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Junctophilin

Junctophilins contribute to the formation of junctional membrane complexes (JMCs) which link the plasma membrane with the endoplasmic or sarcoplasmic reticulum in excitable cells. Provides a structural foundation for functional cross-talk between the cell surface and intracellular calcium release channels.

AlphaFold DB , UniProt , Accession A0A096NXA9, Species PAPAN (Papio anubis, Olive baboon), Gene JPH2, Length 696 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.3	Low	85.5	Confident	227 Å²	227	91.8 Å²	91.8	100%	1.118	51%	0.509	S	S	*	.				0	119.9	0	-71.8	148.6	160.1	0	0	107.6	G3	M1-G3 VanDerWaalsContact C-N 3.31Å; M1-G3 PolarHBondContact O-N 3.26Å
2	S	74	Confident	86	Confident	89 Å²	89	84.4 Å²	84.4	62%	0.622	47%	0.469	S	S	*	.			trans	-84.9	77.5	170	45.7	0	0	0	0	108.8	G17 W18	S2-G17 CarbonylContact O-C 3.54Å; S2-G17 WeakPolarHBondContact O-CA 3.32Å; S2-W18 VanDerWaalsContact CB-O 3.31Å; S2-W18 WeakPolarHBondContact CB-O 3.49Å; S2-W18 PolarHBondContact O-N 2.92Å; S2-W18 PolarHBondContact OG-O 3.19Å
3	G	84.1	Confident	86.7	Confident	30 Å²	30	78.2 Å²	78.2	31%	0.309	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	150.7	179.2	0	0	0	0	0	111.1	M1 G16	M1-G3 VanDerWaalsContact C-N 3.31Å; M1-G3 PolarHBondContact O-N 3.26Å; G3-G16 CarbonylContact C-O 3.55Å; G3-G16 VanDerWaalsContact CA-O 3.26Å; G3-G16 WeakPolarHBondContact CA-O 3.29Å
4	G	91.9	Very high	87.3	Confident	21 Å²	21	72.9 Å²	72.9	22%	0.216	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.4	167.1	176.9	0	0	0	0	0	113.8	G16 W18	G4-G16 PolarHBondContact N-O 3.3Å; G4-G16 PolarHBondContact O-N 2.88Å; G4-W18 PolarHBondContact O-NE1 3.45Å
5	R	93.7	Very high	87.9	Confident	115 Å²	115	68.1 Å²	68.1	43%	0.434	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	144	170.5	176.3	177	169.1	167.2	0.9	110.6	D7 Y14 C15 A423	R5-D7 IonicContact CZ-OD1 3.43Å; R5-D7 VanDerWaalsContact CZ-OD1 3.27Å; R5-D7 IonicContact CZ-OD2 2.71Å; R5-D7 IonicContact NE-OD1 2.66Å; R5-D7 PolarHBondContact NE-OD1 3.36Å; R5-D7 IonicContact NE-OD2 2.68Å; R5-D7 PolarHBondContact NE-OD2 3.4Å; R5-D7 IonicContact NH2-OD1 3.27Å; R5-D7 PolarHBondContact NH2-OD1 3.48Å; R5-D7 IonicContact NH2-OD2 3.99Å; R5-Y14 CarbonylContact C-O 3.53Å; R5-Y14 VanDerWaalsContact CA-O 3.29Å; R5-Y14 WeakPolarHBondContact CA-O 3.48Å; R5-C15 HydrophobicContact CB-CB 4.48Å; R5-A423 HydrophobicContact CB-CB 4.37Å
6	F	93.3	Very high	88.4	Confident	104 Å²	104	63.8 Å²	63.8	46%	0.456	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	126.1	169.7	-177	-86.3	0	0	0	108.5	F8 A13 Y14 W18	F6-F8 AromaticContact CD1-CD1 3.8Å; F6-F8 HydrophobicContact CD1-CD1 3.8Å; F6-F8 AromaticContact CD1-CE1 3.69Å; F6-F8 HydrophobicContact CD1-CE1 3.69Å; F6-F8 HydrophobicContact CD1-CG 4.45Å; F6-F8 HydrophobicContact CD1-CZ 4.27Å; F6-F8 AromaticContact CE1-CD1 3.59Å; F6-F8 HydrophobicContact CE1-CD1 3.59Å; F6-F8 AromaticContact CE1-CE1 3.75Å; F6-F8 HydrophobicContact CE1-CE1 3.75Å; F6-F8 HydrophobicContact CE1-CG 4.45Å; F6-A13 CarbonylContact O-C 3.57Å; F6-A13 WeakPolarHBondContact O-CA 3.36Å; F6-Y14 PolarHBondContact N-O 2.96Å; F6-Y14 PolarHBondContact O-N 3.2Å; F6-W18 HydrophobicContact CB-CH2 3.93Å; F6-W18 HydrophobicContact CB-CZ2 3.53Å; F6-W18 HydrophobicContact CG-CH2 4.16Å; F6-W18 HydrophobicContact CG-CZ2 4.25Å
7	D	93.4	Very high	88.7	Confident	85 Å²	85	60.8 Å²	60.8	46%	0.455	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	136.5	178.3	-63.7	-82.7	0	0	0	109.8	R5 A13	R5-D7 IonicContact CZ-OD1 3.43Å; R5-D7 VanDerWaalsContact CZ-OD1 3.27Å; R5-D7 IonicContact CZ-OD2 2.71Å; R5-D7 IonicContact NE-OD1 2.66Å; R5-D7 PolarHBondContact NE-OD1 3.36Å; R5-D7 IonicContact NE-OD2 2.68Å; R5-D7 PolarHBondContact NE-OD2 3.4Å; R5-D7 IonicContact NH2-OD1 3.27Å; R5-D7 PolarHBondContact NH2-OD1 3.48Å; R5-D7 IonicContact NH2-OD2 3.99Å; D7-A13 HydrophobicContact CB-CB 4.47Å; D7-A13 VanDerWaalsContact OD1-CB 3.29Å; D7-A13 WeakPolarHBondContact OD1-CB 3.37Å
8	F	91	Very high	89	Confident	59 Å²	59	61.2 Å²	61.2	26%	0.259	34%	0.337	S	S	.	.			trans	-95.1	149.5	-178.4	-60.4	-70	0	0	0	111.3	F6 D10 G11 G12	F6-F8 AromaticContact CD1-CD1 3.8Å; F6-F8 HydrophobicContact CD1-CD1 3.8Å; F6-F8 AromaticContact CD1-CE1 3.69Å; F6-F8 HydrophobicContact CD1-CE1 3.69Å; F6-F8 HydrophobicContact CD1-CG 4.45Å; F6-F8 HydrophobicContact CD1-CZ 4.27Å; F6-F8 AromaticContact CE1-CD1 3.59Å; F6-F8 HydrophobicContact CE1-CD1 3.59Å; F6-F8 AromaticContact CE1-CE1 3.75Å; F6-F8 HydrophobicContact CE1-CE1 3.75Å; F6-F8 HydrophobicContact CE1-CG 4.45Å; F8-D10 WeakPolarHBondContact CB-OD1 3.44Å; F8-D10 PolarHBondContact O-N 2.86Å; F8-G11 PolarHBondContact O-N 3.05Å; F8-G12 PolarHBondContact N-O 2.99Å
9	D	90.8	Very high	89.3	Confident	183 Å²	183	62.7 Å²	62.7	98%	0.979	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-19.3	178.6	-62.1	-46.5	0	0	0	113.9	G11	D9-G11 VanDerWaalsContact C-N 3.31Å
10	D	89.8	Confident	89.3	Confident	50 Å²	50	63.3 Å²	63.3	27%	0.267	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-2.4	176.9	70.3	9.8	0	0	0	114.1	F8 G12 P32 K33	F8-D10 WeakPolarHBondContact CB-OD1 3.44Å; F8-D10 PolarHBondContact O-N 2.86Å; D10-G12 PolarHBondContact OD1-N 2.69Å; D10-P32 HydrophobicContact CB-CB 4.08Å; D10-P32 WeakPolarHBondContact OD2-CG 3.4Å; D10-K33 PolarHBondContact O-N 3.33Å
11	G	87.8	Confident	89.3	Confident	47 Å²	47	63.6 Å²	63.6	49%	0.485	38%	0.38	S	S	.	.	S	Bend	trans	81	12.2	-177.5	0	0	0	0	0	115	F8 D9 K33 G34	F8-G11 PolarHBondContact O-N 3.05Å; D9-G11 VanDerWaalsContact C-N 3.31Å; G11-K33 CarbonylContact O-C 3.54Å; G11-K33 WeakPolarHBondContact O-CA 3.26Å; G11-K33 PolarHBondContact O-N 3.06Å; G11-G34 PolarHBondContact O-N 2.92Å
12	G	92.3	Very high	91.4	Very high	3 Å²	3	57.9 Å²	57.9	3%	0.031	35%	0.349	C	S	.	.			trans	-83.2	174.9	157.3	0	0	0	0	0	111.7	F8 D10 T30 G31	F8-G12 PolarHBondContact N-O 2.99Å; D10-G12 PolarHBondContact OD1-N 2.69Å; G12-T30 WeakPolarHBondContact CA-O 3.43Å; G12-G31 VanDerWaalsContact CA-O 3.29Å; G12-G31 WeakPolarHBondContact CA-O 3.29Å
13	A	94.1	Very high	92.3	Very high	4 Å²	4	54.1 Å²	54.1	3%	0.033	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	147.7	174.3	0	0	0	0	0	112.3	F6 D7 C29 T30 F426	F6-A13 CarbonylContact O-C 3.57Å; F6-A13 WeakPolarHBondContact O-CA 3.36Å; D7-A13 HydrophobicContact CB-CB 4.47Å; D7-A13 VanDerWaalsContact OD1-CB 3.29Å; D7-A13 WeakPolarHBondContact OD1-CB 3.37Å; A13-C29 CarbonylContact O-C 3.6Å; A13-C29 WeakPolarHBondContact O-CA 3.22Å; A13-T30 PolarHBondContact N-OG1 2.84Å; A13-T30 PolarHBondContact O-N 2.8Å; A13-T30 PolarHBondContact O-OG1 2.82Å; A13-F426 HydrophobicContact CB-CE2 3.94Å
14	Y	95.3	Very high	92.9	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.016	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	139.2	169.5	178.8	-94.6	0	0	0	110.6	R5 F6 G16 G17 W18 A23 L28 C29 W42	R5-Y14 CarbonylContact C-O 3.53Å; R5-Y14 VanDerWaalsContact CA-O 3.29Å; R5-Y14 WeakPolarHBondContact CA-O 3.48Å; F6-Y14 PolarHBondContact N-O 2.96Å; F6-Y14 PolarHBondContact O-N 3.2Å; Y14-G16 VanDerWaalsContact CE1-CA 3.48Å; Y14-G17 PolarHBondContact OH-N 2.8Å; Y14-G17 PolarHBondContact OH-O 3.38Å; Y14-W18 AromaticContact CD1-CE2 3.75Å; Y14-W18 HydrophobicContact CD1-CH2 4.29Å; Y14-W18 AromaticContact CD1-CZ2 3.45Å; Y14-W18 HydrophobicContact CD1-CZ2 3.45Å; Y14-W18 VanDerWaalsContact CD1-CZ2 3.45Å; Y14-W18 AromaticContact CD1-NE1 3.86Å; Y14-W18 AromaticContact CE1-CE2 3.78Å; Y14-W18 AromaticContact CE1-CZ2 3.94Å; Y14-W18 HydrophobicContact CE1-CZ2 3.94Å; Y14-W18 AromaticContact CE1-NE1 3.7Å; Y14-W18 HydrophobicContact CG-CZ2 4.38Å; Y14-A23 HydrophobicContact CD2-CB 4.3Å; Y14-A23 HydrophobicContact CE1-CB 4.06Å; Y14-A23 HydrophobicContact CE2-CB 3.63Å; Y14-A23 VanDerWaalsContact CZ-CB 3.49Å; Y14-L28 CarbonylContact C-O 3.42Å; Y14-L28 WeakPolarHBondContact CA-O 3.36Å; Y14-C29 HydrophobicContact CD2-CB 4.17Å; Y14-W42 HydrophobicContact CD2-CZ2 4.17Å; Y14-W42 AromaticContact CE2-CD2 3.95Å; Y14-W42 HydrophobicContact CE2-CD2 3.95Å; Y14-W42 AromaticContact CE2-CE2 3.61Å; Y14-W42 HydrophobicContact CE2-CG 4.23Å; Y14-W42 AromaticContact CE2-CZ2 3.96Å; Y14-W42 HydrophobicContact CE2-CZ2 3.96Å; Y14-W42 AromaticContact CE2-NE1 3.69Å
15	C	96	Very high	93	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	116	166.7	-169.7	0	0	0	0	109.6	R5 G27 L28 A419 F426	R5-C15 HydrophobicContact CB-CB 4.48Å; C15-G27 WeakPolarHBondContact O-CA 3.41Å; C15-L28 PolarHBondContact N-O 3.05Å; C15-L28 PolarHBondContact O-N 2.85Å; C15-A419 HydrophobicContact CB-CB 4.19Å; C15-F426 HydrophobicContact CB-CD1 3.59Å; C15-F426 HydrophobicContact CB-CE1 3.58Å; C15-F426 HydrophobicContact CB-CG 4.23Å; C15-F426 HydrophobicContact CB-CZ 4.23Å
16	G	95.9	Very high	93.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.9	-164.6	-171.8	0	0	0	0	0	114.1	G3 G4 Y14 W18 H26	G3-G16 CarbonylContact C-O 3.55Å; G3-G16 VanDerWaalsContact CA-O 3.26Å; G3-G16 WeakPolarHBondContact CA-O 3.29Å; G4-G16 PolarHBondContact N-O 3.3Å; G4-G16 PolarHBondContact O-N 2.88Å; Y14-G16 VanDerWaalsContact CE1-CA 3.48Å; G16-W18 VanDerWaalsContact O-CD1 3.31Å; G16-H26 WeakPolarHBondContact CA-O 3.41Å
17	G	94.7	Very high	93.3	Very high	13 Å²	13	47.9 Å²	47.9	13%	0.134	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	153.7	175.5	0	0	0	0	0	114	S2 Y14 H24 H26	S2-G17 CarbonylContact O-C 3.54Å; S2-G17 WeakPolarHBondContact O-CA 3.32Å; Y14-G17 PolarHBondContact OH-N 2.8Å; Y14-G17 PolarHBondContact OH-O 3.38Å; G17-H24 CarbonylContact C-O 3.55Å; G17-H24 WeakPolarHBondContact CA-O 3.25Å; G17-H24 PolarHBondContact O-N 3.29Å; G17-H24 VanDerWaalsContact O-O 3.1Å; G17-H26 PolarHBondContact N-O 2.93Å
18	W	94.1	Very high	93.5	Very high	68 Å²	68	43.8 Å²	43.8	26%	0.258	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	134.7	-177.7	-67.4	87	0	0	0	111.5	S2 G4 F6 Y14 G16 K22	S2-W18 VanDerWaalsContact CB-O 3.31Å; S2-W18 WeakPolarHBondContact CB-O 3.49Å; S2-W18 PolarHBondContact O-N 2.92Å; S2-W18 PolarHBondContact OG-O 3.19Å; G4-W18 PolarHBondContact O-NE1 3.45Å; F6-W18 HydrophobicContact CB-CH2 3.93Å; F6-W18 HydrophobicContact CB-CZ2 3.53Å; F6-W18 HydrophobicContact CG-CH2 4.16Å; F6-W18 HydrophobicContact CG-CZ2 4.25Å; Y14-W18 AromaticContact CD1-CE2 3.75Å; Y14-W18 HydrophobicContact CD1-CH2 4.29Å; Y14-W18 AromaticContact CD1-CZ2 3.45Å; Y14-W18 HydrophobicContact CD1-CZ2 3.45Å; Y14-W18 VanDerWaalsContact CD1-CZ2 3.45Å; Y14-W18 AromaticContact CD1-NE1 3.86Å; Y14-W18 AromaticContact CE1-CE2 3.78Å; Y14-W18 AromaticContact CE1-CZ2 3.94Å; Y14-W18 HydrophobicContact CE1-CZ2 3.94Å; Y14-W18 AromaticContact CE1-NE1 3.7Å; Y14-W18 HydrophobicContact CG-CZ2 4.38Å; G16-W18 VanDerWaalsContact O-CD1 3.31Å; W18-K22 WeakPolarHBondContact CA-O 3.25Å; W18-K22 VanDerWaalsContact CE3-C 3.5Å
19	E	94.4	Very high	93.6	Very high	90 Å²	90	41.1 Å²	41.1	42%	0.421	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	135.9	172	-170.1	178	-144.9	0	0	110	G21 K22 H24 F44	E19-G21 PolarHBondContact O-N 2.98Å; E19-G21 VanDerWaalsContact O-N 3.08Å; E19-K22 PolarHBondContact N-O 2.95Å; E19-K22 PolarHBondContact O-N 2.97Å; E19-K22 VanDerWaalsContact O-O 3.11Å; E19-H24 HydrophobicContact CB-CB 3.62Å; E19-H24 IonicContact OE2-CD2 3.13Å; E19-H24 IonicContact OE2-CE1 3.26Å; E19-H24 PolarHBondContact OE2-CE1 3.21Å; E19-H24 IonicContact OE2-CG 2.99Å; E19-H24 IonicContact OE2-ND1 2.69Å; E19-H24 PolarHBondContact OE2-ND1 3.23Å; E19-H24 IonicContact OE2-NE2 3.63Å; E19-F44 HydrophobicContact CB-CE1 4.35Å; E19-F44 HydrophobicContact CG-CE1 3.99Å; E19-F44 WeakPolarHBondContact OE2-CE1 3.43Å; E19-F44 WeakPolarHBondContact OE2-CZ 3.48Å
20	G	89.7	Confident	93.8	Very high	74 Å²	74	32.9 Å²	32.9	76%	0.763	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	24.9	178.9	0	0	0	0	0	115	K22	G20-K22 VanDerWaalsContact C-N 3.35Å
21	G	89.6	Confident	93.8	Very high	70 Å²	70	30.5 Å²	30.5	72%	0.722	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.6	15.5	-174.1	0	0	0	0	0	114.8	E19	E19-G21 PolarHBondContact O-N 2.98Å; E19-G21 VanDerWaalsContact O-N 3.08Å
22	K	93.3	Very high	93.9	Very high	107 Å²	107	30.5 Å²	30.5	47%	0.465	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	157.4	-179.7	-51.5	-175.2	-171.9	176.5	0	111.1	W18 E19 G20 H24 F44	W18-K22 WeakPolarHBondContact CA-O 3.25Å; W18-K22 VanDerWaalsContact CE3-C 3.5Å; E19-K22 PolarHBondContact N-O 2.95Å; E19-K22 PolarHBondContact O-N 2.97Å; E19-K22 VanDerWaalsContact O-O 3.11Å; G20-K22 VanDerWaalsContact C-N 3.35Å; K22-H24 PolarHBondContact O-N 3.24Å; K22-F44 HydrophobicContact CD-CB 4.19Å; K22-F44 WeakPolarHBondContact CD-O 3.3Å
23	A	94	Very high	93.6	Very high	10 Å²	10	38.5 Å²	38.5	8%	0.083	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	128.2	171.5	0	0	0	0	0	111	Y14 W42 F44 G45	Y14-A23 HydrophobicContact CD2-CB 4.3Å; Y14-A23 HydrophobicContact CE1-CB 4.06Å; Y14-A23 HydrophobicContact CE2-CB 3.63Å; Y14-A23 VanDerWaalsContact CZ-CB 3.49Å; A23-W42 HydrophobicContact CB-CB 4.26Å; A23-W42 HydrophobicContact CB-CD2 4Å; A23-W42 HydrophobicContact CB-CE3 3.79Å; A23-W42 HydrophobicContact CB-CG 4.21Å; A23-W42 HydrophobicContact CB-CZ3 4.48Å; A23-F44 PolarHBondContact O-N 3Å; A23-G45 PolarHBondContact O-N 3.27Å
24	H	95.3	Very high	92.8	Very high	57 Å²	57	39.3 Å²	39.3	26%	0.264	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	148.2	179.8	-169.4	108.7	0	0	0	110.8	G17 E19 K22 W42 F44	G17-H24 CarbonylContact C-O 3.55Å; G17-H24 WeakPolarHBondContact CA-O 3.25Å; G17-H24 PolarHBondContact O-N 3.29Å; G17-H24 VanDerWaalsContact O-O 3.1Å; E19-H24 HydrophobicContact CB-CB 3.62Å; E19-H24 IonicContact OE2-CD2 3.13Å; E19-H24 IonicContact OE2-CE1 3.26Å; E19-H24 PolarHBondContact OE2-CE1 3.21Å; E19-H24 IonicContact OE2-CG 2.99Å; E19-H24 IonicContact OE2-ND1 2.69Å; E19-H24 PolarHBondContact OE2-ND1 3.23Å; E19-H24 IonicContact OE2-NE2 3.63Å; K22-H24 PolarHBondContact O-N 3.24Å; H24-W42 CarbonylContact C-O 3.54Å; H24-F44 AromaticContact ND1-CE2 3.98Å; H24-F44 AromaticContact ND1-CZ 3.9Å
25	G	95.5	Very high	92.5	Very high	24 Å²	24	43.9 Å²	43.9	25%	0.247	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	80.8	-131.6	178.5	0	0	0	0	0	109.7	S41 W42	G25-S41 CarbonylContact O-C 3.56Å; G25-S41 VanDerWaalsContact O-CA 3.28Å; G25-S41 WeakPolarHBondContact O-CA 3.29Å; G25-W42 PolarHBondContact N-O 3.27Å; G25-W42 PolarHBondContact O-N 3.32Å
26	H	96.9	Very high	92.3	Very high	57 Å²	57	43.9 Å²	43.9	26%	0.264	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	139.6	-179.1	-51.6	88.3	0	0	0	110.6	G16 G17 E411 I414 A415	G16-H26 WeakPolarHBondContact CA-O 3.41Å; G17-H26 PolarHBondContact N-O 2.93Å; H26-E411 IonicContact CD2-OE2 2.75Å; H26-E411 PolarHBondContact CD2-OE2 2.91Å; H26-E411 VanDerWaalsContact CD2-OE2 3.28Å; H26-E411 IonicContact NE2-OE2 2.66Å; H26-E411 PolarHBondContact NE2-OE2 3.22Å; H26-I414 HydrophobicContact CB-CG2 4.07Å; H26-I414 VanDerWaalsContact CD2-CG2 3.49Å; H26-I414 WeakPolarHBondContact CD2-CG2 3.4Å; H26-A415 HydrophobicContact CB-CB 4.15Å
27	G	96.1	Very high	92.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.9	158.3	178.8	0	0	0	0	0	114.7	C15 G40 W42	C15-G27 WeakPolarHBondContact O-CA 3.41Å; G27-G40 PolarHBondContact N-O 3.02Å; G27-G40 PolarHBondContact O-N 3.26Å; G27-G40 VanDerWaalsContact O-N 3.14Å; G27-W42 PolarHBondContact O-NE1 2.91Å
28	L	96.1	Very high	92.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	130.7	178.9	-170	171.7	0	0	0	108.5	Y14 C15 T30 E37 Y38 R416 A419 F426 Q428	Y14-L28 CarbonylContact C-O 3.42Å; Y14-L28 WeakPolarHBondContact CA-O 3.36Å; C15-L28 PolarHBondContact N-O 3.05Å; C15-L28 PolarHBondContact O-N 2.85Å; L28-T30 HydrophobicContact CD2-CG2 4.01Å; L28-E37 HydrophobicContact CD1-CG 4.42Å; L28-E37 HydrophobicContact CD2-CG 3.47Å; L28-E37 VanDerWaalsContact CD2-CG 3.47Å; L28-E37 HydrophobicContact CG-CG 4Å; L28-Y38 CarbonylContact C-O 3.52Å; L28-Y38 VanDerWaalsContact CA-O 3.28Å; L28-Y38 WeakPolarHBondContact CA-O 3.45Å; L28-Y38 WeakPolarHBondContact CG-O 3.44Å; L28-R416 HydrophobicContact CD1-CG 4.21Å; L28-A419 HydrophobicContact CB-CB 4.36Å; L28-F426 HydrophobicContact CB-CE1 4.32Å; L28-F426 HydrophobicContact CD1-CE1 4.17Å; L28-F426 HydrophobicContact CD2-CE1 3.72Å; L28-F426 HydrophobicContact CD2-CZ 3.86Å; L28-F426 HydrophobicContact CG-CE1 4.28Å; L28-Q428 HydrophobicContact CD1-CB 4.11Å; L28-Q428 HydrophobicContact CD1-CG 3.66Å
29	C	95.1	Very high	92.5	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.014	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	128.7	175	-172.6	0	0	0	0	109.7	A13 Y14 E37 Y38 W42 H567	A13-C29 CarbonylContact O-C 3.6Å; A13-C29 WeakPolarHBondContact O-CA 3.22Å; Y14-C29 HydrophobicContact CD2-CB 4.17Å; C29-E37 CarbonylContact O-C 3.58Å; C29-E37 WeakPolarHBondContact O-CA 3.41Å; C29-Y38 PolarHBondContact N-O 3.01Å; C29-Y38 PolarHBondContact O-N 3.47Å; C29-W42 HydrophobicContact CB-CH2 3.85Å; C29-W42 HydrophobicContact CB-CZ2 3.59Å; C29-H567 PolarHBondContact SG-CE1 2.74Å
30	T	94.7	Very high	92.6	Very high	10 Å²	10	35.8 Å²	35.8	6%	0.061	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	141.2	168.4	52.4	0	0	0	0	110.5	G12 A13 L28 G36 E37 F426 P429	G12-T30 WeakPolarHBondContact CA-O 3.43Å; A13-T30 PolarHBondContact N-OG1 2.84Å; A13-T30 PolarHBondContact O-N 2.8Å; A13-T30 PolarHBondContact O-OG1 2.82Å; L28-T30 HydrophobicContact CD2-CG2 4.01Å; T30-G36 WeakPolarHBondContact CA-O 3.42Å; T30-E37 HydrophobicContact CG2-CG 4.26Å; T30-F426 HydrophobicContact CG2-CZ 4.22Å; T30-P429 HydrophobicContact CG2-CG 3.99Å
31	G	89.4	Confident	93	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-69.9	173.4	177.3	0	0	0	0	0	113	G12 K33 G34 Q35 G36	G12-G31 VanDerWaalsContact CA-O 3.29Å; G12-G31 WeakPolarHBondContact CA-O 3.29Å; G31-K33 PolarHBondContact O-N 2.9Å; G31-G34 CarbonylContact O-C 3.37Å; G31-G34 VanDerWaalsContact O-CA 3.25Å; G31-G34 WeakPolarHBondContact O-CA 3.31Å; G31-G34 PolarHBondContact O-N 3.08Å; G31-Q35 PolarHBondContact O-N 3.08Å; G31-G36 PolarHBondContact N-O 3.06Å
32	P	88.8	Confident	93.3	Very high	48 Å²	48	30.7 Å²	30.7	31%	0.312	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-47.4	134.6	179.5	-25.2	29.3	0	0	0	112.3	D10 G34 Q35	D10-P32 HydrophobicContact CB-CB 4.08Å; D10-P32 WeakPolarHBondContact OD2-CG 3.4Å; P32-G34 PolarHBondContact O-N 2.94Å; P32-Q35 VanDerWaalsContact O-CB 3.25Å; P32-Q35 WeakPolarHBondContact O-CB 3.45Å; P32-Q35 WeakPolarHBondContact O-CG 3.43Å; P32-Q35 PolarHBondContact O-N 3.21Å
33	K	86.4	Confident	93.4	Very high	171 Å²	171	29.3 Å²	29.3	74%	0.743	16%	0.157	S	C	*	.	G	3₁₀ helix	trans	53.5	35.8	-175.4	-49.4	175.2	-175.8	176.9	0	113.3	D10 G11 G31 Q35	D10-K33 PolarHBondContact O-N 3.33Å; G11-K33 CarbonylContact O-C 3.54Å; G11-K33 WeakPolarHBondContact O-CA 3.26Å; G11-K33 PolarHBondContact O-N 3.06Å; G31-K33 PolarHBondContact O-N 2.9Å; K33-Q35 HydrophobicContact CB-CG 4.41Å; K33-Q35 PolarHBondContact O-N 3.19Å; K33-Q35 PolarHBondContact O-NE2 3.1Å
34	G	78.8	Confident	93.3	Very high	21 Å²	21	33.1 Å²	33.1	22%	0.216	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	62.7	16.7	-174.2	0	0	0	0	0	115.2	G11 G31 P32 G36 Y433	G11-G34 PolarHBondContact O-N 2.92Å; G31-G34 CarbonylContact O-C 3.37Å; G31-G34 VanDerWaalsContact O-CA 3.25Å; G31-G34 WeakPolarHBondContact O-CA 3.31Å; G31-G34 PolarHBondContact O-N 3.08Å; P32-G34 PolarHBondContact O-N 2.94Å; G34-G36 PolarHBondContact O-N 3.48Å; G34-Y433 PolarHBondContact O-OH 2.86Å
35	Q	86.9	Confident	93.2	Very high	99 Å²	99	31.2 Å²	31.2	46%	0.463	17%	0.167	S	C	.	.			trans	-82.2	100.1	-173.3	-64	-55.4	-56.7	0	0	112.2	G31 P32 K33 P55	G31-Q35 PolarHBondContact O-N 3.08Å; P32-Q35 VanDerWaalsContact O-CB 3.25Å; P32-Q35 WeakPolarHBondContact O-CB 3.45Å; P32-Q35 WeakPolarHBondContact O-CG 3.43Å; P32-Q35 PolarHBondContact O-N 3.21Å; K33-Q35 HydrophobicContact CB-CG 4.41Å; K33-Q35 PolarHBondContact O-N 3.19Å; K33-Q35 PolarHBondContact O-NE2 3.1Å; Q35-P55 HydrophobicContact CB-CG 4.2Å
36	G	91.9	Very high	93.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	82.5	165.5	-179.2	0	0	0	0	0	112.3	T30 G31 G34 T53 Y433	T30-G36 WeakPolarHBondContact CA-O 3.42Å; G31-G36 PolarHBondContact N-O 3.06Å; G34-G36 PolarHBondContact O-N 3.48Å; G36-T53 VanDerWaalsContact CA-O 3.27Å; G36-T53 WeakPolarHBondContact CA-O 3.45Å; G36-Y433 PolarHBondContact N-OH 2.88Å
37	E	95.5	Very high	93	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	121.7	-164.5	-168.1	-158.7	69.6	0	0	110.9	L28 C29 T30 Y52 T53 R416 Q428 P429 G430	L28-E37 HydrophobicContact CD1-CG 4.42Å; L28-E37 HydrophobicContact CD2-CG 3.47Å; L28-E37 VanDerWaalsContact CD2-CG 3.47Å; L28-E37 HydrophobicContact CG-CG 4Å; C29-E37 CarbonylContact O-C 3.58Å; C29-E37 WeakPolarHBondContact O-CA 3.41Å; T30-E37 HydrophobicContact CG2-CG 4.26Å; E37-Y52 CarbonylContact O-C 3.43Å; E37-Y52 VanDerWaalsContact O-CA 3.27Å; E37-Y52 WeakPolarHBondContact O-CA 3.44Å; E37-T53 PolarHBondContact N-O 3.29Å; E37-T53 PolarHBondContact O-N 2.96Å; E37-R416 VanDerWaalsContact CD-NH1 3.33Å; E37-R416 IonicContact OE1-CZ 3.56Å; E37-R416 IonicContact OE1-NH1 3.27Å; E37-R416 PolarHBondContact OE1-NH1 3.34Å; E37-R416 IonicContact OE1-NH2 2.92Å; E37-R416 PolarHBondContact OE1-NH2 3.2Å; E37-R416 IonicContact OE2-NH1 2.63Å; E37-R416 PolarHBondContact OE2-NH1 3.43Å; E37-Q428 WeakPolarHBondContact OE2-CA 3.45Å; E37-P429 HydrophobicContact CB-CG 4.27Å; E37-P429 HydrophobicContact CG-CG 4.48Å; E37-P429 VanDerWaalsContact OE2-CD 3.31Å; E37-P429 WeakPolarHBondContact OE2-CD 3.28Å; E37-P429 VanDerWaalsContact OE2-N 3.14Å; E37-G430 VanDerWaalsContact CD-N 3.31Å; E37-G430 WeakPolarHBondContact OE1-CA 3.35Å; E37-G430 PolarHBondContact OE2-N 2.85Å
38	Y	96.7	Very high	93	Very high	2 Å²	2	35 Å²	35	1%	0.008	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	142	162.1	-177.7	-88.3	0	0	0	110.2	L28 C29 S41 W42 E47 A49 G50 V51 W64	L28-Y38 CarbonylContact C-O 3.52Å; L28-Y38 VanDerWaalsContact CA-O 3.28Å; L28-Y38 WeakPolarHBondContact CA-O 3.45Å; L28-Y38 WeakPolarHBondContact CG-O 3.44Å; C29-Y38 PolarHBondContact N-O 3.01Å; C29-Y38 PolarHBondContact O-N 3.47Å; Y38-S41 PolarHBondContact OH-O 3.47Å; Y38-S41 VanDerWaalsContact OH-O 3.13Å; Y38-W42 AromaticContact CD1-CE2 3.69Å; Y38-W42 HydrophobicContact CD1-CH2 4.33Å; Y38-W42 AromaticContact CD1-CZ2 3.38Å; Y38-W42 HydrophobicContact CD1-CZ2 3.38Å; Y38-W42 AromaticContact CD1-NE1 3.72Å; Y38-W42 AromaticContact CE1-CE2 3.69Å; Y38-W42 AromaticContact CE1-CZ2 3.84Å; Y38-W42 HydrophobicContact CE1-CZ2 3.84Å; Y38-W42 AromaticContact CE1-NE1 3.51Å; Y38-W42 HydrophobicContact CG-CZ2 4.16Å; Y38-E47 HydrophobicContact CD1-CG 4.49Å; Y38-E47 HydrophobicContact CD2-CB 4.44Å; Y38-E47 HydrophobicContact CD2-CG 4.07Å; Y38-E47 HydrophobicContact CE1-CB 4.37Å; Y38-E47 HydrophobicContact CE1-CG 4.31Å; Y38-E47 HydrophobicContact CE2-CB 3.74Å; Y38-E47 HydrophobicContact CE2-CG 3.86Å; Y38-E47 HydrophobicContact CG-CG 4.37Å; Y38-A49 PolarHBondContact OH-O 3.37Å; Y38-G50 PolarHBondContact OH-N 2.79Å; Y38-V51 CarbonylContact C-O 3.51Å; Y38-W64 HydrophobicContact CD2-CZ2 4.24Å; Y38-W64 AromaticContact CE2-CD1 3.8Å; Y38-W64 HydrophobicContact CE2-CD2 4.01Å; Y38-W64 AromaticContact CE2-CE2 3.73Å; Y38-W64 HydrophobicContact CE2-CG 4.06Å; Y38-W64 HydrophobicContact CE2-CZ2 4.27Å; Y38-W64 AromaticContact CE2-NE1 3.59Å
39	S	97.3	Very high	93	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	119.9	173.5	50.7	0	0	0	0	110.4	G50 V51 S412 R416	S39-G50 CarbonylContact O-C 3.55Å; S39-G50 WeakPolarHBondContact O-CA 3.31Å; S39-V51 PolarHBondContact N-O 3.43Å; S39-V51 PolarHBondContact O-N 2.91Å; S39-V51 PolarHBondContact OG-O 3Å; S39-V51 VanDerWaalsContact OG-O 3.09Å; S39-S412 WeakPolarHBondContact CB-OG 3.39Å; S39-S412 WeakPolarHBondContact O-CA 3.35Å; S39-S412 WeakPolarHBondContact O-CB 3.2Å; S39-S412 PolarHBondContact OG-OG 3.33Å; S39-R416 PolarHBondContact OG-NH2 2.86Å
40	G	97.1	Very high	93.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.4	-150.4	-177.4	0	0	0	0	0	114.1	G27	G27-G40 PolarHBondContact N-O 3.02Å; G27-G40 PolarHBondContact O-N 3.26Å; G27-G40 VanDerWaalsContact O-N 3.14Å
41	S	96.9	Very high	93.2	Very high	18 Å²	18	35 Å²	35	13%	0.126	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	144.7	-178.8	51.3	0	0	0	0	114	G25 Y38 V48 A49 E411	G25-S41 CarbonylContact O-C 3.56Å; G25-S41 VanDerWaalsContact O-CA 3.28Å; G25-S41 WeakPolarHBondContact O-CA 3.29Å; Y38-S41 PolarHBondContact OH-O 3.47Å; Y38-S41 VanDerWaalsContact OH-O 3.13Å; S41-V48 PolarHBondContact O-N 2.97Å; S41-A49 PolarHBondContact N-O 2.98Å; S41-A49 PolarHBondContact OG-N 3.05Å; S41-A49 PolarHBondContact OG-O 2.89Å; S41-E411 WeakPolarHBondContact CB-OE2 3.24Å
42	W	96.2	Very high	93.6	Very high	18 Å²	18	35.4 Å²	35.4	7%	0.068	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	141.7	-176.6	-65	81.7	0	0	0	110.3	Y14 A23 H24 G25 G27 C29 Y38 F46 E47	Y14-W42 HydrophobicContact CD2-CZ2 4.17Å; Y14-W42 AromaticContact CE2-CD2 3.95Å; Y14-W42 HydrophobicContact CE2-CD2 3.95Å; Y14-W42 AromaticContact CE2-CE2 3.61Å; Y14-W42 HydrophobicContact CE2-CG 4.23Å; Y14-W42 AromaticContact CE2-CZ2 3.96Å; Y14-W42 HydrophobicContact CE2-CZ2 3.96Å; Y14-W42 AromaticContact CE2-NE1 3.69Å; A23-W42 HydrophobicContact CB-CB 4.26Å; A23-W42 HydrophobicContact CB-CD2 4Å; A23-W42 HydrophobicContact CB-CE3 3.79Å; A23-W42 HydrophobicContact CB-CG 4.21Å; A23-W42 HydrophobicContact CB-CZ3 4.48Å; H24-W42 CarbonylContact C-O 3.54Å; G25-W42 PolarHBondContact N-O 3.27Å; G25-W42 PolarHBondContact O-N 3.32Å; G27-W42 PolarHBondContact O-NE1 2.91Å; C29-W42 HydrophobicContact CB-CH2 3.85Å; C29-W42 HydrophobicContact CB-CZ2 3.59Å; Y38-W42 AromaticContact CD1-CE2 3.69Å; Y38-W42 HydrophobicContact CD1-CH2 4.33Å; Y38-W42 AromaticContact CD1-CZ2 3.38Å; Y38-W42 HydrophobicContact CD1-CZ2 3.38Å; Y38-W42 AromaticContact CD1-NE1 3.72Å; Y38-W42 AromaticContact CE1-CE2 3.69Å; Y38-W42 AromaticContact CE1-CZ2 3.84Å; Y38-W42 HydrophobicContact CE1-CZ2 3.84Å; Y38-W42 AromaticContact CE1-NE1 3.51Å; Y38-W42 HydrophobicContact CG-CZ2 4.16Å; W42-F46 CarbonylContact C-O 3.58Å; W42-F46 VanDerWaalsContact CA-O 3.27Å; W42-F46 WeakPolarHBondContact CA-O 3.44Å; W42-E47 HydrophobicContact CE3-CG 4.39Å; W42-E47 HydrophobicContact CH2-CG 3.9Å; W42-E47 HydrophobicContact CZ2-CG 4.37Å; W42-E47 HydrophobicContact CZ3-CG 3.9Å
43	N	95.4	Very high	93.9	Very high	79 Å²	79	33.1 Å²	33.1	42%	0.422	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	110.6	174.4	-173.6	25.3	0	0	0	109.4	G45 F46 V48	N43-G45 VanDerWaalsContact C-N 3.28Å; N43-G45 PolarHBondContact O-N 2.89Å; N43-F46 PolarHBondContact N-O 2.92Å; N43-F46 PolarHBondContact O-N 3.32Å; N43-F46 VanDerWaalsContact O-N 3.08Å; N43-V48 HydrophobicContact CB-CG2 3.54Å
44	F	93.2	Very high	94.2	Very high	90 Å²	90	28 Å²	28	40%	0.395	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.4	45.1	179.9	-62.6	-68.8	0	0	0	115.2	E19 K22 A23 H24	E19-F44 HydrophobicContact CB-CE1 4.35Å; E19-F44 HydrophobicContact CG-CE1 3.99Å; E19-F44 WeakPolarHBondContact OE2-CE1 3.43Å; E19-F44 WeakPolarHBondContact OE2-CZ 3.48Å; K22-F44 HydrophobicContact CD-CB 4.19Å; K22-F44 WeakPolarHBondContact CD-O 3.3Å; A23-F44 PolarHBondContact O-N 3Å; H24-F44 AromaticContact ND1-CE2 3.98Å; H24-F44 AromaticContact ND1-CZ 3.9Å
45	G	92.4	Very high	94.9	Very high	17 Å²	17	29.2 Å²	29.2	18%	0.175	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.1	-1.3	176.9	0	0	0	0	0	115.7	A23 N43	A23-G45 PolarHBondContact O-N 3.27Å; N43-G45 VanDerWaalsContact C-N 3.28Å; N43-G45 PolarHBondContact O-N 2.89Å
46	F	93.5	Very high	94.9	Very high	84 Å²	84	27.8 Å²	27.8	37%	0.368	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	145.6	178.1	-63.5	-77.7	0	0	0	112.3	W42 N43 Y569	W42-F46 CarbonylContact C-O 3.58Å; W42-F46 VanDerWaalsContact CA-O 3.27Å; W42-F46 WeakPolarHBondContact CA-O 3.44Å; N43-F46 PolarHBondContact N-O 2.92Å; N43-F46 PolarHBondContact O-N 3.32Å; N43-F46 VanDerWaalsContact O-N 3.08Å; F46-Y569 WeakPolarHBondContact CE1-OH 3.27Å; F46-Y569 VanDerWaalsContact CZ-OH 3.29Å; F46-Y569 WeakPolarHBondContact CZ-OH 3.08Å
47	E	95.4	Very high	94.8	Very high	17 Å²	17	27.8 Å²	27.8	8%	0.079	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	138.5	172.8	-47	88.4	159.6	0	0	110.6	Y38 W42 W64 G67	Y38-E47 HydrophobicContact CD1-CG 4.49Å; Y38-E47 HydrophobicContact CD2-CB 4.44Å; Y38-E47 HydrophobicContact CD2-CG 4.07Å; Y38-E47 HydrophobicContact CE1-CB 4.37Å; Y38-E47 HydrophobicContact CE1-CG 4.31Å; Y38-E47 HydrophobicContact CE2-CB 3.74Å; Y38-E47 HydrophobicContact CE2-CG 3.86Å; Y38-E47 HydrophobicContact CG-CG 4.37Å; W42-E47 HydrophobicContact CE3-CG 4.39Å; W42-E47 HydrophobicContact CH2-CG 3.9Å; W42-E47 HydrophobicContact CZ2-CG 4.37Å; W42-E47 HydrophobicContact CZ3-CG 3.9Å; E47-W64 HydrophobicContact CB-CB 3.63Å; E47-W64 HydrophobicContact CB-CD2 4.4Å; E47-W64 HydrophobicContact CB-CG 3.96Å; E47-W64 CarbonylContact O-C 3.46Å; E47-W64 WeakPolarHBondContact O-CB 3.48Å; E47-G67 VanDerWaalsContact OE2-CA 3.28Å; E47-G67 WeakPolarHBondContact OE2-CA 3.25Å; E47-G67 PolarHBondContact OE2-N 3.46Å; E47-G67 VanDerWaalsContact OE2-N 3.08Å
48	V	95.3	Very high	94.7	Very high	59 Å²	59	29 Å²	29	36%	0.358	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	-59.8	-179.7	-178.9	0	0	0	0	112.2	S41 N43 Y63 W64	S41-V48 PolarHBondContact O-N 2.97Å; N43-V48 HydrophobicContact CB-CG2 3.54Å; V48-Y63 CarbonylContact O-C 3.12Å; V48-Y63 WeakPolarHBondContact O-CA 3.35Å; V48-W64 PolarHBondContact O-N 3.43Å
49	A	96.8	Very high	94.6	Very high	9 Å²	9	29.2 Å²	29.2	7%	0.074	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	122.9	177.5	0	0	0	0	0	110.1	Y38 S41 G62 Y63 E411	Y38-A49 PolarHBondContact OH-O 3.37Å; S41-A49 PolarHBondContact N-O 2.98Å; S41-A49 PolarHBondContact OG-N 3.05Å; S41-A49 PolarHBondContact OG-O 2.89Å; A49-G62 WeakPolarHBondContact CA-O 3.27Å; A49-Y63 HydrophobicContact CB-CD1 3.84Å; A49-Y63 HydrophobicContact CB-CE1 4Å; A49-E411 HydrophobicContact CB-CG 4.42Å
50	G	96.4	Very high	94.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.9	173.9	-173.4	0	0	0	0	0	114.5	Y38 S39 G62 W64	Y38-G50 PolarHBondContact OH-N 2.79Å; S39-G50 CarbonylContact O-C 3.55Å; S39-G50 WeakPolarHBondContact O-CA 3.31Å; G50-G62 PolarHBondContact N-O 2.9Å; G50-G62 PolarHBondContact O-N 3.22Å; G50-W64 PolarHBondContact O-NE1 3.21Å
51	V	97.5	Very high	94.4	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.012	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123	-178.5	-176.6	0	0	0	0	109.8	Y38 S39 F60 E61 A408 N409	Y38-V51 CarbonylContact C-O 3.51Å; S39-V51 PolarHBondContact N-O 3.43Å; S39-V51 PolarHBondContact O-N 2.91Å; S39-V51 PolarHBondContact OG-O 3Å; S39-V51 VanDerWaalsContact OG-O 3.09Å; V51-F60 WeakPolarHBondContact CA-O 3.11Å; V51-E61 HydrophobicContact CB-CG 4.32Å; V51-E61 HydrophobicContact CG1-CG 3.77Å; V51-E61 HydrophobicContact CG2-CB 4.34Å; V51-E61 HydrophobicContact CG2-CG 3.84Å; V51-A408 HydrophobicContact CG2-CB 4.46Å; V51-N409 HydrophobicContact CG2-CB 4.5Å
52	Y	96.3	Very high	94.4	Very high	10 Å²	10	30 Å²	30	4%	0.039	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	129.3	165.9	-170.7	-78.5	0	0	0	110.1	E37 W54 T59 F60 W64 Y566	E37-Y52 CarbonylContact O-C 3.43Å; E37-Y52 VanDerWaalsContact O-CA 3.27Å; E37-Y52 WeakPolarHBondContact O-CA 3.44Å; Y52-W54 AromaticContact CD1-CD2 3.79Å; Y52-W54 HydrophobicContact CD1-CD2 3.79Å; Y52-W54 AromaticContact CD1-CE2 3.65Å; Y52-W54 HydrophobicContact CD1-CE3 4.22Å; Y52-W54 HydrophobicContact CD1-CG 4.14Å; Y52-W54 HydrophobicContact CD1-CH2 4.36Å; Y52-W54 AromaticContact CD1-CZ2 3.95Å; Y52-W54 HydrophobicContact CD1-CZ2 3.95Å; Y52-W54 HydrophobicContact CD1-CZ3 4.5Å; Y52-W54 AromaticContact CD1-NE1 3.93Å; Y52-W54 HydrophobicContact CE1-CB 4.43Å; Y52-W54 AromaticContact CE1-CD1 3.49Å; Y52-W54 VanDerWaalsContact CE1-CD1 3.49Å; Y52-W54 AromaticContact CE1-CD2 3.83Å; Y52-W54 HydrophobicContact CE1-CD2 3.83Å; Y52-W54 AromaticContact CE1-CE2 3.65Å; Y52-W54 AromaticContact CE1-CG 3.71Å; Y52-W54 HydrophobicContact CE1-CG 3.71Å; Y52-W54 HydrophobicContact CE1-CZ2 4.33Å; Y52-W54 AromaticContact CE1-NE1 3.43Å; Y52-T59 CarbonylContact O-C 3.53Å; Y52-T59 WeakPolarHBondContact O-CA 3.33Å; Y52-F60 PolarHBondContact N-O 2.93Å; Y52-F60 PolarHBondContact O-N 3.17Å; Y52-W64 HydrophobicContact CD2-CH2 4.26Å; Y52-W64 HydrophobicContact CG-CH2 4.02Å; Y52-W64 HydrophobicContact CG-CZ2 4.35Å; Y52-Y566 HydrophobicContact CE2-CE1 4.27Å; Y52-Y566 WeakPolarHBondContact OH-CE1 3.28Å; Y52-Y566 PolarHBondContact OH-OH 3.03Å
53	T	95.7	Very high	94.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	122	173.9	-55.6	0	0	0	0	110.1	G36 E37 N58 T59 Y433 Q434	G36-T53 VanDerWaalsContact CA-O 3.27Å; G36-T53 WeakPolarHBondContact CA-O 3.45Å; E37-T53 PolarHBondContact N-O 3.29Å; E37-T53 PolarHBondContact O-N 2.96Å; T53-N58 WeakPolarHBondContact CA-O 3.4Å; T53-T59 HydrophobicContact CG2-CG2 4.41Å; T53-Y433 HydrophobicContact CG2-CD2 4.08Å; T53-Y433 HydrophobicContact CG2-CG 4.5Å; T53-Q434 HydrophobicContact CG2-CG 3.85Å; T53-Q434 PolarHBondContact OG1-NE2 3.41Å
54	W	93.8	Very high	94.3	Very high	64 Å²	64	31.3 Å²	31.3	24%	0.242	16%	0.159	C	C	.	.			trans	-78.6	157.5	173.1	-72.1	-80.8	0	0	0	111.5	Y52 S56 G57 N58 F60	Y52-W54 AromaticContact CD1-CD2 3.79Å; Y52-W54 HydrophobicContact CD1-CD2 3.79Å; Y52-W54 AromaticContact CD1-CE2 3.65Å; Y52-W54 HydrophobicContact CD1-CE3 4.22Å; Y52-W54 HydrophobicContact CD1-CG 4.14Å; Y52-W54 HydrophobicContact CD1-CH2 4.36Å; Y52-W54 AromaticContact CD1-CZ2 3.95Å; Y52-W54 HydrophobicContact CD1-CZ2 3.95Å; Y52-W54 HydrophobicContact CD1-CZ3 4.5Å; Y52-W54 AromaticContact CD1-NE1 3.93Å; Y52-W54 HydrophobicContact CE1-CB 4.43Å; Y52-W54 AromaticContact CE1-CD1 3.49Å; Y52-W54 VanDerWaalsContact CE1-CD1 3.49Å; Y52-W54 AromaticContact CE1-CD2 3.83Å; Y52-W54 HydrophobicContact CE1-CD2 3.83Å; Y52-W54 AromaticContact CE1-CE2 3.65Å; Y52-W54 AromaticContact CE1-CG 3.71Å; Y52-W54 HydrophobicContact CE1-CG 3.71Å; Y52-W54 HydrophobicContact CE1-CZ2 4.33Å; Y52-W54 AromaticContact CE1-NE1 3.43Å; W54-S56 PolarHBondContact O-N 2.79Å; W54-G57 PolarHBondContact O-N 3.17Å; W54-N58 HydrophobicContact CB-CB 4.45Å; W54-N58 HydrophobicContact CE3-CB 3.81Å; W54-N58 PolarHBondContact N-O 3.35Å; W54-F60 HydrophobicContact CH2-CB 3.77Å; W54-F60 HydrophobicContact CZ3-CB 3.92Å
