156-V189 HydrophobicContact CD2-CG2 3.71Å; A185-V189 VanDerWaalsContact O-CG2 3.31Å; A185-V189 WeakPolarHBondContact O-CG2 3.43Å; A185-V189 PolarHBondContact O-N 2.92Å; L186-V189 PolarHBondContact O-N 3.1Å; T187-V189 PolarHBondContact O-N 3.29Å; V189-Y191 VanDerWaalsContact C-N 3.34Å; V189-Y191 PolarHBondContact O-N 3.27Å; V189-L192 PolarHBondContact O-N 3.42Å; V189-L193 HydrophobicContact CG1-CD1 3.92Å; V189-L193 HydrophobicContact CG1-CG 4.32Å; V189-L193 WeakPolarHBondContact O-CG 3.44Å; V189-L193 PolarHBondContact O-N 3.15Å
190	S	95.9	Very high	94	Very high	73 Å²	73	68.8 Å²	68.8	51%	0.51	40%	0.399	S	S	.	.	H	α-helix	trans	-61.6	-42.3	178.7	-58	0	0	0	0	111.7	L186 T187 V188 L193 A194	L186-S190 WeakPolarHBondContact O-CB 3.47Å; L186-S190 PolarHBondContact O-N 3.4Å; L186-S190 PolarHBondContact O-OG 3.37Å; T187-S190 WeakPolarHBondContact O-CB 3.22Å; T187-S190 PolarHBondContact O-N 2.81Å; V188-S190 VanDerWaalsContact C-N 3.28Å; V188-S190 PolarHBondContact O-N 3.4Å; S190-L193 PolarHBondContact O-N 2.81Å; S190-A194 WeakPolarHBondContact O-CB 3.5Å; S190-A194 PolarHBondContact O-N 3.22Å
191	Y	94.9	Very high	93.7	Very high	166 Å²	166	70.7 Å²	70.7	65%	0.651	40%	0.404	S	S	*	.	H	α-helix	trans	-64.5	-42.4	174	-73.7	-60.8	0	0	0	112.8	T187 V188 V189 L193 A194 A195	T187-Y191 HydrophobicContact CG2-CD2 3.92Å; T187-Y191 HydrophobicContact CG2-CE2 3.46Å; T187-Y191 VanDerWaalsContact CG2-CE2 3.46Å; T187-Y191 WeakPolarHBondContact O-CD2 3.33Å; T187-Y191 PolarHBondContact O-N 2.77Å; T187-Y191 VanDerWaalsContact O-N 3.11Å; V188-Y191 PolarHBondContact O-N 3.03Å; V189-Y191 VanDerWaalsContact C-N 3.34Å; V189-Y191 PolarHBondContact O-N 3.27Å; Y191-L193 VanDerWaalsContact C-N 3.3Å; Y191-L193 PolarHBondContact O-N 3.44Å; Y191-A194 PolarHBondContact O-N 2.97Å; Y191-A195 WeakPolarHBondContact O-CB 3.41Å; Y191-A195 PolarHBondContact O-N 3.09Å; Y191-A195 VanDerWaalsContact O-N 3.09Å
192	L	91.6	Very high	93.3	Very high	82 Å²	82	75.4 Å²	75.4	43%	0.429	43%	0.431	S	S	.	.	H	α-helix	trans	-65.2	-32.6	178.5	-69.1	175.6	0	0	0	112.9	V147 V188 V189 Q196	V147-L192 HydrophobicContact CG1-CD1 4.03Å; V188-L192 HydrophobicContact CG1-CD1 4.06Å; V188-L192 HydrophobicContact CG1-CG 4.34Å; V188-L192 WeakPolarHBondContact O-CG 3.19Å; V188-L192 PolarHBondContact O-N 2.87Å; V189-L192 PolarHBondContact O-N 3.42Å; L192-Q196 PolarHBondContact O-NE2 2.95Å; L192-Q196 VanDerWaalsContact O-NE2 3.15Å
193	L	90.8	Very high	93	Very high	111 Å²	111	80 Å²	80	58%	0.581	46%	0.458	S	S	*	.	H	α-helix	trans	-75.9	-35	175.1	-69.7	174.3	0	0	0	112.1	V189 S190 Y191 A195	V189-L193 HydrophobicContact CG1-CD1 3.92Å; V189-L193 HydrophobicContact CG1-CG 4.32Å; V189-L193 WeakPolarHBondContact O-CG 3.44Å; V189-L193 PolarHBondContact O-N 3.15Å; S190-L193 PolarHBondContact O-N 2.81Å; Y191-L193 VanDerWaalsContact C-N 3.3Å; Y191-L193 PolarHBondContact O-N 3.44Å; L193-A195 VanDerWaalsContact C-N 3.28Å; L193-A195 PolarHBondContact O-N 3.48Å
194	A	91.2	Very high	92.5	Very high	84 Å²	84	79.3 Å²	79.3	69%	0.694	45%	0.451	S	S	*	.	H	α-helix	trans	-73.4	-19	177.1	0	0	0	0	0	113.6	S190 Y191	S190-A194 WeakPolarHBondContact O-CB 3.5Å; S190-A194 PolarHBondContact O-N 3.22Å; Y191-A194 PolarHBondContact O-N 2.97Å
195	A	82.1	Confident	92	Very high	87 Å²	87	84.9 Å²	84.9	72%	0.719	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	0.7	179	0	0	0	0	0	114.2	Y191 L193	Y191-A195 WeakPolarHBondContact O-CB 3.41Å; Y191-A195 PolarHBondContact O-N 3.09Å; Y191-A195 VanDerWaalsContact O-N 3.09Å; L193-A195 VanDerWaalsContact C-N 3.28Å; L193-A195 PolarHBondContact O-N 3.48Å
196	Q	68.7	Low	91.4	Very high	209 Å²	209	92.6 Å²	92.6	98%	0.977	52%	0.524	S	S	*	.			trans	-100.2	0	176.5	-71.2	175.1	45.6	0	0	111	L192	L192-Q196 PolarHBondContact O-NE2 2.95Å; L192-Q196 VanDerWaalsContact O-NE2 3.15Å

Retrieved 196 of 196 residues in 543.4 ms (Link to these results)

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