A0A5K4F9L9_SCHMA Loading...

Pre-mRNA-processing factor 19

Ubiquitin-protein ligase which is mainly involved pre-mRNA splicing and DNA repair. Required for pre-mRNA splicing as component of the spliceosome.

AlphaFold DB , UniProt , Accession A0A5K4F9L9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 534 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	51.7	Low	80.8	Confident	240 Å²	240	84.8 Å²	84.8	100%	1.182	46%	0.464	S	S	*	.				0	126.4	0	-73.6	-134.8	-86.5	0	0	107.3
2	S	66.1	Low	81	Confident	84 Å²	84	78.3 Å²	78.3	59%	0.587	43%	0.429	S	S	*	.			trans	-66.3	135.9	172	46.8	0	0	0	0	109.1	L4	S2-L4 PolarHBondContact O-N 3.27Å
3	L	79.3	Confident	81.1	Confident	59 Å²	59	78.7 Å²	78.7	31%	0.309	43%	0.426	S	S	.	.			trans	-68	127.3	170.4	-62.2	160	0	0	0	107.1	P12 I24 I55 T57	L3-P12 VanDerWaalsContact O-CD 3.27Å; L3-P12 WeakPolarHBondContact O-CD 3.43Å; L3-I24 HydrophobicContact CB-CD1 4.25Å; L3-I24 HydrophobicContact CD2-CD1 3.28Å; L3-I24 HydrophobicContact CD2-CG1 4.33Å; L3-I24 HydrophobicContact CG-CD1 4.33Å; L3-I55 HydrophobicContact CD1-CG2 4.13Å; L3-I55 HydrophobicContact CD2-CD1 4.45Å; L3-T57 HydrophobicContact CD1-CG2 3.34Å
4	L	85.6	Confident	81.5	Confident	73 Å²	73	81.9 Å²	81.9	38%	0.382	44%	0.436	S	S	.	.			trans	-118.4	134.1	177.4	-70.1	169.3	0	0	0	108.4	S2 S6 V11	S2-L4 PolarHBondContact O-N 3.27Å; L4-S6 PolarHBondContact O-N 3.07Å; L4-V11 HydrophobicContact CD2-CG2 3.88Å
5	C	87.8	Confident	82	Confident	1 Å²	1	76.7 Å²	76.7	1%	0.007	41%	0.409	C	S	.	.			trans	-67	127.2	173.8	173.6	0	0	0	0	109.2	L7 S8 N9 E10 P12 I24 E26	C5-L7 PolarHBondContact O-N 2.92Å; C5-L7 PolarHBondContact SG-N 3.19Å; C5-S8 VanDerWaalsContact CB-OG 3.29Å; C5-S8 WeakPolarHBondContact CB-OG 3.45Å; C5-S8 PolarHBondContact SG-N 3.41Å; C5-S8 PolarHBondContact SG-OG 2.97Å; C5-N9 WeakPolarHBondContact O-CA 3.47Å; C5-N9 PolarHBondContact O-N 2.86Å; C5-E10 WeakPolarHBondContact CB-O 3.49Å; C5-E10 PolarHBondContact N-O 3.48Å; C5-P12 HydrophobicContact CB-CB 4.44Å; C5-I24 CarbonylContact C-O 3.53Å; C5-I24 WeakPolarHBondContact CA-O 3.48Å; C5-E26 PolarHBondContact SG-N 2.88Å
6	S	88.2	Confident	82.6	Confident	48 Å²	48	71.9 Å²	71.9	34%	0.336	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-17.4	-178.8	-62.2	0	0	0	0	113.4	L4 H23 I24	L4-S6 PolarHBondContact O-N 3.07Å; S6-H23 PolarHBondContact OG-ND1 3.14Å; S6-I24 PolarHBondContact N-O 3.2Å; S6-I24 PolarHBondContact OG-O 3.48Å