55	P	92	Very high	94.3	Very high	46 Å²	46	29.4 Å²	29.4	30%	0.299	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-19.1	174.9	-28.5	36.1	0	0	0	115.8	Q35 G57 Y433	Q35-P55 HydrophobicContact CB-CG 4.2Å; P55-G57 VanDerWaalsContact C-N 3.3Å; P55-Y433 HydrophobicContact CB-CD1 4.39Å; P55-Y433 HydrophobicContact CB-CE1 3.97Å; P55-Y433 HydrophobicContact CB-CE2 4.42Å; P55-Y433 HydrophobicContact CG-CE2 4.33Å; P55-Y433 WeakPolarHBondContact O-CD1 3.29Å
56	S	88.5	Confident	94.2	Very high	68 Å²	68	34.4 Å²	34.4	48%	0.476	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	4	174.5	43.5	0	0	0	0	114.5	W54 N58	W54-S56 PolarHBondContact O-N 2.79Å; S56-N58 WeakPolarHBondContact CB-ND2 3.36Å; S56-N58 PolarHBondContact O-N 3.39Å; S56-N58 PolarHBondContact OG-ND2 3.23Å
57	G	89.6	Confident	94	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	69.4	6.3	-175.9	0	0	0	0	0	114.7	W54 P55 Y433 R437	W54-G57 PolarHBondContact O-N 3.17Å; P55-G57 VanDerWaalsContact C-N 3.3Å; G57-Y433 VanDerWaalsContact CA-O 3.26Å; G57-Y433 WeakPolarHBondContact CA-O 3.34Å; G57-R437 VanDerWaalsContact C-CD 3.46Å; G57-R437 WeakPolarHBondContact O-CD 3.22Å; G57-R437 PolarHBondContact O-NH1 3.12Å
58	N	92.3	Very high	93.8	Very high	26 Å²	26	35.1 Å²	35.1	14%	0.139	19%	0.187	C	C	.	.			trans	-67.7	148.2	167.3	-63.5	-45.7	0	0	0	109.2	T53 W54 S56 T76 K77 G78	T53-N58 WeakPolarHBondContact CA-O 3.4Å; W54-N58 HydrophobicContact CB-CB 4.45Å; W54-N58 HydrophobicContact CE3-CB 3.81Å; W54-N58 PolarHBondContact N-O 3.35Å; S56-N58 WeakPolarHBondContact CB-ND2 3.36Å; S56-N58 PolarHBondContact O-N 3.39Å; S56-N58 PolarHBondContact OG-ND2 3.23Å; N58-T76 VanDerWaalsContact CA-O 3.29Å; N58-T76 WeakPolarHBondContact CA-O 3.43Å; N58-T76 WeakPolarHBondContact CB-O 3.39Å; N58-K77 VanDerWaalsContact OD1-CA 3.3Å; N58-K77 WeakPolarHBondContact OD1-CA 3.29Å; N58-G78 PolarHBondContact OD1-N 2.93Å
59	T	94.5	Very high	93.7	Very high	7 Å²	7	33.3 Å²	33.3	4%	0.043	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	150.4	-179.1	59.8	0	0	0	0	112	Y52 T53 E61 E75 T76 Q434	Y52-T59 CarbonylContact O-C 3.53Å; Y52-T59 WeakPolarHBondContact O-CA 3.33Å; T53-T59 HydrophobicContact CG2-CG2 4.41Å; T59-E61 VanDerWaalsContact CB-OE1 3.3Å; T59-E61 WeakPolarHBondContact CB-OE1 3.18Å; T59-E61 PolarHBondContact OG1-OE1 2.92Å; T59-E75 WeakPolarHBondContact O-CA 3.45Å; T59-T76 PolarHBondContact N-O 2.85Å; T59-T76 PolarHBondContact O-N 2.84Å; T59-T76 VanDerWaalsContact OG1-CB 3.3Å; T59-T76 WeakPolarHBondContact OG1-CB 3.35Å; T59-T76 PolarHBondContact OG1-OG1 2.86Å; T59-Q434 HydrophobicContact CG2-CG 4.13Å
60	F	95.6	Very high	93.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	132.6	156.5	171.9	-87.4	0	0	0	109.4	V51 Y52 W54 Y63 W64 R69 I74 E75 W86	V51-F60 WeakPolarHBondContact CA-O 3.11Å; Y52-F60 PolarHBondContact N-O 2.93Å; Y52-F60 PolarHBondContact O-N 3.17Å; W54-F60 HydrophobicContact CH2-CB 3.77Å; W54-F60 HydrophobicContact CZ3-CB 3.92Å; F60-Y63 WeakPolarHBondContact CE1-O 3.17Å; F60-W64 AromaticContact CD1-CE2 3.62Å; F60-W64 HydrophobicContact CD1-CH2 4.19Å; F60-W64 AromaticContact CD1-CZ2 3.35Å; F60-W64 HydrophobicContact CD1-CZ2 3.35Å; F60-W64 AromaticContact CD1-NE1 3.76Å; F60-W64 HydrophobicContact CE1-CD2 4.4Å; F60-W64 AromaticContact CE1-CE2 3.69Å; F60-W64 AromaticContact CE1-CZ2 3.91Å; F60-W64 HydrophobicContact CE1-CZ2 3.91Å; F60-W64 AromaticContact CE1-NE1 3.59Å; F60-W64 HydrophobicContact CG-CZ2 4.32Å; F60-R69 HydrophobicContact CD1-CB 4.46Å; F60-R69 HydrophobicContact CD1-CG 3.79Å; F60-R69 HydrophobicContact CD2-CB 4.37Å; F60-R69 VanDerWaalsContact CD2-CD 3.47Å; F60-R69 HydrophobicContact CD2-CG 3.97Å; F60-R69 HydrophobicContact CE1-CB 4.03Å; F60-R69 HydrophobicContact CE1-CG 3.86Å; F60-R69 HydrophobicContact CE2-CB 3.94Å; F60-R69 HydrophobicContact CE2-CG 4.04Å; F60-R69 HydrophobicContact CG-CG 3.82Å; F60-R69 HydrophobicContact CZ-CB 3.75Å; F60-R69 HydrophobicContact CZ-CG 3.97Å; F60-I74 CarbonylContact C-O 3.58Å; F60-I74 VanDerWaalsContact CA-O 3.27Å; F60-I74 WeakPolarHBondContact CA-O 3.29Å; F60-I74 WeakPolarHBondContact CD2-O 3.2Å; F60-E75 HydrophobicContact CD2-CB 4.38Å; F60-W86 HydrophobicContact CD2-CZ2 4.1Å; F60-W86 AromaticContact CE2-CD1 3.75Å; F60-W86 AromaticContact CE2-CD2 3.81Å; F60-W86 HydrophobicContact CE2-CD2 3.81Å; F60-W86 AromaticContact CE2-CE2 3.58Å; F60-W86 AromaticContact CE2-CG 3.9Å; F60-W86 HydrophobicContact CE2-CG 3.9Å; F60-W86 HydrophobicContact CE2-CZ2 4.06Å; F60-W86 AromaticContact CE2-NE1 3.57Å; F60-W86 HydrophobicContact CZ-CG 4.35Å
61	E	96	Very high	93.2	Very high	34 Å²	34	36.9 Å²	36.9	16%	0.159	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	110	-170.5	-63.2	155.3	-121.1	0	0	108.2	V51 T59 G73 I74 A405 N409	V51-E61 HydrophobicContact CB-CG 4.32Å; V51-E61 HydrophobicContact CG1-CG 3.77Å; V51-E61 HydrophobicContact CG2-CB 4.34Å; V51-E61 HydrophobicContact CG2-CG 3.84Å; T59-E61 VanDerWaalsContact CB-OE1 3.3Å; T59-E61 WeakPolarHBondContact CB-OE1 3.18Å; T59-E61 PolarHBondContact OG1-OE1 2.92Å; E61-G73 CarbonylContact O-C 3.57Å; E61-G73 VanDerWaalsContact O-CA 3.26Å; E61-G73 WeakPolarHBondContact O-CA 3.48Å; E61-I74 PolarHBondContact N-O 3.09Å; E61-I74 PolarHBondContact O-N 3.48Å; E61-A405 HydrophobicContact CB-CB 3.8Å; E61-N409 PolarHBondContact OE2-ND2 2.78Å
62	G	95.5	Very high	92.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.4	-150.8	-177.4	0	0	0	0	0	113.4	A49 G50 W64	A49-G62 WeakPolarHBondContact CA-O 3.27Å; G50-G62 PolarHBondContact N-O 2.9Å; G50-G62 PolarHBondContact O-N 3.22Å; G62-W64 PolarHBondContact O-NE1 3Å
63	Y	95.3	Very high	92.6	Very high	97 Å²	97	38 Å²	38	38%	0.38	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	156.2	-176.1	-62.8	-71.5	0	0	0	114.2	V48 A49 F60 H70 L72 A404	V48-Y63 CarbonylContact O-C 3.12Å; V48-Y63 WeakPolarHBondContact O-CA 3.35Å; A49-Y63 HydrophobicContact CB-CD1 3.84Å; A49-Y63 HydrophobicContact CB-CE1 4Å; F60-Y63 WeakPolarHBondContact CE1-O 3.17Å; Y63-H70 CarbonylContact C-O 3.6Å; Y63-H70 WeakPolarHBondContact CB-O 3.45Å; Y63-H70 PolarHBondContact O-N 3.07Å; Y63-L72 HydrophobicContact CD2-CB 4.12Å; Y63-L72 WeakPolarHBondContact CD2-O 3.48Å; Y63-L72 HydrophobicContact CE2-CB 4.34Å; Y63-L72 PolarHBondContact N-O 2.95Å; Y63-A404 HydrophobicContact CD2-CB 3.9Å; Y63-A404 HydrophobicContact CE2-CB 3.41Å; Y63-A404 VanDerWaalsContact CE2-CB 3.41Å
64	W	95.2	Very high	92.4	Very high	28 Å²	28	38.4 Å²	38.4	11%	0.106	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	156.8	-175.5	-65.5	80.6	0	0	0	111	Y38 E47 V48 G50 Y52 F60 G62 K68 R69	Y38-W64 HydrophobicContact CD2-CZ2 4.24Å; Y38-W64 AromaticContact CE2-CD1 3.8Å; Y38-W64 HydrophobicContact CE2-CD2 4.01Å; Y38-W64 AromaticContact CE2-CE2 3.73Å; Y38-W64 HydrophobicContact CE2-CG 4.06Å; Y38-W64 HydrophobicContact CE2-CZ2 4.27Å; Y38-W64 AromaticContact CE2-NE1 3.59Å; E47-W64 HydrophobicContact CB-CB 3.63Å; E47-W64 HydrophobicContact CB-CD2 4.4Å; E47-W64 HydrophobicContact CB-CG 3.96Å; E47-W64 CarbonylContact O-C 3.46Å; E47-W64 WeakPolarHBondContact O-CB 3.48Å; V48-W64 PolarHBondContact O-N 3.43Å; G50-W64 PolarHBondContact O-NE1 3.21Å; Y52-W64 HydrophobicContact CD2-CH2 4.26Å; Y52-W64 HydrophobicContact CG-CH2 4.02Å; Y52-W64 HydrophobicContact CG-CZ2 4.35Å; F60-W64 AromaticContact CD1-CE2 3.62Å; F60-W64 HydrophobicContact CD1-CH2 4.19Å; F60-W64 AromaticContact CD1-CZ2 3.35Å; F60-W64 HydrophobicContact CD1-CZ2 3.35Å; F60-W64 AromaticContact CD1-NE1 3.76Å; F60-W64 HydrophobicContact CE1-CD2 4.4Å; F60-W64 AromaticContact CE1-CE2 3.69Å; F60-W64 AromaticContact CE1-CZ2 3.91Å; F60-W64 HydrophobicContact CE1-CZ2 3.91Å; F60-W64 AromaticContact CE1-NE1 3.59Å; F60-W64 HydrophobicContact CG-CZ2 4.32Å; G62-W64 PolarHBondContact O-NE1 3Å; W64-K68 WeakPolarHBondContact CA-O 3.26Å; W64-R69 HydrophobicContact CE3-CG 4.46Å; W64-R69 HydrophobicContact CH2-CG 3.93Å; W64-R69 HydrophobicContact CZ2-CG 4.34Å; W64-R69 HydrophobicContact CZ3-CG 3.99Å
65	S	93.1	Very high	92.4	Very high	49 Å²	49	35.9 Å²	35.9	34%	0.343	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	128.4	171.4	-170.9	0	0	0	0	109.3	G67 K68	S65-G67 PolarHBondContact O-N 3.43Å; S65-K68 PolarHBondContact N-O 2.92Å; S65-K68 WeakPolarHBondContact O-CB 3.2Å; S65-K68 PolarHBondContact O-N 3.44Å; S65-K68 VanDerWaalsContact O-O 3.12Å
66	Q	90.1	Very high	92.3	Very high	123 Å²	123	34.5 Å²	34.5	58%	0.575	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	48.5	176.3	-55.4	177.8	-6.9	0	0	113.6	K68	Q66-K68 PolarHBondContact O-N 2.84Å
67	G	88.9	Confident	92.1	Very high	31 Å²	31	35.3 Å²	35.3	32%	0.32	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	14.4	-178	0	0	0	0	0	114.9	E47 S65	E47-G67 VanDerWaalsContact OE2-CA 3.28Å; E47-G67 WeakPolarHBondContact OE2-CA 3.25Å; E47-G67 PolarHBondContact OE2-N 3.46Å; E47-G67 VanDerWaalsContact OE2-N 3.08Å; S65-G67 PolarHBondContact O-N 3.43Å
68	K	92.2	Very high	91.7	Very high	85 Å²	85	36.7 Å²	36.7	37%	0.37	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	143.9	-175.2	-65.3	167.9	-171.2	165.7	0	111.5	W64 S65 Q66 H70	W64-K68 WeakPolarHBondContact CA-O 3.26Å; S65-K68 PolarHBondContact N-O 2.92Å; S65-K68 WeakPolarHBondContact O-CB 3.2Å; S65-K68 PolarHBondContact O-N 3.44Å; S65-K68 VanDerWaalsContact O-O 3.12Å; Q66-K68 PolarHBondContact O-N 2.84Å; K68-H70 PolarHBondContact O-N 3.36Å
69	R	93.7	Very high	90.9	Very high	20 Å²	20	39.1 Å²	39.1	8%	0.075	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	127.1	170.7	-56.7	176	-68.9	-169.4	4	110	F60 W64 E75 W86 G89	F60-R69 HydrophobicContact CD1-CB 4.46Å; F60-R69 HydrophobicContact CD1-CG 3.79Å; F60-R69 HydrophobicContact CD2-CB 4.37Å; F60-R69 VanDerWaalsContact CD2-CD 3.47Å; F60-R69 HydrophobicContact CD2-CG 3.97Å; F60-R69 HydrophobicContact CE1-CB 4.03Å; F60-R69 HydrophobicContact CE1-CG 3.86Å; F60-R69 HydrophobicContact CE2-CB 3.94Å; F60-R69 HydrophobicContact CE2-CG 4.04Å; F60-R69 HydrophobicContact CG-CG 3.82Å; F60-R69 HydrophobicContact CZ-CB 3.75Å; F60-R69 HydrophobicContact CZ-CG 3.97Å; W64-R69 HydrophobicContact CE3-CG 4.46Å; W64-R69 HydrophobicContact CH2-CG 3.93Å; W64-R69 HydrophobicContact CZ2-CG 4.34Å; W64-R69 HydrophobicContact CZ3-CG 3.99Å; R69-E75 IonicContact CZ-OE1 3.19Å; R69-E75 IonicContact NH1-OE1 3.76Å; R69-E75 PolarHBondContact NH1-OE1 2.9Å; R69-E75 IonicContact NH2-OE1 3.27Å; R69-W86 HydrophobicContact CB-CB 4.41Å; R69-W86 HydrophobicContact CB-CD2 4.36Å; R69-W86 HydrophobicContact CB-CE3 4.06Å; R69-G89 PolarHBondContact NE-O 2.85Å; R69-G89 PolarHBondContact NH2-O 3.39Å; R69-G89 WeakPolarHBondContact O-CA 3.27Å; R69-G89 PolarHBondContact O-N 2.85Å
70	H	92	Very high	90.1	Very high	58 Å²	58	41.8 Å²	41.8	27%	0.269	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	165.2	-174.2	-153.3	102.7	0	0	0	110.8	Y63 K68 L72 W86	Y63-H70 CarbonylContact C-O 3.6Å; Y63-H70 WeakPolarHBondContact CB-O 3.45Å; Y63-H70 PolarHBondContact O-N 3.07Å; K68-H70 PolarHBondContact O-N 3.36Å; H70-L72 PolarHBondContact O-N 3.39Å; H70-W86 CarbonylContact C-O 3.52Å
71	G	89.3	Confident	89.6	Confident	27 Å²	27	43.7 Å²	43.7	28%	0.278	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	66.9	-131.2	171.8	0	0	0	0	0	111.9	E85 W86	G71-E85 CarbonylContact O-C 3.51Å; G71-E85 VanDerWaalsContact O-CA 3.29Å; G71-E85 WeakPolarHBondContact O-CA 3.28Å; G71-W86 PolarHBondContact N-O 2.88Å; G71-W86 PolarHBondContact O-N 3.09Å
72	L	90.3	Very high	89	Confident	34 Å²	34	42.1 Å²	42.1	18%	0.178	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	140.4	176.7	-61.6	174.5	0	0	0	111	Y63 H70 E85 K397 A400 A401 A404	Y63-L72 HydrophobicContact CD2-CB 4.12Å; Y63-L72 WeakPolarHBondContact CD2-O 3.48Å; Y63-L72 HydrophobicContact CE2-CB 4.34Å; Y63-L72 PolarHBondContact N-O 2.95Å; H70-L72 PolarHBondContact O-N 3.39Å; L72-E85 HydrophobicContact CD2-CG 3.84Å; L72-K397 HydrophobicContact CD2-CB 3.84Å; L72-K397 HydrophobicContact CD2-CD 4.32Å; L72-K397 HydrophobicContact CD2-CG 3.95Å; L72-A400 HydrophobicContact CD1-CB 3.63Å; L72-A401 HydrophobicContact CB-CB 4.11Å; L72-A404 HydrophobicContact CB-CB 4.13Å
73	G	91.2	Very high	88.6	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.3	165.8	175.2	0	0	0	0	0	114.4	E61 G84 W86	E61-G73 CarbonylContact O-C 3.57Å; E61-G73 VanDerWaalsContact O-CA 3.26Å; E61-G73 WeakPolarHBondContact O-CA 3.48Å; G73-G84 PolarHBondContact N-O 2.83Å; G73-G84 PolarHBondContact O-N 3.32Å; G73-W86 PolarHBondContact O-NE1 3.14Å
74	I	92.4	Very high	88.1	Confident	10 Å²	10	39.8 Å²	39.8	5%	0.051	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	132	-179.4	-59.8	-173	0	0	0	109	F60 E61 L81 Y82 K83 A401 E402 A405	F60-I74 CarbonylContact C-O 3.58Å; F60-I74 VanDerWaalsContact CA-O 3.27Å; F60-I74 WeakPolarHBondContact CA-O 3.29Å; F60-I74 WeakPolarHBondContact CD2-O 3.2Å; E61-I74 PolarHBondContact N-O 3.09Å; E61-I74 PolarHBondContact O-N 3.48Å; I74-L81 HydrophobicContact CG2-CD1 3.54Å; I74-L81 HydrophobicContact CG2-CD2 4.37Å; I74-L81 HydrophobicContact CG2-CG 3.91Å; I74-Y82 WeakPolarHBondContact CA-O 3.32Å; I74-K83 HydrophobicContact CD1-CD 4.15Å; I74-K83 HydrophobicContact CD1-CG 3.93Å; I74-K83 HydrophobicContact CG1-CG 4.01Å; I74-A401 HydrophobicContact CG1-CB 4.33Å; I74-E402 HydrophobicContact CD1-CB 4.17Å; I74-A405 HydrophobicContact CB-CB 4.3Å; I74-A405 HydrophobicContact CD1-CB 3.77Å; I74-A405 HydrophobicContact CG1-CB 3.94Å
75	E	92.3	Very high	87.6	Confident	11 Å²	11	40.8 Å²	40.8	5%	0.051	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.9	166.6	178.8	-166	-104.5	0	0	109.4	T59 F60 R69 K77 L81 Y82 W86 K91	T59-E75 WeakPolarHBondContact O-CA 3.45Å; F60-E75 HydrophobicContact CD2-CB 4.38Å; R69-E75 IonicContact CZ-OE1 3.19Å; R69-E75 IonicContact NH1-OE1 3.76Å; R69-E75 PolarHBondContact NH1-OE1 2.9Å; R69-E75 IonicContact NH2-OE1 3.27Å; E75-K77 HydrophobicContact CG-CB 4.41Å; E75-L81 WeakPolarHBondContact O-CA 3.37Å; E75-Y82 PolarHBondContact N-O 3.14Å; E75-Y82 PolarHBondContact O-N 3.27Å; E75-W86 HydrophobicContact CB-CH2 3.66Å; E75-W86 HydrophobicContact CB-CZ2 3.45Å; E75-W86 VanDerWaalsContact CB-CZ2 3.45Å; E75-W86 HydrophobicContact CG-CH2 4.22Å; E75-W86 HydrophobicContact CG-CZ2 4.49Å; E75-K91 WeakPolarHBondContact OE2-CE 3.37Å; E75-K91 IonicContact OE2-NZ 2.65Å; E75-K91 PolarHBondContact OE2-NZ 3.19Å
76	T	90.5	Very high	87.3	Confident	17 Å²	17	38.5 Å²	38.5	10%	0.104	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	108.7	170.6	-47.5	0	0	0	0	109.1	N58 T59 W80 L81	N58-T76 VanDerWaalsContact CA-O 3.29Å; N58-T76 WeakPolarHBondContact CA-O 3.43Å; N58-T76 WeakPolarHBondContact CB-O 3.39Å; T59-T76 PolarHBondContact N-O 2.85Å; T59-T76 PolarHBondContact O-N 2.84Å; T59-T76 VanDerWaalsContact OG1-CB 3.3Å; T59-T76 WeakPolarHBondContact OG1-CB 3.35Å; T59-T76 PolarHBondContact OG1-OG1 2.86Å; T76-W80 WeakPolarHBondContact CA-O 3.49Å; T76-L81 HydrophobicContact CG2-CD1 4.19Å; T76-L81 WeakPolarHBondContact OG1-CD1 3.27Å
77	K	84.6	Confident	87.1	Confident	85 Å²	85	36 Å²	36	37%	0.37	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	101.6	-178.4	-172.1	173.8	179.2	176.4	0	111	N58 E75 R79 W80	N58-K77 VanDerWaalsContact OD1-CA 3.3Å; N58-K77 WeakPolarHBondContact OD1-CA 3.29Å; E75-K77 HydrophobicContact CG-CB 4.41Å; K77-R79 PolarHBondContact O-N 3.07Å; K77-W80 PolarHBondContact N-O 2.97Å; K77-W80 WeakPolarHBondContact O-CB 3.37Å; K77-W80 PolarHBondContact O-N 2.66Å
78	G	81.4	Confident	87	Confident	29 Å²	29	39.6 Å²	39.6	30%	0.299	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	-120.1	-173.3	0	0	0	0	0	110.9	N58 W80 R437	N58-G78 PolarHBondContact OD1-N 2.93Å; G78-W80 VanDerWaalsContact C-N 3.31Å; G78-R437 PolarHBondContact O-NH2 2.77Å
79	R	74.3	Confident	86.8	Confident	76 Å²	76	36 Å²	36	29%	0.287	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	8.9	177.4	-54.1	-174.2	-178.6	-133.7	1.3	113.7	K77 S99 S100 E441 E444 N445	K77-R79 PolarHBondContact O-N 3.07Å; R79-S99 CarbonylContact O-C 3.57Å; R79-S99 WeakPolarHBondContact O-CA 3.36Å; R79-S99 PolarHBondContact O-OG 3.22Å; R79-S100 PolarHBondContact O-N 3.08Å; R79-E441 IonicContact NE-OE1 3Å; R79-E444 IonicContact CZ-OE2 3.99Å; R79-E444 IonicContact NE-OE2 3.43Å; R79-E444 IonicContact NH2-OE2 3.94Å; R79-E444 PolarHBondContact NH2-OE2 3.14Å; R79-N445 PolarHBondContact NH1-OD1 2.87Å; R79-N445 PolarHBondContact NH2-OD1 3.39Å
80	W	77.6	Confident	86.3	Confident	63 Å²	63	39.2 Å²	39.2	24%	0.239	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.7	-173.3	-55.1	109.6	0	0	0	112.7	T76 K77 G78 A104 L166	T76-W80 WeakPolarHBondContact CA-O 3.49Å; K77-W80 PolarHBondContact N-O 2.97Å; K77-W80 WeakPolarHBondContact O-CB 3.37Å; K77-W80 PolarHBondContact O-N 2.66Å; G78-W80 VanDerWaalsContact C-N 3.31Å; W80-A104 HydrophobicContact CH2-CB 4.45Å; W80-A104 HydrophobicContact CZ3-CB 4.26Å; W80-L166 HydrophobicContact CE3-CD2 4.07Å; W80-L166 HydrophobicContact CH2-CD2 3.44Å; W80-L166 VanDerWaalsContact CH2-CD2 3.44Å; W80-L166 HydrophobicContact CZ2-CD2 4.47Å; W80-L166 HydrophobicContact CZ3-CD2 3.18Å
81	L	85.1	Confident	85.8	Confident	41 Å²	41	37.8 Å²	37.8	22%	0.215	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	137.5	170.6	-157.3	76.8	0	0	0	109.9	I74 E75 T76 K83 R97 Q98	I74-L81 HydrophobicContact CG2-CD1 3.54Å; I74-L81 HydrophobicContact CG2-CD2 4.37Å; I74-L81 HydrophobicContact CG2-CG 3.91Å; E75-L81 WeakPolarHBondContact O-CA 3.37Å; T76-L81 HydrophobicContact CG2-CD1 4.19Å; T76-L81 WeakPolarHBondContact OG1-CD1 3.27Å; L81-K83 HydrophobicContact CD2-CD 4.29Å; L81-K83 HydrophobicContact CD2-CG 3.95Å; L81-K83 HydrophobicContact CG-CG 4.46Å; L81-R97 WeakPolarHBondContact O-CA 3.49Å; L81-Q98 PolarHBondContact N-O 2.95Å; L81-Q98 PolarHBondContact O-N 2.75Å; L81-Q98 VanDerWaalsContact O-N 3.13Å
82	Y	84.7	Confident	85.1	Confident	1 Å²	1	37 Å²	37	0%	0.004	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	122.5	162.6	174.9	-89.8	0	0	0	109.5	I74 E75 E85 W86 K91 G92 Y94 I96 W110	I74-Y82 WeakPolarHBondContact CA-O 3.32Å; E75-Y82 PolarHBondContact N-O 3.14Å; E75-Y82 PolarHBondContact O-N 3.27Å; Y82-E85 PolarHBondContact OH-O 3.14Å; Y82-W86 AromaticContact CD1-CE2 3.78Å; Y82-W86 HydrophobicContact CD1-CH2 4.44Å; Y82-W86 AromaticContact CD1-CZ2 3.5Å; Y82-W86 HydrophobicContact CD1-CZ2 3.5Å; Y82-W86 VanDerWaalsContact CD1-CZ2 3.5Å; Y82-W86 AromaticContact CD1-NE1 3.82Å; Y82-W86 AromaticContact CE1-CE2 3.78Å; Y82-W86 AromaticContact CE1-CZ2 3.92Å; Y82-W86 HydrophobicContact CE1-CZ2 3.92Å; Y82-W86 AromaticContact CE1-NE1 3.68Å; Y82-W86 HydrophobicContact CG-CZ2 4.46Å; Y82-K91 HydrophobicContact CD1-CD 3.96Å; Y82-K91 HydrophobicContact CD1-CG 3.99Å; Y82-K91 HydrophobicContact CD2-CD 3.74Å; Y82-K91 HydrophobicContact CD2-CG 4.42Å; Y82-K91 HydrophobicContact CE1-CB 4.07Å; Y82-K91 HydrophobicContact CE1-CD 4.1Å; Y82-K91 HydrophobicContact CE1-CG 3.74Å; Y82-K91 HydrophobicContact CE2-CB 4.15Å; Y82-K91 HydrophobicContact CE2-CD 3.88Å; Y82-K91 HydrophobicContact CE2-CG 4.19Å; Y82-K91 HydrophobicContact CG-CD 3.76Å; Y82-K91 HydrophobicContact CG-CG 4.31Å; Y82-G92 PolarHBondContact OH-N 3.38Å; Y82-Y94 PolarHBondContact OH-O 2.86Å; Y82-I96 WeakPolarHBondContact CA-O 3.28Å; Y82-W110 HydrophobicContact CD2-CZ2 4.49Å; Y82-W110 HydrophobicContact CE2-CZ2 4.4Å
83	K	86.6	Confident	84.1	Confident	46 Å²	46	43.9 Å²	43.9	20%	0.2	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	127.5	169.5	-60	-172.5	171.7	177.3	0	108.8	I74 L81 G95 I96 A398 E402	I74-K83 HydrophobicContact CD1-CD 4.15Å; I74-K83 HydrophobicContact CD1-CG 3.93Å; I74-K83 HydrophobicContact CG1-CG 4.01Å; L81-K83 HydrophobicContact CD2-CD 4.29Å; L81-K83 HydrophobicContact CD2-CG 3.95Å; L81-K83 HydrophobicContact CG-CG 4.46Å; K83-G95 WeakPolarHBondContact O-CA 3.15Å; K83-I96 PolarHBondContact N-O 2.75Å; K83-I96 VanDerWaalsContact N-O 3.13Å; K83-I96 PolarHBondContact O-N 2.94Å; K83-A398 HydrophobicContact CB-CB 3.78Å; K83-A398 HydrophobicContact CD-CB 4.23Å; K83-E402 IonicContact NZ-OE1 3.12Å; K83-E402 PolarHBondContact NZ-OE1 3.11Å; K83-E402 IonicContact NZ-OE2 3.85Å; K83-E402 PolarHBondContact NZ-OE2 3.11Å
84	G	83.9	Confident	82.9	Confident	2 Å²	2	48.3 Å²	48.3	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.8	-153.8	177.4	0	0	0	0	0	114.7	G73	G73-G84 PolarHBondContact N-O 2.83Å; G73-G84 PolarHBondContact O-N 3.32Å
85	E	85.8	Confident	81.8	Confident	49 Å²	49	48.4 Å²	48.4	23%	0.229	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	154	-178.4	-71.2	-179	108.6	0	0	113.1	G71 L72 Y82 G92 K397	G71-E85 CarbonylContact O-C 3.51Å; G71-E85 VanDerWaalsContact O-CA 3.29Å; G71-E85 WeakPolarHBondContact O-CA 3.28Å; L72-E85 HydrophobicContact CD2-CG 3.84Å; Y82-E85 PolarHBondContact OH-O 3.14Å; E85-G92 PolarHBondContact O-N 2.74Å; E85-K397 HydrophobicContact CG-CD 3.82Å; E85-K397 IonicContact OE1-NZ 2.73Å; E85-K397 PolarHBondContact OE1-NZ 2.98Å; E85-K397 WeakPolarHBondContact OE2-CD 3.34Å; E85-K397 IonicContact OE2-NZ 3.58Å; E85-K397 PolarHBondContact OE2-NZ 3.48Å
86	W	86.3	Confident	80.9	Confident	1 Å²	1	50.3 Å²	50.3	0%	0.004	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	140.5	179.1	-65.7	84.6	0	0	0	110.3	F60 R69 H70 G71 G73 E75 Y82 F90 K91	F60-W86 HydrophobicContact CD2-CZ2 4.1Å; F60-W86 AromaticContact CE2-CD1 3.75Å; F60-W86 AromaticContact CE2-CD2 3.81Å; F60-W86 HydrophobicContact CE2-CD2 3.81Å; F60-W86 AromaticContact CE2-CE2 3.58Å; F60-W86 AromaticContact CE2-CG 3.9Å; F60-W86 HydrophobicContact CE2-CG 3.9Å; F60-W86 HydrophobicContact CE2-CZ2 4.06Å; F60-W86 AromaticContact CE2-NE1 3.57Å; F60-W86 HydrophobicContact CZ-CG 4.35Å; R69-W86 HydrophobicContact CB-CB 4.41Å; R69-W86 HydrophobicContact CB-CD2 4.36Å; R69-W86 HydrophobicContact CB-CE3 4.06Å; H70-W86 CarbonylContact C-O 3.52Å; G71-W86 PolarHBondContact N-O 2.88Å; G71-W86 PolarHBondContact O-N 3.09Å; G73-W86 PolarHBondContact O-NE1 3.14Å; E75-W86 HydrophobicContact CB-CH2 3.66Å; E75-W86 HydrophobicContact CB-CZ2 3.45Å; E75-W86 VanDerWaalsContact CB-CZ2 3.45Å; E75-W86 HydrophobicContact CG-CH2 4.22Å; E75-W86 HydrophobicContact CG-CZ2 4.49Å; Y82-W86 AromaticContact CD1-CE2 3.78Å; Y82-W86 HydrophobicContact CD1-CH2 4.44Å; Y82-W86 AromaticContact CD1-CZ2 3.5Å; Y82-W86 HydrophobicContact CD1-CZ2 3.5Å; Y82-W86 VanDerWaalsContact CD1-CZ2 3.5Å; Y82-W86 AromaticContact CD1-NE1 3.82Å; Y82-W86 AromaticContact CE1-CE2 3.78Å; Y82-W86 AromaticContact CE1-CZ2 3.92Å; Y82-W86 HydrophobicContact CE1-CZ2 3.92Å; Y82-W86 AromaticContact CE1-NE1 3.68Å; Y82-W86 HydrophobicContact CG-CZ2 4.46Å; W86-F90 CarbonylContact C-O 3.58Å; W86-F90 VanDerWaalsContact CA-O 3.3Å; W86-F90 WeakPolarHBondContact CA-O 3.07Å; W86-K91 HydrophobicContact CD2-CG 4.4Å; W86-K91 HydrophobicContact CE3-CG 4Å; W86-K91 HydrophobicContact CH2-CD 4.04Å; W86-K91 HydrophobicContact CH2-CG 3.46Å; W86-K91 VanDerWaalsContact CH2-CG 3.46Å; W86-K91 HydrophobicContact CZ2-CD 4.42Å; W86-K91 HydrophobicContact CZ2-CG 3.84Å; W86-K91 HydrophobicContact CZ3-CD 4.47Å; W86-K91 HydrophobicContact CZ3-CG 3.51Å
87	T	86.6	Confident	80.3	Confident	69 Å²	69	50.1 Å²	50.1	42%	0.423	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	116.2	-176.7	-57.8	0	0	0	0	108.7	G89 F90	T87-G89 PolarHBondContact O-N 2.93Å; T87-G89 VanDerWaalsContact O-N 3.17Å; T87-F90 PolarHBondContact N-O 2.87Å; T87-F90 PolarHBondContact O-N 2.9Å
88	H	86.9	Confident	80.2	Confident	108 Å²	108	50.9 Å²	50.9	50%	0.5	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	36	-178.3	-56.8	105	0	0	0	114.4
89	G	88	Confident	80	Confident	10 Å²	10	49.8 Å²	49.8	10%	0.103	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.8	-11.1	-179.5	0	0	0	0	0	115.6	R69 T87	R69-G89 PolarHBondContact NE-O 2.85Å; R69-G89 PolarHBondContact NH2-O 3.39Å; R69-G89 WeakPolarHBondContact O-CA 3.27Å; R69-G89 PolarHBondContact O-N 2.85Å; T87-G89 PolarHBondContact O-N 2.93Å; T87-G89 VanDerWaalsContact O-N 3.17Å
90	F	83.3	Confident	79.8	Confident	86 Å²	86	49.5 Å²	49.5	38%	0.377	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	154.6	178.6	-60.3	-84.1	0	0	0	112.2	W86 T87 N172	W86-F90 CarbonylContact C-O 3.58Å; W86-F90 VanDerWaalsContact CA-O 3.3Å; W86-F90 WeakPolarHBondContact CA-O 3.07Å; T87-F90 PolarHBondContact N-O 2.87Å; T87-F90 PolarHBondContact O-N 2.9Å; F90-N172 WeakPolarHBondContact CE1-ND2 3.37Å; F90-N172 WeakPolarHBondContact CZ-ND2 3.37Å
91	K	81.4	Confident	79.3	Confident	29 Å²	29	49.5 Å²	49.5	13%	0.126	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	135.2	172.9	-69	175.5	178.5	178.8	0	110.5	E75 Y82 W86	E75-K91 WeakPolarHBondContact OE2-CE 3.37Å; E75-K91 IonicContact OE2-NZ 2.65Å; E75-K91 PolarHBondContact OE2-NZ 3.19Å; Y82-K91 HydrophobicContact CD1-CD 3.96Å; Y82-K91 HydrophobicContact CD1-CG 3.99Å; Y82-K91 HydrophobicContact CD2-CD 3.74Å; Y82-K91 HydrophobicContact CD2-CG 4.42Å; Y82-K91 HydrophobicContact CE1-CB 4.07Å; Y82-K91 HydrophobicContact CE1-CD 4.1Å; Y82-K91 HydrophobicContact CE1-CG 3.74Å; Y82-K91 HydrophobicContact CE2-CB 4.15Å; Y82-K91 HydrophobicContact CE2-CD 3.88Å; Y82-K91 HydrophobicContact CE2-CG 4.19Å; Y82-K91 HydrophobicContact CG-CD 3.76Å; Y82-K91 HydrophobicContact CG-CG 4.31Å; W86-K91 HydrophobicContact CD2-CG 4.4Å; W86-K91 HydrophobicContact CE3-CG 4Å; W86-K91 HydrophobicContact CH2-CD 4.04Å; W86-K91 HydrophobicContact CH2-CG 3.46Å; W86-K91 VanDerWaalsContact CH2-CG 3.46Å; W86-K91 HydrophobicContact CZ2-CD 4.42Å; W86-K91 HydrophobicContact CZ2-CG 3.84Å; W86-K91 HydrophobicContact CZ3-CD 4.47Å; W86-K91 HydrophobicContact CZ3-CG 3.51Å
92	G	73.5	Confident	78.7	Confident	10 Å²	10	49.2 Å²	49.2	10%	0.103	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	169.1	-179.4	0	0	0	0	0	113.4	Y82 E85 Y94	Y82-G92 PolarHBondContact OH-N 3.38Å; E85-G92 PolarHBondContact O-N 2.74Å; G92-Y94 PolarHBondContact O-N 3.13Å; G92-Y94 VanDerWaalsContact O-N 3.09Å
93	R	69.1	Low	78.1	Confident	179 Å²	179	51.8 Å²	51.8	68%	0.675	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.8	-23.1	178.3	-172.3	-177.5	-68.5	171.8	0.6	113.3
94	Y	67.1	Low	77.8	Confident	92 Å²	92	49.6 Å²	49.6	36%	0.361	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	132.8	-177.3	-44.1	-65.7	0	0	0	110	Y82 G92	Y82-Y94 PolarHBondContact OH-O 2.86Å; G92-Y94 PolarHBondContact O-N 3.13Å; G92-Y94 VanDerWaalsContact O-N 3.09Å
95	G	68.3	Low	77.9	Confident	13 Å²	13	52.9 Å²	52.9	13%	0.134	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.1	160.4	177.2	0	0	0	0	0	111	K83 W110	K83-G95 WeakPolarHBondContact O-CA 3.15Å; G95-W110 PolarHBondContact O-NE1 3.13Å
96	I	73.2	Confident	77.8	Confident	50 Å²	50	50.6 Å²	50.6	26%	0.256	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	132.2	-179.8	-54.8	175.6	0	0	0	108	Y82 K83 T391 A398	Y82-I96 WeakPolarHBondContact CA-O 3.28Å; K83-I96 PolarHBondContact N-O 2.75Å; K83-I96 VanDerWaalsContact N-O 3.13Å; K83-I96 PolarHBondContact O-N 2.94Å; I96-T391 HydrophobicContact CD1-CG2 3.85Å; I96-T391 HydrophobicContact CG1-CG2 4.31Å; I96-A398 HydrophobicContact CD1-CB 4.5Å
97	R	78.8	Confident	77.7	Confident	14 Å²	14	53.7 Å²	53.7	5%	0.053	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	126.4	164.5	178.2	171.8	54.6	154.3	-7.7	110.1	L81 K105 Y106 W110 Q115 L166 R167	L81-R97 WeakPolarHBondContact O-CA 3.49Å; R97-K105 WeakPolarHBondContact O-CA 3.46Å; R97-Y106 PolarHBondContact O-N 3.28Å; R97-W110 HydrophobicContact CB-CH2 3.64Å; R97-W110 HydrophobicContact CB-CZ2 3.8Å; R97-Q115 VanDerWaalsContact NH2-CD 3.28Å; R97-L166 VanDerWaalsContact CZ-O 3.31Å; R97-L166 PolarHBondContact NH1-O 3.46Å; R97-L166 PolarHBondContact NH2-O 3.41Å; R97-R167 PolarHBondContact NH1-O 3.23Å
98	Q	82.6	Confident	77.5	Confident	100 Å²	100	50.9 Å²	50.9	47%	0.467	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	153.9	-179.6	-167.9	176.4	-14.5	0	0	109.2	L81 A104	L81-Q98 PolarHBondContact N-O 2.95Å; L81-Q98 PolarHBondContact O-N 2.75Å; L81-Q98 VanDerWaalsContact O-N 3.13Å; Q98-A104 CarbonylContact C-O 3.43Å; Q98-A104 WeakPolarHBondContact CA-O 3.48Å
99	S	77.7	Confident	77.2	Confident	7 Å²	7	48.4 Å²	48.4	5%	0.049	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	137.2	166.1	176.4	0	0	0	0	110.3	R79 S101 S102 A104	R79-S99 CarbonylContact O-C 3.57Å; R79-S99 WeakPolarHBondContact O-CA 3.36Å; R79-S99 PolarHBondContact O-OG 3.22Å; S99-S101 VanDerWaalsContact C-N 3.27Å; S99-S101 PolarHBondContact O-N 3.39Å; S99-S101 PolarHBondContact OG-N 2.83Å; S99-S102 WeakPolarHBondContact CB-O 3.18Å; S99-S102 WeakPolarHBondContact CB-OG 3.31Å; S99-S102 PolarHBondContact OG-N 3.08Å; S99-S102 VanDerWaalsContact OG-N 3.08Å; S99-S102 PolarHBondContact OG-OG 2.85Å; S99-A104 PolarHBondContact N-O 3.02Å
100	S	68.6	Low	76.7	Confident	70 Å²	70	48.8 Å²	48.8	49%	0.49	26%	0.261	S	S	.	.	S	Bend	trans	-72.5	-23.2	175.2	-53	0	0	0	0	112.4	R79	R79-S100 PolarHBondContact O-N 3.08Å
101	S	68.8	Low	76.6	Confident	63 Å²	63	48.3 Å²	48.3	44%	0.441	26%	0.262	S	S	.	.	S	Bend	trans	-123.4	12.9	-174.2	45.3	0	0	0	0	114	S99 E441	S99-S101 VanDerWaalsContact C-N 3.27Å; S99-S101 PolarHBondContact O-N 3.39Å; S99-S101 PolarHBondContact OG-N 2.83Å; S101-E441 PolarHBondContact OG-OE1 2.58Å
102	S	72.4	Confident	76.3	Confident	35 Å²	35	52.9 Å²	52.9	25%	0.245	29%	0.288	C	S	.	.	S	Bend	trans	-158.1	167.2	174.1	67.8	0	0	0	0	114.1	S99 A104 A124	S99-S102 WeakPolarHBondContact CB-O 3.18Å; S99-S102 WeakPolarHBondContact CB-OG 3.31Å; S99-S102 PolarHBondContact OG-N 3.08Å; S99-S102 VanDerWaalsContact OG-N 3.08Å; S99-S102 PolarHBondContact OG-OG 2.85Å; S102-A104 PolarHBondContact O-N 3Å; S102-A124 WeakPolarHBondContact OG-CB 3.4Å
103	G	71.6	Confident	76.3	Confident	54 Å²	54	52.9 Å²	52.9	56%	0.557	29%	0.288	S	S	*	.	S	Bend	trans	-71.2	8.5	178.9	0	0	0	0	0	116.1	K105	G103-K105 PolarHBondContact O-N 3.2Å
104	A	81.1	Confident	76.9	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.258	C	S	.	.			trans	-73.5	126.7	-176.6	0	0	0	0	0	111.7	W80 Q98 S99 S102 T122 A124 L166	W80-A104 HydrophobicContact CH2-CB 4.45Å; W80-A104 HydrophobicContact CZ3-CB 4.26Å; Q98-A104 CarbonylContact C-O 3.43Å; Q98-A104 WeakPolarHBondContact CA-O 3.48Å; S99-A104 PolarHBondContact N-O 3.02Å; S102-A104 PolarHBondContact O-N 3Å; A104-T122 CarbonylContact C-O 3.59Å; A104-T122 VanDerWaalsContact CA-O 3.24Å; A104-T122 WeakPolarHBondContact CA-O 3.29Å; A104-A124 HydrophobicContact CB-CB 4.2Å; A104-L166 HydrophobicContact CB-CD2 3.91Å
105	K	84.4	Confident	77.6	Confident	71 Å²	71	40.4 Å²	40.4	31%	0.309	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	148.6	-176.6	59.3	157.5	-178.9	154.8	0	113.2	R97 G103 E107 T122 L166	R97-K105 WeakPolarHBondContact O-CA 3.46Å; G103-K105 PolarHBondContact O-N 3.2Å; K105-E107 HydrophobicContact CD-CG 4.43Å; K105-E107 WeakPolarHBondContact CE-OE2 3.36Å; K105-E107 IonicContact NZ-OE1 3.7Å; K105-E107 PolarHBondContact NZ-OE1 3.37Å; K105-E107 IonicContact NZ-OE2 3.28Å; K105-E107 PolarHBondContact NZ-OE2 2.97Å; K105-T122 PolarHBondContact N-O 3.2Å; K105-T122 PolarHBondContact O-N 2.87Å; K105-L166 WeakPolarHBondContact O-CD1 3.33Å
106	Y	84.6	Confident	78.6	Confident	1 Å²	1	41.5 Å²	41.5	0%	0.004	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	129.9	172.8	175.1	-105	0	0	0	111.6	R97 T109 W110 Q115 T120 F133	R97-Y106 PolarHBondContact O-N 3.28Å; Y106-T109 PolarHBondContact OH-O 3.1Å; Y106-W110 AromaticContact CD1-CE2 3.86Å; Y106-W110 HydrophobicContact CD1-CH2 4.04Å; Y106-W110 AromaticContact CD1-CZ2 3.59Å; Y106-W110 HydrophobicContact CD1-CZ2 3.59Å; Y106-W110 HydrophobicContact CE1-CD2 4.25Å; Y106-W110 AromaticContact CE1-CE2 3.93Å; Y106-W110 HydrophobicContact CE1-CZ2 4.12Å; Y106-Q115 HydrophobicContact CD1-CG 4.07Å; Y106-Q115 HydrophobicContact CD2-CG 4.27Å; Y106-Q115 HydrophobicContact CE1-CB 4.19Å; Y106-Q115 HydrophobicContact CE1-CG 3.87Å; Y106-Q115 HydrophobicContact CE2-CB 4.21Å; Y106-Q115 HydrophobicContact CE2-CG 4.06Å; Y106-Q115 HydrophobicContact CG-CG 4.25Å; Y106-T120 WeakPolarHBondContact CA-O 3.2Å; Y106-T120 WeakPolarHBondContact CD2-O 3.36Å; Y106-F133 HydrophobicContact CD2-CZ 4.31Å; Y106-F133 HydrophobicContact CE2-CD2 4.08Å; Y106-F133 HydrophobicContact CE2-CE1 4.27Å; Y106-F133 AromaticContact CE2-CE2 3.77Å; Y106-F133 HydrophobicContact CE2-CE2 3.77Å; Y106-F133 HydrophobicContact CE2-CG 4.47Å; Y106-F133 AromaticContact CE2-CZ 3.86Å; Y106-F133 HydrophobicContact CE2-CZ 3.86Å
107	E	83.5	Confident	79.4	Confident	66 Å²	66	40.4 Å²	40.4	31%	0.308	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	102.7	-179.2	-68.8	161.5	151.7	0	0	108.7	K105 G119 T120 A384	K105-E107 HydrophobicContact CD-CG 4.43Å; K105-E107 WeakPolarHBondContact CE-OE2 3.36Å; K105-E107 IonicContact NZ-OE1 3.7Å; K105-E107 PolarHBondContact NZ-OE1 3.37Å; K105-E107 IonicContact NZ-OE2 3.28Å; K105-E107 PolarHBondContact NZ-OE2 2.97Å; E107-G119 CarbonylContact O-C 3.47Å; E107-G119 WeakPolarHBondContact O-CA 3.2Å; E107-T120 PolarHBondContact N-O 3.15Å; E107-T120 PolarHBondContact O-N 3.46Å; E107-A384 HydrophobicContact CB-CB 4.06Å
108	G	81.9	Confident	80	Confident	11 Å²	11	42.8 Å²	42.8	11%	0.113	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.3	-167.7	-174.5	0	0	0	0	0	112.8	Y118	G108-Y118 WeakPolarHBondContact CA-O 3.5Å
109	T	81.6	Confident	80.3	Confident	56 Å²	56	38 Å²	38	34%	0.344	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	151.1	177.9	41.8	0	0	0	0	112.8	Y106 D116 Y118	Y106-T109 PolarHBondContact OH-O 3.1Å; T109-D116 CarbonylContact C-O 3.57Å; T109-D116 VanDerWaalsContact CB-O 3.29Å; T109-D116 WeakPolarHBondContact CB-O 3.37Å; T109-D116 PolarHBondContact O-N 3.26Å; T109-D116 VanDerWaalsContact O-O 3.14Å; T109-D116 PolarHBondContact OG1-O 3.42Å; T109-Y118 PolarHBondContact N-O 2.99Å; T109-Y118 PolarHBondContact OG1-N 3.05Å; T109-Y118 VanDerWaalsContact OG1-N 3.09Å; T109-Y118 PolarHBondContact OG1-O 2.96Å
110	W	77.9	Confident	80.9	Confident	17 Å²	17	38.3 Å²	38.3	6%	0.064	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	142.7	178.6	-62.5	94.3	0	0	0	110.9	Y82 G95 R97 Y106 L114 Q115	Y82-W110 HydrophobicContact CD2-CZ2 4.49Å; Y82-W110 HydrophobicContact CE2-CZ2 4.4Å; G95-W110 PolarHBondContact O-NE1 3.13Å; R97-W110 HydrophobicContact CB-CH2 3.64Å; R97-W110 HydrophobicContact CB-CZ2 3.8Å; Y106-W110 AromaticContact CD1-CE2 3.86Å; Y106-W110 HydrophobicContact CD1-CH2 4.04Å; Y106-W110 AromaticContact CD1-CZ2 3.59Å; Y106-W110 HydrophobicContact CD1-CZ2 3.59Å; Y106-W110 HydrophobicContact CE1-CD2 4.25Å; Y106-W110 AromaticContact CE1-CE2 3.93Å; Y106-W110 HydrophobicContact CE1-CZ2 4.12Å; W110-L114 WeakPolarHBondContact CA-O 3.3Å; W110-Q115 HydrophobicContact CZ3-CG 4.38Å
111	N	80.6	Confident	81.8	Confident	77 Å²	77	35 Å²	35	41%	0.412	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	125.7	174.9	-170.9	7.7	0	0	0	108.9	G113 L114 D116	N111-G113 PolarHBondContact O-N 3.23Å; N111-L114 PolarHBondContact N-O 2.75Å; N111-L114 WeakPolarHBondContact O-CB 3.26Å; N111-L114 PolarHBondContact O-N 2.67Å; N111-D116 HydrophobicContact CB-CB 3.46Å; N111-D116 VanDerWaalsContact CB-CB 3.46Å; N111-D116 WeakPolarHBondContact CB-OD1 3.47Å; N111-D116 PolarHBondContact ND2-OD1 3.41Å
112	N	76.1	Confident	82.7	Confident	124 Å²	124	33.1 Å²	33.1	66%	0.663	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.5	32.7	-175.2	-61.3	-22.9	0	0	0	114.8	L114	N112-L114 VanDerWaalsContact C-N 3.31Å; N112-L114 PolarHBondContact O-N 3.16Å
113	G	72.1	Confident	83.2	Confident	10 Å²	10	31.8 Å²	31.8	10%	0.103	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	3.5	-176.5	0	0	0	0	0	116.3	N111	N111-G113 PolarHBondContact O-N 3.23Å
114	L	81.3	Confident	83.3	Confident	9 Å²	9	31.2 Å²	31.2	5%	0.047	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	158.5	174	-51.1	-178	0	0	0	111.9	W110 N111 N112 D116 N135 S168	W110-L114 WeakPolarHBondContact CA-O 3.3Å; N111-L114 PolarHBondContact N-O 2.75Å; N111-L114 WeakPolarHBondContact O-CB 3.26Å; N111-L114 PolarHBondContact O-N 2.67Å; N112-L114 VanDerWaalsContact C-N 3.31Å; N112-L114 PolarHBondContact O-N 3.16Å; L114-D116 PolarHBondContact O-N 3.09Å; L114-N135 HydrophobicContact CD1-CB 4.34Å; L114-S168 WeakPolarHBondContact CA-OG 3.42Å; L114-S168 WeakPolarHBondContact CD2-O 3.36Å
115	Q	83.4	Confident	82.9	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	124.2	167.6	-53.2	172.7	-60.6	0	0	109.3	R97 Y106 W110 F133 G136 L166 S168	R97-Q115 VanDerWaalsContact NH2-CD 3.28Å; Y106-Q115 HydrophobicContact CD1-CG 4.07Å; Y106-Q115 HydrophobicContact CD2-CG 4.27Å; Y106-Q115 HydrophobicContact CE1-CB 4.19Å; Y106-Q115 HydrophobicContact CE1-CG 3.87Å; Y106-Q115 HydrophobicContact CE2-CB 4.21Å; Y106-Q115 HydrophobicContact CE2-CG 4.06Å; Y106-Q115 HydrophobicContact CG-CG 4.25Å; W110-Q115 HydrophobicContact CZ3-CG 4.38Å; Q115-F133 HydrophobicContact CB-CB 4.19Å; Q115-F133 HydrophobicContact CB-CD1 3.7Å; Q115-F133 HydrophobicContact CB-CE1 4.34Å; Q115-F133 HydrophobicContact CB-CG 4.09Å; Q115-F133 HydrophobicContact CG-CD1 4.45Å; Q115-G136 WeakPolarHBondContact O-CA 3.43Å; Q115-G136 PolarHBondContact O-N 2.8Å; Q115-G136 PolarHBondContact OE1-O 2.85Å; Q115-G136 VanDerWaalsContact OE1-O 3.14Å; Q115-L166 VanDerWaalsContact CD-O 3.26Å; Q115-L166 PolarHBondContact NE2-O 3.36Å; Q115-L166 PolarHBondContact OE1-O 3.06Å; Q115-S168 PolarHBondContact N-OG 3.01Å
116	D	88.1	Confident	82.5	Confident	36 Å²	36	31.4 Å²	31.4	19%	0.193	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	143.1	-173.7	-161.5	-127	0	0	0	110.3	T109 N111 L114 T134 N135	T109-D116 CarbonylContact C-O 3.57Å; T109-D116 VanDerWaalsContact CB-O 3.29Å; T109-D116 WeakPolarHBondContact CB-O 3.37Å; T109-D116 PolarHBondContact O-N 3.26Å; T109-D116 VanDerWaalsContact O-O 3.14Å; T109-D116 PolarHBondContact OG1-O 3.42Å; N111-D116 HydrophobicContact CB-CB 3.46Å; N111-D116 VanDerWaalsContact CB-CB 3.46Å; N111-D116 WeakPolarHBondContact CB-OD1 3.47Å; N111-D116 PolarHBondContact ND2-OD1 3.41Å; L114-D116 PolarHBondContact O-N 3.09Å; D116-T134 WeakPolarHBondContact OD2-CA 3.37Å; D116-N135 PolarHBondContact OD2-N 3.13Å
117	G	90.2	Very high	82.5	Confident	27 Å²	27	31.5 Å²	31.5	28%	0.278	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	87.7	-110.6	-176.1	0	0	0	0	0	112.6	Q132 F133	G117-Q132 CarbonylContact O-C 3.48Å; G117-Q132 VanDerWaalsContact O-CA 3.29Å; G117-Q132 WeakPolarHBondContact O-CA 3.48Å; G117-F133 PolarHBondContact N-O 2.97Å; G117-F133 PolarHBondContact O-N 2.86Å
118	Y	91.1	Very high	82.9	Confident	65 Å²	65	29.7 Å²	29.7	26%	0.255	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	141.7	-177.1	-66.3	-97	0	0	0	111.5	G108 T109 G131 Q132 A376 I379	G108-Y118 WeakPolarHBondContact CA-O 3.5Å; T109-Y118 PolarHBondContact N-O 2.99Å; T109-Y118 PolarHBondContact OG1-N 3.05Å; T109-Y118 VanDerWaalsContact OG1-N 3.09Å; T109-Y118 PolarHBondContact OG1-O 2.96Å; Y118-G131 WeakPolarHBondContact CA-O 3.46Å; Y118-Q132 HydrophobicContact CD1-CG 3.75Å; Y118-Q132 HydrophobicContact CE1-CG 3.4Å; Y118-Q132 HydrophobicContact CG-CG 4.47Å; Y118-Q132 PolarHBondContact OH-NE2 3.43Å; Y118-A376 HydrophobicContact CE1-CB 4.25Å; Y118-I379 HydrophobicContact CD1-CB 4Å; Y118-I379 HydrophobicContact CD1-CG2 3.55Å; Y118-I379 HydrophobicContact CD2-CG2 4.02Å; Y118-I379 HydrophobicContact CE1-CB 4Å; Y118-I379 HydrophobicContact CE1-CD1 4.3Å; Y118-I379 HydrophobicContact CE1-CG2 3.67Å; Y118-I379 HydrophobicContact CE2-CG2 4.15Å; Y118-I379 HydrophobicContact CG-CG2 3.73Å
119	G	89.2	Confident	83.4	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171	172.7	177.2	0	0	0	0	0	115.3	E107 G131 A380	E107-G119 CarbonylContact O-C 3.47Å; E107-G119 WeakPolarHBondContact O-CA 3.2Å; G119-G131 PolarHBondContact N-O 3.4Å; G119-G131 PolarHBondContact O-N 2.73Å; G119-A380 WeakPolarHBondContact O-CB 3.3Å
120	T	90.1	Very high	84	Confident	13 Å²	13	28.4 Å²	28.4	8%	0.08	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124.8	173.5	-58.7	0	0	0	0	109.3	Y106 E107 Y129 Q130	Y106-T120 WeakPolarHBondContact CA-O 3.2Å; Y106-T120 WeakPolarHBondContact CD2-O 3.36Å; E107-T120 PolarHBondContact N-O 3.15Å; E107-T120 PolarHBondContact O-N 3.46Å; T120-Y129 CarbonylContact C-O 3.55Å; T120-Y129 VanDerWaalsContact CA-O 3.31Å; T120-Y129 WeakPolarHBondContact CA-O 3.27Å; T120-Q130 HydrophobicContact CG2-CG 4.01Å
121	E	87.8	Confident	84.9	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	114.2	172.6	163.4	175.9	-124.8	0	0	107.8	Y123 T128 Y129 F133 R138 L166 R197	E121-Y123 HydrophobicContact CG-CD1 4.02Å; E121-Y123 HydrophobicContact CG-CE1 3.59Å; E121-Y123 WeakPolarHBondContact OE2-CE1 3.3Å; E121-Y123 PolarHBondContact OE2-OH 3.33Å; E121-Y123 VanDerWaalsContact OE2-OH 3.13Å; E121-T128 CarbonylContact O-C 3.57Å; E121-T128 VanDerWaalsContact O-CA 3.31Å; E121-T128 WeakPolarHBondContact O-CA 3.34Å; E121-Y129 PolarHBondContact N-O 3.11Å; E121-Y129 PolarHBondContact O-N 3.19Å; E121-F133 HydrophobicContact CB-CZ 3.88Å; E121-R138 IonicContact OE2-CZ 2.67Å; E121-R138 IonicContact OE2-NH1 2.75Å; E121-R138 PolarHBondContact OE2-NH1 3.22Å; E121-L166 HydrophobicContact CB-CD1 4.47Å; E121-L166 HydrophobicContact CG-CB 4.34Å; E121-L166 HydrophobicContact CG-CD1 3.99Å; E121-L166 HydrophobicContact CG-CG 4.21Å; E121-L166 WeakPolarHBondContact OE1-CB 3.26Å; E121-L166 PolarHBondContact OE1-N 2.9Å; E121-R197 IonicContact OE1-CZ 3.48Å; E121-R197 IonicContact OE1-NH1 3.2Å; E121-R197 PolarHBondContact OE1-NH1 3.28Å; E121-R197 IonicContact OE2-NH1 3.76Å
122	T	87.6	Confident	85.5	Confident	23 Å²	23	26 Å²	26	14%	0.141	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	125.7	167.2	-51.9	0	0	0	0	108.3	A104 K105 G127 T128	A104-T122 CarbonylContact C-O 3.59Å; A104-T122 VanDerWaalsContact CA-O 3.24Å; A104-T122 WeakPolarHBondContact CA-O 3.29Å; K105-T122 PolarHBondContact N-O 3.2Å; K105-T122 PolarHBondContact O-N 2.87Å; T122-G127 WeakPolarHBondContact CA-O 3.46Å; T122-T128 HydrophobicContact CG2-CG2 4.48Å
123	Y	82.4	Confident	86.3	Confident	8 Å²	8	20.1 Å²	20.1	3%	0.031	13%	0.129	C	C	.	.			trans	-87	164.4	176	-45.8	-80.7	0	0	0	110.9	E121 D125 G126 G127 Y129 R138 R144	E121-Y123 HydrophobicContact CG-CD1 4.02Å; E121-Y123 HydrophobicContact CG-CE1 3.59Å; E121-Y123 WeakPolarHBondContact OE2-CE1 3.3Å; E121-Y123 PolarHBondContact OE2-OH 3.33Å; E121-Y123 VanDerWaalsContact OE2-OH 3.13Å; Y123-D125 WeakPolarHBondContact CB-OD1 3.42Å; Y123-D125 PolarHBondContact O-N 3.35Å; Y123-G126 PolarHBondContact O-N 2.88Å; Y123-G127 VanDerWaalsContact CD2-C 3.47Å; Y123-G127 VanDerWaalsContact CD2-O 3.25Å; Y123-G127 WeakPolarHBondContact CD2-O 3.49Å; Y123-G127 PolarHBondContact N-O 3.1Å; Y123-Y129 WeakPolarHBondContact OH-CB 3.3Å; Y123-R138 PolarHBondContact OH-NH1 2.86Å; Y123-R144 HydrophobicContact CE2-CG 4.31Å; Y123-R144 VanDerWaalsContact CE2-NE 3.26Å; Y123-R144 VanDerWaalsContact CE2-NH2 3.27Å; Y123-R144 PolarHBondContact OH-NE 2.95Å
124	A	74.7	Confident	87.2	Confident	42 Å²	42	22.4 Å²	22.4	35%	0.347	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-18.8	178.8	0	0	0	0	0	114.9	S102 A104 S164	S102-A124 WeakPolarHBondContact OG-CB 3.4Å; A104-A124 HydrophobicContact CB-CB 4.2Å; A124-S164 WeakPolarHBondContact CB-OG 3.32Å
125	D	71.6	Confident	87.5	Confident	27 Å²	27	26.9 Å²	26.9	14%	0.144	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-17.7	173.2	67.2	-3.6	0	0	0	112.2	Y123 G127 V147 V155	Y123-D125 WeakPolarHBondContact CB-OD1 3.42Å; Y123-D125 PolarHBondContact O-N 3.35Å; D125-G127 PolarHBondContact OD1-N 3.02Å; D125-V147 HydrophobicContact CB-CG1 4.48Å; D125-V147 HydrophobicContact CB-CG2 4Å; D125-V147 WeakPolarHBondContact O-CG1 3.34Å; D125-V155 HydrophobicContact CB-CG2 4.14Å
126	G	76.6	Confident	87.6	Confident	48 Å²	48	26.9 Å²	26.9	50%	0.495	17%	0.165	S	C	.	.	S	Bend	trans	104.2	-6	-174.2	0	0	0	0	0	114.3	Y123	Y123-G126 PolarHBondContact O-N 2.88Å
127	G	85.8	Confident	87.5	Confident	3 Å²	3	27 Å²	27	3%	0.031	17%	0.165	C	C	.	.			trans	-70.5	164.5	178.3	0	0	0	0	0	112	T122 Y123 D125 Q145 V147	T122-G127 WeakPolarHBondContact CA-O 3.46Å; Y123-G127 VanDerWaalsContact CD2-C 3.47Å; Y123-G127 VanDerWaalsContact CD2-O 3.25Å; Y123-G127 WeakPolarHBondContact CD2-O 3.49Å; Y123-G127 PolarHBondContact N-O 3.1Å; D125-G127 PolarHBondContact OD1-N 3.02Å; G127-Q145 WeakPolarHBondContact CA-O 3.38Å; G127-V147 VanDerWaalsContact N-CG1 3.25Å
128	T	91.1	Very high	87.6	Confident	28 Å²	28	25.8 Å²	25.8	17%	0.172	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	148.8	-178.8	67.6	0	0	0	0	113.2	E121 T122 R144 Q145	E121-T128 CarbonylContact O-C 3.57Å; E121-T128 VanDerWaalsContact O-CA 3.31Å; E121-T128 WeakPolarHBondContact O-CA 3.34Å; T122-T128 HydrophobicContact CG2-CG2 4.48Å; T128-R144 CarbonylContact O-C 3.58Å; T128-R144 VanDerWaalsContact O-CA 3.27Å; T128-R144 WeakPolarHBondContact O-CA 3.27Å; T128-R144 WeakPolarHBondContact O-CG 3.42Å; T128-Q145 PolarHBondContact N-O 3.42Å; T128-Q145 PolarHBondContact O-N 3.1Å
129	Y	92.4	Very high	87.8	Confident	0 Å²	0	26 Å²	26	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	138.1	159.4	172.4	-102.1	0	0	0	109.7	T120 E121 Y123 Q132 F133 R138 V143 R144 W295	T120-Y129 CarbonylContact C-O 3.55Å; T120-Y129 VanDerWaalsContact CA-O 3.31Å; T120-Y129 WeakPolarHBondContact CA-O 3.27Å; E121-Y129 PolarHBondContact N-O 3.11Å; E121-Y129 PolarHBondContact O-N 3.19Å; Y123-Y129 WeakPolarHBondContact OH-CB 3.3Å; Y129-Q132 PolarHBondContact OH-N 2.98Å; Y129-Q132 PolarHBondContact OH-O 2.93Å; Y129-Q132 VanDerWaalsContact OH-O 3.06Å; Y129-F133 AromaticContact CD1-CE2 3.64Å; Y129-F133 HydrophobicContact CD1-CE2 3.64Å; Y129-F133 AromaticContact CD1-CZ 3.56Å; Y129-F133 HydrophobicContact CD1-CZ 3.56Å; Y129-F133 HydrophobicContact CE1-CD2 4.15Å; Y129-F133 AromaticContact CE1-CE2 3.53Å; Y129-F133 HydrophobicContact CE1-CE2 3.53Å; Y129-F133 AromaticContact CE1-CZ 3.77Å; Y129-F133 HydrophobicContact CE1-CZ 3.77Å; Y129-R138 VanDerWaalsContact CD1-CD 3.48Å; Y129-R138 HydrophobicContact CD1-CG 3.71Å; Y129-R138 HydrophobicContact CD2-CG 4.5Å; Y129-R138 HydrophobicContact CE1-CB 3.98Å; Y129-R138 HydrophobicContact CE1-CG 3.56Å; Y129-R138 HydrophobicContact CE2-CB 4.45Å; Y129-R138 HydrophobicContact CE2-CG 4.37Å; Y129-R138 VanDerWaalsContact CG-CD 3.4Å; Y129-R138 HydrophobicContact CG-CG 4.17Å; Y129-V143 CarbonylContact C-O 3.56Å; Y129-V143 WeakPolarHBondContact CA-O 3.35Å; Y129-V143 VanDerWaalsContact CD2-O 3.24Å; Y129-V143 WeakPolarHBondContact CD2-O 3.38Å; Y129-R144 HydrophobicContact CD2-CB 4.09Å; Y129-W295 HydrophobicContact CD2-CZ2 4.17Å; Y129-W295 AromaticContact CE2-CD1 3.91Å; Y129-W295 HydrophobicContact CE2-CD2 4.06Å; Y129-W295 AromaticContact CE2-CE2 3.67Å; Y129-W295 HydrophobicContact CE2-CG 4.2Å; Y129-W295 HydrophobicContact CE2-CZ2 4.15Å; Y129-W295 AromaticContact CE2-NE1 3.57Å
130	Q	94.9	Very high	88.1	Confident	39 Å²	39	26.9 Å²	26.9	18%	0.182	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	111.8	178	-64.1	168.7	27.7	0	0	107.8	T120 G142 V143 A377 A380 R381	T120-Q130 HydrophobicContact CG2-CG 4.01Å; Q130-G142 WeakPolarHBondContact O-CA 3.4Å; Q130-V143 PolarHBondContact N-O 2.89Å; Q130-V143 PolarHBondContact O-N 3.48Å; Q130-A377 HydrophobicContact CB-CB 3.82Å; Q130-A380 HydrophobicContact CB-CB 4.32Å; Q130-R381 HydrophobicContact CG-CG 4.47Å
131	G	94.9	Very high	88.5	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.4	-152.5	-176.7	0	0	0	0	0	114.2	Y118 G119 Y141 A380	Y118-G131 WeakPolarHBondContact CA-O 3.46Å; G119-G131 PolarHBondContact N-O 3.4Å; G119-G131 PolarHBondContact O-N 2.73Å; G131-Y141 WeakPolarHBondContact CA-O 3.47Å; G131-A380 VanDerWaalsContact N-CB 3.31Å
132	Q	95	Very high	88.9	Confident	43 Å²	43	29.6 Å²	29.6	20%	0.201	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	144.3	-175.1	-75.7	170.2	-16	0	0	112.8	G117 Y118 Y129 H139 Y141 A376	G117-Q132 CarbonylContact O-C 3.48Å; G117-Q132 VanDerWaalsContact O-CA 3.29Å; G117-Q132 WeakPolarHBondContact O-CA 3.48Å; Y118-Q132 HydrophobicContact CD1-CG 3.75Å; Y118-Q132 HydrophobicContact CE1-CG 3.4Å; Y118-Q132 HydrophobicContact CG-CG 4.47Å; Y118-Q132 PolarHBondContact OH-NE2 3.43Å; Y129-Q132 PolarHBondContact OH-N 2.98Å; Y129-Q132 PolarHBondContact OH-O 2.93Å; Y129-Q132 VanDerWaalsContact OH-O 3.06Å; Q132-H139 CarbonylContact C-O 3.58Å; Q132-H139 WeakPolarHBondContact CB-O 3.43Å; Q132-H139 PolarHBondContact O-N 2.94Å; Q132-H139 VanDerWaalsContact O-N 3.16Å; Q132-H139 VanDerWaalsContact O-O 3.07Å; Q132-Y141 PolarHBondContact N-O 2.67Å; Q132-A376 HydrophobicContact CG-CB 4.37Å
133	F	91.8	Very high	89.3	Confident	2 Å²	2	29.3 Å²	29.3	1%	0.009	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	147.6	177.6	-75.7	-97.2	0	0	0	110.4	Y106 Q115 G117 E121 Y129 M137 R138	Y106-F133 HydrophobicContact CD2-CZ 4.31Å; Y106-F133 HydrophobicContact CE2-CD2 4.08Å; Y106-F133 HydrophobicContact CE2-CE1 4.27Å; Y106-F133 AromaticContact CE2-CE2 3.77Å; Y106-F133 HydrophobicContact CE2-CE2 3.77Å; Y106-F133 HydrophobicContact CE2-CG 4.47Å; Y106-F133 AromaticContact CE2-CZ 3.86Å; Y106-F133 HydrophobicContact CE2-CZ 3.86Å; Q115-F133 HydrophobicContact CB-CB 4.19Å; Q115-F133 HydrophobicContact CB-CD1 3.7Å; Q115-F133 HydrophobicContact CB-CE1 4.34Å; Q115-F133 HydrophobicContact CB-CG 4.09Å; Q115-F133 HydrophobicContact CG-CD1 4.45Å; G117-F133 PolarHBondContact N-O 2.97Å; G117-F133 PolarHBondContact O-N 2.86Å; E121-F133 HydrophobicContact CB-CZ 3.88Å; Y129-F133 AromaticContact CD1-CE2 3.64Å; Y129-F133 HydrophobicContact CD1-CE2 3.64Å; Y129-F133 AromaticContact CD1-CZ 3.56Å; Y129-F133 HydrophobicContact CD1-CZ 3.56Å; Y129-F133 HydrophobicContact CE1-CD2 4.15Å; Y129-F133 AromaticContact CE1-CE2 3.53Å; Y129-F133 HydrophobicContact CE1-CE2 3.53Å; Y129-F133 AromaticContact CE1-CZ 3.77Å; Y129-F133 HydrophobicContact CE1-CZ 3.77Å; F133-M137 CarbonylContact C-O 3.56Å; F133-M137 VanDerWaalsContact CA-O 3.29Å; F133-M137 WeakPolarHBondContact CA-O 3.47Å; F133-R138 HydrophobicContact CE1-CG 3.98Å; F133-R138 HydrophobicContact CZ-CG 4.23Å
134	T	91.8	Very high	89.8	Confident	57 Å²	57	29.3 Å²	29.3	35%	0.35	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	127.8	173.4	-52.6	0	0	0	0	109.5	D116 G136 M137	D116-T134 WeakPolarHBondContact OD2-CA 3.37Å; T134-G136 PolarHBondContact O-N 3.15Å; T134-G136 VanDerWaalsContact O-N 3.16Å; T134-M137 PolarHBondContact N-O 2.62Å; T134-M137 PolarHBondContact O-N 3.04Å
135	N	86.6	Confident	90.6	Very high	104 Å²	104	31.7 Å²	31.7	56%	0.556	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.6	43	179.5	-64.8	-27.6	0	0	0	113.5	L114 D116 M137	L114-N135 HydrophobicContact CD1-CB 4.34Å; D116-N135 PolarHBondContact OD2-N 3.13Å; N135-M137 VanDerWaalsContact C-N 3.34Å; N135-M137 PolarHBondContact O-N 2.98Å
136	G	85.4	Confident	91.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	-1.1	178.7	0	0	0	0	0	116.1	Q115 T134 S168 R197	Q115-G136 WeakPolarHBondContact O-CA 3.43Å; Q115-G136 PolarHBondContact O-N 2.8Å; Q115-G136 PolarHBondContact OE1-O 2.85Å; Q115-G136 VanDerWaalsContact OE1-O 3.14Å; T134-G136 PolarHBondContact O-N 3.15Å; T134-G136 VanDerWaalsContact O-N 3.16Å; G136-S168 WeakPolarHBondContact CA-OG 3.49Å; G136-R197 PolarHBondContact O-NH2 2.8Å
137	M	87.3	Confident	91.6	Very high	38 Å²	38	29.4 Å²	29.4	19%	0.187	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	152.1	-178.1	-63.3	178.8	-71.3	0	0	112.2	F133 T134 N135 H139 R167 N297 D298	F133-M137 CarbonylContact C-O 3.56Å; F133-M137 VanDerWaalsContact CA-O 3.29Å; F133-M137 WeakPolarHBondContact CA-O 3.47Å; T134-M137 PolarHBondContact N-O 2.62Å; T134-M137 PolarHBondContact O-N 3.04Å; N135-M137 VanDerWaalsContact C-N 3.34Å; N135-M137 PolarHBondContact O-N 2.98Å; M137-H139 PolarHBondContact O-N 3.1Å; M137-R167 PolarHBondContact SD-NH1 3.27Å; M137-R167 VanDerWaalsContact SD-NH1 3.44Å; M137-N297 HydrophobicContact CE-CB 4.45Å; M137-N297 HydrophobicContact SD-CB 3.95Å; M137-D298 WeakPolarHBondContact CA-OD1 3.38Å
138	R	91.9	Very high	91.5	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.008	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	129.8	167.8	-55.3	-177.8	-69.6	-99.9	2.2	109.7	E121 Y123 Y129 F133 R197 W295 N297 D298	E121-R138 IonicContact OE2-CZ 2.67Å; E121-R138 IonicContact OE2-NH1 2.75Å; E121-R138 PolarHBondContact OE2-NH1 3.22Å; Y123-R138 PolarHBondContact OH-NH1 2.86Å; Y129-R138 VanDerWaalsContact CD1-CD 3.48Å; Y129-R138 HydrophobicContact CD1-CG 3.71Å; Y129-R138 HydrophobicContact CD2-CG 4.5Å; Y129-R138 HydrophobicContact CE1-CB 3.98Å; Y129-R138 HydrophobicContact CE1-CG 3.56Å; Y129-R138 HydrophobicContact CE2-CB 4.45Å; Y129-R138 HydrophobicContact CE2-CG 4.37Å; Y129-R138 VanDerWaalsContact CG-CD 3.4Å; Y129-R138 HydrophobicContact CG-CG 4.17Å; F133-R138 HydrophobicContact CE1-CG 3.98Å; F133-R138 HydrophobicContact CZ-CG 4.23Å; R138-R197 PolarHBondContact NH2-O 3.06Å; R138-W295 HydrophobicContact CB-CE3 4.39Å; R138-N297 PolarHBondContact O-N 2.8Å; R138-D298 IonicContact CZ-OD1 3.78Å; R138-D298 PolarHBondContact N-OD1 3.36Å; R138-D298 IonicContact NE-OD1 2.69Å; R138-D298 PolarHBondContact NH2-O 3.32Å; R138-D298 PolarHBondContact O-N 2.67Å
139	H	94.1	Very high	90.8	Very high	68 Å²	68	33 Å²	33	32%	0.315	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	153.7	-174.7	-160.5	103	0	0	0	109.5	Q132 M137 W295 N297	Q132-H139 CarbonylContact C-O 3.58Å; Q132-H139 WeakPolarHBondContact CB-O 3.43Å; Q132-H139 PolarHBondContact O-N 2.94Å; Q132-H139 VanDerWaalsContact O-N 3.16Å; Q132-H139 VanDerWaalsContact O-O 3.07Å; M137-H139 PolarHBondContact O-N 3.1Å; H139-W295 CarbonylContact C-O 3.58Å; H139-W295 WeakPolarHBondContact CA-O 3.38Å; H139-N297 PolarHBondContact ND1-OD1 3.19Å
140	G	96.6	Very high	89.6	Confident	20 Å²	20	34.1 Å²	34.1	21%	0.206	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	72.6	-136.1	179.8	0	0	0	0	0	111.6	E294 W295	G140-E294 CarbonylContact O-C 3.53Å; G140-E294 WeakPolarHBondContact O-CA 3.39Å; G140-W295 PolarHBondContact N-O 3.19Å; G140-W295 PolarHBondContact O-N 2.78Å
141	Y	97.9	Very high	88.4	Confident	69 Å²	69	37.2 Å²	37.2	27%	0.271	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	140.8	-174.4	-62.1	-77.8	0	0	0	112.8	G131 Q132 E294 A376	G131-Y141 WeakPolarHBondContact CA-O 3.47Å; Q132-Y141 PolarHBondContact N-O 2.67Å; Y141-E294 HydrophobicContact CD1-CG 3.93Å; Y141-E294 HydrophobicContact CE1-CG 3.59Å; Y141-A376 VanDerWaalsContact O-CB 3.3Å; Y141-A376 WeakPolarHBondContact O-CB 3.44Å
142	G	96.7	Very high	86.8	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.1	161.5	171.6	0	0	0	0	0	115.6	Q130 G293 W295	Q130-G142 WeakPolarHBondContact O-CA 3.4Å; G142-G293 PolarHBondContact N-O 3.32Å; G142-G293 PolarHBondContact O-N 2.63Å; G142-W295 PolarHBondContact O-NE1 3.27Å
143	V	96.5	Very high	84.8	Confident	18 Å²	18	38.8 Å²	38.8	11%	0.109	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	137	176.9	177.9	0	0	0	0	109.2	Y129 Q130 T290 Y291 M292 A373 A377	Y129-V143 CarbonylContact C-O 3.56Å; Y129-V143 WeakPolarHBondContact CA-O 3.35Å; Y129-V143 VanDerWaalsContact CD2-O 3.24Å; Y129-V143 WeakPolarHBondContact CD2-O 3.38Å; Q130-V143 PolarHBondContact N-O 2.89Å; Q130-V143 PolarHBondContact O-N 3.48Å; V143-T290 HydrophobicContact CG1-CG2 4.05Å; V143-Y291 CarbonylContact C-O 3.46Å; V143-Y291 VanDerWaalsContact CA-O 3.27Å; V143-Y291 WeakPolarHBondContact CA-O 3.44Å; V143-M292 HydrophobicContact CG1-CE 4.14Å; V143-M292 HydrophobicContact CG1-CG 4.23Å; V143-M292 HydrophobicContact CG2-CB 4.3Å; V143-M292 HydrophobicContact CG2-CE 3.62Å; V143-M292 HydrophobicContact CG2-CG 4.08Å; V143-A373 HydrophobicContact CG2-CB 4.09Å; V143-A377 HydrophobicContact CB-CB 3.97Å; V143-A377 HydrophobicContact CG2-CB 3.7Å
144	R	93.2	Very high	82.8	Confident	7 Å²	7	43.9 Å²	43.9	3%	0.026	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	132.4	168.8	-164.3	-171.2	171.6	-72.1	-6.3	110.8	Y123 T128 Y129 F200 T290 Y291 W295	Y123-R144 HydrophobicContact CE2-CG 4.31Å; Y123-R144 VanDerWaalsContact CE2-NE 3.26Å; Y123-R144 VanDerWaalsContact CE2-NH2 3.27Å; Y123-R144 PolarHBondContact OH-NE 2.95Å; T128-R144 CarbonylContact O-C 3.58Å; T128-R144 VanDerWaalsContact O-CA 3.27Å; T128-R144 WeakPolarHBondContact O-CA 3.27Å; T128-R144 WeakPolarHBondContact O-CG 3.42Å; Y129-R144 HydrophobicContact CD2-CB 4.09Å; R144-F200 HydrophobicContact CB-CZ 4.49Å; R144-F200 VanDerWaalsContact CD-CE2 3.43Å; R144-F200 HydrophobicContact CG-CE2 4.4Å; R144-F200 HydrophobicContact CG-CZ 4.39Å; R144-F200 VanDerWaalsContact NH1-CD2 3.25Å; R144-F200 VanDerWaalsContact NH1-CZ 3.28Å; R144-T290 CarbonylContact O-C 3.2Å; R144-T290 WeakPolarHBondContact O-CA 3.06Å; R144-Y291 PolarHBondContact N-O 2.96Å; R144-Y291 PolarHBondContact O-N 3.25Å; R144-W295 HydrophobicContact CB-CH2 4.03Å; R144-W295 HydrophobicContact CB-CZ2 3.66Å
145	Q	91.3	Very high	80.7	Confident	93 Å²	93	42.5 Å²	42.5	44%	0.435	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	131.9	174.3	-172.6	177.7	7.7	0	0	109.8	G127 T128	G127-Q145 WeakPolarHBondContact CA-O 3.38Å; T128-Q145 PolarHBondContact N-O 3.42Å; T128-Q145 PolarHBondContact O-N 3.1Å
146	S	85.1	Confident	78.5	Confident	15 Å²	15	41.7 Å²	41.7	11%	0.105	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-82.8	160.6	171.5	83.4	0	0	0	0	112.2	E289	S146-E289 PolarHBondContact N-O 3.09Å; S146-E289 PolarHBondContact OG-N 3.46Å
147	V	83.8	Confident	76	Confident	12 Å²	12	44 Å²	44	7%	0.073	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-70.9	166.4	156.2	-65.4	0	0	0	0	111.4	D125 G127 M151 A152	D125-V147 HydrophobicContact CB-CG1 4.48Å; D125-V147 HydrophobicContact CB-CG2 4Å; D125-V147 WeakPolarHBondContact O-CG1 3.34Å; G127-V147 VanDerWaalsContact N-CG1 3.25Å; V147-M151 HydrophobicContact CB-CB 4.35Å; V147-M151 HydrophobicContact CG2-CB 3.99Å; V147-A152 HydrophobicContact CG2-CB 4.2Å
148	P	83.7	Confident	73.7	Confident	41 Å²	41	48.3 Å²	48.3	27%	0.266	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-48.8	143.5	171.1	-33.7	39.5	0	0	0	113.9	G150 M151 A152 A285 T287 T288	P148-G150 VanDerWaalsContact C-N 3.28Å; P148-G150 PolarHBondContact O-N 2.88Å; P148-M151 HydrophobicContact CB-CG 4.41Å; P148-M151 HydrophobicContact CB-SD 4.43Å; P148-M151 HydrophobicContact CG-SD 4.22Å; P148-M151 WeakPolarHBondContact O-CA 3.4Å; P148-M151 WeakPolarHBondContact O-CB 3.44Å; P148-M151 PolarHBondContact O-N 2.9Å; P148-A152 PolarHBondContact O-N 2.85Å; P148-A285 CarbonylContact C-O 3.34Å; P148-A285 WeakPolarHBondContact CB-O 3.37Å; P148-T287 CarbonylContact C-O 3.41Å; P148-T287 WeakPolarHBondContact CA-O 3.32Å; P148-T288 HydrophobicContact CG-CG2 4.12Å
149	Y	76.3	Confident	70.9	Confident	65 Å²	65	53.2 Å²	53.2	26%	0.255	29%	0.294	S	S	.	.	H	α-helix	trans	-61.5	-35.4	-170.6	-173.1	-107.3	0	0	0	112.4	A152 V153 I283 A285 T287	Y149-A152 CarbonylContact O-C 3.58Å; Y149-A152 PolarHBondContact O-N 3.36Å; Y149-V153 HydrophobicContact CD1-CG2 3.88Å; Y149-V153 HydrophobicContact CD2-CG2 4.45Å; Y149-V153 HydrophobicContact CE1-CG2 3.52Å; Y149-V153 HydrophobicContact CE2-CG2 4.14Å; Y149-V153 HydrophobicContact CG-CG2 4.33Å; Y149-V153 WeakPolarHBondContact O-CB 3.25Å; Y149-V153 VanDerWaalsContact O-CG2 3.27Å; Y149-V153 WeakPolarHBondContact O-CG2 3.44Å; Y149-V153 PolarHBondContact O-N 3.3Å; Y149-I283 HydrophobicContact CD1-CB 3.94Å; Y149-I283 HydrophobicContact CD1-CG2 3.53Å; Y149-I283 HydrophobicContact CD2-CG2 4.1Å; Y149-I283 HydrophobicContact CE1-CB 3.9Å; Y149-I283 HydrophobicContact CE1-CD1 4.45Å; Y149-I283 HydrophobicContact CE1-CG2 3.89Å; Y149-I283 HydrophobicContact CE2-CG2 4.42Å; Y149-I283 HydrophobicContact CG-CG2 3.65Å; Y149-A285 PolarHBondContact N-O 3.33Å; Y149-T287 WeakPolarHBondContact CB-O 3.49Å; Y149-T287 PolarHBondContact N-O 3.08Å
150	G	67.8	Low	68.3	Low	23 Å²	23	55.7 Å²	55.7	24%	0.237	30%	0.301	C	S	.	.	H	α-helix	trans	-61.8	-42.3	173.4	0	0	0	0	0	112.6	P148 V153 V154 A285	P148-G150 VanDerWaalsContact C-N 3.28Å; P148-G150 PolarHBondContact O-N 2.88Å; G150-V153 PolarHBondContact O-N 2.91Å; G150-V154 WeakPolarHBondContact O-CG2 3.5Å; G150-V154 PolarHBondContact O-N 2.89Å; G150-A285 PolarHBondContact N-O 2.89Å
151	M	69.3	Low	65.3	Low	104 Å²	104	57.1 Å²	57.1	51%	0.512	31%	0.306	S	S	.	.	H	α-helix	trans	-65.5	-43.2	173.3	-63.8	178.6	66.3	0	0	110.9	V147 P148 V153 V154 V155	V147-M151 HydrophobicContact CB-CB 4.35Å; V147-M151 HydrophobicContact CG2-CB 3.99Å; P148-M151 HydrophobicContact CB-CG 4.41Å; P148-M151 HydrophobicContact CB-SD 4.43Å; P148-M151 HydrophobicContact CG-SD 4.22Å; P148-M151 WeakPolarHBondContact O-CA 3.4Å; P148-M151 WeakPolarHBondContact O-CB 3.44Å; P148-M151 PolarHBondContact O-N 2.9Å; M151-V153 VanDerWaalsContact C-N 3.33Å; M151-V153 PolarHBondContact O-N 3.28Å; M151-V154 PolarHBondContact O-N 3.44Å; M151-V155 WeakPolarHBondContact O-CG2 3.18Å; M151-V155 PolarHBondContact O-N 3Å
152	A	61.2	Low	62.4	Low	13 Å²	13	55 Å²	55	11%	0.107	30%	0.301	C	S	.	.	H	α-helix	trans	-62.8	-36.9	176.7	0	0	0	0	0	112.5	V147 P148 Y149 V155 R156	V147-A152 HydrophobicContact CG2-CB 4.2Å; P148-A152 PolarHBondContact O-N 2.85Å; Y149-A152 CarbonylContact O-C 3.58Å; Y149-A152 PolarHBondContact O-N 3.36Å; A152-V155 CarbonylContact O-C 3.46Å; A152-V155 PolarHBondContact O-N 3.42Å; A152-R156 WeakPolarHBondContact O-CG 3.35Å; A152-R156 PolarHBondContact O-N 3.4Å
153	V	52.8	Low	59.8	Low	64 Å²	64	60.2 Å²	60.2	39%	0.388	33%	0.328	S	S	.	.	H	α-helix	trans	-71.4	-41.1	176.7	169.4	0	0	0	0	111.7	Y149 G150 M151 V155 R156	Y149-V153 HydrophobicContact CD1-CG2 3.88Å; Y149-V153 HydrophobicContact CD2-CG2 4.45Å; Y149-V153 HydrophobicContact CE1-CG2 3.52Å; Y149-V153 HydrophobicContact CE2-CG2 4.14Å; Y149-V153 HydrophobicContact CG-CG2 4.33Å; Y149-V153 WeakPolarHBondContact O-CB 3.25Å; Y149-V153 VanDerWaalsContact O-CG2 3.27Å; Y149-V153 WeakPolarHBondContact O-CG2 3.44Å; Y149-V153 PolarHBondContact O-N 3.3Å; G150-V153 PolarHBondContact O-N 2.91Å; M151-V153 VanDerWaalsContact C-N 3.33Å; M151-V153 PolarHBondContact O-N 3.28Å; V153-V155 PolarHBondContact O-N 3.44Å; V153-R156 CarbonylContact O-C 3.57Å; V153-R156 WeakPolarHBondContact O-CA 3.31Å; V153-R156 PolarHBondContact O-N 2.71Å
154	V	49.3	Very low	57.6	Low	108 Å²	108	60.7 Å²	60.7	66%	0.655	33%	0.333	S	S	*	.	H	α-helix	trans	-65.7	-19.2	172.2	172.4	0	0	0	0	112.3	G150 M151 R160	G150-V154 WeakPolarHBondContact O-CG2 3.5Å; G150-V154 PolarHBondContact O-N 2.89Å; M151-V154 PolarHBondContact O-N 3.44Å; V154-R160 PolarHBondContact O-NH1 3.37Å; V154-R160 VanDerWaalsContact O-NH1 3.15Å
155	V	47.4	Very low	55.4	Low	29 Å²	29	60.9 Å²	60.9	18%	0.176	34%	0.335	C	S	.	.	H	α-helix	trans	-84.8	-33.6	166.1	172.7	0	0	0	0	112.1	D125 M151 A152 V153 S157 R160	D125-V155 HydrophobicContact CB-CG2 4.14Å; M151-V155 WeakPolarHBondContact O-CG2 3.18Å; M151-V155 PolarHBondContact O-N 3Å; A152-V155 CarbonylContact O-C 3.46Å; A152-V155 PolarHBondContact O-N 3.42Å; V153-V155 PolarHBondContact O-N 3.44Å; V155-S157 VanDerWaalsContact C-N 3.26Å; V155-S157 PolarHBondContact O-N 2.86Å; V155-R160 WeakPolarHBondContact CG1-O 3.18Å; V155-R160 CarbonylContact O-C 3.59Å; V155-R160 WeakPolarHBondContact O-CB 3.38Å; V155-R160 WeakPolarHBondContact O-CG 3.35Å
156	R	41.3	Very low	53.5	Low	86 Å²	86	56.5 Å²	56.5	33%	0.325	31%	0.314	S	S	.	.			trans	-77.9	60.2	173.7	-65.5	-165.8	-145.8	89.9	1.6	113.4	A152 V153 F200	A152-R156 WeakPolarHBondContact O-CG 3.35Å; A152-R156 PolarHBondContact O-N 3.4Å; V153-R156 CarbonylContact O-C 3.57Å; V153-R156 WeakPolarHBondContact O-CA 3.31Å; V153-R156 PolarHBondContact O-N 2.71Å; R156-F200 PolarHBondContact NE-O 3.46Å; R156-F200 PolarHBondContact NH2-O 3.02Å
157	S	32.7	Very low	51.9	Low	49 Å²	49	60.4 Å²	60.4	34%	0.343	33%	0.327	S	S	.	.	S	Bend	trans	-70.1	157.6	147	94.9	0	0	0	0	108.8	V155 L159 R160	V155-S157 VanDerWaalsContact C-N 3.26Å; V155-S157 PolarHBondContact O-N 2.86Å; S157-L159 PolarHBondContact O-N 2.97Å; S157-L159 VanDerWaalsContact O-N 3.09Å; S157-L159 PolarHBondContact OG-N 2.88Å; S157-R160 PolarHBondContact O-N 3.17Å; S157-R160 WeakPolarHBondContact OG-CB 3.35Å; S157-R160 PolarHBondContact OG-N 3.35Å
158	P	38	Very low	50.2	Low	128 Å²	128	60.3 Å²	60.3	83%	0.831	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-28.9	176	-27.2	36.2	0	0	0	113.7
159	L	33.9	Very low	48.8	Very low	105 Å²	105	63.2 Å²	63.2	55%	0.55	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-11.1	179.2	-59.4	179.8	0	0	0	114.4	S157 L163 E451	S157-L159 PolarHBondContact O-N 2.97Å; S157-L159 VanDerWaalsContact O-N 3.09Å; S157-L159 PolarHBondContact OG-N 2.88Å; L159-L163 VanDerWaalsContact O-CD1 3.31Å; L159-L163 WeakPolarHBondContact O-CD1 3.38Å; L159-E451 WeakPolarHBondContact CD1-OE2 3.21Å
160	R	38.8	Very low	47.3	Very low	121 Å²	121	66.7 Å²	66.7	46%	0.457	36%	0.355	S	S	.	.			trans	-118.8	17.4	-163.1	-164.3	178.9	-167.6	-132.8	3.9	114.5	V154 V155 S157 S162	V154-R160 PolarHBondContact O-NH1 3.37Å; V154-R160 VanDerWaalsContact O-NH1 3.15Å; V155-R160 WeakPolarHBondContact CG1-O 3.18Å; V155-R160 CarbonylContact O-C 3.59Å; V155-R160 WeakPolarHBondContact O-CB 3.38Å; V155-R160 WeakPolarHBondContact O-CG 3.35Å; S157-R160 PolarHBondContact O-N 3.17Å; S157-R160 WeakPolarHBondContact OG-CB 3.35Å; S157-R160 PolarHBondContact OG-N 3.35Å; R160-S162 VanDerWaalsContact C-N 3.29Å; R160-S162 PolarHBondContact O-N 2.93Å
161	T	33.7	Very low	46.2	Very low	50 Å²	50	67.1 Å²	67.1	31%	0.307	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	68	-174.8	50.3	0	0	0	0	116.5	L163 P196	T161-L163 VanDerWaalsContact C-N 3.31Å; T161-L163 PolarHBondContact O-N 2.87Å; T161-P196 WeakPolarHBondContact O-CB 3.3Å
162	S	38.3	Very low	44.7	Very low	24 Å²	24	65.8 Å²	65.8	17%	0.168	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	44	-179.6	61.5	0	0	0	0	113.9	R160 S164 G198	R160-S162 VanDerWaalsContact C-N 3.29Å; R160-S162 PolarHBondContact O-N 2.93Å; S162-S164 PolarHBondContact O-N 3.37Å; S162-G198 VanDerWaalsContact OG-CA 3.24Å; S162-G198 WeakPolarHBondContact OG-CA 3.34Å; S162-G198 PolarHBondContact OG-N 2.85Å
163	L	41.8	Very low	43.6	Very low	109 Å²	109	69.5 Å²	69.5	57%	0.571	39%	0.389	S	S	*	.			trans	-60.4	-18	-171.4	-70.4	-178.4	0	0	0	115.3	L159 T161 S165	L159-L163 VanDerWaalsContact O-CD1 3.31Å; L159-L163 WeakPolarHBondContact O-CD1 3.38Å; T161-L163 VanDerWaalsContact C-N 3.31Å; T161-L163 PolarHBondContact O-N 2.87Å; L163-S165 PolarHBondContact O-N 2.97Å
164	S	49.5	Very low	42.4	Very low	29 Å²	29	72.1 Å²	72.1	20%	0.203	41%	0.405	C	S	.	.			trans	-77	48.7	173.6	-50.9	0	0	0	0	113.3	A124 S162	A124-S164 WeakPolarHBondContact CB-OG 3.32Å; S162-S164 PolarHBondContact O-N 3.37Å
165	S	47.1	Very low	41.5	Very low	11 Å²	11	73.6 Å²	73.6	8%	0.077	41%	0.414	C	S	.	.			trans	-63.5	121	165.9	168.4	0	0	0	0	109.6	L163 R167 R197	L163-S165 PolarHBondContact O-N 2.97Å; S165-R167 PolarHBondContact O-N 3.24Å; S165-R197 WeakPolarHBondContact OG-CD 3.17Å; S165-R197 VanDerWaalsContact OG-CG 3.3Å; S165-R197 WeakPolarHBondContact OG-CG 3.17Å
166	L	51.2	Low	40.4	Very low	0 Å²	0	76 Å²	76	0%	0	44%	0.437	C	S	.	.			trans	-81.4	41.6	176.7	-56.4	-175.6	0	0	0	111.6	W80 R97 A104 K105 Q115 E121 S168 R197	W80-L166 HydrophobicContact CE3-CD2 4.07Å; W80-L166 HydrophobicContact CH2-CD2 3.44Å; W80-L166 VanDerWaalsContact CH2-CD2 3.44Å; W80-L166 HydrophobicContact CZ2-CD2 4.47Å; W80-L166 HydrophobicContact CZ3-CD2 3.18Å; R97-L166 VanDerWaalsContact CZ-O 3.31Å; R97-L166 PolarHBondContact NH1-O 3.46Å; R97-L166 PolarHBondContact NH2-O 3.41Å; A104-L166 HydrophobicContact CB-CD2 3.91Å; K105-L166 WeakPolarHBondContact O-CD1 3.33Å; Q115-L166 VanDerWaalsContact CD-O 3.26Å; Q115-L166 PolarHBondContact NE2-O 3.36Å; Q115-L166 PolarHBondContact OE1-O 3.06Å; E121-L166 HydrophobicContact CB-CD1 4.47Å; E121-L166 HydrophobicContact CG-CB 4.34Å; E121-L166 HydrophobicContact CG-CD1 3.99Å; E121-L166 HydrophobicContact CG-CG 4.21Å; E121-L166 WeakPolarHBondContact OE1-CB 3.26Å; E121-L166 PolarHBondContact OE1-N 2.9Å; L166-S168 PolarHBondContact O-N 3.02Å; L166-R197 PolarHBondContact O-NH1 2.88Å
167	R	52.6	Low	39.9	Very low	97 Å²	97	77.6 Å²	77.6	37%	0.366	46%	0.459	S	S	.	.			trans	-67.7	127.2	176.7	-171.5	159.8	156	119.2	6.9	109.5	R97 M137 S165 E169	R97-R167 PolarHBondContact NH1-O 3.23Å; M137-R167 PolarHBondContact SD-NH1 3.27Å; M137-R167 VanDerWaalsContact SD-NH1 3.44Å; S165-R167 PolarHBondContact O-N 3.24Å; R167-E169 IonicContact CZ-OE1 2.8Å; R167-E169 IonicContact NE-OE1 3.86Å; R167-E169 PolarHBondContact NE-OE1 3.09Å; R167-E169 IonicContact NH2-OE1 2.67Å; R167-E169 PolarHBondContact NH2-OE1 3.06Å
168	S	47.2	Very low	39.7	Very low	10 Å²	10	83 Å²	83	7%	0.07	48%	0.484	C	S	.	.			trans	-89.8	104	173.2	51.9	0	0	0	0	108.3	L114 Q115 G136 L166	L114-S168 WeakPolarHBondContact CA-OG 3.42Å; L114-S168 WeakPolarHBondContact CD2-O 3.36Å; Q115-S168 PolarHBondContact N-OG 3.01Å; G136-S168 WeakPolarHBondContact CA-OG 3.49Å; L166-S168 PolarHBondContact O-N 3.02Å
169	E	54.5	Low	39.2	Very low	103 Å²	103	82 Å²	82	48%	0.481	48%	0.48	S	S	.	.			trans	-81.5	146.9	167.6	-67.4	-56.5	151.9	0	0	110.5	R167 S171	R167-E169 IonicContact CZ-OE1 2.8Å; R167-E169 IonicContact NE-OE1 3.86Å; R167-E169 PolarHBondContact NE-OE1 3.09Å; R167-E169 IonicContact NH2-OE1 2.67Å; R167-E169 PolarHBondContact NH2-OE1 3.06Å; E169-S171 PolarHBondContact O-N 2.72Å