7	L	88.2	Confident	83.2	Confident	71 Å²	71	69.3 Å²	69.3	37%	0.372	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-50.9	175.4	-76.3	168.4	0	0	0	113.1	C5 F25 L29 I30 P41	C5-L7 PolarHBondContact O-N 2.92Å; C5-L7 PolarHBondContact SG-N 3.19Å; L7-F25 HydrophobicContact CB-CD1 4.37Å; L7-F25 HydrophobicContact CD1-CD1 3.71Å; L7-F25 HydrophobicContact CD1-CE1 4.18Å; L7-F25 HydrophobicContact CG-CD1 3.69Å; L7-F25 HydrophobicContact CG-CE1 3.86Å; L7-L29 HydrophobicContact CD1-CB 4.24Å; L7-I30 HydrophobicContact CD1-CD1 4.44Å; L7-P41 HydrophobicContact CD1-CG 4.28Å; L7-P41 HydrophobicContact CD2-CB 3.92Å; L7-P41 HydrophobicContact CD2-CG 4.16Å; L7-P41 HydrophobicContact CG-CG 4.34Å
8	S	87.4	Confident	83.6	Confident	43 Å²	43	65.4 Å²	65.4	30%	0.301	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-16.3	-177.2	56.5	0	0	0	0	113.6	C5 E10	C5-S8 VanDerWaalsContact CB-OG 3.29Å; C5-S8 WeakPolarHBondContact CB-OG 3.45Å; C5-S8 PolarHBondContact SG-N 3.41Å; C5-S8 PolarHBondContact SG-OG 2.97Å; S8-E10 PolarHBondContact O-N 3.33Å; S8-E10 VanDerWaalsContact O-N 3.14Å; S8-E10 PolarHBondContact OG-N 3.26Å
9	N	85.4	Confident	83.9	Confident	125 Å²	125	65.5 Å²	65.5	67%	0.668	35%	0.354	S	S	*	.			trans	56.6	19.5	-170.1	-143.4	7.7	0	0	0	113.8	C5	C5-N9 WeakPolarHBondContact O-CA 3.47Å; C5-N9 PolarHBondContact O-N 2.86Å
10	E	84.8	Confident	84.1	Confident	133 Å²	133	67.8 Å²	67.8	62%	0.621	36%	0.358	S	S	*	.	S	Bend	trans	-103.2	162.2	174.4	-66.1	-176.9	166.4	0	0	110.1	C5 S8 P12	C5-E10 WeakPolarHBondContact CB-O 3.49Å; C5-E10 PolarHBondContact N-O 3.48Å; S8-E10 PolarHBondContact O-N 3.33Å; S8-E10 VanDerWaalsContact O-N 3.14Å; S8-E10 PolarHBondContact OG-N 3.26Å; E10-P12 WeakPolarHBondContact O-CD 3.48Å
11	V	84	Confident	84.4	Confident	56 Å²	56	65.7 Å²	65.7	34%	0.339	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-70.1	121.3	172.4	-179.2	0	0	0	0	108.4	L4 F60	L4-V11 HydrophobicContact CD2-CG2 3.88Å; V11-F60 HydrophobicContact CB-CD2 4.49Å; V11-F60 HydrophobicContact CB-CE2 4.24Å; V11-F60 HydrophobicContact CG1-CD2 4Å; V11-F60 HydrophobicContact CG1-CE2 4.2Å
12	P	83.7	Confident	86.1	Confident	6 Å²	6	56.9 Å²	56.9	4%	0.039	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-73.8	142.8	-179.4	30.3	-34.8	0	0	0	112.1	L3 C5 E10 P15 I24 E26	L3-P12 VanDerWaalsContact O-CD 3.27Å; L3-P12 WeakPolarHBondContact O-CD 3.43Å; C5-P12 HydrophobicContact CB-CB 4.44Å; E10-P12 WeakPolarHBondContact O-CD 3.48Å; P12-P15 HydrophobicContact CB-CB 4.23Å; P12-P15 HydrophobicContact CG-CB 3.64Å; P12-P15 HydrophobicContact CG-CG 4.3Å; P12-I24 HydrophobicContact CG-CG2 4.19Å; P12-E26 VanDerWaalsContact C-OE2 3.28Å; P12-E26 WeakPolarHBondContact CA-OE2 3.4Å; P12-E26 HydrophobicContact CB-CB 4.11Å; P12-E26 WeakPolarHBondContact CB-OE2 3.49Å