170	H	45.6	Very low	39.4	Very low	138 Å²	138	83 Å²	83	64%	0.639	49%	0.492	S	S	*	.			trans	-55.8	134.8	-178.3	-66.4	88	0	0	0	111.2
171	S	44.3	Very low	38.7	Very low	31 Å²	31	81.6 Å²	81.6	22%	0.217	51%	0.507	C	S	.	.			trans	-92.2	-7.6	-166.5	57.5	0	0	0	0	115.6	E169	E169-S171 PolarHBondContact O-N 2.72Å
172	N	38.6	Very low	38.4	Very low	76 Å²	76	84.9 Å²	84.9	41%	0.406	53%	0.532	S	S	.	.	S	Bend	trans	-93.3	124.8	179.1	-70.6	11.1	0	0	0	109.8	F90 T174	F90-N172 WeakPolarHBondContact CE1-ND2 3.37Å; F90-N172 WeakPolarHBondContact CZ-ND2 3.37Å; N172-T174 PolarHBondContact O-N 3.49Å
173	G	36.8	Very low	38	Very low	91 Å²	91	89.9 Å²	89.9	94%	0.938	56%	0.564	S	S	*	*			trans	-75	48.4	177.6	0	0	0	0	0	113.6
174	T	28	Very low	37.4	Very low	119 Å²	119	89.3 Å²	89.3	73%	0.73	58%	0.575	S	S	*	*			trans	-110.6	114.5	177.5	-49.9	0	0	0	0	108.1	N172 A176	N172-T174 PolarHBondContact O-N 3.49Å; T174-A176 PolarHBondContact O-N 3.39Å
175	V	29.5	Very low	36.5	Very low	139 Å²	139	93.3 Å²	93.3	84%	0.842	60%	0.603	S	S	*	*			trans	-68.5	112.5	176.7	-180	0	0	0	0	108.5
176	A	25.1	Very low	35.7	Very low	80 Å²	80	101.1 Å²	101.1	66%	0.661	64%	0.644	S	S	*	*			trans	-76	136	164.1	0	0	0	0	0	108.6	T174 D178	T174-A176 PolarHBondContact O-N 3.39Å; A176-D178 PolarHBondContact O-N 3.09Å
177	P	30.9	Very low	34.7	Very low	120 Å²	120	103.9 Å²	103.9	78%	0.779	67%	0.672	S	S	*	*			trans	-76.2	109.5	-179	29.5	-33.3	0	0	0	110.9
178	D	29.2	Very low	33.6	Very low	163 Å²	163	105.3 Å²	105.3	87%	0.872	69%	0.694	S	S	*	*			trans	-62.9	151.9	162.5	-85.2	-40.9	0	0	0	110.6	A176	A176-D178 PolarHBondContact O-N 3.09Å
179	S	26.7	Very low	32.6	Very low	107 Å²	107	109.8 Å²	109.8	75%	0.748	73%	0.732	S	S	*	*			trans	-156	138.3	175.5	-79.7	0	0	0	0	112.2
180	P	37.3	Very low	31.2	Very low	124 Å²	124	112.2 Å²	112.2	81%	0.805	75%	0.747	S	S	*	*			cis	-136.7	-177.2	-20.8	39.6	-22.8	0	0	0	114.3
181	A	25	Very low	30.4	Very low	92 Å²	92	111.3 Å²	111.3	76%	0.76	75%	0.753	S	S	*	*			trans	77.7	86.8	158.5	0	0	0	0	0	119.7
182	S	27	Very low	29.5	Very low	120 Å²	120	115.2 Å²	115.2	84%	0.839	78%	0.781	S	S	*	*				-152.4	152.1	123.3	-81.7	0	0	0	0	109.5
183	P	30.4	Very low	29	Very low	129 Å²	129	117.5 Å²	117.5	84%	0.838	80%	0.8	S	S	*	*			trans	-74.8	159.5	-166.2	29.8	-35.8	0	0	0	114
184	A	29.7	Very low	28.8	Very low	97 Å²	97	116.5 Å²	116.5	80%	0.802	78%	0.783	S	S	*	*			trans	-71.4	153.3	-171.6	0	0	0	0	0	114.7
185	S	29.9	Very low	29.3	Very low	113 Å²	113	118 Å²	118	79%	0.79	79%	0.785	S	S	*	*			trans	-135.1	113.4	158.9	59.2	0	0	0	0	108	G187	S185-G187 PolarHBondContact O-N 3.42Å
186	D	31	Very low	30.2	Very low	174 Å²	174	114 Å²	114	93%	0.93	76%	0.762	S	S	*	*			trans	-66.5	124.5	-177.2	-69.7	-63.9	0	0	0	111.9
187	G	30.5	Very low	31.9	Very low	58 Å²	58	110.6 Å²	110.6	60%	0.598	73%	0.732	S	S	*	*			trans	-175.9	154.2	178.2	0	0	0	0	0	111.1	S185 A189	S185-G187 PolarHBondContact O-N 3.42Å; G187-A189 PolarHBondContact O-N 3.21Å
188	P	29.2	Very low	32.6	Very low	128 Å²	128	106.8 Å²	106.8	83%	0.831	71%	0.714	S	S	*	*			trans	-65.6	124.3	-178.5	26.8	-33.7	0	0	0	110.7	L190	P188-L190 PolarHBondContact O-N 3.24Å
189	A	25	Very low	33.5	Very low	104 Å²	104	99.6 Å²	99.6	86%	0.86	68%	0.679	S	S	*	*			trans	-68.6	94.7	-178.1	0	0	0	0	0	111.7	G187	G187-A189 PolarHBondContact O-N 3.21Å
190	L	25.6	Very low	34.6	Very low	154 Å²	154	95.6 Å²	95.6	81%	0.806	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-58.9	140.1	164.7	-77.1	162.6	0	0	0	109.8	P188 S192	P188-L190 PolarHBondContact O-N 3.24Å; L190-S192 PolarHBondContact O-N 3.2Å
191	P	28.7	Very low	34.7	Very low	118 Å²	118	91.8 Å²	91.8	77%	0.766	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-64.2	124.9	175.6	27.2	-33.5	0	0	0	109.7
192	S	24.5	Very low	35.6	Very low	114 Å²	114	87.9 Å²	87.9	80%	0.797	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-51	126.2	-179.1	-60.6	0	0	0	0	111.4	L190 A194	L190-S192 PolarHBondContact O-N 3.2Å; S192-A194 PolarHBondContact O-N 2.86Å; S192-A194 VanDerWaalsContact O-N 3.15Å
193	P	28.6	Very low	36.1	Very low	124 Å²	124	84.1 Å²	84.1	81%	0.805	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-62.5	120.9	-177.7	24.4	-33.3	0	0	0	109.9	I195	P193-I195 PolarHBondContact O-N 2.82Å; P193-I195 VanDerWaalsContact O-N 3.13Å
194	A	33.1	Very low	36.5	Very low	70 Å²	70	79.7 Å²	79.7	58%	0.579	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-62.2	116.5	-177.6	0	0	0	0	0	110.2	S192 P196	S192-A194 PolarHBondContact O-N 2.86Å; S192-A194 VanDerWaalsContact O-N 3.15Å; A194-P196 VanDerWaalsContact O-N 3.16Å
195	I	38.6	Very low	36.7	Very low	150 Å²	150	80.4 Å²	80.4	77%	0.769	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-55.5	121.7	-178.7	-61.4	173.8	0	0	0	108.9	P193	P193-I195 PolarHBondContact O-N 2.82Å; P193-I195 VanDerWaalsContact O-N 3.13Å
196	P	49.3	Very low	36.8	Very low	55 Å²	55	76.9 Å²	76.9	36%	0.357	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-65.7	142	-172.4	23.3	-33.1	0	0	0	112	T161 A194 G198	T161-P196 WeakPolarHBondContact O-CB 3.3Å; A194-P196 VanDerWaalsContact O-N 3.16Å; P196-G198 PolarHBondContact O-N 2.9Å
197	R	60.1	Low	36.9	Very low	8 Å²	8	73.1 Å²	73.1	3%	0.03	48%	0.483	C	S	.	.			trans	-72.6	13	176.2	-84.2	179.4	172.9	175.8	2.4	114.2	E121 G136 R138 S165 L166 G199 D298	E121-R197 IonicContact OE1-CZ 3.48Å; E121-R197 IonicContact OE1-NH1 3.2Å; E121-R197 PolarHBondContact OE1-NH1 3.28Å; E121-R197 IonicContact OE2-NH1 3.76Å; G136-R197 PolarHBondContact O-NH2 2.8Å; R138-R197 PolarHBondContact NH2-O 3.06Å; S165-R197 WeakPolarHBondContact OG-CD 3.17Å; S165-R197 VanDerWaalsContact OG-CG 3.3Å; S165-R197 WeakPolarHBondContact OG-CG 3.17Å; L166-R197 PolarHBondContact O-NH1 2.88Å; R197-G199 PolarHBondContact O-N 2.68Å; R197-D298 HydrophobicContact CG-CB 4.38Å; R197-D298 IonicContact CZ-OD1 2.7Å; R197-D298 IonicContact CZ-OD2 2.86Å; R197-D298 VanDerWaalsContact CZ-OD2 3.3Å; R197-D298 IonicContact NE-OD1 3.88Å; R197-D298 PolarHBondContact NE-OD1 3.32Å; R197-D298 IonicContact NE-OD2 2.66Å; R197-D298 PolarHBondContact NE-OD2 3.13Å; R197-D298 IonicContact NH2-OD1 2.7Å; R197-D298 PolarHBondContact NH2-OD1 2.87Å; R197-D298 IonicContact NH2-OD2 2.83Å; R197-D298 PolarHBondContact NH2-OD2 3.13Å
198	G	46.3	Very low	37.1	Very low	40 Å²	40	75.4 Å²	75.4	41%	0.412	49%	0.488	S	S	.	.			trans	-77.5	69.1	-174.1	0	0	0	0	0	114.4	S162 P196 F200	S162-G198 VanDerWaalsContact OG-CA 3.24Å; S162-G198 WeakPolarHBondContact OG-CA 3.34Å; S162-G198 PolarHBondContact OG-N 2.85Å; P196-G198 PolarHBondContact O-N 2.9Å; G198-F200 PolarHBondContact O-N 2.95Å; G198-F200 VanDerWaalsContact O-N 3.09Å
199	G	48	Very low	37.3	Very low	13 Å²	13	75.2 Å²	75.2	13%	0.134	48%	0.476	C	S	.	.			trans	-75.6	20.2	174.5	0	0	0	0	0	115.5	R197	R197-G199 PolarHBondContact O-N 2.68Å
200	F	49.5	Very low	37.7	Very low	22 Å²	22	73.9 Å²	73.9	10%	0.096	47%	0.465	C	S	.	.			trans	-116.8	98	-166.5	-84.7	-106.7	0	0	0	112.2	R144 R156 G198 E289	R144-F200 HydrophobicContact CB-CZ 4.49Å; R144-F200 VanDerWaalsContact CD-CE2 3.43Å; R144-F200 HydrophobicContact CG-CE2 4.4Å; R144-F200 HydrophobicContact CG-CZ 4.39Å; R144-F200 VanDerWaalsContact NH1-CD2 3.25Å; R144-F200 VanDerWaalsContact NH1-CZ 3.28Å; R156-F200 PolarHBondContact NE-O 3.46Å; R156-F200 PolarHBondContact NH2-O 3.02Å; G198-F200 PolarHBondContact O-N 2.95Å; G198-F200 VanDerWaalsContact O-N 3.09Å; F200-E289 HydrophobicContact CD1-CB 4.08Å; F200-E289 HydrophobicContact CD1-CG 4.26Å; F200-E289 HydrophobicContact CE1-CB 3.78Å; F200-E289 HydrophobicContact CE1-CG 3.73Å
201	A	39.2	Very low	38.1	Very low	44 Å²	44	70.2 Å²	70.2	36%	0.364	46%	0.456	S	S	.	.			trans	-165.5	111.5	145.2	0	0	0	0	0	106.6	S203	A201-S203 PolarHBondContact O-N 2.91Å
202	L	43.4	Very low	38.3	Very low	11 Å²	11	68.3 Å²	68.3	6%	0.058	45%	0.451	C	S	.	.			trans	-75.3	69.6	160.4	-80.8	175	0	0	0	109.2	L204 E289 R308 W318	L202-L204 PolarHBondContact O-N 2.92Å; L202-E289 WeakPolarHBondContact CD1-OE1 3.45Å; L202-E289 WeakPolarHBondContact CG-OE1 3.37Å; L202-R308 PolarHBondContact O-NH2 3.27Å; L202-W318 HydrophobicContact CD2-CH2 4.27Å
203	S	37.4	Very low	38.7	Very low	40 Å²	40	72.7 Å²	72.7	28%	0.28	45%	0.45	S	S	.	.			trans	-69.3	120.9	155.9	-75.4	0	0	0	0	108	A201 L205 E280 N344	A201-S203 PolarHBondContact O-N 2.91Å; S203-L205 VanDerWaalsContact C-N 3.26Å; S203-E280 VanDerWaalsContact C-OE1 3.29Å; S203-E280 WeakPolarHBondContact CA-OE1 3.24Å; S203-E280 WeakPolarHBondContact CA-OE2 3.45Å; S203-E280 WeakPolarHBondContact CB-OE1 3.14Å; S203-E280 WeakPolarHBondContact CB-OE2 3.14Å; S203-E280 PolarHBondContact OG-OE2 2.96Å; S203-N344 PolarHBondContact O-ND2 2.66Å
204	L	39.6	Very low	38.8	Very low	36 Å²	36	70.3 Å²	70.3	19%	0.188	44%	0.441	C	S	.	.	S	Bend	trans	-73.3	-28.4	173.3	-59.9	171.5	0	0	0	109.4	L202 A206 F279 E280 R323	L202-L204 PolarHBondContact O-N 2.92Å; L204-A206 PolarHBondContact O-N 2.84Å; L204-F279 HydrophobicContact CD1-CB 3.81Å; L204-F279 HydrophobicContact CD1-CD1 3.76Å; L204-F279 HydrophobicContact CD1-CG 4.2Å; L204-E280 HydrophobicContact CB-CG 4.49Å; L204-E280 PolarHBondContact N-OE1 3.46Å; L204-R323 VanDerWaalsContact CD2-NH2 3.32Å
205	L	33.4	Very low	38.7	Very low	112 Å²	112	73.4 Å²	73.4	59%	0.586	46%	0.455	S	S	*	.			trans	-86.5	87.2	173.2	-66	166.2	0	0	0	111.3	S203 N207 E280	S203-L205 VanDerWaalsContact C-N 3.26Å; L205-N207 PolarHBondContact O-N 2.9Å; L205-E280 WeakPolarHBondContact CB-OE1 3.32Å; L205-E280 PolarHBondContact N-OE1 3.02Å
206	A	32.4	Very low	38.4	Very low	39 Å²	39	76 Å²	76	32%	0.322	46%	0.461	S	S	.	.			trans	-72.9	100.9	154.2	0	0	0	0	0	108.3	L204 P208 H343 V345	L204-A206 PolarHBondContact O-N 2.84Å; A206-P208 WeakPolarHBondContact O-CD 3.45Å; A206-P208 VanDerWaalsContact O-N 3.13Å; A206-H343 VanDerWaalsContact CB-O 3.32Å; A206-H343 WeakPolarHBondContact CB-O 3.42Å; A206-V345 HydrophobicContact CB-CG2 4.29Å
207	N	32.3	Very low	37.5	Very low	95 Å²	95	77.5 Å²	77.5	51%	0.508	49%	0.486	S	S	.	.			trans	-58.9	116.7	175.3	179.5	-11.7	0	0	0	109.3	L205 E209 A210	L205-N207 PolarHBondContact O-N 2.9Å; N207-E209 PolarHBondContact O-N 2.82Å; N207-E209 PolarHBondContact OD1-N 2.83Å; N207-E209 VanDerWaalsContact OD1-N 3.07Å; N207-A210 PolarHBondContact O-N 3.19Å
208	P	35.9	Very low	36	Very low	106 Å²	106	81 Å²	81	69%	0.688	52%	0.524	S	S	*	.	H	α-helix	trans	-65	-23.4	-173.1	25.9	-35	0	0	0	113.7	A206 A212	A206-P208 WeakPolarHBondContact O-CD 3.45Å; A206-P208 VanDerWaalsContact O-N 3.13Å; P208-A212 PolarHBondContact O-N 3.37Å
209	E	31.7	Very low	35.2	Very low	124 Å²	124	82.5 Å²	82.5	58%	0.579	54%	0.54	S	S	*	.	H	α-helix	trans	-67.4	-34.9	177.4	-71.3	-164.6	99.6	0	0	113.1	N207 A211 A212	N207-E209 PolarHBondContact O-N 2.82Å; N207-E209 PolarHBondContact OD1-N 2.83Å; N207-E209 VanDerWaalsContact OD1-N 3.07Å; E209-A211 VanDerWaalsContact C-N 3.32Å; E209-A211 PolarHBondContact O-N 3.36Å; E209-A212 WeakPolarHBondContact O-CB 3.46Å; E209-A212 PolarHBondContact O-N 2.84Å; E209-A212 VanDerWaalsContact O-N 3.09Å
210	A	34.3	Very low	34.4	Very low	77 Å²	77	89.3 Å²	89.3	64%	0.636	57%	0.573	S	S	*	*	H	α-helix	trans	-64.9	-39.1	-177.8	0	0	0	0	0	111.5	N207 A212	N207-A210 PolarHBondContact O-N 3.19Å; A210-A212 VanDerWaalsContact C-N 3.25Å; A210-A212 PolarHBondContact O-N 3.44Å
211	A	34.1	Very low	33.4	Very low	76 Å²	76	97.1 Å²	97.1	63%	0.628	61%	0.607	S	S	*	*	H	α-helix	trans	-73	-15.1	175.9	0	0	0	0	0	113.5	E209	E209-A211 VanDerWaalsContact C-N 3.32Å; E209-A211 PolarHBondContact O-N 3.36Å
212	A	33.4	Very low	33	Very low	78 Å²	78	104.2 Å²	104.2	65%	0.645	63%	0.632	S	S	*	*	H	α-helix	trans	-85.1	-14.5	179.4	0	0	0	0	0	113.7	P208 E209 A210	P208-A212 PolarHBondContact O-N 3.37Å; E209-A212 WeakPolarHBondContact O-CB 3.46Å; E209-A212 PolarHBondContact O-N 2.84Å; E209-A212 VanDerWaalsContact O-N 3.09Å; A210-A212 VanDerWaalsContact C-N 3.25Å; A210-A212 PolarHBondContact O-N 3.44Å
213	R	31.9	Very low	32.4	Very low	206 Å²	206	115.8 Å²	115.8	78%	0.777	68%	0.675	S	S	*	*			trans	-97.3	24.1	-176.3	-68.3	-170.6	178.9	-179.9	3.7	115.3
214	A	30.9	Very low	31.9	Very low	75 Å²	75	117.7 Å²	117.7	62%	0.62	70%	0.701	S	S	*	*	S	Bend	trans	-73.2	126	163.1	0	0	0	0	0	109.7	K216	A214-K216 PolarHBondContact O-N 2.94Å; A214-K216 VanDerWaalsContact O-N 3.14Å
215	P	30.5	Very low	31.5	Very low	134 Å²	134	120.6 Å²	120.6	87%	0.87	73%	0.731	S	S	*	*			trans	-71.5	111.5	-172.7	27.6	-34.3	0	0	0	111.8
216	K	32.8	Very low	31.4	Very low	205 Å²	205	123.4 Å²	123.4	89%	0.891	75%	0.745	S	S	*	*			trans	-87.2	122	160.7	-69.1	-177.3	178.1	-179.9	0	108.5	A214	A214-K216 PolarHBondContact O-N 2.94Å; A214-K216 VanDerWaalsContact O-N 3.14Å
217	G	30.6	Very low	31.3	Very low	86 Å²	86	128.9 Å²	128.9	89%	0.887	77%	0.768	S	S	*	*			trans	-71.6	139	175.5	0	0	0	0	0	112.2
218	G	29.2	Very low	31	Very low	81 Å²	81	127.3 Å²	127.3	84%	0.835	78%	0.775	S	S	*	*			trans	142.3	104.7	165	0	0	0	0	0	116.4
219	G	29	Very low	30.7	Very low	73 Å²	73	131.5 Å²	131.5	75%	0.753	78%	0.782	S	S	*	*			trans	94.2	103.9	139.1	0	0	0	0	0	120.7
220	L	31.3	Very low	30.5	Very low	155 Å²	155	133.4 Å²	133.4	81%	0.812	80%	0.795	S	S	*	*			trans	59	112.6	130	-60.3	165.5	0	0	0	121.3
221	F	29	Very low	30.3	Very low	187 Å²	187	141.6 Å²	141.6	82%	0.82	81%	0.81	S	S	*	*			trans	40.4	127.1	145.3	-60.5	-78	0	0	0	122.1
222	Q	29.6	Very low	29.9	Very low	192 Å²	192	148.2 Å²	148.2	90%	0.897	82%	0.818	S	S	*	*				-168.9	174.1	88.7	-97.5	-161.8	7.7	0	0	113.2
223	R	30.1	Very low	29.6	Very low	254 Å²	254	148.7 Å²	148.7	96%	0.958	82%	0.823	S	S	*	*			trans	-96.1	152.3	179.6	-79.3	172.9	159.2	161.3	-8	111.8
224	G	27.6	Very low	29.2	Very low	80 Å²	80	145.1 Å²	145.1	83%	0.825	82%	0.815	S	S	*	*			trans	-170.6	139.9	162.4	0	0	0	0	0	111.7
225	A	31.4	Very low	29	Very low	98 Å²	98	146.1 Å²	146.1	81%	0.81	82%	0.817	S	S	*	*			trans	-150.4	143.2	179.2	0	0	0	0	0	111.2
226	L	31.5	Very low	29	Very low	170 Å²	170	150.3 Å²	150.3	89%	0.89	82%	0.816	S	S	*	*			trans	-168.9	148.3	153.6	-89.2	134.1	0	0	0	107.2
227	L	29.7	Very low	28.7	Very low	154 Å²	154	146.3 Å²	146.3	81%	0.806	81%	0.809	S	S	*	*			cis	119.5	111	10.8	-130.9	161.4	0	0	0	111.2
228	G	26.6	Very low	28.6	Very low	62 Å²	62	146.8 Å²	146.8	64%	0.639	80%	0.798	S	S	*	*			trans	147.7	98.2	173.6	0	0	0	0	0	113.4
229	K	29.3	Very low	28.6	Very low	195 Å²	195	151.2 Å²	151.2	85%	0.848	80%	0.802	S	S	*	*				58.7	96.6	87.8	-64.5	178.9	-179.8	176.8	0	113
230	L	28.7	Very low	28.6	Very low	163 Å²	163	151.6 Å²	151.6	85%	0.853	81%	0.805	S	S	*	*				71.4	116.2	61.9	-173.6	128	0	0	0	115.6
231	R	28.8	Very low	28.6	Very low	250 Å²	250	148.6 Å²	148.6	94%	0.943	80%	0.798	S	S	*	*			trans	-162	162.8	140.9	-110.1	165.7	-172.8	-158.5	-1.9	112.4
232	R	26.1	Very low	28.7	Very low	214 Å²	214	146.3 Å²	146.3	81%	0.808	79%	0.79	S	S	*	*			trans	-145	140	-164.6	159	-178.7	166.6	176.5	-3.5	111	E234	R232-E234 IonicContact CZ-OE1 3.3Å; R232-E234 IonicContact NE-OE1 2.85Å; R232-E234 PolarHBondContact NE-OE1 3.01Å; R232-E234 IonicContact NH2-OE1 2.83Å; R232-E234 PolarHBondContact NH2-OE1 3.48Å
233	A	26.3	Very low	28.7	Very low	89 Å²	89	146.6 Å²	146.6	74%	0.736	78%	0.782	S	S	*	*			trans	-164.5	136.8	162.2	0	0	0	0	0	105.7
234	E	23.4	Very low	28.6	Very low	131 Å²	131	137.9 Å²	137.9	61%	0.612	76%	0.761	S	S	*	*			cis	67.8	130.1	28.6	-59.6	-174.3	-148.9	0	0	115	R232	R232-E234 IonicContact CZ-OE1 3.3Å; R232-E234 IonicContact NE-OE1 2.85Å; R232-E234 PolarHBondContact NE-OE1 3.01Å; R232-E234 IonicContact NH2-OE1 2.83Å; R232-E234 PolarHBondContact NH2-OE1 3.48Å
235	S	27.7	Very low	28.9	Very low	95 Å²	95	145.7 Å²	145.7	66%	0.664	77%	0.765	S	S	*	*			cis	-171.3	-177.8	-6.9	-98.8	0	0	0	0	109.4
236	R	29.9	Very low	28.7	Very low	223 Å²	223	146 Å²	146	84%	0.842	76%	0.757	S	S	*	*			trans	94.8	119.2	151.6	-47.8	173	71.1	120.2	-0.7	119.8
237	T	27.8	Very low	28.6	Very low	121 Å²	121	143.5 Å²	143.5	74%	0.742	75%	0.753	S	S	*	*				48.8	143.8	129	61.1	0	0	0	0	121.8
238	S	28.1	Very low	28.5	Very low	96 Å²	96	145.2 Å²	145.2	67%	0.671	76%	0.755	S	S	*	*			cis	-174.7	153.1	10.2	35.2	0	0	0	0	115
239	L	28.8	Very low	28.7	Very low	174 Å²	174	149.8 Å²	149.8	91%	0.911	76%	0.764	S	S	*	*			trans	60.9	117.6	142.2	-67.3	167.8	0	0	0	123.4
240	G	28.8	Very low	28.6	Very low	80 Å²	80	149.3 Å²	149.3	83%	0.825	76%	0.761	S	S	*	*			trans	97.9	146	138.6	0	0	0	0	0	118.4
241	S	32.4	Very low	28.4	Very low	93 Å²	93	146.2 Å²	146.2	65%	0.65	75%	0.753	S	S	*	*			cis	-168.1	129.5	-11.4	179.8	0	0	0	0	112.9
242	Q	29.2	Very low	28.2	Very low	139 Å²	139	140.1 Å²	140.1	65%	0.65	74%	0.74	S	S	*	*			trans	69	151.5	161.1	-68.8	169.4	-23.9	0	0	116.1	S258	Q242-S258 CarbonylContact C-O 3.46Å; Q242-S258 VanDerWaalsContact C-O 3.23Å; Q242-S258 WeakPolarHBondContact CA-O 3.32Å; Q242-S258 PolarHBondContact N-O 3.43Å
243	R	30.1	Very low	28.4	Very low	197 Å²	197	137.8 Å²	137.8	74%	0.743	74%	0.742	S	S	*	*			cis	-163.3	79.3	40.1	-154.2	170.5	-158.6	-139.8	5.4	116.1	D259	R243-D259 VanDerWaalsContact C-OD2 3.25Å; R243-D259 WeakPolarHBondContact CA-OD2 3.2Å; R243-D259 PolarHBondContact N-OD2 2.87Å
244	S	29.3	Very low	28.4	Very low	72 Å²	72	139 Å²	139	50%	0.503	75%	0.746	S	S	.	*			trans	55.8	117.7	139.5	64.1	0	0	0	0	121.3
245	R	32.2	Very low	28.5	Very low	243 Å²	243	138.6 Å²	138.6	92%	0.917	76%	0.757	S	S	*	*			trans	-133.5	148.1	135.6	-93.6	-170.2	169.6	85.7	-2.1	109.4
246	V	28.1	Very low	28.3	Very low	106 Å²	106	137.7 Å²	137.7	64%	0.642	76%	0.763	S	S	*	*			trans	-140.8	133.6	-169.6	-175.9	0	0	0	0	111.2	F248	V246-F248 HydrophobicContact CG1-CD1 4.3Å; V246-F248 HydrophobicContact CG1-CD2 3.94Å; V246-F248 HydrophobicContact CG1-CE1 3.97Å; V246-F248 HydrophobicContact CG1-CE2 3.57Å; V246-F248 HydrophobicContact CG1-CG 4.3Å; V246-F248 HydrophobicContact CG1-CZ 3.59Å
247	S	30.2	Very low	28.2	Very low	116 Å²	116	131.1 Å²	131.1	81%	0.811	76%	0.756	S	S	*	*			trans	-142.2	140.8	153.4	52.3	0	0	0	0	108
248	F	26.1	Very low	28.3	Very low	191 Å²	191	127.9 Å²	127.9	84%	0.838	74%	0.738	S	S	*	*			trans	-94.7	131.3	-156.4	-70.6	-91.7	0	0	0	114	V246	V246-F248 HydrophobicContact CG1-CD1 4.3Å; V246-F248 HydrophobicContact CG1-CD2 3.94Å; V246-F248 HydrophobicContact CG1-CE1 3.97Å; V246-F248 HydrophobicContact CG1-CE2 3.57Å; V246-F248 HydrophobicContact CG1-CG 4.3Å; V246-F248 HydrophobicContact CG1-CZ 3.59Å
249	L	30.9	Very low	28.2	Very low	158 Å²	158	127.8 Å²	127.8	83%	0.827	73%	0.73	S	S	*	*			trans	-79	164.3	145.2	-72.3	172.9	0	0	0	109.7
250	K	27.7	Very low	28.2	Very low	184 Å²	184	123.9 Å²	123.9	80%	0.8	72%	0.723	S	S	*	*	S	Bend	trans	29	121.3	137.3	179.5	171.2	178.3	-179.4	0	117.7	D252	K250-D252 PolarHBondContact O-N 3.02Å; K250-D252 VanDerWaalsContact O-N 3.11Å
251	S	24.7	Very low	28.1	Very low	98 Å²	98	124.2 Å²	124.2	69%	0.685	72%	0.718	S	S	*	*	S	Bend	trans	-54.1	111.9	149.6	50.3	0	0	0	0	108.5
252	D	23.7	Very low	27.8	Very low	123 Å²	123	125.3 Å²	125.3	66%	0.658	73%	0.726	S	S	*	*				-151.1	149.7	72.2	-76.7	-39.6	0	0	0	115.4	K250 S254	K250-D252 PolarHBondContact O-N 3.02Å; K250-D252 VanDerWaalsContact O-N 3.11Å; D252-S254 PolarHBondContact O-N 2.89Å
253	L	31.1	Very low	27.5	Very low	165 Å²	165	124.4 Å²	124.4	86%	0.864	73%	0.73	S	S	*	*			trans	52.6	51.6	137.3	-55.3	174	0	0	0	118.6
254	S	26	Very low	27.3	Very low	115 Å²	115	121.5 Å²	121.5	80%	0.804	73%	0.734	S	S	*	*				40.5	107	116.8	176.8	0	0	0	0	119.3	D252	D252-S254 PolarHBondContact O-N 2.89Å
255	S	26	Very low	27.1	Very low	122 Å²	122	123.5 Å²	123.5	85%	0.853	75%	0.748	S	S	*	*				-163.1	122.1	119.3	-163.7	0	0	0	0	114.1
256	G	24.3	Very low	26.8	Very low	76 Å²	76	120.1 Å²	120.1	78%	0.784	75%	0.747	S	S	*	*			trans	48.5	90.9	145.2	0	0	0	0	0	122.1
257	A	27.2	Very low	26.6	Very low	85 Å²	85	118.3 Å²	118.3	70%	0.702	75%	0.75	S	S	*	*			trans	-89.4	171.1	133.6	0	0	0	0	0	108.7
258	S	30.5	Very low	26.4	Very low	52 Å²	52	122.1 Å²	122.1	36%	0.364	76%	0.755	S	S	.	*			cis	-132	-158.8	2.5	-55.4	0	0	0	0	106.9	Q242	Q242-S258 CarbonylContact C-O 3.46Å; Q242-S258 VanDerWaalsContact C-O 3.23Å; Q242-S258 WeakPolarHBondContact CA-O 3.32Å; Q242-S258 PolarHBondContact N-O 3.43Å
259	D	25.9	Very low	26.6	Very low	95 Å²	95	117.7 Å²	117.7	51%	0.508	75%	0.754	S	S	.	*			cis	-134.9	175.1	4.9	-77.1	-67.7	0	0	0	107.8	R243	R243-D259 VanDerWaalsContact C-OD2 3.25Å; R243-D259 WeakPolarHBondContact CA-OD2 3.2Å; R243-D259 PolarHBondContact N-OD2 2.87Å
260	A	28.4	Very low	26.5	Very low	92 Å²	92	115 Å²	115	76%	0.76	76%	0.755	S	S	*	*			cis	73	136.3	32.3	0	0	0	0	0	114.3
261	A	25.6	Very low	26.6	Very low	86 Å²	86	116.1 Å²	116.1	71%	0.711	76%	0.762	S	S	*	*			cis	-153.8	172.1	0.7	0	0	0	0	0	112.1
262	S	26.7	Very low	26.8	Very low	117 Å²	117	115 Å²	115	82%	0.818	77%	0.767	S	S	*	*			trans	73.8	154.6	164.1	-49.2	0	0	0	0	116.9
263	T	23.2	Very low	27.3	Very low	120 Å²	120	114.1 Å²	114.1	74%	0.736	78%	0.777	S	S	*	*			cis	-140.1	142.9	18.9	51.2	0	0	0	0	115.4
264	T	26.5	Very low	27.4	Very low	136 Å²	136	113.6 Å²	113.6	83%	0.834	78%	0.775	S	S	*	*			trans	36.9	120	143.2	61.3	0	0	0	0	123.7
265	S	24	Very low	27.9	Very low	113 Å²	113	116.2 Å²	116.2	79%	0.79	77%	0.774	S	S	*	*			trans	-170.5	102.7	135.6	-168.4	0	0	0	0	108.3
266	L	25.8	Very low	28.4	Very low	173 Å²	173	114 Å²	114	91%	0.906	76%	0.763	S	S	*	*				82.3	118.4	82.2	-170.2	69.1	0	0	0	114.2
267	G	24.7	Very low	28.9	Very low	68 Å²	68	114.5 Å²	114.5	70%	0.701	75%	0.751	S	S	*	*			trans	95.2	146.9	173.7	0	0	0	0	0	115.3
268	E	26.6	Very low	29.5	Very low	196 Å²	196	115.8 Å²	115.8	92%	0.916	75%	0.752	S	S	*	*			cis	-159.5	155.6	-29	-169.7	163.2	135.6	0	0	108
269	A	30.1	Very low	30	Very low	98 Å²	98	117.8 Å²	117.8	81%	0.81	76%	0.755	S	S	*	*			trans	-38.7	136.4	-168.3	0	0	0	0	0	120.1
270	A	28.5	Very low	31.1	Very low	102 Å²	102	115.8 Å²	115.8	84%	0.843	74%	0.742	S	S	*	*			trans	-152.8	119.9	143.4	0	0	0	0	0	110.5
271	E	30.3	Very low	31.9	Very low	206 Å²	206	116 Å²	116	96%	0.963	74%	0.744	S	S	*	*			trans	-83.3	139.6	174.3	-60.9	-175.3	136.3	0	0	110.7
272	G	27.3	Very low	33.5	Very low	76 Å²	76	119.1 Å²	119.1	78%	0.784	75%	0.749	S	S	*	*			trans	-157.7	13	-166.6	0	0	0	0	0	119.3	D274	G272-D274 PolarHBondContact O-N 3.07Å
273	A	34	Very low	35.5	Very low	104 Å²	104	114.9 Å²	114.9	86%	0.86	72%	0.716	S	S	*	*			trans	44.4	59.5	164.6	0	0	0	0	0	117.7	E275	A273-E275 PolarHBondContact O-N 3.46Å
274	D	33.1	Very low	38	Very low	154 Å²	154	112.9 Å²	112.9	82%	0.824	70%	0.701	S	S	*	*			trans	-79.8	93	161.7	-171.8	8	0	0	0	109.9	G272	G272-D274 PolarHBondContact O-N 3.07Å
275	E	37.7	Very low	40.4	Very low	169 Å²	169	109 Å²	109	79%	0.79	68%	0.684	S	S	*	*			trans	-119.3	49.5	173.2	-156.9	178.1	126	0	0	111.1	A273 T277	A273-E275 PolarHBondContact O-N 3.46Å; E275-T277 PolarHBondContact O-N 2.96Å; E275-T277 VanDerWaalsContact O-N 3.09Å
276	A	36.2	Very low	43.3	Very low	76 Å²	76	108.3 Å²	108.3	63%	0.628	68%	0.675	S	S	*	*			trans	-65	102.5	162.7	0	0	0	0	0	109.6	P278	A276-P278 VanDerWaalsContact O-CD 3.24Å; A276-P278 WeakPolarHBondContact O-CD 3.05Å
277	T	34.7	Very low	46.1	Very low	86 Å²	86	100.5 Å²	100.5	53%	0.528	63%	0.634	S	S	.	*			trans	-54.5	115	-171.8	54.1	0	0	0	0	112.9	E275 F279	E275-T277 PolarHBondContact O-N 2.96Å; E275-T277 VanDerWaalsContact O-N 3.09Å; T277-F279 PolarHBondContact O-N 3.26Å
278	P	39.3	Very low	49	Very low	112 Å²	112	98.8 Å²	98.8	73%	0.727	61%	0.61	S	S	*	*			trans	-69.3	6.1	-171.5	-25	36.1	0	0	0	117.6	A276 E280 A281	A276-P278 VanDerWaalsContact O-CD 3.24Å; A276-P278 WeakPolarHBondContact O-CD 3.05Å; P278-E280 VanDerWaalsContact C-N 3.31Å; P278-E280 PolarHBondContact O-N 2.93Å; P278-E280 VanDerWaalsContact O-N 3.07Å; P278-A281 PolarHBondContact O-N 3.15Å
279	F	41.5	Very low	52	Low	94 Å²	94	90 Å²	90	41%	0.412	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.5	16	-155.2	-138.3	-88.1	0	0	0	116.8	L204 T277 L312 L331 P332	L204-F279 HydrophobicContact CD1-CB 3.81Å; L204-F279 HydrophobicContact CD1-CD1 3.76Å; L204-F279 HydrophobicContact CD1-CG 4.2Å; T277-F279 PolarHBondContact O-N 3.26Å; F279-L312 HydrophobicContact CE1-CD1 4.46Å; F279-L331 HydrophobicContact CD1-CD2 4.42Å; F279-L331 HydrophobicContact CE1-CD2 4.11Å; F279-L331 HydrophobicContact CE2-CD2 4.36Å; F279-L331 HydrophobicContact CZ-CD2 4.09Å; F279-P332 HydrophobicContact CE1-CG 4.42Å; F279-P332 HydrophobicContact CZ-CG 3.98Å
280	E	48.7	Very low	55	Low	54 Å²	54	87.2 Å²	87.2	25%	0.252	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-4	166.9	-79.2	-168.2	-127.1	0	0	113.9	S203 L204 L205 P278 D282	S203-E280 VanDerWaalsContact C-OE1 3.29Å; S203-E280 WeakPolarHBondContact CA-OE1 3.24Å; S203-E280 WeakPolarHBondContact CA-OE2 3.45Å; S203-E280 WeakPolarHBondContact CB-OE1 3.14Å; S203-E280 WeakPolarHBondContact CB-OE2 3.14Å; S203-E280 PolarHBondContact OG-OE2 2.96Å; L204-E280 HydrophobicContact CB-CG 4.49Å; L204-E280 PolarHBondContact N-OE1 3.46Å; L205-E280 WeakPolarHBondContact CB-OE1 3.32Å; L205-E280 PolarHBondContact N-OE1 3.02Å; P278-E280 VanDerWaalsContact C-N 3.31Å; P278-E280 PolarHBondContact O-N 2.93Å; P278-E280 VanDerWaalsContact O-N 3.07Å; E280-D282 VanDerWaalsContact C-N 3.34Å; E280-D282 PolarHBondContact O-N 3.48Å
281	A	46	Very low	58.2	Low	95 Å²	95	82.4 Å²	82.4	79%	0.785	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-19.8	-172.3	0	0	0	0	0	115.3	P278	P278-A281 PolarHBondContact O-N 3.15Å
282	D	58.8	Low	61.4	Low	153 Å²	153	74.8 Å²	74.8	82%	0.818	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.6	59.1	-169.3	-153.8	8.6	0	0	0	112.8	E280 D284	E280-D282 VanDerWaalsContact C-N 3.34Å; E280-D282 PolarHBondContact O-N 3.48Å; D282-D284 PolarHBondContact O-N 3.07Å
283	I	68.4	Low	64.7	Low	27 Å²	27	71.2 Å²	71.2	14%	0.138	43%	0.43	C	S	.	.			trans	-84	96.1	168.3	-53.2	-178.7	0	0	0	108.2	Y149 T287	Y149-I283 HydrophobicContact CD1-CB 3.94Å; Y149-I283 HydrophobicContact CD1-CG2 3.53Å; Y149-I283 HydrophobicContact CD2-CG2 4.1Å; Y149-I283 HydrophobicContact CE1-CB 3.9Å; Y149-I283 HydrophobicContact CE1-CD1 4.45Å; Y149-I283 HydrophobicContact CE1-CG2 3.89Å; Y149-I283 HydrophobicContact CE2-CG2 4.42Å; Y149-I283 HydrophobicContact CG-CG2 3.65Å; I283-T287 HydrophobicContact CG2-CG2 4.02Å
284	D	75.4	Confident	67.7	Low	78 Å²	78	68.6 Å²	68.6	42%	0.417	40%	0.4	S	S	.	.			trans	-49.9	143.2	179.5	166.8	58.2	0	0	0	113	D282 T286 T287	D282-D284 PolarHBondContact O-N 3.07Å; D284-T286 PolarHBondContact O-N 3.04Å; D284-T286 WeakPolarHBondContact OD2-CA 3.49Å; D284-T286 WeakPolarHBondContact OD2-CB 3.11Å; D284-T286 WeakPolarHBondContact OD2-CG2 3.3Å; D284-T286 PolarHBondContact OD2-N 2.84Å; D284-T286 PolarHBondContact OD2-OG1 2.85Å; D284-T287 WeakPolarHBondContact O-CB 3.4Å; D284-T287 PolarHBondContact O-N 2.66Å; D284-T287 PolarHBondContact O-OG1 3.38Å
285	A	77.2	Confident	70.7	Confident	56 Å²	56	61.7 Å²	61.7	46%	0.463	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.8	-176.6	0	0	0	0	0	114.1	P148 Y149 G150 T287	P148-A285 CarbonylContact C-O 3.34Å; P148-A285 WeakPolarHBondContact CB-O 3.37Å; Y149-A285 PolarHBondContact N-O 3.33Å; G150-A285 PolarHBondContact N-O 2.89Å; A285-T287 VanDerWaalsContact C-N 3.31Å
286	T	84.2	Confident	73.4	Confident	98 Å²	98	59.5 Å²	59.5	60%	0.601	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-14.7	176.5	79.8	0	0	0	0	113.2	D284 T288	D284-T286 PolarHBondContact O-N 3.04Å; D284-T286 WeakPolarHBondContact OD2-CA 3.49Å; D284-T286 WeakPolarHBondContact OD2-CB 3.11Å; D284-T286 WeakPolarHBondContact OD2-CG2 3.3Å; D284-T286 PolarHBondContact OD2-N 2.84Å; D284-T286 PolarHBondContact OD2-OG1 2.85Å; T286-T288 PolarHBondContact O-N 3.31Å
287	T	84.9	Confident	75.9	Confident	8 Å²	8	59.6 Å²	59.6	5%	0.049	34%	0.34	C	S	.	.			trans	-55.9	122.9	-171.8	-63.6	0	0	0	0	113.7	P148 Y149 I283 D284 A285 R308 S309	P148-T287 CarbonylContact C-O 3.41Å; P148-T287 WeakPolarHBondContact CA-O 3.32Å; Y149-T287 WeakPolarHBondContact CB-O 3.49Å; Y149-T287 PolarHBondContact N-O 3.08Å; I283-T287 HydrophobicContact CG2-CG2 4.02Å; D284-T287 WeakPolarHBondContact O-CB 3.4Å; D284-T287 PolarHBondContact O-N 2.66Å; D284-T287 PolarHBondContact O-OG1 3.38Å; A285-T287 VanDerWaalsContact C-N 3.31Å; T287-R308 VanDerWaalsContact CG2-CD 3.5Å; T287-R308 HydrophobicContact CG2-CG 3.25Å; T287-S309 WeakPolarHBondContact CA-OG 3.18Å
288	T	87	Confident	78.4	Confident	32 Å²	32	56.4 Å²	56.4	20%	0.196	32%	0.319	C	S	.	.			trans	-105.8	155.1	170	54.1	0	0	0	0	111.4	P148 T286 R308 S309	P148-T288 HydrophobicContact CG-CG2 4.12Å; T286-T288 PolarHBondContact O-N 3.31Å; T288-R308 CarbonylContact O-C 3.21Å; T288-R308 VanDerWaalsContact O-CA 3.24Å; T288-R308 WeakPolarHBondContact O-CA 3.42Å; T288-S309 PolarHBondContact N-OG 3.5Å; T288-S309 PolarHBondContact O-N 2.87Å; T288-S309 WeakPolarHBondContact OG1-CB 3.27Å; T288-S309 PolarHBondContact OG1-OG 2.99Å
289	E	88.1	Confident	80.8	Confident	13 Å²	13	55.1 Å²	55.1	6%	0.061	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.5	172.6	-179.4	-176	168.3	0	0	109.5	S146 F200 L202 R300 S306	S146-E289 PolarHBondContact N-O 3.09Å; S146-E289 PolarHBondContact OG-N 3.46Å; F200-E289 HydrophobicContact CD1-CB 4.08Å; F200-E289 HydrophobicContact CD1-CG 4.26Å; F200-E289 HydrophobicContact CE1-CB 3.78Å; F200-E289 HydrophobicContact CE1-CG 3.73Å; L202-E289 WeakPolarHBondContact CD1-OE1 3.45Å; L202-E289 WeakPolarHBondContact CG-OE1 3.37Å; E289-R300 IonicContact OE1-CZ 3.6Å; E289-R300 IonicContact OE1-NH1 3.3Å; E289-R300 PolarHBondContact OE1-NH1 2.8Å; E289-S306 VanDerWaalsContact CG-OG 3.24Å; E289-S306 WeakPolarHBondContact CG-OG 3.48Å; E289-S306 PolarHBondContact OE1-OG 2.99Å
290	T	93.5	Very high	83.2	Confident	39 Å²	39	50.9 Å²	50.9	24%	0.239	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	123.9	174.6	-60.1	0	0	0	0	109.6	V143 R144 M292 S306 E307	V143-T290 HydrophobicContact CG1-CG2 4.05Å; R144-T290 CarbonylContact O-C 3.2Å; R144-T290 WeakPolarHBondContact O-CA 3.06Å; T290-M292 HydrophobicContact CG2-CG 4.23Å; T290-S306 CarbonylContact O-C 2.97Å; T290-S306 WeakPolarHBondContact O-CA 3.33Å; T290-E307 PolarHBondContact N-O 3.47Å; T290-E307 PolarHBondContact O-N 3.19Å
291	Y	95.2	Very high	85.3	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	135.5	170.9	177	-101	0	0	0	111.1	V143 R144 E294 W295 R300 V305 W318	V143-Y291 CarbonylContact C-O 3.46Å; V143-Y291 VanDerWaalsContact CA-O 3.27Å; V143-Y291 WeakPolarHBondContact CA-O 3.44Å; R144-Y291 PolarHBondContact N-O 2.96Å; R144-Y291 PolarHBondContact O-N 3.25Å; Y291-E294 PolarHBondContact OH-N 2.93Å; Y291-E294 PolarHBondContact OH-O 2.92Å; Y291-W295 AromaticContact CD1-CE2 3.64Å; Y291-W295 HydrophobicContact CD1-CH2 4.41Å; Y291-W295 AromaticContact CD1-CZ2 3.47Å; Y291-W295 HydrophobicContact CD1-CZ2 3.47Å; Y291-W295 VanDerWaalsContact CD1-CZ2 3.47Å; Y291-W295 AromaticContact CD1-NE1 3.59Å; Y291-W295 HydrophobicContact CE1-CD2 4.49Å; Y291-W295 AromaticContact CE1-CE2 3.74Å; Y291-W295 HydrophobicContact CE1-CZ2 4.02Å; Y291-W295 AromaticContact CE1-NE1 3.49Å; Y291-W295 HydrophobicContact CG-CZ2 4.43Å; Y291-R300 HydrophobicContact CD1-CG 3.85Å; Y291-R300 VanDerWaalsContact CD2-CD 3.43Å; Y291-R300 HydrophobicContact CD2-CG 4.23Å; Y291-R300 HydrophobicContact CE1-CB 4.06Å; Y291-R300 HydrophobicContact CE1-CG 3.78Å; Y291-R300 HydrophobicContact CE2-CB 4.26Å; Y291-R300 HydrophobicContact CE2-CG 4.2Å; Y291-R300 VanDerWaalsContact CG-CD 3.47Å; Y291-R300 HydrophobicContact CG-CG 4.04Å; Y291-V305 CarbonylContact C-O 3.53Å; Y291-V305 WeakPolarHBondContact CA-O 3.29Å; Y291-V305 WeakPolarHBondContact CD2-O 3.38Å; Y291-W318 AromaticContact CD2-CZ2 3.93Å; Y291-W318 HydrophobicContact CD2-CZ2 3.93Å; Y291-W318 AromaticContact CE2-CD1 3.99Å; Y291-W318 HydrophobicContact CE2-CD2 4.04Å; Y291-W318 AromaticContact CE2-CE2 3.52Å; Y291-W318 HydrophobicContact CE2-CG 4.25Å; Y291-W318 AromaticContact CE2-CZ2 3.8Å; Y291-W318 HydrophobicContact CE2-CZ2 3.8Å; Y291-W318 AromaticContact CE2-NE1 3.56Å
292	M	97.5	Very high	87.7	Confident	47 Å²	47	45.4 Å²	45.4	23%	0.232	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	114.3	174.3	-48.4	-173	106.1	0	0	108.9	V143 T290 G304 V305 V370 A373 Q374	V143-M292 HydrophobicContact CG1-CE 4.14Å; V143-M292 HydrophobicContact CG1-CG 4.23Å; V143-M292 HydrophobicContact CG2-CB 4.3Å; V143-M292 HydrophobicContact CG2-CE 3.62Å; V143-M292 HydrophobicContact CG2-CG 4.08Å; T290-M292 HydrophobicContact CG2-CG 4.23Å; M292-G304 CarbonylContact O-C 3.23Å; M292-G304 VanDerWaalsContact O-CA 3.23Å; M292-G304 WeakPolarHBondContact O-CA 3.49Å; M292-V305 PolarHBondContact N-O 2.85Å; M292-V305 PolarHBondContact O-N 3.23Å; M292-V370 HydrophobicContact CB-CG1 4.38Å; M292-V370 HydrophobicContact CB-CG2 4.23Å; M292-V370 HydrophobicContact SD-CG1 4.31Å; M292-A373 HydrophobicContact CB-CB 4.29Å; M292-Q374 HydrophobicContact CE-CG 3.53Å; M292-Q374 HydrophobicContact SD-CG 4.39Å
293	G	96.8	Very high	89.5	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.7	-152.2	177.3	0	0	0	0	0	114.2	G142 F303 A373	G142-G293 PolarHBondContact N-O 3.32Å; G142-G293 PolarHBondContact O-N 2.63Å; G293-F303 WeakPolarHBondContact CA-O 3.37Å; G293-A373 VanDerWaalsContact N-CB 3.28Å
294	E	97.6	Very high	90.8	Very high	49 Å²	49	38.1 Å²	38.1	23%	0.229	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	149.8	179.2	-76.6	163	-99.2	0	0	113.4	G140 Y141 Y291 S301 F303 S369	G140-E294 CarbonylContact O-C 3.53Å; G140-E294 WeakPolarHBondContact O-CA 3.39Å; Y141-E294 HydrophobicContact CD1-CG 3.93Å; Y141-E294 HydrophobicContact CE1-CG 3.59Å; Y291-E294 PolarHBondContact OH-N 2.93Å; Y291-E294 PolarHBondContact OH-O 2.92Å; E294-S301 CarbonylContact C-O 3.56Å; E294-S301 WeakPolarHBondContact CB-O 3.15Å; E294-S301 PolarHBondContact O-N 2.8Å; E294-F303 PolarHBondContact N-O 2.83Å; E294-F303 VanDerWaalsContact N-O 3.1Å; E294-F303 WeakPolarHBondContact OE1-CB 3.48Å; E294-F303 PolarHBondContact OE1-N 2.77Å; E294-S369 WeakPolarHBondContact OE1-CB 3.38Å; E294-S369 PolarHBondContact OE1-OG 2.85Å
295	W	95.3	Very high	91.8	Very high	9 Å²	9	35 Å²	35	3%	0.034	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	143.3	-177.5	-69.2	81.9	0	0	0	110.1	Y129 R138 H139 G140 G142 R144 Y291 D298 K299 R300	Y129-W295 HydrophobicContact CD2-CZ2 4.17Å; Y129-W295 AromaticContact CE2-CD1 3.91Å; Y129-W295 HydrophobicContact CE2-CD2 4.06Å; Y129-W295 AromaticContact CE2-CE2 3.67Å; Y129-W295 HydrophobicContact CE2-CG 4.2Å; Y129-W295 HydrophobicContact CE2-CZ2 4.15Å; Y129-W295 AromaticContact CE2-NE1 3.57Å; R138-W295 HydrophobicContact CB-CE3 4.39Å; H139-W295 CarbonylContact C-O 3.58Å; H139-W295 WeakPolarHBondContact CA-O 3.38Å; G140-W295 PolarHBondContact N-O 3.19Å; G140-W295 PolarHBondContact O-N 2.78Å; G142-W295 PolarHBondContact O-NE1 3.27Å; R144-W295 HydrophobicContact CB-CH2 4.03Å; R144-W295 HydrophobicContact CB-CZ2 3.66Å; Y291-W295 AromaticContact CD1-CE2 3.64Å; Y291-W295 HydrophobicContact CD1-CH2 4.41Å; Y291-W295 AromaticContact CD1-CZ2 3.47Å; Y291-W295 HydrophobicContact CD1-CZ2 3.47Å; Y291-W295 VanDerWaalsContact CD1-CZ2 3.47Å; Y291-W295 AromaticContact CD1-NE1 3.59Å; Y291-W295 HydrophobicContact CE1-CD2 4.49Å; Y291-W295 AromaticContact CE1-CE2 3.74Å; Y291-W295 HydrophobicContact CE1-CZ2 4.02Å; Y291-W295 AromaticContact CE1-NE1 3.49Å; Y291-W295 HydrophobicContact CG-CZ2 4.43Å; W295-D298 WeakPolarHBondContact CZ3-O 3.11Å; W295-K299 CarbonylContact C-O 3.57Å; W295-K299 VanDerWaalsContact CA-O 3.31Å; W295-K299 WeakPolarHBondContact CA-O 3Å; W295-K299 VanDerWaalsContact CE3-C 3.48Å; W295-R300 HydrophobicContact CE3-CG 4.5Å; W295-R300 HydrophobicContact CH2-CG 3.91Å; W295-R300 HydrophobicContact CZ2-CG 4.22Å; W295-R300 HydrophobicContact CZ3-CG 4.06Å
296	K	94.6	Very high	92.6	Very high	124 Å²	124	32.4 Å²	32.4	54%	0.539	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	118.4	172.8	-171.1	175.1	-178.5	178.8	0	109.4	D298 K299	K296-D298 PolarHBondContact O-N 2.69Å; K296-K299 PolarHBondContact N-O 3.42Å; K296-K299 PolarHBondContact O-N 2.82Å; K296-K299 VanDerWaalsContact O-N 3.07Å
297	N	88.8	Confident	93	Very high	77 Å²	77	32.2 Å²	32.2	41%	0.412	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	60.6	174.1	-57	2.4	0	0	0	111.9	M137 R138 H139 K299	M137-N297 HydrophobicContact CE-CB 4.45Å; M137-N297 HydrophobicContact SD-CB 3.95Å; R138-N297 PolarHBondContact O-N 2.8Å; H139-N297 PolarHBondContact ND1-OD1 3.19Å; N297-K299 PolarHBondContact O-N 3.35Å
298	D	87.8	Confident	93.2	Very high	19 Å²	19	32.7 Å²	32.7	10%	0.102	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	-2.4	-176.8	-67	-30.9	0	0	0	116.8	M137 R138 R197 W295 K296	M137-D298 WeakPolarHBondContact CA-OD1 3.38Å; R138-D298 IonicContact CZ-OD1 3.78Å; R138-D298 PolarHBondContact N-OD1 3.36Å; R138-D298 IonicContact NE-OD1 2.69Å; R138-D298 PolarHBondContact NH2-O 3.32Å; R138-D298 PolarHBondContact O-N 2.67Å; R197-D298 HydrophobicContact CG-CB 4.38Å; R197-D298 IonicContact CZ-OD1 2.7Å; R197-D298 IonicContact CZ-OD2 2.86Å; R197-D298 VanDerWaalsContact CZ-OD2 3.3Å; R197-D298 IonicContact NE-OD1 3.88Å; R197-D298 PolarHBondContact NE-OD1 3.32Å; R197-D298 IonicContact NE-OD2 2.66Å; R197-D298 PolarHBondContact NE-OD2 3.13Å; R197-D298 IonicContact NH2-OD1 2.7Å; R197-D298 PolarHBondContact NH2-OD1 2.87Å; R197-D298 IonicContact NH2-OD2 2.83Å; R197-D298 PolarHBondContact NH2-OD2 3.13Å; W295-D298 WeakPolarHBondContact CZ3-O 3.11Å; K296-D298 PolarHBondContact O-N 2.69Å
299	K	88.8	Confident	93.2	Very high	86 Å²	86	34.8 Å²	34.8	37%	0.374	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	148.8	-178.2	-53.8	175.1	-176.3	170.7	0	113.4	W295 K296 N297 D320 N321	W295-K299 CarbonylContact C-O 3.57Å; W295-K299 VanDerWaalsContact CA-O 3.31Å; W295-K299 WeakPolarHBondContact CA-O 3Å; W295-K299 VanDerWaalsContact CE3-C 3.48Å; K296-K299 PolarHBondContact N-O 3.42Å; K296-K299 PolarHBondContact O-N 2.82Å; K296-K299 VanDerWaalsContact O-N 3.07Å; N297-K299 PolarHBondContact O-N 3.35Å; K299-D320 HydrophobicContact CD-CB 4.08Å; K299-D320 WeakPolarHBondContact CD-OD1 3.35Å; K299-D320 WeakPolarHBondContact CE-OD1 3.19Å; K299-D320 IonicContact NZ-OD1 3.95Å; K299-D320 PolarHBondContact NZ-OD1 3.3Å; K299-N321 VanDerWaalsContact CA-OD1 3.29Å; K299-N321 WeakPolarHBondContact CA-OD1 3.39Å
300	R	92.3	Very high	93	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.015	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	132.2	165.8	-51.6	-178.3	-76	-152.6	2.5	109.2	E289 Y291 W295 W318 D320 N321	E289-R300 IonicContact OE1-CZ 3.6Å; E289-R300 IonicContact OE1-NH1 3.3Å; E289-R300 PolarHBondContact OE1-NH1 2.8Å; Y291-R300 HydrophobicContact CD1-CG 3.85Å; Y291-R300 VanDerWaalsContact CD2-CD 3.43Å; Y291-R300 HydrophobicContact CD2-CG 4.23Å; Y291-R300 HydrophobicContact CE1-CB 4.06Å; Y291-R300 HydrophobicContact CE1-CG 3.78Å; Y291-R300 HydrophobicContact CE2-CB 4.26Å; Y291-R300 HydrophobicContact CE2-CG 4.2Å; Y291-R300 VanDerWaalsContact CG-CD 3.47Å; Y291-R300 HydrophobicContact CG-CG 4.04Å; W295-R300 HydrophobicContact CE3-CG 4.5Å; W295-R300 HydrophobicContact CH2-CG 3.91Å; W295-R300 HydrophobicContact CZ2-CG 4.22Å; W295-R300 HydrophobicContact CZ3-CG 4.06Å; R300-W318 HydrophobicContact CB-CB 4.48Å; R300-W318 HydrophobicContact CB-CD2 4.42Å; R300-W318 HydrophobicContact CB-CE3 4.24Å; R300-W318 VanDerWaalsContact CZ-CZ3 3.41Å; R300-D320 PolarHBondContact O-N 2.99Å; R300-N321 PolarHBondContact N-OD1 2.94Å; R300-N321 PolarHBondContact NH2-O 3.38Å; R300-N321 PolarHBondContact O-N 2.92Å
301	S	93.5	Very high	92.6	Very high	13 Å²	13	36.6 Å²	36.6	9%	0.091	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	160.4	-177.8	-71.2	0	0	0	0	109	E294 W318	E294-S301 CarbonylContact C-O 3.56Å; E294-S301 WeakPolarHBondContact CB-O 3.15Å; E294-S301 PolarHBondContact O-N 2.8Å; S301-W318 CarbonylContact C-O 3.52Å; S301-W318 WeakPolarHBondContact CA-O 3.46Å
302	G	95.7	Very high	92.3	Very high	21 Å²	21	36.8 Å²	36.8	22%	0.216	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	79.5	-135	179.9	0	0	0	0	0	111.7	E317 W318	G302-E317 CarbonylContact O-C 3.54Å; G302-E317 WeakPolarHBondContact O-CA 3.32Å; G302-W318 PolarHBondContact N-O 2.8Å; G302-W318 PolarHBondContact O-N 3.09Å
303	F	97	Very high	92.1	Very high	28 Å²	28	38.8 Å²	38.8	12%	0.123	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	144.8	-179.4	-60.1	-97.9	0	0	0	111.5	G293 E294 E317 V362 K365 V366 S369	G293-F303 WeakPolarHBondContact CA-O 3.37Å; E294-F303 PolarHBondContact N-O 2.83Å; E294-F303 VanDerWaalsContact N-O 3.1Å; E294-F303 WeakPolarHBondContact OE1-CB 3.48Å; E294-F303 PolarHBondContact OE1-N 2.77Å; F303-E317 HydrophobicContact CD1-CG 3.78Å; F303-E317 HydrophobicContact CE1-CG 3.25Å; F303-E317 HydrophobicContact CZ-CG 3.67Å; F303-V362 HydrophobicContact CE1-CG1 4.33Å; F303-K365 HydrophobicContact CB-CB 4.38Å; F303-K365 HydrophobicContact CD1-CB 3.63Å; F303-K365 HydrophobicContact CD1-CD 4.19Å; F303-K365 HydrophobicContact CD2-CB 4.14Å; F303-K365 HydrophobicContact CD2-CD 4.05Å; F303-K365 HydrophobicContact CE1-CB 3.92Å; F303-K365 HydrophobicContact CE1-CD 3.68Å; F303-K365 HydrophobicContact CE1-CG 4.48Å; F303-K365 HydrophobicContact CE2-CB 4.44Å; F303-K365 HydrophobicContact CE2-CD 3.58Å; F303-K365 HydrophobicContact CG-CB 3.77Å; F303-K365 HydrophobicContact CG-CD 4.38Å; F303-K365 HydrophobicContact CZ-CB 4.36Å; F303-K365 HydrophobicContact CZ-CD 3.38Å; F303-V366 HydrophobicContact CB-CG2 4.15Å; F303-V366 HydrophobicContact CD1-CG2 4.07Å; F303-S369 VanDerWaalsContact O-CB 3.32Å; F303-S369 WeakPolarHBondContact O-CB 3.34Å
304	G	96.4	Very high	91.9	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.6	171.8	177	0	0	0	0	0	114.9	M292 G316 W318	M292-G304 CarbonylContact O-C 3.23Å; M292-G304 VanDerWaalsContact O-CA 3.23Å; M292-G304 WeakPolarHBondContact O-CA 3.49Å; G304-G316 PolarHBondContact N-O 3.48Å; G304-G316 VanDerWaalsContact N-O 3.08Å; G304-G316 PolarHBondContact O-N 3.01Å; G304-W318 PolarHBondContact O-NE1 2.76Å
305	V	96.1	Very high	91.7	Very high	12 Å²	12	38.4 Å²	38.4	7%	0.073	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	135.7	176.5	178.2	0	0	0	0	109.5	Y291 M292 E307 R313 Y314 E315 V366 V370	Y291-V305 CarbonylContact C-O 3.53Å; Y291-V305 WeakPolarHBondContact CA-O 3.29Å; Y291-V305 WeakPolarHBondContact CD2-O 3.38Å; M292-V305 PolarHBondContact N-O 2.85Å; M292-V305 PolarHBondContact O-N 3.23Å; V305-E307 HydrophobicContact CG1-CB 4.47Å; V305-R313 HydrophobicContact CG1-CG 4.01Å; V305-Y314 CarbonylContact C-O 3.6Å; V305-Y314 VanDerWaalsContact CA-O 3.23Å; V305-Y314 WeakPolarHBondContact CA-O 3.46Å; V305-E315 HydrophobicContact CG2-CB 3.94Å; V305-V366 HydrophobicContact CG2-CG1 3.51Å; V305-V370 HydrophobicContact CB-CG2 4.08Å; V305-V370 HydrophobicContact CG2-CG2 3.61Å
306	S	93.1	Very high	91.6	Very high	1 Å²	1	38 Å²	38	1%	0.007	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	130.7	158.4	-174.7	0	0	0	0	108.9	E289 T290 R313 Y314	E289-S306 VanDerWaalsContact CG-OG 3.24Å; E289-S306 WeakPolarHBondContact CG-OG 3.48Å; E289-S306 PolarHBondContact OE1-OG 2.99Å; T290-S306 CarbonylContact O-C 2.97Å; T290-S306 WeakPolarHBondContact O-CA 3.33Å; S306-R313 CarbonylContact O-C 3.55Å; S306-R313 WeakPolarHBondContact O-CA 3.34Å; S306-Y314 PolarHBondContact N-O 3.49Å; S306-Y314 PolarHBondContact O-N 3.2Å
307	E	92.6	Very high	91.6	Very high	95 Å²	95	34.4 Å²	34.4	44%	0.444	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	129.9	-179.6	-168.2	166.3	134.9	0	0	109.9	T290 V305 R313	T290-E307 PolarHBondContact N-O 3.47Å; T290-E307 PolarHBondContact O-N 3.19Å; V305-E307 HydrophobicContact CG1-CB 4.47Å; E307-R313 HydrophobicContact CG-CB 4.39Å; E307-R313 IonicContact OE2-CZ 4Å; E307-R313 IonicContact OE2-NH1 3.07Å; E307-R313 PolarHBondContact OE2-NH1 2.99Å; E307-R313 VanDerWaalsContact OE2-NH1 3.07Å
308	R	89.3	Confident	91.9	Very high	17 Å²	17	31.1 Å²	31.1	6%	0.064	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	140	-177.3	-173.4	-170.4	-81.5	-174.8	0.8	109.1	L202 T287 T288 S310 G311 L312	L202-R308 PolarHBondContact O-NH2 3.27Å; T287-R308 VanDerWaalsContact CG2-CD 3.5Å; T287-R308 HydrophobicContact CG2-CG 3.25Å; T288-R308 CarbonylContact O-C 3.21Å; T288-R308 VanDerWaalsContact O-CA 3.24Å; T288-R308 WeakPolarHBondContact O-CA 3.42Å; R308-S310 WeakPolarHBondContact CD-OG 3.43Å; R308-S310 PolarHBondContact O-N 3.14Å; R308-G311 PolarHBondContact O-N 3.21Å; R308-L312 HydrophobicContact CB-CB 4Å; R308-L312 WeakPolarHBondContact CB-O 3.31Å; R308-L312 PolarHBondContact N-O 3.28Å
309	S	88.6	Confident	92.1	Very high	76 Å²	76	33.9 Å²	33.9	53%	0.531	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-11.7	179.5	65.5	0	0	0	0	114.5	T287 T288 G311	T287-S309 WeakPolarHBondContact CA-OG 3.18Å; T288-S309 PolarHBondContact N-OG 3.5Å; T288-S309 PolarHBondContact O-N 2.87Å; T288-S309 WeakPolarHBondContact OG1-CB 3.27Å; T288-S309 PolarHBondContact OG1-OG 2.99Å; S309-G311 PolarHBondContact O-N 3.43Å
310	S	83.8	Confident	92.1	Very high	49 Å²	49	33.4 Å²	33.4	34%	0.343	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	8.4	168.8	85.8	0	0	0	0	113.9	R308 L312 P332	R308-S310 WeakPolarHBondContact CD-OG 3.43Å; R308-S310 PolarHBondContact O-N 3.14Å; S310-L312 PolarHBondContact O-N 3.24Å; S310-P332 VanDerWaalsContact O-CB 3.27Å; S310-P332 WeakPolarHBondContact O-CB 3.49Å; S310-P332 WeakPolarHBondContact O-CG 3.39Å
311	G	84.9	Confident	91.9	Very high	41 Å²	41	34.9 Å²	34.9	42%	0.423	20%	0.196	S	C	.	.	S	Bend	trans	86.5	-8.8	-178.5	0	0	0	0	0	116.1	R308 S309 R313	R308-G311 PolarHBondContact O-N 3.21Å; S309-G311 PolarHBondContact O-N 3.43Å; G311-R313 PolarHBondContact O-N 3.45Å
312	L	88.4	Confident	91.6	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.026	21%	0.207	C	C	.	.			trans	-70.3	123	175.7	-179.1	75	0	0	0	110.4	F279 R308 S310 T329 L331 P332	F279-L312 HydrophobicContact CE1-CD1 4.46Å; R308-L312 HydrophobicContact CB-CB 4Å; R308-L312 WeakPolarHBondContact CB-O 3.31Å; R308-L312 PolarHBondContact N-O 3.28Å; S310-L312 PolarHBondContact O-N 3.24Å; L312-T329 HydrophobicContact CD1-CG2 3.78Å; L312-L331 HydrophobicContact CD1-CD2 3.73Å; L312-P332 HydrophobicContact CB-CG 4.46Å
313	R	92.5	Very high	91.3	Very high	89 Å²	89	37 Å²	37	34%	0.336	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	144.4	178.3	173.4	174	160.7	145	-12.4	111.2	V305 S306 E307 G311 E315 T329 T330	V305-R313 HydrophobicContact CG1-CG 4.01Å; S306-R313 CarbonylContact O-C 3.55Å; S306-R313 WeakPolarHBondContact O-CA 3.34Å; E307-R313 HydrophobicContact CG-CB 4.39Å; E307-R313 IonicContact OE2-CZ 4Å; E307-R313 IonicContact OE2-NH1 3.07Å; E307-R313 PolarHBondContact OE2-NH1 2.99Å; E307-R313 VanDerWaalsContact OE2-NH1 3.07Å; G311-R313 PolarHBondContact O-N 3.45Å; R313-E315 IonicContact CZ-OE2 3.4Å; R313-E315 IonicContact NE-OE2 3.1Å; R313-E315 PolarHBondContact NE-OE2 2.82Å; R313-E315 VanDerWaalsContact NE-OE2 3.1Å; R313-E315 IonicContact NH2-OE2 2.78Å; R313-E315 PolarHBondContact NH2-OE2 3.32Å; R313-T329 CarbonylContact O-C 3.46Å; R313-T329 WeakPolarHBondContact O-CA 3.24Å; R313-T330 PolarHBondContact N-O 2.85Å; R313-T330 PolarHBondContact O-N 3.2Å
314	Y	92.5	Very high	91	Very high	3 Å²	3	38.3 Å²	38.3	1%	0.012	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.4	165.3	172.8	-98.5	0	0	0	110.2	V305 S306 E317 W318 R323 H324 C328 T329 Y341	V305-Y314 CarbonylContact C-O 3.6Å; V305-Y314 VanDerWaalsContact CA-O 3.23Å; V305-Y314 WeakPolarHBondContact CA-O 3.46Å; S306-Y314 PolarHBondContact N-O 3.49Å; S306-Y314 PolarHBondContact O-N 3.2Å; Y314-E317 PolarHBondContact OH-N 3.24Å; Y314-E317 PolarHBondContact OH-O 3.03Å; Y314-W318 AromaticContact CD1-CE2 3.66Å; Y314-W318 HydrophobicContact CD1-CH2 4.11Å; Y314-W318 AromaticContact CD1-CZ2 3.43Å; Y314-W318 HydrophobicContact CD1-CZ2 3.43Å; Y314-W318 VanDerWaalsContact CD1-CZ2 3.43Å; Y314-W318 AromaticContact CD1-NE1 3.84Å; Y314-W318 HydrophobicContact CE1-CD2 4.27Å; Y314-W318 AromaticContact CE1-CE2 3.68Å; Y314-W318 AromaticContact CE1-CZ2 3.94Å; Y314-W318 HydrophobicContact CE1-CZ2 3.94Å; Y314-W318 AromaticContact CE1-NE1 3.63Å; Y314-R323 HydrophobicContact CD1-CG 3.89Å; Y314-R323 VanDerWaalsContact CD2-CD 3.47Å; Y314-R323 HydrophobicContact CD2-CG 4.2Å; Y314-R323 HydrophobicContact CE1-CB 4.03Å; Y314-R323 HydrophobicContact CE1-CG 3.79Å; Y314-R323 HydrophobicContact CE2-CB 4.14Å; Y314-R323 HydrophobicContact CE2-CG 4.11Å; Y314-R323 HydrophobicContact CG-CG 4.07Å; Y314-H324 PolarHBondContact OH-O 3.25Å; Y314-C328 CarbonylContact C-O 3.59Å; Y314-C328 VanDerWaalsContact CA-O 3.29Å; Y314-C328 WeakPolarHBondContact CA-O 3.35Å; Y314-C328 VanDerWaalsContact CD2-O 3.23Å; Y314-C328 WeakPolarHBondContact CD2-O 3.36Å; Y314-T329 WeakPolarHBondContact CD2-OG1 3.49Å; Y314-Y341 HydrophobicContact CD2-CE2 4.44Å; Y314-Y341 HydrophobicContact CE2-CD1 4.38Å; Y314-Y341 AromaticContact CE2-CD2 3.79Å; Y314-Y341 HydrophobicContact CE2-CD2 3.79Å; Y314-Y341 HydrophobicContact CE2-CE1 4.28Å; Y314-Y341 AromaticContact CE2-CE2 3.7Å; Y314-Y341 HydrophobicContact CE2-CE2 3.7Å; Y314-Y341 HydrophobicContact CE2-CG 4.15Å; Y314-Y341 AromaticContact CE2-CZ 3.96Å
315	E	94.5	Very high	90.7	Very high	37 Å²	37	38.6 Å²	38.6	17%	0.173	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	117.7	178	57.9	-166.9	-166.3	0	0	109	V305 R313 G327 C328 R336 V366	V305-E315 HydrophobicContact CG2-CB 3.94Å; R313-E315 IonicContact CZ-OE2 3.4Å; R313-E315 IonicContact NE-OE2 3.1Å; R313-E315 PolarHBondContact NE-OE2 2.82Å; R313-E315 VanDerWaalsContact NE-OE2 3.1Å; R313-E315 IonicContact NH2-OE2 2.78Å; R313-E315 PolarHBondContact NH2-OE2 3.32Å; E315-G327 CarbonylContact O-C 3.55Å; E315-G327 WeakPolarHBondContact O-CA 3.33Å; E315-C328 HydrophobicContact CG-CB 3.75Å; E315-C328 PolarHBondContact N-O 3.21Å; E315-C328 PolarHBondContact O-N 2.73Å; E315-R336 IonicContact OE1-CZ 4Å; E315-R336 IonicContact OE1-NH2 2.98Å; E315-R336 PolarHBondContact OE1-NH2 3.16Å; E315-V366 HydrophobicContact CB-CG1 4.23Å
316	G	93.5	Very high	90.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.7	-157.9	-175	0	0	0	0	0	116.1	G304 W318 Y326	G304-G316 PolarHBondContact N-O 3.48Å; G304-G316 VanDerWaalsContact N-O 3.08Å; G304-G316 PolarHBondContact O-N 3.01Å; G316-W318 VanDerWaalsContact O-CD1 3.3Å; G316-Y326 WeakPolarHBondContact CA-O 3.46Å
317	E	94.7	Very high	90.3	Very high	50 Å²	50	42.4 Å²	42.4	23%	0.234	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	143.3	177.4	-75	172.5	-101.1	0	0	112.9	G302 F303 Y314 H324 Y326	G302-E317 CarbonylContact O-C 3.54Å; G302-E317 WeakPolarHBondContact O-CA 3.32Å; F303-E317 HydrophobicContact CD1-CG 3.78Å; F303-E317 HydrophobicContact CE1-CG 3.25Å; F303-E317 HydrophobicContact CZ-CG 3.67Å; Y314-E317 PolarHBondContact OH-N 3.24Å; Y314-E317 PolarHBondContact OH-O 3.03Å; E317-H324 WeakPolarHBondContact CB-O 3.38Å; E317-H324 PolarHBondContact O-N 2.97Å; E317-H324 VanDerWaalsContact O-O 3.12Å; E317-Y326 PolarHBondContact N-O 2.85Å; E317-Y326 PolarHBondContact OE1-N 2.75Å
318	W	93.5	Very high	90.3	Very high	8 Å²	8	38.1 Å²	38.1	3%	0.03	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144.3	-178.6	-66	84.7	0	0	0	111	L202 Y291 R300 S301 G302 G304 Y314 G316 N321 L322 R323	L202-W318 HydrophobicContact CD2-CH2 4.27Å; Y291-W318 AromaticContact CD2-CZ2 3.93Å; Y291-W318 HydrophobicContact CD2-CZ2 3.93Å; Y291-W318 AromaticContact CE2-CD1 3.99Å; Y291-W318 HydrophobicContact CE2-CD2 4.04Å; Y291-W318 AromaticContact CE2-CE2 3.52Å; Y291-W318 HydrophobicContact CE2-CG 4.25Å; Y291-W318 AromaticContact CE2-CZ2 3.8Å; Y291-W318 HydrophobicContact CE2-CZ2 3.8Å; Y291-W318 AromaticContact CE2-NE1 3.56Å; R300-W318 HydrophobicContact CB-CB 4.48Å; R300-W318 HydrophobicContact CB-CD2 4.42Å; R300-W318 HydrophobicContact CB-CE3 4.24Å; R300-W318 VanDerWaalsContact CZ-CZ3 3.41Å; S301-W318 CarbonylContact C-O 3.52Å; S301-W318 WeakPolarHBondContact CA-O 3.46Å; G302-W318 PolarHBondContact N-O 2.8Å; G302-W318 PolarHBondContact O-N 3.09Å; G304-W318 PolarHBondContact O-NE1 2.76Å; Y314-W318 AromaticContact CD1-CE2 3.66Å; Y314-W318 HydrophobicContact CD1-CH2 4.11Å; Y314-W318 AromaticContact CD1-CZ2 3.43Å; Y314-W318 HydrophobicContact CD1-CZ2 3.43Å; Y314-W318 VanDerWaalsContact CD1-CZ2 3.43Å; Y314-W318 AromaticContact CD1-NE1 3.84Å; Y314-W318 HydrophobicContact CE1-CD2 4.27Å; Y314-W318 AromaticContact CE1-CE2 3.68Å; Y314-W318 AromaticContact CE1-CZ2 3.94Å; Y314-W318 HydrophobicContact CE1-CZ2 3.94Å; Y314-W318 AromaticContact CE1-NE1 3.63Å; G316-W318 VanDerWaalsContact O-CD1 3.3Å; W318-N321 WeakPolarHBondContact CZ3-O 3.39Å; W318-L322 WeakPolarHBondContact CA-O 3.32Å; W318-R323 HydrophobicContact CH2-CG 4.41Å; W318-R323 HydrophobicContact CZ3-CG 4.22Å
319	L	92.6	Very high	90.2	Very high	77 Å²	77	37.5 Å²	37.5	40%	0.403	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	123.7	173.1	-176.9	63.4	0	0	0	109	N321 L322 H324	L319-N321 VanDerWaalsContact C-N 3.35Å; L319-N321 PolarHBondContact O-N 2.87Å; L319-L322 PolarHBondContact N-O 2.94Å; L319-L322 WeakPolarHBondContact O-CB 3.32Å; L319-L322 PolarHBondContact O-N 3.45Å; L319-H324 HydrophobicContact CB-CB 3.81Å
320	D	88.2	Confident	90.3	Very high	75 Å²	75	35.1 Å²	35.1	40%	0.401	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	47.7	175.8	-70.9	-81.5	0	0	0	114.6	K299 R300 L322	K299-D320 HydrophobicContact CD-CB 4.08Å; K299-D320 WeakPolarHBondContact CD-OD1 3.35Å; K299-D320 WeakPolarHBondContact CE-OD1 3.19Å; K299-D320 IonicContact NZ-OD1 3.95Å; K299-D320 PolarHBondContact NZ-OD1 3.3Å; R300-D320 PolarHBondContact O-N 2.99Å; D320-L322 PolarHBondContact O-N 3.31Å
321	N	87.9	Confident	90.4	Very high	36 Å²	36	34.2 Å²	34.2	19%	0.193	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	-7.2	-173	-59.2	-48.4	0	0	0	117.2	K299 R300 W318 L319	K299-N321 VanDerWaalsContact CA-OD1 3.29Å; K299-N321 WeakPolarHBondContact CA-OD1 3.39Å; R300-N321 PolarHBondContact N-OD1 2.94Å; R300-N321 PolarHBondContact NH2-O 3.38Å; R300-N321 PolarHBondContact O-N 2.92Å; W318-N321 WeakPolarHBondContact CZ3-O 3.39Å; L319-N321 VanDerWaalsContact C-N 3.35Å; L319-N321 PolarHBondContact O-N 2.87Å
322	L	87.9	Confident	90.5	Very high	62 Å²	62	35.3 Å²	35.3	33%	0.325	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	149.9	-177.8	-54.3	174.6	0	0	0	112.2	W318 L319 D320 H324 H343 N344	W318-L322 WeakPolarHBondContact CA-O 3.32Å; L319-L322 PolarHBondContact N-O 2.94Å; L319-L322 WeakPolarHBondContact O-CB 3.32Å; L319-L322 PolarHBondContact O-N 3.45Å; D320-L322 PolarHBondContact O-N 3.31Å; L322-H324 PolarHBondContact O-N 2.96Å; L322-H343 HydrophobicContact CD1-CB 4.12Å; L322-N344 VanDerWaalsContact CA-OD1 3.32Å; L322-N344 WeakPolarHBondContact CA-OD1 3.29Å
323	R	90.1	Very high	90.3	Very high	15 Å²	15	41 Å²	41	6%	0.057	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	130	167	-53	-177.5	-72.4	-173	-1.5	109.1	L204 Y314 W318 T329 Y341 H343 N344	L204-R323 VanDerWaalsContact CD2-NH2 3.32Å; Y314-R323 HydrophobicContact CD1-CG 3.89Å; Y314-R323 VanDerWaalsContact CD2-CD 3.47Å; Y314-R323 HydrophobicContact CD2-CG 4.2Å; Y314-R323 HydrophobicContact CE1-CB 4.03Å; Y314-R323 HydrophobicContact CE1-CG 3.79Å; Y314-R323 HydrophobicContact CE2-CB 4.14Å; Y314-R323 HydrophobicContact CE2-CG 4.11Å; Y314-R323 HydrophobicContact CG-CG 4.07Å; W318-R323 HydrophobicContact CH2-CG 4.41Å; W318-R323 HydrophobicContact CZ3-CG 4.22Å; R323-T329 PolarHBondContact NH1-OG1 3Å; R323-Y341 HydrophobicContact CB-CD1 3.97Å; R323-Y341 HydrophobicContact CB-CG 4.17Å; R323-H343 PolarHBondContact O-N 2.85Å; R323-N344 PolarHBondContact N-OD1 3.37Å; R323-N344 PolarHBondContact NE-O 3Å; R323-N344 PolarHBondContact NH2-O 3.37Å; R323-N344 PolarHBondContact O-N 3.03Å; R323-N344 VanDerWaalsContact O-N 3.13Å
324	H	89.4	Confident	89.9	Confident	57 Å²	57	39.1 Å²	39.1	26%	0.264	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	-177.5	-176.4	-161	83	0	0	0	110.3	Y314 E317 L319 L322 Y326 Y341	Y314-H324 PolarHBondContact OH-O 3.25Å; E317-H324 WeakPolarHBondContact CB-O 3.38Å; E317-H324 PolarHBondContact O-N 2.97Å; E317-H324 VanDerWaalsContact O-O 3.12Å; L319-H324 HydrophobicContact CB-CB 3.81Å; L322-H324 PolarHBondContact O-N 2.96Å; H324-Y326 PolarHBondContact O-N 2.78Å; H324-Y341 CarbonylContact C-O 3.48Å; H324-Y341 WeakPolarHBondContact CA-O 3.44Å
325	G	90.2	Very high	89.6	Confident	6 Å²	6	43.8 Å²	43.8	6%	0.062	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	56.8	-133	167	0	0	0	0	0	112.6	K340 Y341	G325-K340 CarbonylContact O-C 3.51Å; G325-K340 WeakPolarHBondContact O-CA 3.48Å; G325-K340 WeakPolarHBondContact O-CG 3.3Å; G325-Y341 PolarHBondContact N-O 3.13Å; G325-Y341 VanDerWaalsContact N-O 3.16Å; G325-Y341 PolarHBondContact O-N 3.17Å
326	Y	91.3	Very high	89.3	Confident	80 Å²	80	47.3 Å²	47.3	31%	0.314	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	146.5	170.4	-69.2	-89.5	0	0	0	111.8	G316 E317 H324 G339 K340	G316-Y326 WeakPolarHBondContact CA-O 3.46Å; E317-Y326 PolarHBondContact N-O 2.85Å; E317-Y326 PolarHBondContact OE1-N 2.75Å; H324-Y326 PolarHBondContact O-N 2.78Å; Y326-G339 WeakPolarHBondContact CA-O 3.25Å; Y326-K340 HydrophobicContact CD1-CB 4.31Å; Y326-K340 HydrophobicContact CE1-CB 4.12Å
327	G	90.9	Very high	89	Confident	12 Å²	12	49.9 Å²	49.9	12%	0.124	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.5	-179.5	173.6	0	0	0	0	0	113.4	E315 E338 G339	E315-G327 CarbonylContact O-C 3.55Å; E315-G327 WeakPolarHBondContact O-CA 3.33Å; G327-E338 WeakPolarHBondContact O-CA 3.25Å; G327-G339 PolarHBondContact N-O 2.95Å; G327-G339 PolarHBondContact O-N 3.05Å
328	C	90.8	Very high	88.7	Confident	5 Å²	5	52.1 Å²	52.1	3%	0.034	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	135	172.9	179.9	0	0	0	0	109.4	Y314 E315 R336 E337 E338	Y314-C328 CarbonylContact C-O 3.59Å; Y314-C328 VanDerWaalsContact CA-O 3.29Å; Y314-C328 WeakPolarHBondContact CA-O 3.35Å; Y314-C328 VanDerWaalsContact CD2-O 3.23Å; Y314-C328 WeakPolarHBondContact CD2-O 3.36Å; E315-C328 HydrophobicContact CG-CB 3.75Å; E315-C328 PolarHBondContact N-O 3.21Å; E315-C328 PolarHBondContact O-N 2.73Å; C328-R336 PolarHBondContact SG-NH2 2.74Å; C328-E337 WeakPolarHBondContact CA-O 3.41Å; C328-E338 HydrophobicContact CB-CG 3.85Å
329	T	88.6	Confident	88.3	Confident	4 Å²	4	52.9 Å²	52.9	3%	0.025	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	123.8	158.8	-87	0	0	0	0	109.4	L312 R313 Y314 R323 L331 R336 E337	L312-T329 HydrophobicContact CD1-CG2 3.78Å; R313-T329 CarbonylContact O-C 3.46Å; R313-T329 WeakPolarHBondContact O-CA 3.24Å; Y314-T329 WeakPolarHBondContact CD2-OG1 3.49Å; R323-T329 PolarHBondContact NH1-OG1 3Å; T329-L331 HydrophobicContact CG2-CD2 4.16Å; T329-L331 HydrophobicContact CG2-CG 4.44Å; T329-R336 CarbonylContact O-C 3.57Å; T329-R336 WeakPolarHBondContact O-CA 3.07Å; T329-E337 PolarHBondContact N-O 3Å; T329-E337 PolarHBondContact O-N 3.37Å
330	T	89	Confident	88.2	Confident	27 Å²	27	54.6 Å²	54.6	17%	0.166	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	123.9	165.7	-51	0	0	0	0	107.9	R313 H335 R336	R313-T330 PolarHBondContact N-O 2.85Å; R313-T330 PolarHBondContact O-N 3.2Å; T330-H335 CarbonylContact C-O 3.55Å; T330-H335 WeakPolarHBondContact CA-O 3.37Å; T330-R336 HydrophobicContact CG2-CG 3.94Å
331	L	87.8	Confident	88.2	Confident	30 Å²	30	51 Å²	51	16%	0.157	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-82.8	162.1	175.3	-68.8	173.4	0	0	0	110.7	F279 L312 T329 D333 G334 H335	F279-L331 HydrophobicContact CD1-CD2 4.42Å; F279-L331 HydrophobicContact CE1-CD2 4.11Å; F279-L331 HydrophobicContact CE2-CD2 4.36Å; F279-L331 HydrophobicContact CZ-CD2 4.09Å; L312-L331 HydrophobicContact CD1-CD2 3.73Å; T329-L331 HydrophobicContact CG2-CD2 4.16Å; T329-L331 HydrophobicContact CG2-CG 4.44Å; L331-D333 WeakPolarHBondContact CB-OD1 3.42Å; L331-D333 PolarHBondContact O-N 3.32Å; L331-G334 WeakPolarHBondContact O-CA 3.29Å; L331-G334 PolarHBondContact O-N 3.02Å; L331-H335 HydrophobicContact CB-CB 4.44Å; L331-H335 HydrophobicContact CD1-CB 4.26Å; L331-H335 PolarHBondContact N-O 2.79Å
332	P	85.8	Confident	88.2	Confident	64 Å²	64	57 Å²	57	42%	0.416	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.8	-179.8	-27.4	37.6	0	0	0	115.7	F279 S310 L312 G334	F279-P332 HydrophobicContact CE1-CG 4.42Å; F279-P332 HydrophobicContact CZ-CG 3.98Å; S310-P332 VanDerWaalsContact O-CB 3.27Å; S310-P332 WeakPolarHBondContact O-CB 3.49Å; S310-P332 WeakPolarHBondContact O-CG 3.39Å; L312-P332 HydrophobicContact CB-CG 4.46Å; P332-G334 VanDerWaalsContact C-N 3.25Å
333	D	85.7	Confident	88.1	Confident	125 Å²	125	57.9 Å²	57.9	67%	0.668	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-3.8	174	63.8	-6.8	0	0	0	113.4	L331 H335	L331-D333 WeakPolarHBondContact CB-OD1 3.42Å; L331-D333 PolarHBondContact O-N 3.32Å; D333-H335 VanDerWaalsContact OD1-CB 3.26Å; D333-H335 WeakPolarHBondContact OD1-CB 3.43Å; D333-H335 PolarHBondContact OD1-N 3.43Å
334	G	83.8	Confident	87.8	Confident	48 Å²	48	57.7 Å²	57.7	50%	0.495	29%	0.29	S	S	.	.	S	Bend	trans	86.1	-0.9	-174.9	0	0	0	0	0	114.9	L331 P332	L331-G334 WeakPolarHBondContact O-CA 3.29Å; L331-G334 PolarHBondContact O-N 3.02Å; P332-G334 VanDerWaalsContact C-N 3.25Å
335	H	86.4	Confident	87.5	Confident	102 Å²	102	58.5 Å²	58.5	47%	0.472	30%	0.299	S	S	.	.			trans	-67.5	140.4	176.2	-179.5	-100	0	0	0	111	T330 L331 D333	T330-H335 CarbonylContact C-O 3.55Å; T330-H335 WeakPolarHBondContact CA-O 3.37Å; L331-H335 HydrophobicContact CB-CB 4.44Å; L331-H335 HydrophobicContact CD1-CB 4.26Å; L331-H335 PolarHBondContact N-O 2.79Å; D333-H335 VanDerWaalsContact OD1-CB 3.26Å; D333-H335 WeakPolarHBondContact OD1-CB 3.43Å; D333-H335 PolarHBondContact OD1-N 3.43Å
336	R	87.4	Confident	87.2	Confident	111 Å²	111	59.6 Å²	59.6	42%	0.419	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	114.4	-171.7	-70	-177.6	74.8	-102.3	0	112.7	E315 C328 T329 T330 E338	E315-R336 IonicContact OE1-CZ 4Å; E315-R336 IonicContact OE1-NH2 2.98Å; E315-R336 PolarHBondContact OE1-NH2 3.16Å; C328-R336 PolarHBondContact SG-NH2 2.74Å; T329-R336 CarbonylContact O-C 3.57Å; T329-R336 WeakPolarHBondContact O-CA 3.07Å; T330-R336 HydrophobicContact CG2-CG 3.94Å; R336-E338 IonicContact CZ-OE1 3.25Å; R336-E338 VanDerWaalsContact CZ-OE1 3.25Å; R336-E338 IonicContact NH1-OE1 2.7Å; R336-E338 PolarHBondContact NH1-OE1 2.96Å; R336-E338 IonicContact NH2-OE1 2.96Å; R336-E338 PolarHBondContact NH2-OE1 3.26Å
337	E	86.7	Confident	86.9	Confident	53 Å²	53	59.5 Å²	59.5	25%	0.248	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	86.8	177.7	-67.6	-146.4	116.5	0	0	111.8	C328 T329 Y341 L346 K348	C328-E337 WeakPolarHBondContact CA-O 3.41Å; T329-E337 PolarHBondContact N-O 3Å; T329-E337 PolarHBondContact O-N 3.37Å; E337-Y341 PolarHBondContact O-OH 3.36Å; E337-L346 HydrophobicContact CB-CD2 3.82Å; E337-L346 HydrophobicContact CG-CD2 4.5Å; E337-K348 WeakPolarHBondContact OE1-CE 3.29Å; E337-K348 IonicContact OE1-NZ 3.96Å; E337-K348 PolarHBondContact OE1-NZ 2.95Å
338	E	88	Confident	85.7	Confident	98 Å²	98	66 Å²	66	46%	0.458	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	136.8	174.5	-60.9	-161.7	176.3	0	0	112.6	G327 C328 R336	G327-E338 WeakPolarHBondContact O-CA 3.25Å; C328-E338 HydrophobicContact CB-CG 3.85Å; R336-E338 IonicContact CZ-OE1 3.25Å; R336-E338 VanDerWaalsContact CZ-OE1 3.25Å; R336-E338 IonicContact NH1-OE1 2.7Å; R336-E338 PolarHBondContact NH1-OE1 2.96Å; R336-E338 IonicContact NH2-OE1 2.96Å; R336-E338 PolarHBondContact NH2-OE1 3.26Å
339	G	86.9	Confident	83.9	Confident	24 Å²	24	68.9 Å²	68.9	25%	0.247	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.6	-154.9	170.1	0	0	0	0	0	114.7	Y326 G327	Y326-G339 WeakPolarHBondContact CA-O 3.25Å; G327-G339 PolarHBondContact N-O 2.95Å; G327-G339 PolarHBondContact O-N 3.05Å
340	K	89.9	Confident	81.8	Confident	112 Å²	112	75.3 Å²	75.3	49%	0.487	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	121	-180	-167.6	-174.6	179.3	179.2	0	110.5	G325 Y326 V347	G325-K340 CarbonylContact O-C 3.51Å; G325-K340 WeakPolarHBondContact O-CA 3.48Å; G325-K340 WeakPolarHBondContact O-CG 3.3Å; Y326-K340 HydrophobicContact CD1-CB 4.31Å; Y326-K340 HydrophobicContact CE1-CB 4.12Å; K340-V347 WeakPolarHBondContact O-CB 3.31Å; K340-V347 PolarHBondContact O-N 2.67Å
341	Y	86.9	Confident	79.6	Confident	1 Å²	1	83.4 Å²	83.4	0%	0.004	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	145.1	177.6	-72	-98.9	0	0	0	111.4	Y314 R323 H324 G325 E337 V345 L346	Y314-Y341 HydrophobicContact CD2-CE2 4.44Å; Y314-Y341 HydrophobicContact CE2-CD1 4.38Å; Y314-Y341 AromaticContact CE2-CD2 3.79Å; Y314-Y341 HydrophobicContact CE2-CD2 3.79Å; Y314-Y341 HydrophobicContact CE2-CE1 4.28Å; Y314-Y341 AromaticContact CE2-CE2 3.7Å; Y314-Y341 HydrophobicContact CE2-CE2 3.7Å; Y314-Y341 HydrophobicContact CE2-CG 4.15Å; Y314-Y341 AromaticContact CE2-CZ 3.96Å; R323-Y341 HydrophobicContact CB-CD1 3.97Å; R323-Y341 HydrophobicContact CB-CG 4.17Å; H324-Y341 CarbonylContact C-O 3.48Å; H324-Y341 WeakPolarHBondContact CA-O 3.44Å; G325-Y341 PolarHBondContact N-O 3.13Å; G325-Y341 VanDerWaalsContact N-O 3.16Å; G325-Y341 PolarHBondContact O-N 3.17Å; E337-Y341 PolarHBondContact O-OH 3.36Å; Y341-V345 CarbonylContact C-O 3.58Å; Y341-V345 WeakPolarHBondContact CA-O 3.37Å; Y341-L346 HydrophobicContact CD1-CB 4.18Å; Y341-L346 HydrophobicContact CD2-CD1 4.19Å; Y341-L346 HydrophobicContact CE1-CB 3.75Å; Y341-L346 HydrophobicContact CE1-CD1 4.43Å; Y341-L346 HydrophobicContact CE2-CD1 3.8Å
342	R	89.2	Confident	77.5	Confident	161 Å²	161	93.7 Å²	93.7	61%	0.608	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.6	112.4	170.6	-174.1	-175.7	-174	-168.8	2.2	109.1	V345 V347	R342-V345 PolarHBondContact N-O 3.49Å; R342-V345 PolarHBondContact O-N 2.96Å; R342-V347 HydrophobicContact CB-CG2 4.05Å
343	H	84.4	Confident	75.6	Confident	81 Å²	81	101.8 Å²	101.8	38%	0.375	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	59.9	-179.8	-47.2	151.7	0	0	0	111.7	A206 L322 R323 V345	A206-H343 VanDerWaalsContact CB-O 3.32Å; A206-H343 WeakPolarHBondContact CB-O 3.42Å; L322-H343 HydrophobicContact CD1-CB 4.12Å; R323-H343 PolarHBondContact O-N 2.85Å; H343-V345 PolarHBondContact O-N 3.03Å
344	N	85.6	Confident	73.6	Confident	11 Å²	11	104.5 Å²	104.5	6%	0.059	51%	0.509	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	-21.1	-172.5	-66.3	-3.5	0	0	0	116.8	S203 L322 R323	S203-N344 PolarHBondContact O-ND2 2.66Å; L322-N344 VanDerWaalsContact CA-OD1 3.32Å; L322-N344 WeakPolarHBondContact CA-OD1 3.29Å; R323-N344 PolarHBondContact N-OD1 3.37Å; R323-N344 PolarHBondContact NE-O 3Å; R323-N344 PolarHBondContact NH2-O 3.37Å; R323-N344 PolarHBondContact O-N 3.03Å; R323-N344 VanDerWaalsContact O-N 3.13Å
345	V	82.9	Confident	71.8	Confident	73 Å²	73	107 Å²	107	44%	0.442	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	131.6	-178.2	-176	0	0	0	0	111.7	A206 Y341 R342 H343 V347	A206-V345 HydrophobicContact CB-CG2 4.29Å; Y341-V345 CarbonylContact C-O 3.58Å; Y341-V345 WeakPolarHBondContact CA-O 3.37Å; R342-V345 PolarHBondContact N-O 3.49Å; R342-V345 PolarHBondContact O-N 2.96Å; H343-V345 PolarHBondContact O-N 3.03Å; V345-V347 PolarHBondContact O-N 2.65Å
346	L	84.3	Confident	70.1	Confident	30 Å²	30	110.9 Å²	110.9	16%	0.157	53%	0.528	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	110.1	171.3	174.5	56	0	0	0	110.4	E337 Y341 K348	E337-L346 HydrophobicContact CB-CD2 3.82Å; E337-L346 HydrophobicContact CG-CD2 4.5Å; Y341-L346 HydrophobicContact CD1-CB 4.18Å; Y341-L346 HydrophobicContact CD2-CD1 4.19Å; Y341-L346 HydrophobicContact CE1-CB 3.75Å; Y341-L346 HydrophobicContact CE1-CD1 4.43Å; Y341-L346 HydrophobicContact CE2-CD1 3.8Å; L346-K348 HydrophobicContact CD2-CG 4.35Å; L346-K348 HydrophobicContact CG-CG 4.23Å; L346-K348 PolarHBondContact O-N 3.16Å
347	V	84.4	Confident	68	Low	77 Å²	77	113.1 Å²	113.1	47%	0.467	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	85.7	177	-172	0	0	0	0	109	K340 R342 V345 G349	K340-V347 WeakPolarHBondContact O-CB 3.31Å; K340-V347 PolarHBondContact O-N 2.67Å; R342-V347 HydrophobicContact CB-CG2 4.05Å; V345-V347 PolarHBondContact O-N 2.65Å; V347-G349 PolarHBondContact O-N 3.48Å
348	K	65.9	Low	66.4	Low	149 Å²	149	115.6 Å²	115.6	65%	0.648	56%	0.558	S	S	*	*			trans	-58.9	101.5	173.4	-78.5	176.8	177.7	162.4	0	109.6	E337 L346	E337-K348 WeakPolarHBondContact OE1-CE 3.29Å; E337-K348 IonicContact OE1-NZ 3.96Å; E337-K348 PolarHBondContact OE1-NZ 2.95Å; L346-K348 HydrophobicContact CD2-CG 4.35Å; L346-K348 HydrophobicContact CG-CG 4.23Å; L346-K348 PolarHBondContact O-N 3.16Å
349	G	52.5	Low	65.2	Low	66 Å²	66	113.1 Å²	113.1	68%	0.68	55%	0.551	S	S	*	*			trans	-69.5	128.8	-176.8	0	0	0	0	0	112.7	V347 K351	V347-G349 PolarHBondContact O-N 3.48Å; G349-K351 VanDerWaalsContact C-N 3.31Å; G349-K351 PolarHBondContact O-N 2.89Å
350	T	43.5	Very low	64.7	Low	139 Å²	139	115.6 Å²	115.6	85%	0.853	56%	0.559	S	S	*	*	S	Bend	trans	-74.9	68.2	-170.4	-39.2	0	0	0	0	114.3
351	K	42.9	Very low	64.5	Low	197 Å²	197	117.7 Å²	117.7	86%	0.857	57%	0.568	S	S	*	*	S	Bend	trans	180	137.9	144.9	-100.7	151.7	-172.9	175	0	113	G349 R353	G349-K351 VanDerWaalsContact C-N 3.31Å; G349-K351 PolarHBondContact O-N 2.89Å; K351-R353 PolarHBondContact O-N 3.27Å
352	R	45.5	Very low	64.5	Low	246 Å²	246	118.8 Å²	118.8	93%	0.928	58%	0.575	S	S	*	*	S	Bend	trans	-69.8	87.8	167.7	-75.1	174.7	163.8	173.5	-6.2	111.4