13	E	81.6	Confident	87.2	Confident	84 Å²	84	56.7 Å²	56.7	39%	0.393	31%	0.309	S	S	.	.	S	Bend	trans	-76.1	-41.9	170.5	-67.9	-174	160.7	0	0	110.8	P15 E26 R62	E13-P15 WeakPolarHBondContact O-CD 3.33Å; E13-E26 PolarHBondContact N-OE2 2.9Å; E13-R62 IonicContact OE1-CZ 3.9Å; E13-R62 IonicContact OE1-NE 3.62Å; E13-R62 IonicContact OE1-NH2 3.6Å; E13-R62 PolarHBondContact OE1-NH2 3.44Å; E13-R62 IonicContact OE2-NH2 3.23Å
14	H	87.3	Confident	87.8	Confident	124 Å²	124	55.6 Å²	55.6	57%	0.574	30%	0.303	S	S	*	.	S	Bend	trans	-119.7	81.7	172.9	-64.8	-57.5	0	0	0	109.8	V16 E26 R27	H14-V16 PolarHBondContact O-N 2.97Å; H14-E26 PolarHBondContact N-OE1 2.91Å; H14-E26 PolarHBondContact N-OE2 2.83Å; H14-R27 HydrophobicContact CB-CB 3.98Å; H14-R27 PolarHBondContact O-N 3.31Å
15	P	89.2	Confident	88.1	Confident	4 Å²	4	52.1 Å²	52.1	3%	0.026	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	125	178.8	17.9	-22.6	0	0	0	110.9	P12 E13 I24 F25 I55 T57	P12-P15 HydrophobicContact CB-CB 4.23Å; P12-P15 HydrophobicContact CG-CB 3.64Å; P12-P15 HydrophobicContact CG-CG 4.3Å; E13-P15 WeakPolarHBondContact O-CD 3.33Å; P15-I24 HydrophobicContact CB-CG2 4Å; P15-F25 WeakPolarHBondContact CA-O 3.45Å; P15-I55 HydrophobicContact CB-CB 4.09Å; P15-I55 HydrophobicContact CB-CD1 4.44Å; P15-I55 HydrophobicContact CG-CB 4.12Å; P15-I55 PolarHBondContact O-N 3.44Å; P15-T57 HydrophobicContact CG-CG2 3.57Å; P15-T57 VanDerWaalsContact CG-OG1 3.28Å; P15-T57 WeakPolarHBondContact CG-OG1 3.35Å
16	V	91.3	Very high	88.3	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	149.2	169.6	-66.6	0	0	0	0	109.8	H14 I24 F25 R27 I30 L52 I53 D54	H14-V16 PolarHBondContact O-N 2.97Å; V16-I24 CarbonylContact O-C 3.57Å; V16-I24 WeakPolarHBondContact O-CA 3.44Å; V16-F25 HydrophobicContact CG2-CB 4.19Å; V16-F25 WeakPolarHBondContact CG2-O 3.46Å; V16-F25 PolarHBondContact N-O 3.37Å; V16-F25 PolarHBondContact O-N 2.75Å; V16-R27 HydrophobicContact CG1-CB 3.83Å; V16-R27 HydrophobicContact CG1-CG 3.99Å; V16-R27 HydrophobicContact CG2-CB 4.16Å; V16-I30 HydrophobicContact CG2-CG2 3.54Å; V16-L52 HydrophobicContact CB-CB 4.41Å; V16-L52 HydrophobicContact CG2-CD1 4.5Å; V16-L52 HydrophobicContact CG2-CD2 4.41Å; V16-I53 CarbonylContact C-O 3.52Å; V16-I53 VanDerWaalsContact CA-O 3.29Å; V16-I53 WeakPolarHBondContact CA-O 3.28Å; V16-D54 VanDerWaalsContact CG1-OD1 3.23Å; V16-D54 WeakPolarHBondContact CG1-OD1 3.46Å