353	R	45.3	Very low	64.5	Low	233 Å²	233	117.7 Å²	117.7	88%	0.879	57%	0.571	S	S	*	*			trans	175.6	155.5	146.4	-101.6	166	-73.4	-161	4.4	111.8	K351	K351-R353 PolarHBondContact O-N 3.27Å
354	M	42.3	Very low	64.9	Low	183 Å²	183	118.9 Å²	118.9	90%	0.901	58%	0.577	S	S	*	*			trans	56	103.4	176.8	-75.4	-176.1	164.9	0	0	117.4
355	L	46.9	Very low	65.3	Low	101 Å²	101	123.9 Å²	123.9	53%	0.529	60%	0.598	S	S	.	*				-176	26.8	126.4	-101.3	167	0	0	0	116	L357 K358	L355-L357 PolarHBondContact O-N 2.96Å; L355-K358 HydrophobicContact CD2-CD 3.86Å; L355-K358 HydrophobicContact CD2-CG 3.91Å; L355-K358 PolarHBondContact O-N 3.33Å; L355-K358 VanDerWaalsContact O-N 3.09Å
356	Q	51.5	Low	65.9	Low	182 Å²	182	120.9 Å²	120.9	85%	0.85	58%	0.58	S	S	*	*	H	α-helix	trans	-53.6	-24.4	178.4	-74.2	176.2	-23.5	0	0	114.4	K358 S359	Q356-K358 VanDerWaalsContact C-N 3.25Å; Q356-K358 PolarHBondContact O-N 2.82Å; Q356-S359 PolarHBondContact O-N 2.8Å
357	L	41.7	Very low	66.4	Low	159 Å²	159	124.9 Å²	124.9	83%	0.832	60%	0.597	S	S	*	*	H	α-helix	trans	-61.7	-21.3	176.4	-100.9	69.4	0	0	0	115.4	L355	L355-L357 PolarHBondContact O-N 2.96Å
358	K	54.9	Low	67	Low	104 Å²	104	125.7 Å²	125.7	45%	0.452	60%	0.596	S	S	.	*	H	α-helix	trans	-87.2	-29.4	179	-73.5	-173.8	-175.8	180	0	113.6	L355 Q356 N360 K361 V362	L355-K358 HydrophobicContact CD2-CD 3.86Å; L355-K358 HydrophobicContact CD2-CG 3.91Å; L355-K358 PolarHBondContact O-N 3.33Å; L355-K358 VanDerWaalsContact O-N 3.09Å; Q356-K358 VanDerWaalsContact C-N 3.25Å; Q356-K358 PolarHBondContact O-N 2.82Å; K358-N360 VanDerWaalsContact C-N 3.32Å; K358-N360 PolarHBondContact O-N 3.18Å; K358-K361 PolarHBondContact O-N 3.07Å; K358-V362 PolarHBondContact O-N 3.48Å
359	S	62.5	Low	68.5	Low	46 Å²	46	118.8 Å²	118.8	32%	0.322	57%	0.566	S	S	.	*	H	α-helix	trans	-54.1	-46.6	-179.6	174.8	0	0	0	0	111.7	Q356 K361 V362 R363	Q356-S359 PolarHBondContact O-N 2.8Å; S359-K361 PolarHBondContact O-N 2.86Å; S359-V362 PolarHBondContact O-N 2.86Å; S359-R363 WeakPolarHBondContact O-CB 3.41Å; S359-R363 PolarHBondContact O-N 3.23Å
360	N	75.1	Confident	70.7	Confident	77 Å²	77	116.6 Å²	116.6	41%	0.412	54%	0.54	S	S	.	.	H	α-helix	trans	-62.5	-42	-176.6	-155.4	3	0	0	0	113.3	K358 R363 Q364	K358-N360 VanDerWaalsContact C-N 3.32Å; K358-N360 PolarHBondContact O-N 3.18Å; N360-R363 PolarHBondContact O-N 2.84Å; N360-R363 PolarHBondContact OD1-NH2 3.47Å; N360-Q364 VanDerWaalsContact O-CG 3.31Å; N360-Q364 WeakPolarHBondContact O-CG 3.43Å; N360-Q364 PolarHBondContact O-N 3.13Å
361	K	86.3	Confident	73.2	Confident	156 Å²	156	114.6 Å²	114.6	68%	0.678	52%	0.521	S	S	*	.	H	α-helix	trans	-70.2	-33.4	177.5	-71.5	-168	176.6	-172.1	0	113.2	K358 S359 K365	K358-K361 PolarHBondContact O-N 3.07Å; S359-K361 PolarHBondContact O-N 2.86Å; K361-K365 PolarHBondContact O-N 3.06Å
362	V	86.6	Confident	75.9	Confident	23 Å²	23	105.5 Å²	105.5	14%	0.139	48%	0.483	C	S	.	.	H	α-helix	trans	-70.8	-45.8	175.3	174.1	0	0	0	0	109.8	F303 K358 S359 Q364 K365 V366	F303-V362 HydrophobicContact CE1-CG1 4.33Å; K358-V362 PolarHBondContact O-N 3.48Å; S359-V362 PolarHBondContact O-N 2.86Å; V362-Q364 PolarHBondContact O-N 2.7Å; V362-K365 WeakPolarHBondContact O-CB 3.46Å; V362-K365 PolarHBondContact O-N 2.93Å; V362-K365 VanDerWaalsContact O-N 3.09Å; V362-V366 HydrophobicContact CG1-CG2 4.43Å; V362-V366 WeakPolarHBondContact O-CG2 3.48Å; V362-V366 PolarHBondContact O-N 2.85Å
363	R	88.6	Confident	78.3	Confident	138 Å²	138	93.8 Å²	93.8	52%	0.521	44%	0.439	S	S	.	.	H	α-helix	trans	-55.7	-47.7	174.9	-177.6	176.7	62.3	-170.3	0.2	112.3	S359 N360 K365 V366 E367	S359-R363 WeakPolarHBondContact O-CB 3.41Å; S359-R363 PolarHBondContact O-N 3.23Å; N360-R363 PolarHBondContact O-N 2.84Å; N360-R363 PolarHBondContact OD1-NH2 3.47Å; R363-K365 VanDerWaalsContact C-N 3.27Å; R363-K365 PolarHBondContact O-N 2.86Å; R363-V366 PolarHBondContact O-N 2.87Å; R363-V366 VanDerWaalsContact O-N 3.14Å; R363-E367 VanDerWaalsContact O-CB 3.27Å; R363-E367 WeakPolarHBondContact O-CB 3.37Å; R363-E367 PolarHBondContact O-N 2.94Å
364	Q	92.9	Very high	80.8	Confident	107 Å²	107	87.1 Å²	87.1	50%	0.5	42%	0.418	S	S	.	.	H	α-helix	trans	-58.4	-35.2	176.1	-76.6	174.4	-32.6	0	0	113.2	N360 V362 H368	N360-Q364 VanDerWaalsContact O-CG 3.31Å; N360-Q364 WeakPolarHBondContact O-CG 3.43Å; N360-Q364 PolarHBondContact O-N 3.13Å; V362-Q364 PolarHBondContact O-N 2.7Å; Q364-H368 WeakPolarHBondContact O-CB 3.01Å; Q364-H368 PolarHBondContact O-N 3.16Å
365	K	95.6	Very high	83.4	Confident	116 Å²	116	84.8 Å²	84.8	50%	0.504	40%	0.399	S	S	.	.	H	α-helix	trans	-71.7	-43.1	173.7	-73.7	-171.2	172.4	-163	0	112.4	F303 K361 V362 R363 E367 H368 S369	F303-K365 HydrophobicContact CB-CB 4.38Å; F303-K365 HydrophobicContact CD1-CB 3.63Å; F303-K365 HydrophobicContact CD1-CD 4.19Å; F303-K365 HydrophobicContact CD2-CB 4.14Å; F303-K365 HydrophobicContact CD2-CD 4.05Å; F303-K365 HydrophobicContact CE1-CB 3.92Å; F303-K365 HydrophobicContact CE1-CD 3.68Å; F303-K365 HydrophobicContact CE1-CG 4.48Å; F303-K365 HydrophobicContact CE2-CB 4.44Å; F303-K365 HydrophobicContact CE2-CD 3.58Å; F303-K365 HydrophobicContact CG-CB 3.77Å; F303-K365 HydrophobicContact CG-CD 4.38Å; F303-K365 HydrophobicContact CZ-CB 4.36Å; F303-K365 HydrophobicContact CZ-CD 3.38Å; K361-K365 PolarHBondContact O-N 3.06Å; V362-K365 WeakPolarHBondContact O-CB 3.46Å; V362-K365 PolarHBondContact O-N 2.93Å; V362-K365 VanDerWaalsContact O-N 3.09Å; R363-K365 VanDerWaalsContact C-N 3.27Å; R363-K365 PolarHBondContact O-N 2.86Å; K365-E367 VanDerWaalsContact C-N 3.33Å; K365-H368 PolarHBondContact O-N 3.06Å; K365-S369 WeakPolarHBondContact O-CB 3.29Å; K365-S369 PolarHBondContact O-N 2.84Å; K365-S369 PolarHBondContact O-OG 2.75Å
366	V	95	Very high	85.8	Confident	10 Å²	10	80.1 Å²	80.1	6%	0.061	38%	0.375	C	S	.	.	H	α-helix	trans	-61	-45.1	175.9	176.2	0	0	0	0	110.6	F303 V305 E315 V362 R363 S369 V370	F303-V366 HydrophobicContact CB-CG2 4.15Å; F303-V366 HydrophobicContact CD1-CG2 4.07Å; V305-V366 HydrophobicContact CG2-CG1 3.51Å; E315-V366 HydrophobicContact CB-CG1 4.23Å; V362-V366 HydrophobicContact CG1-CG2 4.43Å; V362-V366 WeakPolarHBondContact O-CG2 3.48Å; V362-V366 PolarHBondContact O-N 2.85Å; R363-V366 PolarHBondContact O-N 2.87Å; R363-V366 VanDerWaalsContact O-N 3.14Å; V366-S369 PolarHBondContact O-N 3.01Å; V366-V370 HydrophobicContact CG1-CG2 4.36Å; V366-V370 WeakPolarHBondContact O-CB 3.29Å; V366-V370 VanDerWaalsContact O-CG2 3.24Å; V366-V370 WeakPolarHBondContact O-CG2 3.23Å; V366-V370 PolarHBondContact O-N 2.85Å
367	E	95.4	Very high	87.9	Confident	113 Å²	113	71.7 Å²	71.7	53%	0.528	34%	0.336	S	S	.	.	H	α-helix	trans	-56.1	-52.4	174.2	-174.7	167.1	-138.4	0	0	111	R363 K365 S369 V370 E371	R363-E367 VanDerWaalsContact O-CB 3.27Å; R363-E367 WeakPolarHBondContact O-CB 3.37Å; R363-E367 PolarHBondContact O-N 2.94Å; K365-E367 VanDerWaalsContact C-N 3.33Å; E367-S369 PolarHBondContact O-N 3.27Å; E367-V370 PolarHBondContact O-N 2.92Å; E367-E371 WeakPolarHBondContact O-CG 3.01Å; E367-E371 PolarHBondContact O-N 2.9Å
368	H	97.1	Very high	90.4	Very high	94 Å²	94	66.2 Å²	66.2	44%	0.435	31%	0.314	S	S	.	.	H	α-helix	trans	-61.3	-39.1	176.6	-171.8	70.8	0	0	0	113.9	Q364 K365 E371 G372	Q364-H368 WeakPolarHBondContact O-CB 3.01Å; Q364-H368 PolarHBondContact O-N 3.16Å; K365-H368 PolarHBondContact O-N 3.06Å; H368-E371 IonicContact ND1-OE2 3.82Å; H368-E371 PolarHBondContact O-N 2.83Å; H368-G372 PolarHBondContact O-N 3.44Å
369	S	97.3	Very high	92.1	Very high	4 Å²	4	63.9 Å²	63.9	3%	0.028	31%	0.306	C	S	.	.	H	α-helix	trans	-75.8	-25.9	178.3	-63.3	0	0	0	0	112.7	E294 F303 K365 V366 E367 A373	E294-S369 WeakPolarHBondContact OE1-CB 3.38Å; E294-S369 PolarHBondContact OE1-OG 2.85Å; F303-S369 VanDerWaalsContact O-CB 3.32Å; F303-S369 WeakPolarHBondContact O-CB 3.34Å; K365-S369 WeakPolarHBondContact O-CB 3.29Å; K365-S369 PolarHBondContact O-N 2.84Å; K365-S369 PolarHBondContact O-OG 2.75Å; V366-S369 PolarHBondContact O-N 3.01Å; E367-S369 PolarHBondContact O-N 3.27Å; S369-A373 VanDerWaalsContact O-CB 3.3Å; S369-A373 WeakPolarHBondContact O-CB 3.26Å; S369-A373 PolarHBondContact O-N 2.78Å
370	V	97	Very high	93.4	Very high	21 Å²	21	61.7 Å²	61.7	13%	0.127	29%	0.29	C	S	.	.	H	α-helix	trans	-71.4	-45.3	167.6	169.9	0	0	0	0	110.8	M292 V305 V366 E367 G372 A373 Q374	M292-V370 HydrophobicContact CB-CG1 4.38Å; M292-V370 HydrophobicContact CB-CG2 4.23Å; M292-V370 HydrophobicContact SD-CG1 4.31Å; V305-V370 HydrophobicContact CB-CG2 4.08Å; V305-V370 HydrophobicContact CG2-CG2 3.61Å; V366-V370 HydrophobicContact CG1-CG2 4.36Å; V366-V370 WeakPolarHBondContact O-CB 3.29Å; V366-V370 VanDerWaalsContact O-CG2 3.24Å; V366-V370 WeakPolarHBondContact O-CG2 3.23Å; V366-V370 PolarHBondContact O-N 2.85Å; E367-V370 PolarHBondContact O-N 2.92Å; V370-G372 VanDerWaalsContact C-N 3.26Å; V370-G372 PolarHBondContact O-N 2.88Å; V370-A373 PolarHBondContact O-N 2.59Å; V370-Q374 HydrophobicContact CG1-CG 4.34Å; V370-Q374 WeakPolarHBondContact O-CB 3.38Å; V370-Q374 VanDerWaalsContact O-CG 3.31Å; V370-Q374 WeakPolarHBondContact O-CG 3.44Å; V370-Q374 PolarHBondContact O-N 3.36Å
371	E	97.6	Very high	93.9	Very high	96 Å²	96	64.7 Å²	64.7	45%	0.449	30%	0.296	S	S	.	.	H	α-helix	trans	-58.8	-39.2	170.6	-71.4	-179.7	161.6	0	0	111.6	E367 H368 R375	E367-E371 WeakPolarHBondContact O-CG 3.01Å; E367-E371 PolarHBondContact O-N 2.9Å; H368-E371 IonicContact ND1-OE2 3.82Å; H368-E371 PolarHBondContact O-N 2.83Å; E371-R375 VanDerWaalsContact O-CB 3.29Å; E371-R375 WeakPolarHBondContact O-CB 3.4Å; E371-R375 VanDerWaalsContact O-CG 3.26Å; E371-R375 WeakPolarHBondContact O-CG 3.33Å; E371-R375 PolarHBondContact O-N 2.66Å; E371-R375 PolarHBondContact O-NE 3.4Å
372	G	97.9	Very high	93.9	Very high	6 Å²	6	62.1 Å²	62.1	6%	0.062	29%	0.286	C	S	.	.	H	α-helix	trans	-61	-49.7	173.8	0	0	0	0	0	111.3	H368 V370 R375 A376	H368-G372 PolarHBondContact O-N 3.44Å; V370-G372 VanDerWaalsContact C-N 3.26Å; V370-G372 PolarHBondContact O-N 2.88Å; G372-R375 PolarHBondContact O-N 2.98Å; G372-A376 WeakPolarHBondContact O-CB 3.24Å; G372-A376 PolarHBondContact O-N 3.42Å
373	A	97.3	Very high	93.6	Very high	0 Å²	0	65 Å²	65	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.4	-42.1	177.3	0	0	0	0	0	112.9	V143 M292 G293 S369 V370 A376 A377	V143-A373 HydrophobicContact CG2-CB 4.09Å; M292-A373 HydrophobicContact CB-CB 4.29Å; G293-A373 VanDerWaalsContact N-CB 3.28Å; S369-A373 VanDerWaalsContact O-CB 3.3Å; S369-A373 WeakPolarHBondContact O-CB 3.26Å; S369-A373 PolarHBondContact O-N 2.78Å; V370-A373 PolarHBondContact O-N 2.59Å; A373-A376 PolarHBondContact O-N 3Å; A373-A377 VanDerWaalsContact O-CB 3.23Å; A373-A377 WeakPolarHBondContact O-CB 3.41Å; A373-A377 PolarHBondContact O-N 3.43Å
374	Q	97.5	Very high	93	Very high	94 Å²	94	59 Å²	59	44%	0.439	28%	0.277	S	S	.	.	H	α-helix	trans	-64.9	-44.2	176.6	-74.2	177.4	6.7	0	0	111.6	M292 V370 A377 A378	M292-Q374 HydrophobicContact CE-CG 3.53Å; M292-Q374 HydrophobicContact SD-CG 4.39Å; V370-Q374 HydrophobicContact CG1-CG 4.34Å; V370-Q374 WeakPolarHBondContact O-CB 3.38Å; V370-Q374 VanDerWaalsContact O-CG 3.31Å; V370-Q374 WeakPolarHBondContact O-CG 3.44Å; V370-Q374 PolarHBondContact O-N 3.36Å; Q374-A377 PolarHBondContact O-N 2.95Å; Q374-A378 VanDerWaalsContact O-CB 3.31Å; Q374-A378 WeakPolarHBondContact O-CB 3.4Å; Q374-A378 PolarHBondContact O-N 3.28Å
375	R	97.6	Very high	92.3	Very high	134 Å²	134	60.3 Å²	60.3	51%	0.506	28%	0.283	S	S	.	.	H	α-helix	trans	-64.7	-42.9	173.2	-74	176.9	-67.4	169.1	-2.6	111.6	E371 G372 A377 A378 I379	E371-R375 VanDerWaalsContact O-CB 3.29Å; E371-R375 WeakPolarHBondContact O-CB 3.4Å; E371-R375 VanDerWaalsContact O-CG 3.26Å; E371-R375 WeakPolarHBondContact O-CG 3.33Å; E371-R375 PolarHBondContact O-N 2.66Å; E371-R375 PolarHBondContact O-NE 3.4Å; G372-R375 PolarHBondContact O-N 2.98Å; R375-A377 VanDerWaalsContact C-N 3.34Å; R375-A377 PolarHBondContact O-N 3.26Å; R375-A378 PolarHBondContact O-N 3.34Å; R375-I379 WeakPolarHBondContact O-CB 3.42Å; R375-I379 WeakPolarHBondContact O-CG1 3.46Å; R375-I379 PolarHBondContact O-N 3.09Å
376	A	96.2	Very high	91.1	Very high	3 Å²	3	57.3 Å²	57.3	3%	0.025	27%	0.272	C	S	.	.	H	α-helix	trans	-65.5	-35.3	176.9	0	0	0	0	0	112.6	Y118 Q132 Y141 G372 A373 A380	Y118-A376 HydrophobicContact CE1-CB 4.25Å; Q132-A376 HydrophobicContact CG-CB 4.37Å; Y141-A376 VanDerWaalsContact O-CB 3.3Å; Y141-A376 WeakPolarHBondContact O-CB 3.44Å; G372-A376 WeakPolarHBondContact O-CB 3.24Å; G372-A376 PolarHBondContact O-N 3.42Å; A373-A376 PolarHBondContact O-N 3Å; A376-A380 WeakPolarHBondContact O-CB 3.47Å; A376-A380 PolarHBondContact O-N 2.92Å
377	A	94.9	Very high	89.6	Confident	4 Å²	4	58 Å²	58	3%	0.033	28%	0.279	C	S	.	.	H	α-helix	trans	-74.2	-33.9	173.8	0	0	0	0	0	112.7	Q130 V143 A373 Q374 R375 A380 R381	Q130-A377 HydrophobicContact CB-CB 3.82Å; V143-A377 HydrophobicContact CB-CB 3.97Å; V143-A377 HydrophobicContact CG2-CB 3.7Å; A373-A377 VanDerWaalsContact O-CB 3.23Å; A373-A377 WeakPolarHBondContact O-CB 3.41Å; A373-A377 PolarHBondContact O-N 3.43Å; Q374-A377 PolarHBondContact O-N 2.95Å; R375-A377 VanDerWaalsContact C-N 3.34Å; R375-A377 PolarHBondContact O-N 3.26Å; A377-A380 PolarHBondContact O-N 3.11Å; A377-R381 WeakPolarHBondContact O-CB 3.49Å; A377-R381 WeakPolarHBondContact O-CG 3.4Å; A377-R381 PolarHBondContact O-N 3.23Å
378	A	94.2	Very high	88	Confident	45 Å²	45	55.5 Å²	55.5	37%	0.372	28%	0.277	S	S	.	.	H	α-helix	trans	-67.3	-45.6	171.1	0	0	0	0	0	111.2	Q374 R375 A380 R381 Q382	Q374-A378 VanDerWaalsContact O-CB 3.31Å; Q374-A378 WeakPolarHBondContact O-CB 3.4Å; Q374-A378 PolarHBondContact O-N 3.28Å; R375-A378 PolarHBondContact O-N 3.34Å; A378-A380 VanDerWaalsContact C-N 3.35Å; A378-R381 PolarHBondContact O-N 3.36Å; A378-Q382 WeakPolarHBondContact O-CB 3.03Å; A378-Q382 PolarHBondContact O-N 3.4Å
379	I	91.5	Very high	86.3	Confident	54 Å²	54	54.4 Å²	54.4	28%	0.277	28%	0.28	S	S	.	.	H	α-helix	trans	-63.6	-40.2	172.2	-65	163.1	0	0	0	110.1	Y118 R375 Q382 K383	Y118-I379 HydrophobicContact CD1-CB 4Å; Y118-I379 HydrophobicContact CD1-CG2 3.55Å; Y118-I379 HydrophobicContact CD2-CG2 4.02Å; Y118-I379 HydrophobicContact CE1-CB 4Å; Y118-I379 HydrophobicContact CE1-CD1 4.3Å; Y118-I379 HydrophobicContact CE1-CG2 3.67Å; Y118-I379 HydrophobicContact CE2-CG2 4.15Å; Y118-I379 HydrophobicContact CG-CG2 3.73Å; R375-I379 WeakPolarHBondContact O-CB 3.42Å; R375-I379 WeakPolarHBondContact O-CG1 3.46Å; R375-I379 PolarHBondContact O-N 3.09Å; I379-Q382 CarbonylContact O-C 3.58Å; I379-Q382 PolarHBondContact O-N 2.86Å; I379-K383 HydrophobicContact CG2-CG 3.89Å; I379-K383 WeakPolarHBondContact O-CA 3.04Å; I379-K383 WeakPolarHBondContact O-CB 3.27Å; I379-K383 WeakPolarHBondContact O-CG 3.31Å; I379-K383 PolarHBondContact O-N 3.25Å
380	A	88.9	Confident	84.5	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-65.8	-38.1	177.1	0	0	0	0	0	112.7	G119 Q130 G131 A376 A377 A378 K383 A384	G119-A380 WeakPolarHBondContact O-CB 3.3Å; Q130-A380 HydrophobicContact CB-CB 4.32Å; G131-A380 VanDerWaalsContact N-CB 3.31Å; A376-A380 WeakPolarHBondContact O-CB 3.47Å; A376-A380 PolarHBondContact O-N 2.92Å; A377-A380 PolarHBondContact O-N 3.11Å; A378-A380 VanDerWaalsContact C-N 3.35Å; A380-K383 PolarHBondContact O-N 3.26Å; A380-A384 WeakPolarHBondContact O-CB 3.46Å; A380-A384 PolarHBondContact O-N 3.24Å
381	R	87.6	Confident	82.3	Confident	141 Å²	141	62 Å²	62	53%	0.532	31%	0.309	S	S	.	.	H	α-helix	trans	-67.4	-46.8	170.4	-77.4	-176.8	-69.9	145.7	0	111.6	Q130 A377 A378 K383 A384 E385	Q130-R381 HydrophobicContact CG-CG 4.47Å; A377-R381 WeakPolarHBondContact O-CB 3.49Å; A377-R381 WeakPolarHBondContact O-CG 3.4Å; A377-R381 PolarHBondContact O-N 3.23Å; A378-R381 PolarHBondContact O-N 3.36Å; R381-K383 PolarHBondContact O-N 3.07Å; R381-A384 CarbonylContact O-C 3.58Å; R381-A384 PolarHBondContact O-N 2.93Å; R381-A384 VanDerWaalsContact O-N 3.12Å; R381-E385 VanDerWaalsContact O-CB 3.28Å; R381-E385 WeakPolarHBondContact O-CB 3.37Å; R381-E385 PolarHBondContact O-N 2.99Å
382	Q	86.3	Confident	80.3	Confident	102 Å²	102	61.5 Å²	61.5	48%	0.477	32%	0.317	S	S	.	.	H	α-helix	trans	-62.2	-31.6	175.2	-162.8	-159.4	22.9	0	0	111.9	A378 I379 I386	A378-Q382 WeakPolarHBondContact O-CB 3.03Å; A378-Q382 PolarHBondContact O-N 3.4Å; I379-Q382 CarbonylContact O-C 3.58Å; I379-Q382 PolarHBondContact O-N 2.86Å; Q382-I386 HydrophobicContact CG-CD1 3.88Å; Q382-I386 HydrophobicContact CG-CG1 4.45Å; Q382-I386 WeakPolarHBondContact O-CB 3.22Å; Q382-I386 WeakPolarHBondContact O-CD1 3.32Å; Q382-I386 WeakPolarHBondContact O-CG1 3.41Å; Q382-I386 PolarHBondContact O-N 3.05Å
383	K	79.9	Confident	78.3	Confident	83 Å²	83	66.2 Å²	66.2	36%	0.361	34%	0.337	S	S	.	.	H	α-helix	trans	-82.3	-27	175	-68.7	-70.2	179.8	-174.7	0	112.2	I379 A380 R381 E385 A387	I379-K383 HydrophobicContact CG2-CG 3.89Å; I379-K383 WeakPolarHBondContact O-CA 3.04Å; I379-K383 WeakPolarHBondContact O-CB 3.27Å; I379-K383 WeakPolarHBondContact O-CG 3.31Å; I379-K383 PolarHBondContact O-N 3.25Å; A380-K383 PolarHBondContact O-N 3.26Å; R381-K383 PolarHBondContact O-N 3.07Å; K383-E385 VanDerWaalsContact C-N 3.34Å; K383-A387 WeakPolarHBondContact O-CA 3.15Å; K383-A387 WeakPolarHBondContact O-CB 3.24Å; K383-A387 PolarHBondContact O-N 3.06Å
384	A	76	Confident	76.3	Confident	13 Å²	13	66.4 Å²	66.4	11%	0.107	34%	0.338	C	S	.	.	H	α-helix	trans	-74.2	-25.2	167	0	0	0	0	0	111.9	E107 A380 R381 A388	E107-A384 HydrophobicContact CB-CB 4.06Å; A380-A384 WeakPolarHBondContact O-CB 3.46Å; A380-A384 PolarHBondContact O-N 3.24Å; R381-A384 CarbonylContact O-C 3.58Å; R381-A384 PolarHBondContact O-N 2.93Å; R381-A384 VanDerWaalsContact O-N 3.12Å; A384-A388 VanDerWaalsContact O-CB 3.23Å; A384-A388 WeakPolarHBondContact O-CB 3.45Å; A384-A388 PolarHBondContact O-N 2.76Å
385	E	77.1	Confident	74.7	Confident	133 Å²	133	67.1 Å²	67.1	62%	0.621	34%	0.34	S	S	*	.	H	α-helix	trans	-88.2	-39	175.4	-176.3	179	-162.1	0	0	112.3	R381 K383 A387 A388 S389	R381-E385 VanDerWaalsContact O-CB 3.28Å; R381-E385 WeakPolarHBondContact O-CB 3.37Å; R381-E385 PolarHBondContact O-N 2.99Å; K383-E385 VanDerWaalsContact C-N 3.34Å; E385-A387 VanDerWaalsContact C-N 3.27Å; E385-A388 CarbonylContact O-C 3.58Å; E385-A388 PolarHBondContact O-N 3.42Å; E385-S389 WeakPolarHBondContact O-CB 3.49Å; E385-S389 PolarHBondContact O-N 3.46Å; E385-S389 PolarHBondContact O-OG 2.8Å
386	I	70.3	Confident	73.4	Confident	54 Å²	54	62.9 Å²	62.9	28%	0.277	33%	0.334	S	S	.	.	H	α-helix	trans	-68.9	-30.4	166.8	-70.3	167.2	0	0	0	109.9	Q382 S389 R390	Q382-I386 HydrophobicContact CG-CD1 3.88Å; Q382-I386 HydrophobicContact CG-CG1 4.45Å; Q382-I386 WeakPolarHBondContact O-CB 3.22Å; Q382-I386 WeakPolarHBondContact O-CD1 3.32Å; Q382-I386 WeakPolarHBondContact O-CG1 3.41Å; Q382-I386 PolarHBondContact O-N 3.05Å; I386-S389 WeakPolarHBondContact CA-OG 3.17Å; I386-R390 HydrophobicContact CG2-CG 4.48Å; I386-R390 WeakPolarHBondContact O-CB 3.38Å; I386-R390 WeakPolarHBondContact O-CG 3.43Å; I386-R390 PolarHBondContact O-N 3.35Å; I386-R390 VanDerWaalsContact O-N 3.1Å
387	A	63.4	Low	72.3	Confident	25 Å²	25	64.7 Å²	64.7	21%	0.207	34%	0.341	C	S	.	.	H	α-helix	trans	-60.9	-69.9	158.1	0	0	0	0	0	107.9	K383 E385 S389 R390 T391	K383-A387 WeakPolarHBondContact O-CA 3.15Å; K383-A387 WeakPolarHBondContact O-CB 3.24Å; K383-A387 PolarHBondContact O-N 3.06Å; E385-A387 VanDerWaalsContact C-N 3.27Å; A387-S389 PolarHBondContact O-N 2.86Å; A387-R390 CarbonylContact O-C 3.49Å; A387-R390 WeakPolarHBondContact O-CA 3.31Å; A387-R390 PolarHBondContact O-N 3.42Å; A387-T391 WeakPolarHBondContact O-CA 2.8Å; A387-T391 VanDerWaalsContact O-CB 3.26Å; A387-T391 WeakPolarHBondContact O-CB 3.31Å; A387-T391 PolarHBondContact O-N 2.69Å; A387-T391 PolarHBondContact O-OG1 3.26Å
388	A	61.8	Low	71.1	Confident	59 Å²	59	64.8 Å²	64.8	49%	0.488	34%	0.342	S	S	.	.	H	α-helix	trans	-43.5	-40.2	-175.5	0	0	0	0	0	115.7	A384 E385 T391 S392	A384-A388 VanDerWaalsContact O-CB 3.23Å; A384-A388 WeakPolarHBondContact O-CB 3.45Å; A384-A388 PolarHBondContact O-N 2.76Å; E385-A388 CarbonylContact O-C 3.58Å; E385-A388 PolarHBondContact O-N 3.42Å; A388-T391 CarbonylContact O-C 3.35Å; A388-T391 VanDerWaalsContact O-CA 3.25Å; A388-T391 WeakPolarHBondContact O-CA 3.26Å; A388-T391 VanDerWaalsContact O-CB 3.27Å; A388-T391 WeakPolarHBondContact O-CB 3.4Å; A388-T391 PolarHBondContact O-N 2.83Å; A388-S392 PolarHBondContact O-N 2.82Å; A388-S392 VanDerWaalsContact O-N 3.08Å
389	S	61.6	Low	70.5	Confident	71 Å²	71	66.5 Å²	66.5	50%	0.497	34%	0.342	S	S	.	.	H	α-helix	trans	-80.3	-36.8	177.4	55.5	0	0	0	0	113.3	E385 I386 A387 T391 S392	E385-S389 WeakPolarHBondContact O-CB 3.49Å; E385-S389 PolarHBondContact O-N 3.46Å; E385-S389 PolarHBondContact O-OG 2.8Å; I386-S389 WeakPolarHBondContact CA-OG 3.17Å; A387-S389 PolarHBondContact O-N 2.86Å; S389-T391 PolarHBondContact O-N 3.02Å; S389-S392 VanDerWaalsContact O-CB 3.29Å; S389-S392 WeakPolarHBondContact O-CB 2.94Å; S389-S392 PolarHBondContact O-N 2.89Å; S389-S392 PolarHBondContact O-OG 2.9Å
390	R	59.6	Low	70.1	Confident	153 Å²	153	65.2 Å²	65.2	58%	0.577	34%	0.339	S	S	*	.	H	α-helix	trans	-75.3	-4.4	162.1	-61.4	176.2	177.8	-164.2	-3.9	112.5	I386 A387 H393 A394	I386-R390 HydrophobicContact CG2-CG 4.48Å; I386-R390 WeakPolarHBondContact O-CB 3.38Å; I386-R390 WeakPolarHBondContact O-CG 3.43Å; I386-R390 PolarHBondContact O-N 3.35Å; I386-R390 VanDerWaalsContact O-N 3.1Å; A387-R390 CarbonylContact O-C 3.49Å; A387-R390 WeakPolarHBondContact O-CA 3.31Å; A387-R390 PolarHBondContact O-N 3.42Å; R390-H393 CarbonylContact O-C 3.45Å; R390-H393 WeakPolarHBondContact O-CB 3.33Å; R390-H393 PolarHBondContact O-N 2.93Å; R390-A394 WeakPolarHBondContact O-CB 3.37Å; R390-A394 PolarHBondContact O-N 2.7Å
391	T	50.9	Low	70	Confident	31 Å²	31	65.2 Å²	65.2	19%	0.19	34%	0.339	C	S	.	.	H	α-helix	trans	-97.5	12.4	165.4	-48.9	0	0	0	0	109.2	I96 A387 A388 S389 A394 K395	I96-T391 HydrophobicContact CD1-CG2 3.85Å; I96-T391 HydrophobicContact CG1-CG2 4.31Å; A387-T391 WeakPolarHBondContact O-CA 2.8Å; A387-T391 VanDerWaalsContact O-CB 3.26Å; A387-T391 WeakPolarHBondContact O-CB 3.31Å; A387-T391 PolarHBondContact O-N 2.69Å; A387-T391 PolarHBondContact O-OG1 3.26Å; A388-T391 CarbonylContact O-C 3.35Å; A388-T391 VanDerWaalsContact O-CA 3.25Å; A388-T391 WeakPolarHBondContact O-CA 3.26Å; A388-T391 VanDerWaalsContact O-CB 3.27Å; A388-T391 WeakPolarHBondContact O-CB 3.4Å; A388-T391 PolarHBondContact O-N 2.83Å; S389-T391 PolarHBondContact O-N 3.02Å; T391-A394 HydrophobicContact CG2-CB 4.13Å; T391-K395 HydrophobicContact CG2-CB 3.98Å; T391-K395 WeakPolarHBondContact O-CA 3.3Å; T391-K395 WeakPolarHBondContact O-CB 3.47Å; T391-K395 PolarHBondContact O-N 2.7Å
392	S	55.8	Low	70	Confident	87 Å²	87	62.3 Å²	62.3	61%	0.608	33%	0.332	S	S	*	.	H	α-helix	trans	-64.8	-53.9	140.4	62.6	0	0	0	0	107.7	A388 S389 K395 A396	A388-S392 PolarHBondContact O-N 2.82Å; A388-S392 VanDerWaalsContact O-N 3.08Å; S389-S392 VanDerWaalsContact O-CB 3.29Å; S389-S392 WeakPolarHBondContact O-CB 2.94Å; S389-S392 PolarHBondContact O-N 2.89Å; S389-S392 PolarHBondContact O-OG 2.9Å; S392-K395 PolarHBondContact O-N 2.96Å; S392-A396 WeakPolarHBondContact O-CB 3.39Å; S392-A396 PolarHBondContact O-N 2.8Å
393	H	55.2	Low	70.3	Confident	104 Å²	104	63.7 Å²	63.7	48%	0.481	34%	0.338	S	S	.	.	H	α-helix	trans	-70.3	-35.5	176.6	-179.6	-129	0	0	0	113.6	R390 A396 K397	R390-H393 CarbonylContact O-C 3.45Å; R390-H393 WeakPolarHBondContact O-CB 3.33Å; R390-H393 PolarHBondContact O-N 2.93Å; H393-A396 CarbonylContact O-C 3.57Å; H393-K397 WeakPolarHBondContact CE1-CE 3.03Å; H393-K397 PolarHBondContact CE1-NZ 2.96Å; H393-K397 VanDerWaalsContact NE2-CE 3.29Å; H393-K397 WeakPolarHBondContact NE2-CE 3.47Å; H393-K397 WeakPolarHBondContact O-CB 3.45Å; H393-K397 VanDerWaalsContact O-CG 3.23Å; H393-K397 WeakPolarHBondContact O-CG 3.36Å; H393-K397 PolarHBondContact O-N 3.4Å
394	A	55.5	Low	70.9	Confident	4 Å²	4	59.9 Å²	59.9	3%	0.033	32%	0.322	C	S	.	.	H	α-helix	trans	-85.7	-16.1	174.4	0	0	0	0	0	114.8	R390 T391 A398	R390-A394 WeakPolarHBondContact O-CB 3.37Å; R390-A394 PolarHBondContact O-N 2.7Å; T391-A394 HydrophobicContact CG2-CB 4.13Å; A394-A398 VanDerWaalsContact O-CB 3.3Å; A394-A398 WeakPolarHBondContact O-CB 3.26Å; A394-A398 PolarHBondContact O-N 2.85Å
395	K	64.9	Low	71.7	Confident	110 Å²	110	59.5 Å²	59.5	48%	0.478	32%	0.319	S	S	.	.	H	α-helix	trans	-78.3	-42.7	160.7	-177.1	173.7	174.3	-76.9	0	109.1	T391 S392 K397 A398 E399	T391-K395 HydrophobicContact CG2-CB 3.98Å; T391-K395 WeakPolarHBondContact O-CA 3.3Å; T391-K395 WeakPolarHBondContact O-CB 3.47Å; T391-K395 PolarHBondContact O-N 2.7Å; S392-K395 PolarHBondContact O-N 2.96Å; K395-K397 PolarHBondContact O-N 3.26Å; K395-A398 CarbonylContact O-C 3.54Å; K395-A398 WeakPolarHBondContact O-CA 3.27Å; K395-A398 WeakPolarHBondContact O-CB 3.25Å; K395-A398 PolarHBondContact O-N 2.88Å; K395-E399 WeakPolarHBondContact CE-OE1 3.44Å; K395-E399 HydrophobicContact CG-CG 4.19Å; K395-E399 IonicContact NZ-OE1 2.87Å; K395-E399 PolarHBondContact NZ-OE1 2.6Å; K395-E399 IonicContact NZ-OE2 2.6Å; K395-E399 VanDerWaalsContact O-CB 3.31Å; K395-E399 WeakPolarHBondContact O-CB 3.4Å; K395-E399 VanDerWaalsContact O-CG 3.26Å; K395-E399 WeakPolarHBondContact O-CG 3.42Å; K395-E399 PolarHBondContact O-N 2.95Å
396	A	69.8	Low	72.5	Confident	44 Å²	44	58.2 Å²	58.2	36%	0.364	32%	0.316	S	S	.	.	H	α-helix	trans	-58.1	-34.8	169.5	0	0	0	0	0	111.8	S392 H393 A400	S392-A396 WeakPolarHBondContact O-CB 3.39Å; S392-A396 PolarHBondContact O-N 2.8Å; H393-A396 CarbonylContact O-C 3.57Å; A396-A400 WeakPolarHBondContact O-CA 3.29Å; A396-A400 WeakPolarHBondContact O-CB 3.38Å; A396-A400 PolarHBondContact O-N 2.8Å
397	K	72.4	Confident	73.7	Confident	42 Å²	42	57.1 Å²	57.1	18%	0.183	32%	0.315	C	S	.	.	H	α-helix	trans	-79.3	-20.2	169.7	-71.6	177.1	175.5	-171.5	0	114.4	L72 E85 H393 K395 A401	L72-K397 HydrophobicContact CD2-CB 3.84Å; L72-K397 HydrophobicContact CD2-CD 4.32Å; L72-K397 HydrophobicContact CD2-CG 3.95Å; E85-K397 HydrophobicContact CG-CD 3.82Å; E85-K397 IonicContact OE1-NZ 2.73Å; E85-K397 PolarHBondContact OE1-NZ 2.98Å; E85-K397 WeakPolarHBondContact OE2-CD 3.34Å; E85-K397 IonicContact OE2-NZ 3.58Å; E85-K397 PolarHBondContact OE2-NZ 3.48Å; H393-K397 WeakPolarHBondContact CE1-CE 3.03Å; H393-K397 PolarHBondContact CE1-NZ 2.96Å; H393-K397 VanDerWaalsContact NE2-CE 3.29Å; H393-K397 WeakPolarHBondContact NE2-CE 3.47Å; H393-K397 WeakPolarHBondContact O-CB 3.45Å; H393-K397 VanDerWaalsContact O-CG 3.23Å; H393-K397 WeakPolarHBondContact O-CG 3.36Å; H393-K397 PolarHBondContact O-N 3.4Å; K395-K397 PolarHBondContact O-N 3.26Å; K397-A401 WeakPolarHBondContact O-CA 3.46Å; K397-A401 WeakPolarHBondContact O-CB 3.18Å; K397-A401 PolarHBondContact O-N 2.92Å
398	A	71.1	Confident	75.2	Confident	6 Å²	6	56 Å²	56	5%	0.05	31%	0.305	C	S	.	.	H	α-helix	trans	-78.6	-37.3	169.8	0	0	0	0	0	111.4	K83 I96 A394 K395 A401 E402	K83-A398 HydrophobicContact CB-CB 3.78Å; K83-A398 HydrophobicContact CD-CB 4.23Å; I96-A398 HydrophobicContact CD1-CB 4.5Å; A394-A398 VanDerWaalsContact O-CB 3.3Å; A394-A398 WeakPolarHBondContact O-CB 3.26Å; A394-A398 PolarHBondContact O-N 2.85Å; K395-A398 CarbonylContact O-C 3.54Å; K395-A398 WeakPolarHBondContact O-CA 3.27Å; K395-A398 WeakPolarHBondContact O-CB 3.25Å; K395-A398 PolarHBondContact O-N 2.88Å; A398-A401 PolarHBondContact O-N 2.83Å; A398-E402 VanDerWaalsContact O-CB 3.25Å; A398-E402 WeakPolarHBondContact O-CB 3.44Å; A398-E402 PolarHBondContact O-N 2.77Å
399	E	82	Confident	76.8	Confident	81 Å²	81	55.6 Å²	55.6	38%	0.379	30%	0.295	S	S	.	.	H	α-helix	trans	-71.1	-40.5	172.5	-70.1	167.8	155.3	0	0	110.5	K395 E402 Q403	K395-E399 WeakPolarHBondContact CE-OE1 3.44Å; K395-E399 HydrophobicContact CG-CG 4.19Å; K395-E399 IonicContact NZ-OE1 2.87Å; K395-E399 PolarHBondContact NZ-OE1 2.6Å; K395-E399 IonicContact NZ-OE2 2.6Å; K395-E399 VanDerWaalsContact O-CB 3.31Å; K395-E399 WeakPolarHBondContact O-CB 3.4Å; K395-E399 VanDerWaalsContact O-CG 3.26Å; K395-E399 WeakPolarHBondContact O-CG 3.42Å; K395-E399 PolarHBondContact O-N 2.95Å; E399-E402 CarbonylContact O-C 3.51Å; E399-E402 WeakPolarHBondContact O-CB 3.45Å; E399-E402 PolarHBondContact O-N 3.01Å; E399-Q403 VanDerWaalsContact O-CG 3.29Å; E399-Q403 WeakPolarHBondContact O-CG 3.14Å; E399-Q403 PolarHBondContact O-N 2.84Å
400	A	83	Confident	78.5	Confident	26 Å²	26	58.1 Å²	58.1	22%	0.215	30%	0.299	C	S	.	.	H	α-helix	trans	-75.4	-26.5	171.6	0	0	0	0	0	112.4	L72 A396 E402 A404	L72-A400 HydrophobicContact CD1-CB 3.63Å; A396-A400 WeakPolarHBondContact O-CA 3.29Å; A396-A400 WeakPolarHBondContact O-CB 3.38Å; A396-A400 PolarHBondContact O-N 2.8Å; A400-E402 VanDerWaalsContact C-N 3.32Å; A400-A404 WeakPolarHBondContact O-CB 3.05Å; A400-A404 PolarHBondContact O-N 3.01Å
401	A	85.8	Confident	80.3	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-71.3	-28.2	165.4	0	0	0	0	0	112	L72 I74 K397 A398 A405	L72-A401 HydrophobicContact CB-CB 4.11Å; I74-A401 HydrophobicContact CG1-CB 4.33Å; K397-A401 WeakPolarHBondContact O-CA 3.46Å; K397-A401 WeakPolarHBondContact O-CB 3.18Å; K397-A401 PolarHBondContact O-N 2.92Å; A398-A401 PolarHBondContact O-N 2.83Å; A401-A405 WeakPolarHBondContact O-CB 3.39Å; A401-A405 PolarHBondContact O-N 2.94Å
402	E	88.8	Confident	82.4	Confident	80 Å²	80	51.8 Å²	51.8	37%	0.374	27%	0.274	S	S	.	.	H	α-helix	trans	-76.3	-38	172.9	-172.2	151.4	-132	0	0	111.4	I74 K83 A398 E399 A400 A405 L406	I74-E402 HydrophobicContact CD1-CB 4.17Å; K83-E402 IonicContact NZ-OE1 3.12Å; K83-E402 PolarHBondContact NZ-OE1 3.11Å; K83-E402 IonicContact NZ-OE2 3.85Å; K83-E402 PolarHBondContact NZ-OE2 3.11Å; A398-E402 VanDerWaalsContact O-CB 3.25Å; A398-E402 WeakPolarHBondContact O-CB 3.44Å; A398-E402 PolarHBondContact O-N 2.77Å; E399-E402 CarbonylContact O-C 3.51Å; E399-E402 WeakPolarHBondContact O-CB 3.45Å; E399-E402 PolarHBondContact O-N 3.01Å; A400-E402 VanDerWaalsContact C-N 3.32Å; E402-A405 PolarHBondContact O-N 2.71Å; E402-L406 WeakPolarHBondContact O-CB 3.33Å; E402-L406 WeakPolarHBondContact O-CG 3.38Å; E402-L406 PolarHBondContact O-N 3Å
403	Q	91.4	Very high	84.4	Confident	131 Å²	131	52.1 Å²	52.1	61%	0.612	27%	0.269	S	S	*	.	H	α-helix	trans	-63.2	-43	166.4	-69.4	165.5	0.8	0	0	111.5	E399 L406 A407	E399-Q403 VanDerWaalsContact O-CG 3.29Å; E399-Q403 WeakPolarHBondContact O-CG 3.14Å; E399-Q403 PolarHBondContact O-N 2.84Å; Q403-L406 PolarHBondContact O-N 3.31Å; Q403-A407 WeakPolarHBondContact O-CB 3.45Å; Q403-A407 PolarHBondContact O-N 3.04Å
404	A	91.8	Very high	86.3	Confident	3 Å²	3	50.8 Å²	50.8	3%	0.025	27%	0.265	C	S	.	.	H	α-helix	trans	-66.9	-35.6	175.8	0	0	0	0	0	112.5	Y63 L72 A400 A408	Y63-A404 HydrophobicContact CD2-CB 3.9Å; Y63-A404 HydrophobicContact CE2-CB 3.41Å; Y63-A404 VanDerWaalsContact CE2-CB 3.41Å; L72-A404 HydrophobicContact CB-CB 4.13Å; A400-A404 WeakPolarHBondContact O-CB 3.05Å; A400-A404 PolarHBondContact O-N 3.01Å; A404-A408 WeakPolarHBondContact O-CB 3.21Å; A404-A408 PolarHBondContact O-N 3.45Å
405	A	93	Very high	88.3	Confident	5 Å²	5	50.6 Å²	50.6	4%	0.041	26%	0.264	C	S	.	.	H	α-helix	trans	-70.1	-41	172.7	0	0	0	0	0	111.4	E61 I74 A401 E402 A408 N409	E61-A405 HydrophobicContact CB-CB 3.8Å; I74-A405 HydrophobicContact CB-CB 4.3Å; I74-A405 HydrophobicContact CD1-CB 3.77Å; I74-A405 HydrophobicContact CG1-CB 3.94Å; A401-A405 WeakPolarHBondContact O-CB 3.39Å; A401-A405 PolarHBondContact O-N 2.94Å; E402-A405 PolarHBondContact O-N 2.71Å; A405-A408 PolarHBondContact O-N 3.1Å; A405-N409 WeakPolarHBondContact O-CB 3.24Å; A405-N409 PolarHBondContact O-N 3.03Å; A405-N409 PolarHBondContact O-ND2 3.5Å
406	L	94.8	Very high	89.7	Confident	107 Å²	107	46.1 Å²	46.1	56%	0.56	24%	0.243	S	C	*	.	H	α-helix	trans	-61.8	-44.2	173.5	-75.2	166.8	0	0	0	111.3	E402 Q403 N409 Q410	E402-L406 WeakPolarHBondContact O-CB 3.33Å; E402-L406 WeakPolarHBondContact O-CG 3.38Å; E402-L406 PolarHBondContact O-N 3Å; Q403-L406 PolarHBondContact O-N 3.31Å; L406-N409 PolarHBondContact O-N 3.18Å; L406-Q410 WeakPolarHBondContact O-CG 3.23Å; L406-Q410 PolarHBondContact O-N 2.93Å
407	A	94.8	Very high	90.9	Very high	31 Å²	31	47 Å²	47	26%	0.256	25%	0.245	S	C	.	.	H	α-helix	trans	-61.3	-51.6	172.3	0	0	0	0	0	111.1	Q403 N409 Q410 E411	Q403-A407 WeakPolarHBondContact O-CB 3.45Å; Q403-A407 PolarHBondContact O-N 3.04Å; A407-N409 PolarHBondContact O-N 2.8Å; A407-Q410 CarbonylContact O-C 3.21Å; A407-Q410 WeakPolarHBondContact O-CA 3.21Å; A407-Q410 WeakPolarHBondContact O-CB 3.45Å; A407-Q410 PolarHBondContact O-N 2.74Å; A407-E411 WeakPolarHBondContact O-CG 3.29Å; A407-E411 PolarHBondContact O-N 2.94Å
408	A	95.6	Very high	92	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-57.3	-33.7	176.7	0	0	0	0	0	113.3	V51 A404 A405 S412	V51-A408 HydrophobicContact CG2-CB 4.46Å; A404-A408 WeakPolarHBondContact O-CB 3.21Å; A404-A408 PolarHBondContact O-N 3.45Å; A405-A408 PolarHBondContact O-N 3.1Å; A408-S412 VanDerWaalsContact O-CB 3.27Å; A408-S412 WeakPolarHBondContact O-CB 3.32Å; A408-S412 PolarHBondContact O-N 3.09Å
409	N	95.8	Very high	93.1	Very high	52 Å²	52	46.9 Å²	46.9	28%	0.278	25%	0.245	S	C	.	.	H	α-helix	trans	-71.7	-35.4	171.9	-84.7	-81.5	0	0	0	112.2	V51 E61 A405 L406 A407 S412 N413	V51-N409 HydrophobicContact CG2-CB 4.5Å; E61-N409 PolarHBondContact OE2-ND2 2.78Å; A405-N409 WeakPolarHBondContact O-CB 3.24Å; A405-N409 PolarHBondContact O-N 3.03Å; A405-N409 PolarHBondContact O-ND2 3.5Å; L406-N409 PolarHBondContact O-N 3.18Å; A407-N409 PolarHBondContact O-N 2.8Å; N409-S412 PolarHBondContact O-N 2.81Å; N409-N413 WeakPolarHBondContact O-CB 3.44Å; N409-N413 VanDerWaalsContact O-CG 3.28Å; N409-N413 PolarHBondContact O-N 3.3Å; N409-N413 PolarHBondContact O-ND2 3.35Å
410	Q	96.8	Very high	93.6	Very high	123 Å²	123	49 Å²	49	58%	0.575	25%	0.25	S	C	*	.	H	α-helix	trans	-63.8	-49.6	170.8	-70	166.4	-0.5	0	0	110.8	L406 A407 S412 N413 I414	L406-Q410 WeakPolarHBondContact O-CG 3.23Å; L406-Q410 PolarHBondContact O-N 2.93Å; A407-Q410 CarbonylContact O-C 3.21Å; A407-Q410 WeakPolarHBondContact O-CA 3.21Å; A407-Q410 WeakPolarHBondContact O-CB 3.45Å; A407-Q410 PolarHBondContact O-N 2.74Å; Q410-S412 VanDerWaalsContact C-N 3.31Å; Q410-S412 PolarHBondContact O-N 2.62Å; Q410-N413 PolarHBondContact O-N 2.87Å; Q410-N413 VanDerWaalsContact O-N 3.1Å; Q410-I414 WeakPolarHBondContact O-CG1 3.41Å; Q410-I414 PolarHBondContact O-N 2.91Å
411	E	96.7	Very high	94.1	Very high	47 Å²	47	54.4 Å²	54.4	22%	0.22	27%	0.27	C	S	.	.	H	α-helix	trans	-53.8	-45.9	173	-63.5	-57.3	131.7	0	0	111.7	H26 S41 A49 A407 I414 A415	H26-E411 IonicContact CD2-OE2 2.75Å; H26-E411 PolarHBondContact CD2-OE2 2.91Å; H26-E411 VanDerWaalsContact CD2-OE2 3.28Å; H26-E411 IonicContact NE2-OE2 2.66Å; H26-E411 PolarHBondContact NE2-OE2 3.22Å; S41-E411 WeakPolarHBondContact CB-OE2 3.24Å; A49-E411 HydrophobicContact CB-CG 4.42Å; A407-E411 WeakPolarHBondContact O-CG 3.29Å; A407-E411 PolarHBondContact O-N 2.94Å; E411-I414 PolarHBondContact O-N 3.34Å; E411-A415 VanDerWaalsContact O-CB 3.29Å; E411-A415 WeakPolarHBondContact O-CB 3.49Å; E411-A415 PolarHBondContact O-N 3.29Å
412	S	96.6	Very high	94.5	Very high	4 Å²	4	57.3 Å²	57.3	3%	0.028	29%	0.285	C	S	.	.	H	α-helix	trans	-60.7	-44.3	175.7	178.4	0	0	0	0	112.3	S39 A408 N409 Q410 A415 R416	S39-S412 WeakPolarHBondContact CB-OG 3.39Å; S39-S412 WeakPolarHBondContact O-CA 3.35Å; S39-S412 WeakPolarHBondContact O-CB 3.2Å; S39-S412 PolarHBondContact OG-OG 3.33Å; A408-S412 VanDerWaalsContact O-CB 3.27Å; A408-S412 WeakPolarHBondContact O-CB 3.32Å; A408-S412 PolarHBondContact O-N 3.09Å; N409-S412 PolarHBondContact O-N 2.81Å; Q410-S412 VanDerWaalsContact C-N 3.31Å; Q410-S412 PolarHBondContact O-N 2.62Å; S412-A415 PolarHBondContact O-N 3.22Å; S412-R416 WeakPolarHBondContact O-CB 3.14Å; S412-R416 WeakPolarHBondContact O-CG 3.23Å; S412-R416 PolarHBondContact O-N 3.02Å; S412-R416 PolarHBondContact OG-NE 3.3Å; S412-R416 VanDerWaalsContact OG-NE 3.14Å
413	N	96.2	Very high	94.8	Very high	95 Å²	95	54.2 Å²	54.2	51%	0.508	27%	0.273	S	S	.	.	H	α-helix	trans	-67	-38	179.5	-77	-47.5	0	0	0	112.4	N409 Q410 T417	N409-N413 WeakPolarHBondContact O-CB 3.44Å; N409-N413 VanDerWaalsContact O-CG 3.28Å; N409-N413 PolarHBondContact O-N 3.3Å; N409-N413 PolarHBondContact O-ND2 3.35Å; Q410-N413 PolarHBondContact O-N 2.87Å; Q410-N413 VanDerWaalsContact O-N 3.1Å; N413-T417 WeakPolarHBondContact O-CB 3.34Å; N413-T417 PolarHBondContact O-N 2.76Å; N413-T417 VanDerWaalsContact O-N 3.11Å; N413-T417 PolarHBondContact O-OG1 2.93Å
414	I	96.3	Very high	94.8	Very high	76 Å²	76	52.9 Å²	52.9	39%	0.39	28%	0.276	S	S	.	.	H	α-helix	trans	-64	-51.8	172.6	-62.6	163.5	0	0	0	109.5	H26 Q410 E411 R416 T417 L418	H26-I414 HydrophobicContact CB-CG2 4.07Å; H26-I414 VanDerWaalsContact CD2-CG2 3.49Å; H26-I414 WeakPolarHBondContact CD2-CG2 3.4Å; Q410-I414 WeakPolarHBondContact O-CG1 3.41Å; Q410-I414 PolarHBondContact O-N 2.91Å; E411-I414 PolarHBondContact O-N 3.34Å; I414-R416 VanDerWaalsContact C-N 3.33Å; I414-R416 PolarHBondContact O-N 2.93Å; I414-T417 PolarHBondContact O-N 3.03Å; I414-T417 VanDerWaalsContact O-N 3.11Å; I414-L418 WeakPolarHBondContact O-CB 3.33Å; I414-L418 PolarHBondContact O-N 3.34Å
415	A	96.4	Very high	94.7	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-56.2	-42.1	178.4	0	0	0	0	0	113.1	H26 E411 S412 A419	H26-A415 HydrophobicContact CB-CB 4.15Å; E411-A415 VanDerWaalsContact O-CB 3.29Å; E411-A415 WeakPolarHBondContact O-CB 3.49Å; E411-A415 PolarHBondContact O-N 3.29Å; S412-A415 PolarHBondContact O-N 3.22Å; A415-A419 WeakPolarHBondContact O-CB 3.44Å; A415-A419 PolarHBondContact O-N 2.87Å
416	R	95.1	Very high	94.6	Very high	15 Å²	15	60.5 Å²	60.5	6%	0.057	32%	0.315	C	S	.	.	H	α-helix	trans	-66.5	-35.7	176.6	-75.4	173.7	-167.6	-66.6	-3.8	113.6	L28 E37 S39 S412 I414 R420 Q428	L28-R416 HydrophobicContact CD1-CG 4.21Å; E37-R416 VanDerWaalsContact CD-NH1 3.33Å; E37-R416 IonicContact OE1-CZ 3.56Å; E37-R416 IonicContact OE1-NH1 3.27Å; E37-R416 PolarHBondContact OE1-NH1 3.34Å; E37-R416 IonicContact OE1-NH2 2.92Å; E37-R416 PolarHBondContact OE1-NH2 3.2Å; E37-R416 IonicContact OE2-NH1 2.63Å; E37-R416 PolarHBondContact OE2-NH1 3.43Å; S39-R416 PolarHBondContact OG-NH2 2.86Å; S412-R416 WeakPolarHBondContact O-CB 3.14Å; S412-R416 WeakPolarHBondContact O-CG 3.23Å; S412-R416 PolarHBondContact O-N 3.02Å; S412-R416 PolarHBondContact OG-NE 3.3Å; S412-R416 VanDerWaalsContact OG-NE 3.14Å; I414-R416 VanDerWaalsContact C-N 3.33Å; I414-R416 PolarHBondContact O-N 2.93Å; R416-R420 WeakPolarHBondContact O-CG 3.23Å; R416-R420 PolarHBondContact O-N 2.89Å; R416-Q428 PolarHBondContact O-NE2 2.99Å
417	T	94.7	Very high	94.3	Very high	64 Å²	64	61.6 Å²	61.6	39%	0.393	31%	0.312	S	S	.	.	H	α-helix	trans	-73	-51.2	180	-56	0	0	0	0	109.6	N413 I414 A419 R420 E421	N413-T417 WeakPolarHBondContact O-CB 3.34Å; N413-T417 PolarHBondContact O-N 2.76Å; N413-T417 VanDerWaalsContact O-N 3.11Å; N413-T417 PolarHBondContact O-OG1 2.93Å; I414-T417 PolarHBondContact O-N 3.03Å; I414-T417 VanDerWaalsContact O-N 3.11Å; T417-A419 VanDerWaalsContact C-N 3.26Å; T417-A419 PolarHBondContact O-N 2.9Å; T417-R420 WeakPolarHBondContact O-CB 3.46Å; T417-R420 PolarHBondContact O-N 2.99Å; T417-E421 PolarHBondContact O-N 3.21Å
418	L	94.6	Very high	94.2	Very high	44 Å²	44	61.2 Å²	61.2	23%	0.23	31%	0.305	C	S	.	.	H	α-helix	trans	-57.3	-36.5	173.3	176.2	144.8	0	0	0	112.3	I414 R420 E421 L422	I414-L418 WeakPolarHBondContact O-CB 3.33Å; I414-L418 PolarHBondContact O-N 3.34Å; L418-R420 PolarHBondContact O-N 3.03Å; L418-E421 PolarHBondContact O-N 2.72Å; L418-L422 HydrophobicContact CD2-CD1 3.49Å; L418-L422 VanDerWaalsContact CD2-CD1 3.49Å; L418-L422 HydrophobicContact CD2-CG 4.4Å; L418-L422 HydrophobicContact CG-CD1 4Å; L418-L422 HydrophobicContact CG-CG 4.47Å; L418-L422 WeakPolarHBondContact O-CB 3.27Å; L418-L422 VanDerWaalsContact O-CG 3.3Å; L418-L422 WeakPolarHBondContact O-CG 3.36Å; L418-L422 PolarHBondContact O-N 2.8Å
419	A	94.5	Very high	94	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-65.7	-33	174.2	0	0	0	0	0	113.4	C15 L28 A415 T417 A423 F426	C15-A419 HydrophobicContact CB-CB 4.19Å; L28-A419 HydrophobicContact CB-CB 4.36Å; A415-A419 WeakPolarHBondContact O-CB 3.44Å; A415-A419 PolarHBondContact O-N 2.87Å; T417-A419 VanDerWaalsContact C-N 3.26Å; T417-A419 PolarHBondContact O-N 2.9Å; A419-A423 CarbonylContact O-C 3.48Å; A419-A423 PolarHBondContact O-N 2.84Å; A419-F426 HydrophobicContact CB-CD1 4.27Å
420	R	93.6	Very high	93.6	Very high	127 Å²	127	58.8 Å²	58.8	48%	0.479	29%	0.292	S	S	.	.	H	α-helix	trans	-73.9	-34	173.5	-66.6	169.5	-160.9	133.6	10.1	112.2	R416 T417 L418 P424 Q428	R416-R420 WeakPolarHBondContact O-CG 3.23Å; R416-R420 PolarHBondContact O-N 2.89Å; T417-R420 WeakPolarHBondContact O-CB 3.46Å; T417-R420 PolarHBondContact O-N 2.99Å; L418-R420 PolarHBondContact O-N 3.03Å; R420-P424 WeakPolarHBondContact O-CA 3.32Å; R420-P424 WeakPolarHBondContact O-CD 3.3Å; R420-P424 WeakPolarHBondContact O-CG 3.45Å; R420-Q428 VanDerWaalsContact NH2-OE1 3.07Å
421	E	94.1	Very high	93.4	Very high	138 Å²	138	55.9 Å²	55.9	65%	0.645	29%	0.285	S	S	*	.	H	α-helix	trans	-68.9	-39.6	176.2	-68.7	170	-176.8	0	0	111.7	T417 L418	T417-E421 PolarHBondContact O-N 3.21Å; L418-E421 PolarHBondContact O-N 2.72Å
422	L	93.9	Very high	93.1	Very high	62 Å²	62	57.9 Å²	57.9	33%	0.325	29%	0.294	S	S	.	.	H	α-helix	trans	-79.9	-33	178.5	-67.8	174.4	0	0	0	113.6	L418	L418-L422 HydrophobicContact CD2-CD1 3.49Å; L418-L422 VanDerWaalsContact CD2-CD1 3.49Å; L418-L422 HydrophobicContact CD2-CG 4.4Å; L418-L422 HydrophobicContact CG-CD1 4Å; L418-L422 HydrophobicContact CG-CG 4.47Å; L418-L422 WeakPolarHBondContact O-CB 3.27Å; L418-L422 VanDerWaalsContact O-CG 3.3Å; L418-L422 WeakPolarHBondContact O-CG 3.36Å; L418-L422 PolarHBondContact O-N 2.8Å
423	A	93.7	Very high	92.8	Very high	14 Å²	14	58.9 Å²	58.9	12%	0.116	30%	0.297	C	S	.	.			trans	-149.7	88.4	-179.4	0	0	0	0	0	111.1	R5 A419 D425 F426	R5-A423 HydrophobicContact CB-CB 4.37Å; A419-A423 CarbonylContact O-C 3.48Å; A419-A423 PolarHBondContact O-N 2.84Å; A423-D425 PolarHBondContact O-N 2.83Å; A423-F426 HydrophobicContact CB-CB 3.71Å; A423-F426 WeakPolarHBondContact O-CB 3.23Å; A423-F426 PolarHBondContact O-N 3.02Å
424	P	92	Very high	92.4	Very high	103 Å²	103	57.9 Å²	57.9	67%	0.669	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-35.9	-178.9	-27.9	35.3	0	0	0	114.3	R420 F426	R420-P424 WeakPolarHBondContact O-CA 3.32Å; R420-P424 WeakPolarHBondContact O-CD 3.3Å; R420-P424 WeakPolarHBondContact O-CG 3.45Å; P424-F426 VanDerWaalsContact C-N 3.25Å; P424-F426 PolarHBondContact O-N 2.8Å
425	D	90.7	Very high	92.1	Very high	153 Å²	153	60.9 Å²	60.9	82%	0.818	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	4.8	179.3	-52.6	-55.5	0	0	0	113.7	A423 Y427	A423-D425 PolarHBondContact O-N 2.83Å; D425-Y427 PolarHBondContact O-N 2.89Å
426	F	89.9	Confident	91.7	Very high	16 Å²	16	68.1 Å²	68.1	7%	0.07	33%	0.327	C	S	.	.			trans	-79.5	109.3	179.8	178.7	-124.4	0	0	0	111.6	A13 C15 L28 T30 A419 A423 P424 Q428	A13-F426 HydrophobicContact CB-CE2 3.94Å; C15-F426 HydrophobicContact CB-CD1 3.59Å; C15-F426 HydrophobicContact CB-CE1 3.58Å; C15-F426 HydrophobicContact CB-CG 4.23Å; C15-F426 HydrophobicContact CB-CZ 4.23Å; L28-F426 HydrophobicContact CB-CE1 4.32Å; L28-F426 HydrophobicContact CD1-CE1 4.17Å; L28-F426 HydrophobicContact CD2-CE1 3.72Å; L28-F426 HydrophobicContact CD2-CZ 3.86Å; L28-F426 HydrophobicContact CG-CE1 4.28Å; T30-F426 HydrophobicContact CG2-CZ 4.22Å; A419-F426 HydrophobicContact CB-CD1 4.27Å; A423-F426 HydrophobicContact CB-CB 3.71Å; A423-F426 WeakPolarHBondContact O-CB 3.23Å; A423-F426 PolarHBondContact O-N 3.02Å; P424-F426 VanDerWaalsContact C-N 3.25Å; P424-F426 PolarHBondContact O-N 2.8Å; F426-Q428 HydrophobicContact CD1-CG 4.48Å; F426-Q428 PolarHBondContact O-N 2.83Å
427	Y	89.4	Confident	91.3	Very high	129 Å²	129	69.9 Å²	69.9	51%	0.506	33%	0.333	S	S	.	.			trans	-66.4	125.9	179.3	175	-118.4	0	0	0	112.5	D425 P429	D425-Y427 PolarHBondContact O-N 2.89Å; Y427-P429 HydrophobicContact CD1-CB 4.39Å; Y427-P429 HydrophobicContact CE1-CB 3.63Å; Y427-P429 HydrophobicContact CE1-CG 4.26Å; Y427-P429 WeakPolarHBondContact O-CD 3.1Å
428	Q	91.9	Very high	90.9	Very high	23 Å²	23	71.8 Å²	71.8	11%	0.107	34%	0.341	C	S	.	.			trans	-109.6	94.4	-179.6	-55.7	-174.5	-1.4	0	0	109.5	L28 E37 R416 R420 F426 G430 P431	L28-Q428 HydrophobicContact CD1-CB 4.11Å; L28-Q428 HydrophobicContact CD1-CG 3.66Å; E37-Q428 WeakPolarHBondContact OE2-CA 3.45Å; R416-Q428 PolarHBondContact O-NE2 2.99Å; R420-Q428 VanDerWaalsContact NH2-OE1 3.07Å; F426-Q428 HydrophobicContact CD1-CG 4.48Å; F426-Q428 PolarHBondContact O-N 2.83Å; Q428-G430 PolarHBondContact O-N 3.06Å; Q428-P431 WeakPolarHBondContact O-CD 3.45Å
429	P	90.8	Very high	90.5	Very high	1 Å²	1	74.3 Å²	74.3	1%	0.006	35%	0.354	C	S	.	.			trans	-74.4	-17.1	-172.1	27.5	-34.9	0	0	0	115.5	T30 E37 Y427 E432 Y433	T30-P429 HydrophobicContact CG2-CG 3.99Å; E37-P429 HydrophobicContact CB-CG 4.27Å; E37-P429 HydrophobicContact CG-CG 4.48Å; E37-P429 VanDerWaalsContact OE2-CD 3.31Å; E37-P429 WeakPolarHBondContact OE2-CD 3.28Å; E37-P429 VanDerWaalsContact OE2-N 3.14Å; Y427-P429 HydrophobicContact CD1-CB 4.39Å; Y427-P429 HydrophobicContact CE1-CB 3.63Å; Y427-P429 HydrophobicContact CE1-CG 4.26Å; Y427-P429 WeakPolarHBondContact O-CD 3.1Å; P429-E432 WeakPolarHBondContact O-CB 3.23Å; P429-E432 PolarHBondContact O-N 2.89Å; P429-E432 VanDerWaalsContact O-N 3.1Å; P429-Y433 HydrophobicContact CB-CD2 4.3Å; P429-Y433 HydrophobicContact CB-CE1 4.36Å; P429-Y433 HydrophobicContact CB-CE2 3.67Å; P429-Y433 HydrophobicContact CG-CE2 4.05Å; P429-Y433 WeakPolarHBondContact O-CD2 3.18Å; P429-Y433 PolarHBondContact O-N 2.86Å; P429-Y433 VanDerWaalsContact O-N 3.08Å
430	G	88.8	Confident	89.9	Confident	0 Å²	0	79.7 Å²	79.7	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-54.6	-51.3	-174	0	0	0	0	0	114.6	E37 Q428 E432 Y433 Q434	E37-G430 VanDerWaalsContact CD-N 3.31Å; E37-G430 WeakPolarHBondContact OE1-CA 3.35Å; E37-G430 PolarHBondContact OE2-N 2.85Å; Q428-G430 PolarHBondContact O-N 3.06Å; G430-E432 VanDerWaalsContact C-N 3.26Å; G430-E432 PolarHBondContact O-N 3.19Å; G430-Y433 PolarHBondContact O-N 2.84Å; G430-Q434 WeakPolarHBondContact O-CG 3.47Å; G430-Q434 PolarHBondContact O-N 3.08Å; G430-Q434 VanDerWaalsContact O-N 3.09Å
431	P	90.6	Very high	89.1	Confident	63 Å²	63	75.3 Å²	75.3	41%	0.409	36%	0.364	S	S	.	.	H	α-helix	trans	-60.5	-32	177.2	-25.4	36.1	0	0	0	113.5	Q428 K435	Q428-P431 WeakPolarHBondContact O-CD 3.45Å; P431-K435 VanDerWaalsContact O-CB 3.25Å; P431-K435 WeakPolarHBondContact O-CB 3.45Å; P431-K435 PolarHBondContact O-N 3.22Å
432	E	90.3	Very high	88.6	Confident	88 Å²	88	73.3 Å²	73.3	41%	0.411	36%	0.357	S	S	.	.	H	α-helix	trans	-69.1	-42.9	174.7	-75.5	-152.6	-163.9	0	0	112.4	P429 G430 Q434 K435 R436	P429-E432 WeakPolarHBondContact O-CB 3.23Å; P429-E432 PolarHBondContact O-N 2.89Å; P429-E432 VanDerWaalsContact O-N 3.1Å; G430-E432 VanDerWaalsContact C-N 3.26Å; G430-E432 PolarHBondContact O-N 3.19Å; E432-Q434 VanDerWaalsContact C-N 3.33Å; E432-Q434 PolarHBondContact O-N 2.84Å; E432-K435 PolarHBondContact O-N 2.87Å; E432-R436 WeakPolarHBondContact O-CB 3.22Å; E432-R436 PolarHBondContact O-N 3.42Å; E432-R436 IonicContact OE2-NH2 3.62Å
433	Y	91.8	Very high	87.8	Confident	26 Å²	26	74.9 Å²	74.9	10%	0.102	37%	0.365	C	S	.	.	H	α-helix	trans	-60.7	-44.2	176.3	-59.9	-39	0	0	0	111.3	G34 G36 T53 P55 G57 P429 G430 R436 R437	G34-Y433 PolarHBondContact O-OH 2.86Å; G36-Y433 PolarHBondContact N-OH 2.88Å; T53-Y433 HydrophobicContact CG2-CD2 4.08Å; T53-Y433 HydrophobicContact CG2-CG 4.5Å; P55-Y433 HydrophobicContact CB-CD1 4.39Å; P55-Y433 HydrophobicContact CB-CE1 3.97Å; P55-Y433 HydrophobicContact CB-CE2 4.42Å; P55-Y433 HydrophobicContact CG-CE2 4.33Å; P55-Y433 WeakPolarHBondContact O-CD1 3.29Å; G57-Y433 VanDerWaalsContact CA-O 3.26Å; G57-Y433 WeakPolarHBondContact CA-O 3.34Å; P429-Y433 HydrophobicContact CB-CD2 4.3Å; P429-Y433 HydrophobicContact CB-CE1 4.36Å; P429-Y433 HydrophobicContact CB-CE2 3.67Å; P429-Y433 HydrophobicContact CG-CE2 4.05Å; P429-Y433 WeakPolarHBondContact O-CD2 3.18Å; P429-Y433 PolarHBondContact O-N 2.86Å; P429-Y433 VanDerWaalsContact O-N 3.08Å; G430-Y433 PolarHBondContact O-N 2.84Å; Y433-R436 PolarHBondContact O-N 3.47Å; Y433-R437 PolarHBondContact O-N 3.48Å
434	Q	87.9	Confident	86.7	Confident	73 Å²	73	77.9 Å²	77.9	34%	0.341	38%	0.377	S	S	.	.	H	α-helix	trans	-63.1	-47.9	176.6	-65.3	176.1	18.3	0	0	111.6	T53 T59 G430 E432 R436 R437 L438	T53-Q434 HydrophobicContact CG2-CG 3.85Å; T53-Q434 PolarHBondContact OG1-NE2 3.41Å; T59-Q434 HydrophobicContact CG2-CG 4.13Å; G430-Q434 WeakPolarHBondContact O-CG 3.47Å; G430-Q434 PolarHBondContact O-N 3.08Å; G430-Q434 VanDerWaalsContact O-N 3.09Å; E432-Q434 VanDerWaalsContact C-N 3.33Å; E432-Q434 PolarHBondContact O-N 2.84Å; Q434-R436 VanDerWaalsContact C-N 3.35Å; Q434-R436 PolarHBondContact O-N 3.38Å; Q434-R437 PolarHBondContact O-N 2.89Å; Q434-L438 WeakPolarHBondContact O-CB 3.4Å; Q434-L438 PolarHBondContact O-N 3.3Å
435	K	89.3	Confident	85.5	Confident	139 Å²	139	75.9 Å²	75.9	60%	0.604	36%	0.36	S	S	*	.	H	α-helix	trans	-59.7	-42.4	176.5	-178.2	-179.4	177.9	-176.4	0	112.2	P431 E432 L438 L439	P431-K435 VanDerWaalsContact O-CB 3.25Å; P431-K435 WeakPolarHBondContact O-CB 3.45Å; P431-K435 PolarHBondContact O-N 3.22Å; E432-K435 PolarHBondContact O-N 2.87Å; K435-L438 PolarHBondContact O-N 3.37Å; K435-L439 HydrophobicContact CG-CD1 4.13Å; K435-L439 WeakPolarHBondContact O-CB 3.12Å; K435-L439 WeakPolarHBondContact O-CG 3.19Å; K435-L439 PolarHBondContact O-N 2.79Å
436	R	88.1	Confident	84.2	Confident	153 Å²	153	70.5 Å²	70.5	58%	0.577	34%	0.335	S	S	*	.	H	α-helix	trans	-64	-45.2	179.9	-168.9	179.2	-55.8	-144.8	0.7	111.6	E432 Y433 Q434 L439 Q440	E432-R436 WeakPolarHBondContact O-CB 3.22Å; E432-R436 PolarHBondContact O-N 3.42Å; E432-R436 IonicContact OE2-NH2 3.62Å; Y433-R436 PolarHBondContact O-N 3.47Å; Q434-R436 VanDerWaalsContact C-N 3.35Å; Q434-R436 PolarHBondContact O-N 3.38Å; R436-L439 PolarHBondContact O-N 2.88Å; R436-Q440 PolarHBondContact O-N 3.48Å
437	R	87.2	Confident	82.4	Confident	51 Å²	51	75.3 Å²	75.3	19%	0.192	36%	0.357	C	S	.	.	H	α-helix	trans	-62.4	-44	173.5	175	-173.7	150.2	-135.5	-12.4	112	G57 G78 Y433 Q434 Q440 E441	G57-R437 VanDerWaalsContact C-CD 3.46Å; G57-R437 WeakPolarHBondContact O-CD 3.22Å; G57-R437 PolarHBondContact O-NH1 3.12Å; G78-R437 PolarHBondContact O-NH2 2.77Å; Y433-R437 PolarHBondContact O-N 3.48Å; Q434-R437 PolarHBondContact O-N 2.89Å; R437-Q440 PolarHBondContact O-N 2.73Å; R437-E441 PolarHBondContact O-N 3.21Å
438	L	85.1	Confident	80.3	Confident	104 Å²	104	72.8 Å²	72.8	55%	0.545	36%	0.358	S	S	.	.	H	α-helix	trans	-65.3	-39.2	179.6	-180	142.3	0	0	0	111.9	Q434 K435 E441 I442	Q434-L438 WeakPolarHBondContact O-CB 3.4Å; Q434-L438 PolarHBondContact O-N 3.3Å; K435-L438 PolarHBondContact O-N 3.37Å; L438-E441 PolarHBondContact O-N 2.75Å; L438-I442 HydrophobicContact CD2-CD1 3.62Å; L438-I442 HydrophobicContact CG-CD1 4.34Å; L438-I442 VanDerWaalsContact O-CG1 3.3Å; L438-I442 WeakPolarHBondContact O-CG1 3.5Å; L438-I442 PolarHBondContact O-N 3.39Å
439	L	86.2	Confident	77.9	Confident	98 Å²	98	78.8 Å²	78.8	51%	0.513	39%	0.39	S	S	.	.	H	α-helix	trans	-63.5	-39.8	171.7	-74.1	169.9	0	0	0	112.1	K435 R436 I442 L443	K435-L439 HydrophobicContact CG-CD1 4.13Å; K435-L439 WeakPolarHBondContact O-CB 3.12Å; K435-L439 WeakPolarHBondContact O-CG 3.19Å; K435-L439 PolarHBondContact O-N 2.79Å; R436-L439 PolarHBondContact O-N 2.88Å; L439-I442 PolarHBondContact O-N 2.75Å; L439-L443 WeakPolarHBondContact O-CB 3.43Å; L439-L443 PolarHBondContact O-N 3.37Å
440	Q	83	Confident	75.5	Confident	112 Å²	112	85 Å²	85	52%	0.523	42%	0.423	S	S	.	.	H	α-helix	trans	-64.8	-45.2	174.6	-174.6	-176	-30.1	0	0	112	R436 R437 I442 L443 E444	R436-Q440 PolarHBondContact O-N 3.48Å; R437-Q440 PolarHBondContact O-N 2.73Å; Q440-I442 VanDerWaalsContact C-N 3.3Å; Q440-I442 PolarHBondContact O-N 2.95Å; Q440-L443 PolarHBondContact O-N 2.86Å; Q440-L443 VanDerWaalsContact O-N 3.11Å; Q440-E444 HydrophobicContact CG-CG 4.42Å; Q440-E444 PolarHBondContact NE2-OE1 2.75Å; Q440-E444 WeakPolarHBondContact O-CG 3.16Å; Q440-E444 PolarHBondContact O-N 3.34Å
441	E	77.4	Confident	72.8	Confident	36 Å²	36	91.9 Å²	91.9	17%	0.168	46%	0.455	C	S	.	.	H	α-helix	trans	-64.7	-34.4	177.4	-176.7	164.4	-173.2	0	0	111.6	R79 S101 R437 L438 N445	R79-E441 IonicContact NE-OE1 3Å; S101-E441 PolarHBondContact OG-OE1 2.58Å; R437-E441 PolarHBondContact O-N 3.21Å; L438-E441 PolarHBondContact O-N 2.75Å; E441-N445 VanDerWaalsContact O-CB 3.25Å; E441-N445 WeakPolarHBondContact O-CB 3.42Å; E441-N445 PolarHBondContact O-N 3.09Å; E441-N445 VanDerWaalsContact O-N 3.1Å; E441-N445 PolarHBondContact O-ND2 3.26Å
442	I	81.7	Confident	70.2	Confident	96 Å²	96	94 Å²	94	49%	0.492	47%	0.469	S	S	.	.	H	α-helix	trans	-64.5	-43.9	170.2	-71.2	169.8	0	0	0	111.3	L438 L439 Q440 N445 S446	L438-I442 HydrophobicContact CD2-CD1 3.62Å; L438-I442 HydrophobicContact CG-CD1 4.34Å; L438-I442 VanDerWaalsContact O-CG1 3.3Å; L438-I442 WeakPolarHBondContact O-CG1 3.5Å; L438-I442 PolarHBondContact O-N 3.39Å; L439-I442 PolarHBondContact O-N 2.75Å; Q440-I442 VanDerWaalsContact C-N 3.3Å; Q440-I442 PolarHBondContact O-N 2.95Å; I442-N445 PolarHBondContact O-N 3.42Å; I442-S446 WeakPolarHBondContact O-CB 3.49Å; I442-S446 PolarHBondContact O-N 3.08Å; I442-S446 PolarHBondContact O-OG 2.75Å
443	L	77.9	Confident	67.6	Low	94 Å²	94	95.6 Å²	95.6	49%	0.492	49%	0.487	S	S	.	.	H	α-helix	trans	-63.5	-51	179.4	-165.5	74	0	0	0	111.3	L439 Q440 N445 S446 E447	L439-L443 WeakPolarHBondContact O-CB 3.43Å; L439-L443 PolarHBondContact O-N 3.37Å; Q440-L443 PolarHBondContact O-N 2.86Å; Q440-L443 VanDerWaalsContact O-N 3.11Å; L443-N445 PolarHBondContact O-N 3.22Å; L443-S446 PolarHBondContact O-N 2.98Å; L443-S446 PolarHBondContact O-OG 3.19Å; L443-S446 VanDerWaalsContact O-OG 3.1Å; L443-E447 HydrophobicContact CG-CG 4.41Å; L443-E447 WeakPolarHBondContact O-CG 3.4Å; L443-E447 PolarHBondContact O-N 2.69Å
444	E	71.6	Confident	64.8	Low	78 Å²	78	101.7 Å²	101.7	36%	0.364	52%	0.521	S	S	.	.	H	α-helix	trans	-54.4	-38.4	175.1	-70.8	172	-166.9	0	0	112.1	R79 Q440 S448	R79-E444 IonicContact CZ-OE2 3.99Å; R79-E444 IonicContact NE-OE2 3.43Å; R79-E444 IonicContact NH2-OE2 3.94Å; R79-E444 PolarHBondContact NH2-OE2 3.14Å; Q440-E444 HydrophobicContact CG-CG 4.42Å; Q440-E444 PolarHBondContact NE2-OE1 2.75Å; Q440-E444 WeakPolarHBondContact O-CG 3.16Å; Q440-E444 PolarHBondContact O-N 3.34Å; E444-S448 VanDerWaalsContact O-CB 3.26Å; E444-S448 WeakPolarHBondContact O-CB 3.14Å; E444-S448 PolarHBondContact O-N 2.95Å
445	N	66.5	Low	62.1	Low	61 Å²	61	109.8 Å²	109.8	33%	0.326	55%	0.549	S	S	.	.	H	α-helix	trans	-78.5	-25.4	178.9	-70.1	-26.1	0	0	0	113.3	R79 E441 I442 L443 L449	R79-N445 PolarHBondContact NH1-OD1 2.87Å; R79-N445 PolarHBondContact NH2-OD1 3.39Å; E441-N445 VanDerWaalsContact O-CB 3.25Å; E441-N445 WeakPolarHBondContact O-CB 3.42Å; E441-N445 PolarHBondContact O-N 3.09Å; E441-N445 VanDerWaalsContact O-N 3.1Å; E441-N445 PolarHBondContact O-ND2 3.26Å; I442-N445 PolarHBondContact O-N 3.42Å; L443-N445 PolarHBondContact O-N 3.22Å; N445-L449 WeakPolarHBondContact O-CD1 3.12Å; N445-L449 WeakPolarHBondContact O-CG 3.49Å
446	S	63.3	Low	59.2	Low	39 Å²	39	106.1 Å²	106.1	27%	0.273	55%	0.55	S	S	.	*	H	α-helix	trans	-89.4	-36.1	-179.9	68.8	0	0	0	0	112.7	I442 L443 S448 L449 L450	I442-S446 WeakPolarHBondContact O-CB 3.49Å; I442-S446 PolarHBondContact O-N 3.08Å; I442-S446 PolarHBondContact O-OG 2.75Å; L443-S446 PolarHBondContact O-N 2.98Å; L443-S446 PolarHBondContact O-OG 3.19Å; L443-S446 VanDerWaalsContact O-OG 3.1Å; S446-S448 VanDerWaalsContact C-N 3.27Å; S446-S448 PolarHBondContact O-N 3.35Å; S446-L449 CarbonylContact O-C 3.57Å; S446-L449 WeakPolarHBondContact O-CA 3.18Å; S446-L449 WeakPolarHBondContact O-CB 3.15Å; S446-L449 PolarHBondContact O-N 2.81Å; S446-L450 WeakPolarHBondContact O-CB 3.49Å; S446-L450 VanDerWaalsContact O-CG 3.31Å; S446-L450 WeakPolarHBondContact O-CG 3.45Å; S446-L450 PolarHBondContact O-N 3.46Å; S446-L450 VanDerWaalsContact O-N 3.15Å
447	E	50.8	Low	56.6	Low	117 Å²	117	104.1 Å²	104.1	55%	0.547	57%	0.567	S	S	.	*	H	α-helix	trans	-60.4	-41	167.5	-68.5	-178.9	145.4	0	0	110.2	L443 L449 L450 E451	L443-E447 HydrophobicContact CG-CG 4.41Å; L443-E447 WeakPolarHBondContact O-CG 3.4Å; L443-E447 PolarHBondContact O-N 2.69Å; E447-L449 PolarHBondContact O-N 2.78Å; E447-L450 PolarHBondContact O-N 2.73Å; E447-E451 PolarHBondContact O-N 3.1Å
448	S	45.4	Very low	53.8	Low	76 Å²	76	105.5 Å²	105.5	53%	0.531	60%	0.597	S	S	.	*	H	α-helix	trans	-62.9	-3	170.4	-177.1	0	0	0	0	115	E444 S446	E444-S448 VanDerWaalsContact O-CB 3.26Å; E444-S448 WeakPolarHBondContact O-CB 3.14Å; E444-S448 PolarHBondContact O-N 2.95Å; S446-S448 VanDerWaalsContact C-N 3.27Å; S446-S448 PolarHBondContact O-N 3.35Å
449	L	43	Very low	51.2	Low	149 Å²	149	105.7 Å²	105.7	78%	0.78	61%	0.614	S	S	*	*	H	α-helix	trans	-117.6	-5.9	174.3	-72.1	170.2	0	0	0	113.4	N445 S446 E447	N445-L449 WeakPolarHBondContact O-CD1 3.12Å; N445-L449 WeakPolarHBondContact O-CG 3.49Å; S446-L449 CarbonylContact O-C 3.57Å; S446-L449 WeakPolarHBondContact O-CA 3.18Å; S446-L449 WeakPolarHBondContact O-CB 3.15Å; S446-L449 PolarHBondContact O-N 2.81Å; E447-L449 PolarHBondContact O-N 2.78Å
450	L	38.9	Very low	48.6	Very low	133 Å²	133	106.1 Å²	106.1	70%	0.696	63%	0.631	S	S	*	*	H	α-helix	trans	-122.8	-6	-167.6	-72.9	173.5	0	0	0	115.5	S446 E447 P452	S446-L450 WeakPolarHBondContact O-CB 3.49Å; S446-L450 VanDerWaalsContact O-CG 3.31Å; S446-L450 WeakPolarHBondContact O-CG 3.45Å; S446-L450 PolarHBondContact O-N 3.46Å; S446-L450 VanDerWaalsContact O-N 3.15Å; E447-L450 PolarHBondContact O-N 2.73Å; L450-P452 WeakPolarHBondContact O-CD 3.22Å
451	E	32.4	Very low	46	Very low	144 Å²	144	104.2 Å²	104.2	67%	0.673	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-63.9	117	170.1	-77.7	-165.2	149.3	0	0	111.9	L159 E447	L159-E451 WeakPolarHBondContact CD1-OE2 3.21Å; E447-E451 PolarHBondContact O-N 3.1Å
452	P	35.5	Very low	43.8	Very low	106 Å²	106	110.9 Å²	110.9	69%	0.688	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-80.4	159.8	162.2	35.9	-31.4	0	0	0	109.8	L450 D454	L450-P452 WeakPolarHBondContact O-CD 3.22Å; P452-D454 PolarHBondContact O-N 2.61Å
453	P	36	Very low	41.7	Very low	122 Å²	122	111.8 Å²	111.8	79%	0.792	69%	0.689	S	S	*	*	S	Bend	trans	-59.8	136.7	174.7	25.7	-34.3	0	0	0	111.5	R455	P453-R455 PolarHBondContact O-N 3.3Å
454	D	32.9	Very low	39.6	Very low	155 Å²	155	116 Å²	116	83%	0.829	71%	0.707	S	S	*	*			trans	-43.9	116.6	-172.9	-175.6	10.5	0	0	0	113.8	P452 G456	P452-D454 PolarHBondContact O-N 2.61Å; D454-G456 PolarHBondContact O-N 3.17Å; D454-G456 VanDerWaalsContact O-N 3.09Å
455	R	32	Very low	37.8	Very low	242 Å²	242	117 Å²	117	91%	0.913	72%	0.719	S	S	*	*			trans	-80.5	86.9	169.4	-86.6	-167.8	172.9	-169.9	0.1	109	P453	P453-R455 PolarHBondContact O-N 3.3Å
456	G	29.1	Very low	36.2	Very low	62 Å²	62	120 Å²	120	64%	0.639	74%	0.742	S	S	*	*			trans	-45.5	137.2	176.7	0	0	0	0	0	113.5	D454	D454-G456 PolarHBondContact O-N 3.17Å; D454-G456 VanDerWaalsContact O-N 3.09Å
457	A	32.3	Very low	34.8	Very low	112 Å²	112	129.8 Å²	129.8	93%	0.926	77%	0.773	S	S	*	*	S	Bend	trans	-64.3	136.8	-169.1	0	0	0	0	0	114
458	G	28.7	Very low	33.9	Very low	80 Å²	80	133.2 Å²	133.2	83%	0.825	79%	0.789	S	S	*	*			trans	153.7	71.7	163.2	0	0	0	0	0	118.5
459	A	30.6	Very low	33.4	Very low	108 Å²	108	135 Å²	135	89%	0.893	80%	0.802	S	S	*	*			trans	-161.2	149.9	150	0	0	0	0	0	110.1
460	A	31.9	Very low	33.1	Very low	106 Å²	106	134.2 Å²	134.2	88%	0.876	81%	0.806	S	S	*	*			trans	-139.1	157.9	-174.5	0	0	0	0	0	113.5
461	G	28.3	Very low	32.8	Very low	72 Å²	72	136.9 Å²	136.9	74%	0.742	82%	0.815	S	S	*	*			trans	97.2	124.9	172	0	0	0	0	0	113
462	L	30.5	Very low	32.7	Very low	177 Å²	177	138 Å²	138	93%	0.927	82%	0.824	S	S	*	*			cis	-144.6	172.9	47	-84.1	164	0	0	0	113
463	P	39.1	Very low	32.4	Very low	114 Å²	114	142.2 Å²	142.2	74%	0.74	83%	0.834	S	S	*	*			trans	-98.2	156.9	-165.5	37.8	-35.4	0	0	0	115.5
464	E	32	Very low	32.2	Very low	184 Å²	184	145.4 Å²	145.4	86%	0.86	84%	0.839	S	S	*	*			trans	-134.6	158.7	166.2	-93.9	-95.9	115.4	0	0	108.6
465	P	34.5	Very low	32.1	Very low	97 Å²	97	149.1 Å²	149.1	63%	0.63	84%	0.841	S	S	*	*			trans	-80.7	158.3	-155.7	30.5	-36.2	0	0	0	115.8
466	P	33	Very low	31.8	Very low	124 Å²	124	145.4 Å²	145.4	81%	0.805	83%	0.834	S	S	*	*			trans	-68.2	146.2	-179.8	29.7	-35.8	0	0	0	112.4
467	R	34.1	Very low	31.8	Very low	245 Å²	245	149 Å²	149	93%	0.925	84%	0.844	S	S	*	*			trans	-110.1	132.4	163.2	-71.4	-173.9	173.8	-171.4	-2.2	109.2
468	E	31.4	Very low	32.1	Very low	190 Å²	190	149.4 Å²	149.4	89%	0.888	84%	0.837	S	S	*	*			trans	-79.8	155.5	-167.3	-61.7	174.5	129.5	0	0	112.8
469	S	35.1	Very low	32.2	Very low	113 Å²	113	156.4 Å²	156.4	79%	0.79	84%	0.838	S	S	*	*			trans	-88.4	126.9	173.2	-61.5	0	0	0	0	110.1	Q471	S469-Q471 PolarHBondContact O-N 2.71Å
470	P	37.4	Very low	32.7	Very low	133 Å²	133	157.2 Å²	157.2	86%	0.864	84%	0.835	S	S	*	*			trans	-78.1	107.9	173.2	30.3	-31.8	0	0	0	110.4
471	Q	31.3	Very low	32.7	Very low	189 Å²	189	161.1 Å²	161.1	88%	0.883	84%	0.835	S	S	*	*			trans	-97.4	154.6	157.6	-84.1	-167.5	-32.3	0	0	110.9	S469	S469-Q471 PolarHBondContact O-N 2.71Å
472	L	31.1	Very low	32.9	Very low	168 Å²	168	161.8 Å²	161.8	88%	0.88	84%	0.841	S	S	*	*			trans	-42.9	141.2	-177.2	-65.1	156	0	0	0	115.1
473	H	29.8	Very low	32.8	Very low	194 Å²	194	156.8 Å²	156.8	90%	0.898	83%	0.833	S	S	*	*			trans	-145.5	145.1	143.1	-113.4	62.4	0	0	0	111.1
474	E	32.3	Very low	33.4	Very low	188 Å²	188	157.3 Å²	157.3	88%	0.879	84%	0.836	S	S	*	*			trans	-81.9	153.6	178.5	-63.1	163.1	88.9	0	0	111.7
475	R	28.8	Very low	34.2	Very low	233 Å²	233	154.2 Å²	154.2	88%	0.879	83%	0.832	S	S	*	*			trans	-154.3	149.7	143.3	-147.5	164.6	-179.2	170	-0.5	113.5
476	E	27.7	Very low	34.3	Very low	165 Å²	165	154.9 Å²	154.9	77%	0.771	84%	0.839	S	S	*	*			trans	-84.9	158.9	-168.5	-41.4	126.1	103.4	0	0	114.1
477	T	27.9	Very low	35.1	Very low	138 Å²	138	155 Å²	155	85%	0.847	84%	0.84	S	S	*	*			trans	-157.8	170.6	140.3	46.8	0	0	0	0	108
478	P	38.4	Very low	35.1	Very low	120 Å²	120	148.2 Å²	148.2	78%	0.779	84%	0.836	S	S	*	*				-121.4	175.7	-84.4	31.5	-11.6	0	0	0	114.1
479	R	31.5	Very low	35.1	Very low	226 Å²	226	142.8 Å²	142.8	85%	0.853	83%	0.831	S	S	*	*			trans	-77.9	158.7	171.2	-64.8	-177	-178	175.7	0.6	112.8
480	P	40.4	Very low	35.1	Very low	125 Å²	125	144.1 Å²	144.1	81%	0.812	84%	0.835	S	S	*	*			trans	-113.3	167.1	131.2	35.5	-31.1	0	0	0	112.2
481	E	33.1	Very low	35.8	Very low	189 Å²	189	143.3 Å²	143.3	88%	0.883	83%	0.829	S	S	*	*			trans	-102.4	161	-179.3	-56.8	-169.6	128.9	0	0	112.7
482	G	32.2	Very low	36.7	Very low	85 Å²	85	140 Å²	140	88%	0.876	82%	0.824	S	S	*	*			trans	146.7	116.4	164.1	0	0	0	0	0	116.5
483	G	27.5	Very low	37.2	Very low	72 Å²	72	140.3 Å²	140.3	74%	0.742	82%	0.821	S	S	*	*			trans	-154.9	-165.7	161.6	0	0	0	0	0	107.8
484	P	52.3	Low	38	Very low	125 Å²	125	136.4 Å²	136.4	81%	0.812	81%	0.813	S	S	*	*			cis	-118.7	-147.3	-6.2	41.9	-23.4	0	0	0	108.8
485	P	48.6	Very low	37.9	Very low	120 Å²	120	136.4 Å²	136.4	78%	0.779	81%	0.81	S	S	*	*			cis	-132.9	-179.1	-6.4	42	-23.4	0	0	0	116.8
486	S	37.1	Very low	38	Very low	110 Å²	110	137 Å²	137	77%	0.769	81%	0.812	S	S	*	*			trans	-87.4	167.9	174.2	-43.7	0	0	0	0	113.6
487	P	49.8	Very low	38.4	Very low	127 Å²	127	134.5 Å²	134.5	83%	0.825	81%	0.81	S	S	*	*				-137.2	171.7	110.4	35.5	-23.8	0	0	0	111.8
488	A	33.5	Very low	38.8	Very low	102 Å²	102	139.3 Å²	139.3	84%	0.843	81%	0.813	S	S	*	*			cis	166.7	132.8	-24	0	0	0	0	0	104.8
489	G	30.7	Very low	39	Very low	76 Å²	76	139.9 Å²	139.9	78%	0.784	82%	0.817	S	S	*	*			trans	171.1	109.2	-179.7	0	0	0	0	0	116.5
490	T	35.9	Very low	38.9	Very low	142 Å²	142	132.5 Å²	132.5	87%	0.871	81%	0.811	S	S	*	*			trans	-175.3	164.7	173.1	-1.7	0	0	0	0	106
491	P	52.3	Low	38.5	Very low	116 Å²	116	131.2 Å²	131.2	75%	0.753	81%	0.811	S	S	*	*			cis	-125.9	-146.5	5.5	42.4	-21.4	0	0	0	110.3
492	P	49.9	Very low	38.4	Very low	118 Å²	118	127.7 Å²	127.7	77%	0.766	81%	0.807	S	S	*	*			cis	-134.5	179.3	-9	40.5	-21.5	0	0	0	117
493	Q	41	Very low	38.4	Very low	176 Å²	176	131.7 Å²	131.7	82%	0.822	80%	0.801	S	S	*	*			trans	-96.2	173.2	165.4	-68.9	-167.8	-2.7	0	0	112.6
494	P	47.7	Very low	38.7	Very low	111 Å²	111	134.3 Å²	134.3	72%	0.721	80%	0.797	S	S	*	*				-148.7	137.4	115.1	32.5	-14	0	0	0	119.2
495	K	30.1	Very low	37.6	Very low	188 Å²	188	131.4 Å²	131.4	82%	0.817	79%	0.791	S	S	*	*			trans	70.2	113.5	134	-61.1	169.8	-174.2	174.2	0	122.9
496	R	31.2	Very low	36.7	Very low	245 Å²	245	133.6 Å²	133.6	93%	0.925	80%	0.795	S	S	*	*				43.2	159.6	118.9	-91.7	-165.2	174	-157.9	0.4	122.1
497	P	35.9	Very low	36.4	Very low	114 Å²	114	136.2 Å²	136.2	74%	0.74	80%	0.799	S	S	*	*			cis	-139	-171.9	18.9	41.2	-20.9	0	0	0	118.2
498	R	35.8	Very low	35.3	Very low	238 Å²	238	135.6 Å²	135.6	90%	0.898	80%	0.798	S	S	*	*			trans	-119.9	155.6	157.6	-52.1	-179.8	-174.8	174.6	0.8	107.4
499	P	42.9	Very low	36.1	Very low	132 Å²	132	136.5 Å²	136.5	86%	0.857	80%	0.795	S	S	*	*				-145	-161.5	58.8	41.4	-20.6	0	0	0	113.4
500	G	28.5	Very low	36	Very low	72 Å²	72	136.6 Å²	136.6	74%	0.742	80%	0.797	S	S	*	*			cis	138.7	129.1	-20.7	0	0	0	0	0	117.9
501	A	31.9	Very low	35.7	Very low	97 Å²	97	134.4 Å²	134.4	80%	0.802	79%	0.793	S	S	*	*			trans	83.6	142.2	158.7	0	0	0	0	0	123.5
502	S	31.3	Very low	34.6	Very low	116 Å²	116	139.7 Å²	139.7	81%	0.811	80%	0.798	S	S	*	*			trans	68.6	158.1	163.2	77.1	0	0	0	0	117.7
503	K	33.1	Very low	33.7	Very low	169 Å²	169	140.7 Å²	140.7	74%	0.735	80%	0.796	S	S	*	*			cis	-168.5	177.1	-9.4	-117.4	179.2	168.8	-74.6	0	107.5
504	D	32.5	Very low	33.1	Very low	126 Å²	126	136.2 Å²	136.2	67%	0.674	80%	0.798	S	S	*	*			cis	-162.3	159.7	-0.9	-132.4	-7.1	0	0	0	112
505	G	29.4	Very low	32.3	Very low	65 Å²	65	139.9 Å²	139.9	67%	0.67	81%	0.805	S	S	*	*			trans	67.7	175.6	160.4	0	0	0	0	0	119.7
506	L	30.7	Very low	32.9	Very low	165 Å²	165	135.9 Å²	135.9	86%	0.864	80%	0.799	S	S	*	*			cis	-173.1	166.2	-23	-116.7	172.7	0	0	0	110.4
507	L	31.2	Very low	32.8	Very low	165 Å²	165	129.6 Å²	129.6	86%	0.864	79%	0.793	S	S	*	*			trans	90.2	165.5	166.5	-52.8	-175.5	0	0	0	121.8
508	S	26.4	Very low	32.5	Very low	114 Å²	114	129.7 Å²	129.7	80%	0.797	80%	0.796	S	S	*	*			trans	-165.1	-162.9	-166.4	-143	0	0	0	0	108.1
509	P	50.5	Low	32.2	Very low	121 Å²	121	127.7 Å²	127.7	79%	0.786	80%	0.796	S	S	*	*			cis	-134.1	-176.6	-29.4	40.4	-23.3	0	0	0	114.7
510	G	28.3	Very low	31.5	Very low	79 Å²	79	124.9 Å²	124.9	81%	0.814	79%	0.791	S	S	*	*			trans	99.3	163.6	159	0	0	0	0	0	117.9
511	A	29.3	Very low	31.6	Very low	95 Å²	95	127.5 Å²	127.5	79%	0.785	80%	0.798	S	S	*	*			cis	-160.8	143.5	-8.9	0	0	0	0	0	114.3
512	W	29	Very low	31.5	Very low	228 Å²	228	134.2 Å²	134.2	86%	0.864	80%	0.803	S	S	*	*			trans	56.6	126.8	131.3	-80.2	35.1	0	0	0	126.6
513	N	32	Very low	32.3	Very low	138 Å²	138	134.2 Å²	134.2	74%	0.738	80%	0.8	S	S	*	*			trans	67.8	139	137	-60.3	2	0	0	0	123.1
514	G	27	Very low	32.2	Very low	83 Å²	83	132.5 Å²	132.5	86%	0.856	80%	0.804	S	S	*	*			trans	168.4	71.4	167.4	0	0	0	0	0	117.5
515	E	31	Very low	32.1	Very low	187 Å²	187	132.4 Å²	132.4	87%	0.874	81%	0.808	S	S	*	*			trans	-112.3	153.5	157.9	-109.2	-161.8	163.4	0	0	107.9
516	P	43.5	Very low	32.9	Very low	105 Å²	105	135 Å²	135	68%	0.682	81%	0.812	S	S	*	*				-158.8	171.9	63.8	42.3	-21.8	0	0	0	119.3
517	S	28.3	Very low	33	Very low	113 Å²	113	131.9 Å²	131.9	79%	0.79	81%	0.805	S	S	*	*			trans	61.6	157.2	147.2	69.7	0	0	0	0	119.6
518	S	29.3	Very low	32.9	Very low	115 Å²	115	133.5 Å²	133.5	80%	0.804	81%	0.808	S	S	*	*			cis	-152.9	-171.5	20.6	63.9	0	0	0	0	113.5
519	E	29.3	Very low	33.2	Very low	196 Å²	196	134 Å²	134	92%	0.916	81%	0.806	S	S	*	*			trans	-74	162.8	-177.9	-54.5	168.1	103.7	0	0	115
520	G	28.3	Very low	32.3	Very low	73 Å²	73	133.4 Å²	133.4	75%	0.753	81%	0.811	S	S	*	*			trans	168.7	87.1	166	0	0	0	0	0	119.6
521	S	31.6	Very low	32.4	Very low	127 Å²	127	133.4 Å²	133.4	89%	0.888	81%	0.811	S	S	*	*			trans	39.5	143.9	143.1	-59.9	0	0	0	0	125.4
522	R	28.7	Very low	32.5	Very low	239 Å²	239	139.2 Å²	139.2	90%	0.902	81%	0.813	S	S	*	*			trans	-79	-173.8	158.3	-56.3	171.6	162.1	178.4	-6.4	111.1
523	P	49.3	Very low	32.6	Very low	115 Å²	115	137.8 Å²	137.8	75%	0.747	81%	0.808	S	S	*	*			cis	-132.3	-161.9	-20.2	20.8	5.8	0	0	0	113.4
524	V	29.7	Very low	32.4	Very low	134 Å²	134	136.5 Å²	136.5	81%	0.812	81%	0.809	S	S	*	*			trans	109.1	133.9	148	-175.5	0	0	0	0	118.2
525	T	30.4	Very low	33.5	Very low	123 Å²	123	138.3 Å²	138.3	76%	0.755	81%	0.806	S	S	*	*			trans	-108.8	155.2	174.4	57	0	0	0	0	109.9
526	P	47.7	Very low	33.5	Very low	119 Å²	119	133.8 Å²	133.8	77%	0.773	80%	0.8	S	S	*	*				-158.6	145.5	83.9	39.6	-18.7	0	0	0	119.6
527	S	32.9	Very low	32.8	Very low	100 Å²	100	140.3 Å²	140.3	70%	0.699	81%	0.811	S	S	*	*				40.8	126.9	126.3	-168.2	0	0	0	0	122.4
528	E	28.7	Very low	33.4	Very low	199 Å²	199	141.1 Å²	141.1	93%	0.93	81%	0.814	S	S	*	*			trans	-130.5	163.4	142.3	-163.3	154.3	-115.5	0	0	111.3
529	V	32.7	Very low	33.4	Very low	125 Å²	125	140.2 Å²	140.2	76%	0.758	81%	0.813	S	S	*	*			trans	-144.6	119.9	-148.4	156.7	0	0	0	0	114.7
530	A	30.8	Very low	33.4	Very low	108 Å²	108	137.3 Å²	137.3	89%	0.893	81%	0.809	S	S	*	*			trans	-159.6	145.5	160.7	0	0	0	0	0	111.3
531	G	30.2	Very low	33.5	Very low	80 Å²	80	142.8 Å²	142.8	83%	0.825	82%	0.815	S	S	*	*			cis	-146.9	-166.3	-4.3	0	0	0	0	0	111.8
532	R	31.9	Very low	33.5	Very low	216 Å²	216	148 Å²	148	82%	0.815	82%	0.815	S	S	*	*			trans	-129.8	141.9	-167.3	-92.7	-174.3	167.4	-158.6	0.5	116
533	R	30.4	Very low	33.5	Very low	199 Å²	199	145.2 Å²	145.2	75%	0.751	82%	0.815	S	S	*	*			trans	58.7	122.9	145.2	-66.7	-179.8	170.5	-163.7	-5.6	118.9
534	S	29.6	Very low	32.5	Very low	110 Å²	110	144 Å²	144	77%	0.769	82%	0.815	S	S	*	*				64	148.5	74.8	-47.1	0	0	0	0	114.7
535	P	50	Low	32.6	Very low	122 Å²	122	146 Å²	146	79%	0.792	82%	0.819	S	S	*	*			cis	-148.8	154.3	24.3	42	-21	0	0	0	121.3
536	A	30.8	Very low	32.6	Very low	91 Å²	91	149.4 Å²	149.4	75%	0.752	83%	0.826	S	S	*	*			trans	53.4	126.2	131.2	0	0	0	0	0	127.3
537	R	29.2	Very low	32	Very low	243 Å²	243	148.1 Å²	148.1	92%	0.917	83%	0.825	S	S	*	*			trans	71.5	163.5	136.7	-83.2	-170.1	171.5	-163.4	-2.3	120.6
538	P	39.3	Very low	32	Very low	130 Å²	130	151.9 Å²	151.9	84%	0.844	84%	0.837	S	S	*	*			cis	-113.6	-155.2	-2.9	40.5	-26.6	0	0	0	113.6
539	A	30.2	Very low	32.1	Very low	95 Å²	95	152 Å²	152	79%	0.785	84%	0.837	S	S	*	*			trans	-145.6	158.2	-170.9	0	0	0	0	0	113.9
540	T	29.7	Very low	32.2	Very low	136 Å²	136	150.5 Å²	150.5	83%	0.834	84%	0.838	S	S	*	*			trans	-156.7	160.3	168.5	9.3	0	0	0	0	113.5
541	E	30.7	Very low	32.4	Very low	188 Å²	188	151.1 Å²	151.1	88%	0.879	83%	0.833	S	S	*	*			trans	76.9	162.4	156.8	-74.3	177.4	148.1	0	0	121.8
542	R	31.4	Very low	32.6	Very low	237 Å²	237	153.6 Å²	153.6	89%	0.894	83%	0.834	S	S	*	*			trans	-133.2	155.7	-165.9	-59.7	167.9	167.6	175.9	-6.4	108.6
543	M	28.3	Very low	32.6	Very low	179 Å²	179	148.2 Å²	148.2	88%	0.882	84%	0.836	S	S	*	*				171.8	155.6	118.2	-96	-176.7	73.8	0	0	113.4
544	A	29.1	Very low	32.7	Very low	91 Å²	91	147.9 Å²	147.9	75%	0.752	84%	0.843	S	S	*	*			trans	57.2	130.9	155.2	0	0	0	0	0	120.6
545	I	31.5	Very low	32.8	Very low	175 Å²	175	148.6 Å²	148.6	90%	0.897	85%	0.848	S	S	*	*			trans	-128.9	136.1	160.6	-63.1	174.1	0	0	0	106
546	E	30	Very low	32	Very low	195 Å²	195	154.4 Å²	154.4	91%	0.911	85%	0.854	S	S	*	*			trans	-116.3	151.9	171.4	-167.7	167.4	-169	0	0	109.6
547	A	34.1	Very low	32.2	Very low	91 Å²	91	159.1 Å²	159.1	75%	0.752	86%	0.861	S	S	*	*			trans	-105.1	151.9	-157.5	0	0	0	0	0	114.9
548	L	33.4	Very low	32.6	Very low	180 Å²	180	152.5 Å²	152.5	94%	0.942	85%	0.85	S	S	*	*			trans	-133.6	142.8	164.5	-79.4	170.7	0	0	0	109.9
549	Q	32.1	Very low	32.4	Very low	201 Å²	201	154.7 Å²	154.7	94%	0.939	85%	0.848	S	S	*	*			trans	-87	161	-171.7	-68.2	175.3	-49.3	0	0	113.6
550	A	34.1	Very low	32.6	Very low	93 Å²	93	154.4 Å²	154.4	77%	0.769	84%	0.837	S	S	*	*			trans	-106.9	153.2	175.4	0	0	0	0	0	112.2
551	P	35	Very low	32.9	Very low	121 Å²	121	150.4 Å²	150.4	79%	0.786	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-76.6	163.1	-178	31.5	-36.2	0	0	0	114
552	P	34.4	Very low	33	Very low	132 Å²	132	147.9 Å²	147.9	86%	0.857	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-76	157.7	-170.3	30.8	-37	0	0	0	115.2
553	A	31.9	Very low	33.1	Very low	103 Å²	103	143 Å²	143	85%	0.851	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-84.2	157.1	-174.7	0	0	0	0	0	114.7
554	Q	31.4	Very low	33.5	Very low	192 Å²	192	143.6 Å²	143.6	90%	0.897	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-94.4	146	169.1	-66.6	178.7	-9.7	0	0	110.8
555	S	31.8	Very low	34	Very low	126 Å²	126	141 Å²	141	88%	0.881	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-72.7	133.8	176.9	43.4	0	0	0	0	112.4
556	R	34.6	Very low	34.4	Very low	243 Å²	243	138.9 Å²	138.9	92%	0.917	76%	0.756	S	S	*	*			trans	-118.8	136.5	164.7	-84.5	-178.2	164.1	-178.8	-6.2	109.2
557	E	35	Very low	34.9	Very low	190 Å²	190	131.1 Å²	131.1	89%	0.888	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-73.2	148.1	168.9	-64	-168.7	141	0	0	110.6
558	P	37.6	Very low	34.8	Very low	105 Å²	105	130.2 Å²	130.2	68%	0.682	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-79.7	121.7	-176.7	30.7	-33.9	0	0	0	112.4
559	E	34.8	Very low	35.2	Very low	175 Å²	175	125.9 Å²	125.9	82%	0.818	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-68.1	136.7	173.4	-169.2	176.9	167.5	0	0	111.5
560	V	34.7	Very low	35.1	Very low	90 Å²	90	119.7 Å²	119.7	55%	0.545	66%	0.663	S	S	.	*			trans	-117.1	121.6	-178.3	179.7	0	0	0	0	110	A570	V560-A570 HydrophobicContact CG1-CB 4.19Å
561	A	35.8	Very low	35.2	Very low	52 Å²	52	118.1 Å²	118.1	43%	0.43	64%	0.644	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.2	140.3	177.5	0	0	0	0	0	111.8	T573	A561-T573 HydrophobicContact CB-CG2 4.36Å
562	L	31.7	Very low	35.2	Very low	135 Å²	135	122.6 Å²	122.6	71%	0.707	65%	0.645	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89.2	124.9	175.4	-77	165.1	0	0	0	110.8
563	Y	34.4	Very low	35.3	Very low	133 Å²	133	120.9 Å²	120.9	52%	0.522	63%	0.632	S	S	.	*	P	Polyproline II helix	trans	-84.6	118.2	175.8	-170.5	-100.7	0	0	0	111.3	G565	Y563-G565 VanDerWaalsContact C-N 3.3Å; Y563-G565 PolarHBondContact O-N 3.19Å
564	Q	35.7	Very low	35.7	Very low	192 Å²	192	123.5 Å²	123.5	90%	0.897	63%	0.629	S	S	*	*			trans	-84.6	72.1	175.9	-66	-173.9	-1.7	0	0	110.9
565	G	40.9	Very low	36.2	Very low	36 Å²	36	119.7 Å²	119.7	37%	0.371	62%	0.621	S	S	.	*	S	Bend	trans	-100.3	-171.9	170.9	0	0	0	0	0	112.8	Y563 H567	Y563-G565 VanDerWaalsContact C-N 3.3Å; Y563-G565 PolarHBondContact O-N 3.19Å; G565-H567 PolarHBondContact O-N 2.97Å
566	Y	38.1	Very low	36.9	Very low	132 Å²	132	119.5 Å²	119.5	52%	0.518	62%	0.616	S	S	.	*	S	Bend	trans	-69	-18.2	174.9	-155.3	-96.7	0	0	0	113	Y52	Y52-Y566 HydrophobicContact CE2-CE1 4.27Å; Y52-Y566 WeakPolarHBondContact OH-CE1 3.28Å; Y52-Y566 PolarHBondContact OH-OH 3.03Å
567	H	41	Very low	37.3	Very low	32 Å²	32	116.8 Å²	116.8	15%	0.148	61%	0.614	C	S	.	*	S	Bend	trans	-129.3	130.1	161.8	-62.6	-68.3	0	0	0	107.6	C29 G565	C29-H567 PolarHBondContact SG-CE1 2.74Å; G565-H567 PolarHBondContact O-N 2.97Å
568	S	31.8	Very low	37.9	Very low	72 Å²	72	113 Å²	113	50%	0.503	61%	0.606	S	S	.	*			trans	-96.3	120.5	178.9	55.2	0	0	0	0	111
569	Y	41.4	Very low	38.6	Very low	88 Å²	88	113.4 Å²	113.4	35%	0.345	61%	0.609	S	S	.	*			trans	-138.2	155.3	172.9	57.3	-87.6	0	0	0	111	F46 V571	F46-Y569 WeakPolarHBondContact CE1-OH 3.27Å; F46-Y569 VanDerWaalsContact CZ-OH 3.29Å; F46-Y569 WeakPolarHBondContact CZ-OH 3.08Å; Y569-V571 HydrophobicContact CD2-CG2 3.7Å; Y569-V571 HydrophobicContact CE2-CG2 3.51Å
570	A	31.7	Very low	39	Very low	71 Å²	71	111 Å²	111	59%	0.587	61%	0.609	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-74.4	129.1	178.8	0	0	0	0	0	110.7	V560	V560-A570 HydrophobicContact CG1-CB 4.19Å
571	V	35.5	Very low	39.2	Very low	61 Å²	61	115.4 Å²	115.4	37%	0.37	62%	0.62	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.9	125.1	178.8	179.2	0	0	0	0	109.1	Y569 T573	Y569-V571 HydrophobicContact CD2-CG2 3.7Å; Y569-V571 HydrophobicContact CE2-CG2 3.51Å; V571-T573 PolarHBondContact O-N 2.56Å
572	R	34.3	Very low	39.7	Very low	214 Å²	214	121.7 Å²	121.7	81%	0.808	64%	0.641	S	S	*	*			trans	-72.5	124.6	166.4	-69	-172.9	176.4	-154.7	-1.9	108.3
573	T	37.9	Very low	39.9	Very low	97 Å²	97	122 Å²	122	60%	0.595	64%	0.643	S	S	*	*			trans	-85.4	-6.3	-165.7	47	0	0	0	0	114.9	A561 V571	A561-T573 HydrophobicContact CB-CG2 4.36Å; V571-T573 PolarHBondContact O-N 2.56Å
574	M	39.3	Very low	39.9	Very low	157 Å²	157	124.4 Å²	124.4	77%	0.773	66%	0.659	S	S	*	*	S	Bend	trans	-118.9	139.3	178.2	-61	-156.3	-67.2	0	0	111.6
575	P	41.9	Very low	39.9	Very low	113 Å²	113	121 Å²	121	73%	0.734	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-69.5	153.9	171.9	31.6	-35	0	0	0	110.7
576	P	47.6	Very low	39.5	Very low	121 Å²	121	128.2 Å²	128.2	79%	0.786	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-66.7	146.8	167.9	30.5	-34.3	0	0	0	110.4
577	E	42.2	Very low	39.5	Very low	186 Å²	186	127.6 Å²	127.6	87%	0.869	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-64.9	142.3	171	-72.1	-176.7	122	0	0	110.8
578	P	47.5	Very low	39.1	Very low	112 Å²	112	135.1 Å²	135.1	73%	0.727	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-68.6	148.6	171.1	30.9	-34.4	0	0	0	110.5
579	P	52	Low	39	Very low	113 Å²	113	138.8 Å²	138.8	73%	0.734	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-63.9	150.6	173.2	28.8	-34.8	0	0	0	111
580	P	44.2	Very low	38.6	Very low	125 Å²	125	140 Å²	140	81%	0.812	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-62.9	145.7	174.6	27.9	-34.7	0	0	0	111
581	F	37.7	Very low	38.5	Very low	181 Å²	181	140.3 Å²	140.3	79%	0.794	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-90.4	125.9	-177.7	-161.4	-93.8	0	0	0	109.9
582	E	46	Very low	38.2	Very low	184 Å²	184	143.3 Å²	143.3	86%	0.86	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-97.9	118.5	171.6	-68.3	-171	141.4	0	0	109.7
583	D	37	Very low	38	Very low	142 Å²	142	141.9 Å²	141.9	76%	0.759	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-76.5	129.2	173.8	-76.3	-42.1	0	0	0	111.3
584	Q	33.3	Very low	37.8	Very low	184 Å²	184	143.2 Å²	143.2	86%	0.86	82%	0.815	S	S	*	*			trans	-134.8	147.6	156.7	-75.4	-156.7	15.4	0	0	110.9
585	P	35.9	Very low	37.5	Very low	120 Å²	120	140.4 Å²	140.4	78%	0.779	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-84.4	158.5	-161.4	33.4	-37.5	0	0	0	114.7
586	E	33.8	Very low	37.4	Very low	187 Å²	187	140.6 Å²	140.6	87%	0.874	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-70.5	145.4	171.9	-61.8	-165.8	153.4	0	0	112.6
587	P	38.4	Very low	36.6	Very low	120 Å²	120	140.3 Å²	140.3	78%	0.779	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-84.9	142.4	170.1	33.9	-33.1	0	0	0	112.4
588	E	31.2	Very low	36.1	Very low	189 Å²	189	137 Å²	137	88%	0.883	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-68.8	140.7	-178.6	-57.4	-177.7	139.6	0	0	113.4	S590	E588-S590 PolarHBondContact O-N 3.47Å
589	V	30.4	Very low	36	Very low	149 Å²	149	138 Å²	138	90%	0.903	82%	0.823	S	S	*	*			trans	-90.2	99	170.1	-177.9	0	0	0	0	110
590	S	32.3	Very low	35	Very low	114 Å²	114	137.3 Å²	137.3	80%	0.797	83%	0.827	S	S	*	*			trans	-103.5	150.9	157.4	62.2	0	0	0	0	109.2	E588	E588-S590 PolarHBondContact O-N 3.47Å
591	G	29.6	Very low	34.3	Very low	77 Å²	77	138.5 Å²	138.5	79%	0.794	83%	0.832	S	S	*	*			trans	-144.1	156.5	-171.6	0	0	0	0	0	114.4
592	S	29.6	Very low	34.2	Very low	124 Å²	124	134 Å²	134	87%	0.867	83%	0.828	S	S	*	*			trans	-160.7	173.3	160.3	56.8	0	0	0	0	110.4
593	E	30.7	Very low	33.7	Very low	185 Å²	185	131.2 Å²	131.2	86%	0.864	83%	0.826	S	S	*	*			trans	-74.3	148.7	-163.9	-57.2	153.3	104.7	0	0	114.5
594	S	32.5	Very low	33.4	Very low	124 Å²	124	133 Å²	133	87%	0.867	83%	0.834	S	S	*	*				-178.4	150.3	120.5	40.3	0	0	0	0	112.1
595	A	34.8	Very low	33.4	Very low	99 Å²	99	133.5 Å²	133.5	82%	0.818	84%	0.837	S	S	*	*			trans	-130.6	144.4	174.7	0	0	0	0	0	110.3
596	P	38.7	Very low	33.1	Very low	117 Å²	117	132.1 Å²	132.1	76%	0.76	84%	0.836	S	S	*	*			trans	-128.7	127.3	159.4	32.8	-18.3	0	0	0	114.2
597	S	31.1	Very low	33.6	Very low	114 Å²	114	129.5 Å²	129.5	80%	0.797	84%	0.835	S	S	*	*			trans	24.4	130	145.9	60.2	0	0	0	0	121.8
598	S	31.8	Very low	33.2	Very low	118 Å²	118	130.1 Å²	130.1	83%	0.825	84%	0.837	S	S	*	*			trans	-110.4	148.4	143.4	-71	0	0	0	0	109.9
599	P	45.2	Very low	33.3	Very low	132 Å²	132	129.8 Å²	129.8	86%	0.857	84%	0.84	S	S	*	*			trans	-84.2	159.3	-169.7	33.7	-36.6	0	0	0	114
600	A	30.1	Very low	33.2	Very low	98 Å²	98	134.3 Å²	134.3	81%	0.81	84%	0.841	S	S	*	*			trans	-115.1	155.1	173.6	0	0	0	0	0	111.7
601	T	30.1	Very low	32.9	Very low	151 Å²	151	132.4 Å²	132.4	93%	0.926	84%	0.839	S	S	*	*			trans	-141.5	139	167.1	-61.1	0	0	0	0	108.3
602	A	36	Very low	33.7	Very low	86 Å²	86	135 Å²	135	71%	0.711	84%	0.842	S	S	*	*			trans	-108.5	158.5	-161.5	0	0	0	0	0	114.2
603	P	36.1	Very low	33.7	Very low	125 Å²	125	136.4 Å²	136.4	81%	0.812	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-82	149.3	157.7	34.5	-32	0	0	0	111.3
604	L	31.1	Very low	34.6	Very low	179 Å²	179	133.1 Å²	133.1	94%	0.937	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-90.3	154.3	-179.5	-74.2	164	0	0	0	112.9
605	Q	32	Very low	34.5	Very low	196 Å²	196	131.6 Å²	131.6	92%	0.916	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-85.8	159	173.7	-68.5	179.9	-18.7	0	0	112.4
606	A	29.6	Very low	34.3	Very low	91 Å²	91	137 Å²	137	75%	0.752	83%	0.828	S	S	*	*			trans	-112.5	145.6	171.2	0	0	0	0	0	111.5
607	P	44	Very low	34	Very low	131 Å²	131	138.8 Å²	138.8	85%	0.851	83%	0.827	S	S	*	*			trans	-91.1	165.9	179	36.7	-35.7	0	0	0	113.5
608	T	30.6	Very low	33.7	Very low	134 Å²	134	139.8 Å²	139.8	82%	0.822	83%	0.828	S	S	*	*			trans	-125	140.6	-179.3	52.7	0	0	0	0	113.1
609	L	33.1	Very low	34.2	Very low	181 Å²	181	139.5 Å²	139.5	95%	0.948	82%	0.824	S	S	*	*			trans	-140.1	172.3	169.4	-79.1	179.3	0	0	0	112.5
610	R	27.5	Very low	33.4	Very low	245 Å²	245	137.8 Å²	137.8	93%	0.925	82%	0.82	S	S	*	*			trans	-88.2	133.9	-154	-62.5	170.1	168.8	170.8	-5.8	117.4
611	G	26.8	Very low	33.4	Very low	74 Å²	74	142 Å²	142	76%	0.763	82%	0.821	S	S	*	*			trans	59.3	172.4	130.5	0	0	0	0	0	121.8
612	P	47.4	Very low	33.4	Very low	132 Å²	132	141 Å²	141	86%	0.857	81%	0.809	S	S	*	*			cis	-123.7	-174.1	3.4	42.7	-28.4	0	0	0	116.1
613	D	29.4	Very low	33.2	Very low	152 Å²	152	145.2 Å²	145.2	81%	0.813	81%	0.814	S	S	*	*			trans	-57.3	175.9	177.3	-83.1	-71.4	0	0	0	118.2
614	P	49.3	Very low	33.2	Very low	117 Å²	117	145.5 Å²	145.5	76%	0.76	82%	0.816	S	S	*	*			cis	-134.9	163.1	10.6	40.4	-24.2	0	0	0	118
615	A	30	Very low	33.2	Very low	91 Å²	91	146.1 Å²	146.1	75%	0.752	81%	0.811	S	S	*	*				171.3	112	115.6	0	0	0	0	0	116.1
616	R	31.3	Very low	33.4	Very low	212 Å²	212	143.1 Å²	143.1	80%	0.8	81%	0.808	S	S	*	*			trans	69.3	102.9	135.4	-160.8	170.3	-169.2	163.4	12.6	122.5
617	E	30.8	Very low	33.5	Very low	155 Å²	155	146.6 Å²	146.6	72%	0.724	81%	0.812	S	S	*	*			trans	62.9	134.6	136.7	-59.4	175.3	140	0	0	121.9
618	T	26.4	Very low	33	Very low	135 Å²	135	147.6 Å²	147.6	83%	0.828	81%	0.81	S	S	*	*			trans	-108.6	-174	175.4	58.2	0	0	0	0	109.2
619	P	40.8	Very low	33.5	Very low	113 Å²	113	146.5 Å²	146.5	73%	0.734	81%	0.806	S	S	*	*			cis	-142	159.5	5.5	42.6	-23.3	0	0	0	119.3
620	A	29.8	Very low	33.3	Very low	95 Å²	95	147.9 Å²	147.9	79%	0.785	80%	0.804	S	S	*	*			trans	51.5	136.6	134.7	0	0	0	0	0	125.5
621	K	28.8	Very low	33.4	Very low	188 Å²	188	141.3 Å²	141.3	82%	0.817	80%	0.802	S	S	*	*			trans	90.1	115	138.6	-91.7	-168.5	164.1	-172.5	0	123
622	L	30.9	Very low	33.7	Very low	130 Å²	130	145.1 Å²	145.1	68%	0.681	80%	0.8	S	S	*	*			trans	73.6	116.4	134.5	-70.1	168	0	0	0	122.4
623	E	32.7	Very low	33.3	Very low	174 Å²	174	144.5 Å²	144.5	81%	0.813	80%	0.796	S	S	*	*			trans	28.4	121.9	137.9	-60.2	-172.7	166	0	0	121.6
624	P	35	Very low	33.2	Very low	131 Å²	131	148 Å²	148	85%	0.851	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-90.5	140.7	172.2	35.2	-32.6	0	0	0	114.1
625	K	31.1	Very low	32.3	Very low	191 Å²	191	147.1 Å²	147.1	83%	0.83	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-97.7	154.1	157.9	-79.4	-179.1	177.2	176.4	0	110.3
626	P	35.4	Very low	32.2	Very low	133 Å²	133	153 Å²	153	86%	0.864	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-70.1	157	-176.2	28.2	-35.4	0	0	0	114
627	I	31.7	Very low	32.2	Very low	164 Å²	164	147.8 Å²	147.8	84%	0.841	81%	0.812	S	S	*	*			trans	-108.3	152.4	-168.8	-66.8	170.2	0	0	0	111.6
628	N	34.1	Very low	32	Very low	152 Å²	152	152.2 Å²	152.2	81%	0.813	82%	0.822	S	S	*	*			trans	-140.6	129.2	172.8	179.6	23.4	0	0	0	111.3
629	P	40.8	Very low	32.1	Very low	111 Å²	111	153.3 Å²	153.3	72%	0.721	82%	0.815	S	S	*	*			trans	-112.4	156	171.9	35.2	-23.9	0	0	0	115
630	K	29.7	Very low	31.6	Very low	210 Å²	210	154 Å²	154	91%	0.913	82%	0.817	S	S	*	*			trans	-92.5	157	-176.5	-56.4	169.2	177.4	173.4	0	113.3
631	A	30	Very low	31.6	Very low	107 Å²	107	156.1 Å²	156.1	88%	0.884	81%	0.811	S	S	*	*				178.8	160	118.7	0	0	0	0	0	113.4
632	E	32.1	Very low	31.8	Very low	154 Å²	154	150.9 Å²	150.9	72%	0.72	80%	0.802	S	S	*	*			trans	-111.9	163.3	174.3	-150.2	-156.8	-107.5	0	0	109.6	R634	E632-R634 PolarHBondContact OE2-N 3Å
633	P	39.6	Very low	31.7	Very low	120 Å²	120	156.9 Å²	156.9	78%	0.779	82%	0.816	S	S	*	*				-151.9	145.4	91.3	37.5	-18.6	0	0	0	118.4
634	R	27	Very low	31.5	Very low	226 Å²	226	151.7 Å²	151.7	85%	0.853	81%	0.81	S	S	*	*			trans	7.1	135.2	150.4	-66.9	178.5	162.1	-162.5	-4.9	122.1	E632	E632-R634 PolarHBondContact OE2-N 3Å
635	A	29.8	Very low	31.3	Very low	97 Å²	97	153.8 Å²	153.8	80%	0.802	81%	0.813	S	S	*	*			trans	-150.5	100.9	143	0	0	0	0	0	115.5
636	K	28.7	Very low	31.4	Very low	214 Å²	214	150.6 Å²	150.6	93%	0.93	81%	0.809	S	S	*	*			trans	46.8	146.6	149.8	-62.6	178.4	-178.4	174.6	0	121.9
637	A	30.4	Very low	31.2	Very low	104 Å²	104	153.9 Å²	153.9	86%	0.86	81%	0.81	S	S	*	*			trans	-126.1	172.8	-178.9	0	0	0	0	0	112.8
638	R	27.5	Very low	31.1	Very low	248 Å²	248	151 Å²	151	94%	0.936	81%	0.811	S	S	*	*			trans	-141.3	147.3	157.3	-157.2	170.7	-175.1	178.4	0.9	111.2
639	K	28.6	Very low	30.9	Very low	158 Å²	158	147.7 Å²	147.7	69%	0.687	81%	0.812	S	S	*	*			trans	-139.4	138.7	-168.7	-178.1	-149.1	-172.7	-161.4	0	110.5	E641	K639-E641 WeakPolarHBondContact CE-OE1 3.39Å; K639-E641 IonicContact NZ-OE1 2.61Å; K639-E641 PolarHBondContact NZ-OE1 3.45Å
640	T	30.2	Very low	30.5	Very low	127 Å²	127	146.9 Å²	146.9	78%	0.779	82%	0.815	S	S	*	*			trans	-172.1	121.4	159.1	11.9	0	0	0	0	105.1
641	E	30.2	Very low	30.4	Very low	139 Å²	139	146.3 Å²	146.3	65%	0.65	81%	0.812	S	S	*	*				70.5	136.7	51.6	-64.5	-172.5	-153.1	0	0	114.3	K639	K639-E641 WeakPolarHBondContact CE-OE1 3.39Å; K639-E641 IonicContact NZ-OE1 2.61Å; K639-E641 PolarHBondContact NZ-OE1 3.45Å
642	A	31.6	Very low	30.4	Very low	78 Å²	78	151 Å²	151	65%	0.645	81%	0.813	S	S	*	*			cis	-170.7	173.4	-14.7	0	0	0	0	0	111.3
643	R	29.3	Very low	30.4	Very low	256 Å²	256	153.8 Å²	153.8	97%	0.966	82%	0.823	S	S	*	*			trans	76.3	143	168.1	-55.4	173.9	168.5	178	-4.9	117.4
644	G	28.4	Very low	30.1	Very low	66 Å²	66	153 Å²	153	68%	0.68	83%	0.827	S	S	*	*			cis	158.2	149.4	-16.6	0	0	0	0	0	116.4
645	L	30.9	Very low	30.5	Very low	174 Å²	174	154.1 Å²	154.1	91%	0.911	83%	0.831	S	S	*	*			trans	64.2	151.3	163.6	-97.3	61.1	0	0	0	117.6
646	T	32.5	Very low	30.7	Very low	125 Å²	125	159.5 Å²	159.5	77%	0.767	84%	0.836	S	S	*	*			cis	-137.1	152	21.6	46.1	0	0	0	0	116.7
647	K	32.6	Very low	31	Very low	202 Å²	202	158.9 Å²	158.9	88%	0.878	84%	0.836	S	S	*	*			trans	15	129.9	150.1	-88.5	-178.3	174.8	177.8	0	124.1
648	A	28.4	Very low	31.1	Very low	103 Å²	103	158.9 Å²	158.9	85%	0.851	84%	0.836	S	S	*	*				89	112.4	119.2	0	0	0	0	0	122.1
649	G	30.5	Very low	31.4	Very low	82 Å²	82	151.6 Å²	151.6	85%	0.845	83%	0.829	S	S	*	*			trans	-179	129.1	161.3	0	0	0	0	0	108.1
650	A	31.6	Very low	31.5	Very low	94 Å²	94	152.3 Å²	152.3	78%	0.777	84%	0.839	S	S	*	*			trans	-129.2	141.8	-156.3	0	0	0	0	0	116.7
651	K	27.8	Very low	32.1	Very low	198 Å²	198	151.4 Å²	151.4	86%	0.861	85%	0.845	S	S	*	*			trans	53.9	111.9	151.4	-65.1	174.2	177.6	176.3	0	118.7
652	K	29.8	Very low	32.3	Very low	207 Å²	207	148.6 Å²	148.6	90%	0.9	85%	0.846	S	S	*	*				-173.3	166.8	100.1	-101.7	168.6	-179.3	177.8	0	112.7
653	K	32.3	Very low	32.6	Very low	212 Å²	212	154.1 Å²	154.1	92%	0.922	86%	0.858	S	S	*	*	S	Bend	trans	68.1	54.8	163.7	-150.4	-176.2	-177.9	-173.8	0	118.7
654	A	34.7	Very low	32.9	Very low	104 Å²	104	146.3 Å²	146.3	86%	0.86	85%	0.848	S	S	*	*			trans	-152.2	44.9	164.4	0	0	0	0	0	113.8
655	R	34.6	Very low	33.7	Very low	249 Å²	249	153 Å²	153	94%	0.94	86%	0.862	S	S	*	*	S	Bend	trans	-159.2	63.4	176.4	-158.8	179.1	-176.2	-176.6	1.1	114.6
656	K	34	Very low	33.9	Very low	210 Å²	210	150.2 Å²	150.2	91%	0.913	85%	0.852	S	S	*	*	S	Bend	trans	-157.7	40	165.6	-152.5	-155.5	173.5	-171.1	0	114.7
657	E	34.1	Very low	34.3	Very low	201 Å²	201	153.5 Å²	153.5	94%	0.939	86%	0.859	S	S	*	*	S	Bend	trans	-150.5	22.3	-171.8	-131.3	150.7	-124.4	0	0	114.4
658	A	33.9	Very low	34.6	Very low	104 Å²	104	150 Å²	150	86%	0.86	85%	0.853	S	S	*	*	S	Bend	trans	-145.3	27.2	-176.5	0	0	0	0	0	113.4
659	A	33.1	Very low	35.3	Very low	94 Å²	94	153.2 Å²	153.2	78%	0.777	85%	0.851	S	S	*	*	S	Bend	trans	-158.2	71.8	-177.6	0	0	0	0	0	111.8
660	L	31.8	Very low	36.1	Very low	173 Å²	173	158 Å²	158	91%	0.906	85%	0.851	S	S	*	*			trans	-176.9	87.3	155.3	-104.3	162	0	0	0	107.3
661	A	41.5	Very low	37.1	Very low	109 Å²	109	158.8 Å²	158.8	90%	0.901	85%	0.846	S	S	*	*			trans	-145	60.6	-177.8	0	0	0	0	0	109.6
662	A	34	Very low	38.7	Very low	80 Å²	80	153.5 Å²	153.5	66%	0.661	83%	0.832	S	S	*	*	S	Bend	trans	-157	136.6	169.5	0	0	0	0	0	108.9
663	E	39	Very low	40.6	Very low	194 Å²	194	149.2 Å²	149.2	91%	0.907	82%	0.819	S	S	*	*			trans	52	91.9	157.2	-66.9	169	-134.2	0	0	118.9
664	A	34.8	Very low	42.6	Very low	92 Å²	92	143.4 Å²	143.4	76%	0.76	80%	0.801	S	S	*	*			trans	-157.5	103.4	138.6	0	0	0	0	0	108.7
665	E	44.8	Very low	44.5	Very low	205 Å²	205	144.6 Å²	144.6	96%	0.958	79%	0.792	S	S	*	*			trans	-76	129	165.2	-68.6	-168.4	153.3	0	0	108.7
666	V	36.4	Very low	46.3	Very low	117 Å²	117	138 Å²	138	71%	0.709	78%	0.775	S	S	*	*			trans	-136.5	116.1	175	179.1	0	0	0	0	106.9	V668	V666-V668 PolarHBondContact O-N 3.47Å
667	E	41.6	Very low	48.4	Very low	194 Å²	194	132 Å²	132	91%	0.907	75%	0.752	S	S	*	*			trans	-63.7	116.7	170.9	-67.2	-177	114.5	0	0	109	E669	E667-E669 PolarHBondContact O-N 2.83Å
668	V	38	Very low	50.4	Low	127 Å²	127	125.5 Å²	125.5	77%	0.77	73%	0.728	S	S	*	*			trans	-85.2	88.8	171.2	-178.3	0	0	0	0	107.4	V666 E670	V666-V668 PolarHBondContact O-N 3.47Å; V668-E670 PolarHBondContact O-N 2.89Å; V668-E670 VanDerWaalsContact O-N 3.12Å
669	E	42.8	Very low	52.7	Low	172 Å²	172	126.4 Å²	126.4	80%	0.804	72%	0.716	S	S	*	*			trans	-58.7	111.8	168.4	-171.7	177.5	-157.1	0	0	108.8	E667 V671	E667-E669 PolarHBondContact O-N 2.83Å; E669-V671 VanDerWaalsContact C-N 3.29Å; E669-V671 PolarHBondContact O-N 3.37Å
670	E	48.5	Very low	55.2	Low	182 Å²	182	125.8 Å²	125.8	85%	0.85	70%	0.702	S	S	*	*			trans	-69.4	86.1	178.1	-77	-161.5	137.7	0	0	110	V668 P672	V668-E670 PolarHBondContact O-N 2.89Å; V668-E670 VanDerWaalsContact O-N 3.12Å; E670-P672 WeakPolarHBondContact O-CD 3.09Å
671	V	52.7	Low	57.9	Low	110 Å²	110	121.9 Å²	121.9	67%	0.667	68%	0.681	S	S	*	*			trans	-50.7	116	172.4	178.7	0	0	0	0	108.4	E669 N673	E669-V671 VanDerWaalsContact C-N 3.29Å; E669-V671 PolarHBondContact O-N 3.37Å; V671-N673 PolarHBondContact O-N 2.81Å
672	P	60.6	Low	60	Low	87 Å²	87	122.2 Å²	122.2	57%	0.565	67%	0.668	S	S	*	*			trans	-64.7	131.6	-171.2	24.4	-33.9	0	0	0	109.7	E670 T674 I677	E670-P672 WeakPolarHBondContact O-CD 3.09Å; P672-T674 VanDerWaalsContact C-N 3.33Å; P672-T674 WeakPolarHBondContact O-CA 3.47Å; P672-T674 PolarHBondContact O-N 2.87Å; P672-T674 PolarHBondContact O-OG1 2.82Å; P672-I677 HydrophobicContact CB-CD1 4.09Å
673	N	69	Low	62.7	Low	118 Å²	118	123.8 Å²	123.8	63%	0.631	66%	0.664	S	S	*	*			trans	-53.6	90.6	-175.5	-88.2	-69.1	0	0	0	111.7	V671 I675 L676 I677	V671-N673 PolarHBondContact O-N 2.81Å; N673-I675 PolarHBondContact O-N 3.07Å; N673-L676 HydrophobicContact CB-CB 4.31Å; N673-L676 HydrophobicContact CB-CD1 3.95Å; N673-L676 HydrophobicContact CB-CG 4.32Å; N673-L676 WeakPolarHBondContact O-CB 3.36Å; N673-L676 PolarHBondContact O-N 2.96Å; N673-I677 PolarHBondContact O-N 2.7Å
674	T	74.8	Confident	64.7	Low	89 Å²	89	119 Å²	119	55%	0.546	65%	0.645	S	S	.	*	H	α-helix	trans	-66.7	-29.4	-165.4	-21	0	0	0	0	111.1	P672 I677 C678	P672-T674 VanDerWaalsContact C-N 3.33Å; P672-T674 WeakPolarHBondContact O-CA 3.47Å; P672-T674 PolarHBondContact O-N 2.87Å; P672-T674 PolarHBondContact O-OG1 2.82Å; T674-I677 PolarHBondContact O-N 3.3Å; T674-C678 WeakPolarHBondContact O-CB 3.41Å; T674-C678 PolarHBondContact O-N 3.1Å; T674-C678 PolarHBondContact O-SG 2.78Å
675	I	74.3	Confident	67.3	Low	130 Å²	130	118.8 Å²	118.8	67%	0.667	63%	0.63	S	S	*	*	H	α-helix	trans	-57.1	-47.9	171.3	-59	175	0	0	0	110.9	N673 C678 M679	N673-I675 PolarHBondContact O-N 3.07Å; I675-C678 PolarHBondContact O-N 2.98Å; I675-M679 HydrophobicContact CG2-CG 4.4Å; I675-M679 WeakPolarHBondContact O-CG 3.24Å; I675-M679 PolarHBondContact O-N 2.96Å
676	L	73.7	Confident	69.1	Low	111 Å²	111	110.4 Å²	110.4	58%	0.581	60%	0.599	S	S	*	*	H	α-helix	trans	-65.7	-39.9	179.5	-76	171.8	0	0	0	111.8	N673 M679 V680	N673-L676 HydrophobicContact CB-CB 4.31Å; N673-L676 HydrophobicContact CB-CD1 3.95Å; N673-L676 HydrophobicContact CB-CG 4.32Å; N673-L676 WeakPolarHBondContact O-CB 3.36Å; N673-L676 PolarHBondContact O-N 2.96Å; L676-M679 PolarHBondContact O-N 3.09Å; L676-V680 WeakPolarHBondContact O-CG2 3.31Å; L676-V680 PolarHBondContact O-N 3.37Å
677	I	77.9	Confident	71.4	Confident	83 Å²	83	109.5 Å²	109.5	43%	0.426	59%	0.59	S	S	.	*	H	α-helix	trans	-61.1	-48.7	175.4	-64.6	173.8	0	0	0	110.1	P672 N673 T674 M679 V680 I681	P672-I677 HydrophobicContact CB-CD1 4.09Å; N673-I677 PolarHBondContact O-N 2.7Å; T674-I677 PolarHBondContact O-N 3.3Å; I677-M679 PolarHBondContact O-N 2.78Å; I677-V680 PolarHBondContact O-N 2.86Å; I677-I681 HydrophobicContact CG2-CD1 3.78Å; I677-I681 WeakPolarHBondContact O-CG1 3.31Å; I677-I681 PolarHBondContact O-N 3.5Å
678	C	76.2	Confident	73.4	Confident	65 Å²	65	102.9 Å²	102.9	44%	0.439	57%	0.568	S	S	.	*	H	α-helix	trans	-61	-39.7	175.6	-70	0	0	0	0	112.7	T674 I675 I681 L682	T674-C678 WeakPolarHBondContact O-CB 3.41Å; T674-C678 PolarHBondContact O-N 3.1Å; T674-C678 PolarHBondContact O-SG 2.78Å; I675-C678 PolarHBondContact O-N 2.98Å; C678-I681 PolarHBondContact O-N 3.38Å; C678-L682 WeakPolarHBondContact O-CB 3.31Å; C678-L682 VanDerWaalsContact O-CG 3.26Å; C678-L682 WeakPolarHBondContact O-CG 3.36Å; C678-L682 PolarHBondContact O-N 3.23Å
679	M	81.5	Confident	75.5	Confident	123 Å²	123	101.7 Å²	101.7	61%	0.606	56%	0.556	S	S	*	*	H	α-helix	trans	-64.7	-40.7	176.7	-65	-139.2	78.8	0	0	112.3	I675 L676 I677 L683	I675-M679 HydrophobicContact CG2-CG 4.4Å; I675-M679 WeakPolarHBondContact O-CG 3.24Å; I675-M679 PolarHBondContact O-N 2.96Å; L676-M679 PolarHBondContact O-N 3.09Å; I677-M679 PolarHBondContact O-N 2.78Å; M679-L683 WeakPolarHBondContact O-CB 3.27Å; M679-L683 PolarHBondContact O-N 2.82Å
680	V	86.4	Confident	77.3	Confident	81 Å²	81	98.7 Å²	98.7	49%	0.491	55%	0.545	S	S	.	.	H	α-helix	trans	-67.5	-41.1	176.7	172.5	0	0	0	0	111.4	L676 I677 L683 N684	L676-V680 WeakPolarHBondContact O-CG2 3.31Å; L676-V680 PolarHBondContact O-N 3.37Å; I677-V680 PolarHBondContact O-N 2.86Å; V680-L683 PolarHBondContact O-N 3.31Å; V680-N684 WeakPolarHBondContact O-CB 3.41Å; V680-N684 VanDerWaalsContact O-CG 3.3Å; V680-N684 PolarHBondContact O-N 2.84Å
681	I	87.4	Confident	78.8	Confident	90 Å²	90	96.9 Å²	96.9	46%	0.462	54%	0.535	S	S	.	.	H	α-helix	trans	-61.6	-47.8	175.4	-69.5	168	0	0	0	110.7	I677 C678 L683 N684 I685	I677-I681 HydrophobicContact CG2-CD1 3.78Å; I677-I681 WeakPolarHBondContact O-CG1 3.31Å; I677-I681 PolarHBondContact O-N 3.5Å; C678-I681 PolarHBondContact O-N 3.38Å; I681-L683 VanDerWaalsContact C-N 3.35Å; I681-L683 PolarHBondContact O-N 3.39Å; I681-N684 PolarHBondContact O-N 3.3Å; I681-I685 HydrophobicContact CG2-CD1 3.73Å; I681-I685 VanDerWaalsContact O-CG1 3.31Å; I681-I685 WeakPolarHBondContact O-CG1 3.38Å; I681-I685 PolarHBondContact O-N 3.35Å
682	L	86.8	Confident	80.1	Confident	117 Å²	117	95.8 Å²	95.8	61%	0.613	53%	0.528	S	S	*	.	H	α-helix	trans	-64.1	-37.3	178.2	-71.3	169.4	0	0	0	112.6	C678 G686	C678-L682 WeakPolarHBondContact O-CB 3.31Å; C678-L682 VanDerWaalsContact O-CG 3.26Å; C678-L682 WeakPolarHBondContact O-CG 3.36Å; C678-L682 PolarHBondContact O-N 3.23Å; L682-G686 PolarHBondContact O-N 2.82Å
683	L	89.7	Confident	80.5	Confident	113 Å²	113	98.5 Å²	98.5	59%	0.592	53%	0.533	S	S	*	.	H	α-helix	trans	-63.3	-45.8	174.9	-171.6	73.7	0	0	0	111.5	M679 V680 I681 G686 L687	M679-L683 WeakPolarHBondContact O-CB 3.27Å; M679-L683 PolarHBondContact O-N 2.82Å; V680-L683 PolarHBondContact O-N 3.31Å; I681-L683 VanDerWaalsContact C-N 3.35Å; I681-L683 PolarHBondContact O-N 3.39Å; L683-G686 PolarHBondContact O-N 3.22Å; L683-L687 HydrophobicContact CG-CD1 4.32Å; L683-L687 WeakPolarHBondContact O-CG 3.29Å; L683-L687 PolarHBondContact O-N 2.79Å
684	N	81.4	Confident	80.5	Confident	93 Å²	93	99.7 Å²	99.7	50%	0.497	54%	0.539	S	S	.	.	H	α-helix	trans	-66.9	-37.7	179.2	-71	-14.1	0	0	0	112.2	V680 I681 L687 A688	V680-N684 WeakPolarHBondContact O-CB 3.41Å; V680-N684 VanDerWaalsContact O-CG 3.3Å; V680-N684 PolarHBondContact O-N 2.84Å; I681-N684 PolarHBondContact O-N 3.3Å; N684-L687 PolarHBondContact O-N 3.3Å; N684-A688 WeakPolarHBondContact O-CB 3.44Å; N684-A688 PolarHBondContact O-N 3.22Å
685	I	88.5	Confident	80	Confident	87 Å²	87	101.8 Å²	101.8	45%	0.446	55%	0.546	S	S	.	.	H	α-helix	trans	-64.8	-43.8	173.1	-68.8	167.2	0	0	0	110.6	I681 L687 A688 I689	I681-I685 HydrophobicContact CG2-CD1 3.73Å; I681-I685 VanDerWaalsContact O-CG1 3.31Å; I681-I685 WeakPolarHBondContact O-CG1 3.38Å; I681-I685 PolarHBondContact O-N 3.35Å; I685-L687 PolarHBondContact O-N 3.32Å; I685-A688 PolarHBondContact O-N 3Å; I685-I689 HydrophobicContact CG2-CD1 3.81Å; I685-I689 HydrophobicContact CG2-CG1 4.49Å; I685-I689 WeakPolarHBondContact O-CG1 3.26Å; I685-I689 PolarHBondContact O-N 3.3Å
686	G	82.2	Confident	78.9	Confident	30 Å²	30	102.7 Å²	102.7	31%	0.309	56%	0.558	S	S	.	*	H	α-helix	trans	-60.7	-42.8	175.7	0	0	0	0	0	112.9	L682 L683 I689 L690	L682-G686 PolarHBondContact O-N 2.82Å; L683-G686 PolarHBondContact O-N 3.22Å; G686-I689 PolarHBondContact O-N 3.03Å; G686-L690 WeakPolarHBondContact O-CG 3.26Å; G686-L690 PolarHBondContact O-N 2.86Å
687	L	86.6	Confident	79.2	Confident	98 Å²	98	102.3 Å²	102.3	51%	0.513	56%	0.556	S	S	.	*	H	α-helix	trans	-63.1	-42.9	173.7	-77.3	165.6	0	0	0	112.1	L683 N684 I685 L690 F691	L683-L687 HydrophobicContact CG-CD1 4.32Å; L683-L687 WeakPolarHBondContact O-CG 3.29Å; L683-L687 PolarHBondContact O-N 2.79Å; N684-L687 PolarHBondContact O-N 3.3Å; I685-L687 PolarHBondContact O-N 3.32Å; L687-L690 PolarHBondContact O-N 2.8Å; L687-F691 WeakPolarHBondContact O-CB 3.49Å; L687-F691 PolarHBondContact O-N 2.95Å
688	A	82.3	Confident	79.3	Confident	55 Å²	55	103.3 Å²	103.3	46%	0.455	56%	0.563	S	S	.	*	H	α-helix	trans	-63.5	-41.5	177.3	0	0	0	0	0	112.5	N684 I685 F691 V692	N684-A688 WeakPolarHBondContact O-CB 3.44Å; N684-A688 PolarHBondContact O-N 3.22Å; I685-A688 PolarHBondContact O-N 3Å; A688-F691 PolarHBondContact O-N 3.46Å; A688-V692 WeakPolarHBondContact O-CG2 3.33Å; A688-V692 PolarHBondContact O-N 3.12Å
689	I	83	Confident	79.4	Confident	101 Å²	101	105.4 Å²	105.4	52%	0.518	57%	0.57	S	S	.	*	H	α-helix	trans	-63.3	-43.9	175.9	-68	165.1	0	0	0	110.8	I685 G686 F691 V692 H693	I685-I689 HydrophobicContact CG2-CD1 3.81Å; I685-I689 HydrophobicContact CG2-CG1 4.49Å; I685-I689 WeakPolarHBondContact O-CG1 3.26Å; I685-I689 PolarHBondContact O-N 3.3Å; G686-I689 PolarHBondContact O-N 3.03Å; I689-F691 VanDerWaalsContact C-N 3.31Å; I689-F691 PolarHBondContact O-N 2.8Å; I689-V692 PolarHBondContact O-N 2.82Å; I689-H693 PolarHBondContact O-N 3.17Å
690	L	80.3	Confident	79.3	Confident	110 Å²	110	104.4 Å²	104.4	58%	0.576	57%	0.568	S	S	*	*	H	α-helix	trans	-62.4	-37.8	174.2	-73.7	169.5	0	0	0	112.3	G686 L687 H693 L694	G686-L690 WeakPolarHBondContact O-CG 3.26Å; G686-L690 PolarHBondContact O-N 2.86Å; L687-L690 PolarHBondContact O-N 2.8Å; L690-H693 PolarHBondContact O-N 2.99Å; L690-L694 PolarHBondContact O-N 2.87Å; L690-L694 VanDerWaalsContact O-N 3.1Å
691	F	79.3	Confident	78.9	Confident	143 Å²	143	105.9 Å²	105.9	63%	0.627	57%	0.573	S	S	*	*	H	α-helix	trans	-68	-38.3	178.5	-146.4	-101.6	0	0	0	112	L687 A688 I689 L694 L695	L687-F691 WeakPolarHBondContact O-CB 3.49Å; L687-F691 PolarHBondContact O-N 2.95Å; A688-F691 PolarHBondContact O-N 3.46Å; I689-F691 VanDerWaalsContact C-N 3.31Å; I689-F691 PolarHBondContact O-N 2.8Å; F691-L694 PolarHBondContact O-N 2.91Å; F691-L695 HydrophobicContact CD1-CD1 3.65Å; F691-L695 HydrophobicContact CE1-CD1 3.74Å; F691-L695 WeakPolarHBondContact O-CG 3.1Å; F691-L695 PolarHBondContact O-N 3.19Å
692	V	79.7	Confident	78.3	Confident	88 Å²	88	106.9 Å²	106.9	53%	0.533	58%	0.58	S	S	.	*	H	α-helix	trans	-64.9	-46.2	172.5	172.9	0	0	0	0	110.9	A688 I689 L694 L695 T696	A688-V692 WeakPolarHBondContact O-CG2 3.33Å; A688-V692 PolarHBondContact O-N 3.12Å; I689-V692 PolarHBondContact O-N 2.82Å; V692-L694 PolarHBondContact O-N 2.78Å; V692-L694 VanDerWaalsContact O-N 3.13Å; V692-L695 CarbonylContact O-C 3.51Å; V692-L695 PolarHBondContact O-N 3.2Å; V692-T696 HydrophobicContact CG1-CG2 4.19Å; V692-T696 PolarHBondContact O-N 2.99Å; V692-T696 VanDerWaalsContact O-N 3.16Å; V692-T696 PolarHBondContact O-OG1 2.61Å
693	H	70.2	Confident	77.7	Confident	144 Å²	144	106.2 Å²	106.2	67%	0.667	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-3.6	175	-92.7	-1.9	0	0	0	115.4	I689 L690	I689-H693 PolarHBondContact O-N 3.17Å; L690-H693 PolarHBondContact O-N 2.99Å
694	L	68.3	Low	76.8	Confident	143 Å²	143	105.7 Å²	105.7	75%	0.749	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	0.1	169.9	-81.7	162.3	0	0	0	112.8	L690 F691 V692	L690-L694 PolarHBondContact O-N 2.87Å; L690-L694 VanDerWaalsContact O-N 3.1Å; F691-L694 PolarHBondContact O-N 2.91Å; V692-L694 PolarHBondContact O-N 2.78Å; V692-L694 VanDerWaalsContact O-N 3.13Å
695	L	64.2	Low	76.4	Confident	132 Å²	132	106.8 Å²	106.8	69%	0.691	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.5	4.6	-180	-67.4	173.8	0	0	0	113	F691 V692	F691-L695 HydrophobicContact CD1-CD1 3.65Å; F691-L695 HydrophobicContact CE1-CD1 3.74Å; F691-L695 WeakPolarHBondContact O-CG 3.1Å; F691-L695 PolarHBondContact O-N 3.19Å; V692-L695 CarbonylContact O-C 3.51Å; V692-L695 PolarHBondContact O-N 3.2Å
696	T	52.2	Low	75.3	Confident	150 Å²	150	108.5 Å²	108.5	92%	0.92	60%	0.596	S	S	*	*			trans	-123.2	0	173.8	60.5	0	0	0	0	110.7	V692	V692-T696 HydrophobicContact CG1-CG2 4.19Å; V692-T696 PolarHBondContact O-N 2.99Å; V692-T696 VanDerWaalsContact O-N 3.16Å; V692-T696 PolarHBondContact O-OG1 2.61Å

Retrieved 696 of 696 residues in 329.1 ms (Link to these results)

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