17	V	92.9	Very high	88.4	Confident	27 Å²	27	55.3 Å²	55.3	16%	0.164	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	135.3	174.8	168.1	0	0	0	0	109.9	H23 I24 I53 I55	V17-H23 WeakPolarHBondContact CA-O 3.43Å; V17-I24 HydrophobicContact CG2-CB 4.37Å; V17-I24 HydrophobicContact CG2-CG1 3.6Å; V17-I53 PolarHBondContact N-O 3.47Å; V17-I53 PolarHBondContact O-N 2.88Å; V17-I55 HydrophobicContact CG2-CD1 3.37Å; V17-I55 HydrophobicContact CG2-CG1 3.99Å
18	S	90.3	Very high	88.5	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.302	C	S	.	.			trans	-78	126.8	165.3	171.9	0	0	0	0	109.7	R20 S21 G22 H23 D40 L47	S18-R20 PolarHBondContact O-N 2.89Å; S18-R20 PolarHBondContact OG-N 2.96Å; S18-S21 WeakPolarHBondContact CB-OG 3.22Å; S18-G22 VanDerWaalsContact O-CA 3.23Å; S18-G22 WeakPolarHBondContact O-CA 3.36Å; S18-G22 PolarHBondContact O-N 3.48Å; S18-H23 PolarHBondContact N-O 3.41Å; S18-H23 VanDerWaalsContact N-O 3.16Å; S18-D40 WeakPolarHBondContact CB-OD2 3.38Å; S18-D40 PolarHBondContact OG-OD2 3.44Å; S18-L47 WeakPolarHBondContact OG-CD2 3.4Å
19	P	89.6	Confident	88.7	Confident	67 Å²	67	60 Å²	60	44%	0.435	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-14.7	174.8	29.1	-34.9	0	0	0	113	L47 E51	P19-L47 HydrophobicContact CG-CD1 4.28Å; P19-E51 VanDerWaalsContact CD-O 3.27Å; P19-E51 WeakPolarHBondContact CD-O 3.22Å; P19-E51 HydrophobicContact CG-CB 4.18Å; P19-E51 WeakPolarHBondContact CG-O 3.41Å
20	R	88.4	Confident	89	Confident	110 Å²	110	54.1 Å²	54.1	42%	0.415	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-60.6	-178.1	-55.1	-65.9	174.9	170.2	-1.4	110.9	S18 D43 L47 E51	S18-R20 PolarHBondContact O-N 2.89Å; S18-R20 PolarHBondContact OG-N 2.96Å; R20-D43 VanDerWaalsContact CB-OD2 3.28Å; R20-D43 WeakPolarHBondContact CB-OD2 3.41Å; R20-L47 HydrophobicContact CG-CD1 3.95Å; R20-E51 IonicContact CZ-OE2 3.48Å; R20-E51 IonicContact NE-OE2 3.71Å; R20-E51 PolarHBondContact NE-OE2 2.9Å; R20-E51 IonicContact NH2-OE1 2.92Å; R20-E51 PolarHBondContact NH2-OE1 2.92Å; R20-E51 IonicContact NH2-OE2 2.65Å; R20-E51 PolarHBondContact NH2-OE2 3.36Å
21	S	88.8	Confident	89.3	Confident	25 Å²	25	51 Å²	51	18%	0.175	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-19.2	-178.3	61.8	0	0	0	0	113.3	S18 H23 D40 D43	S18-S21 WeakPolarHBondContact CB-OG 3.22Å; S21-H23 PolarHBondContact O-CD2 3.42Å; S21-H23 VanDerWaalsContact O-CD2 3.28Å; S21-H23 PolarHBondContact O-N 3.17Å; S21-D40 WeakPolarHBondContact CB-OD1 3.43Å; S21-D40 WeakPolarHBondContact CB-OD2 3.41Å; S21-D40 PolarHBondContact OG-OD1 2.82Å; S21-D40 PolarHBondContact OG-OD2 3.18Å; S21-D43 PolarHBondContact N-OD2 3.34Å
22	G	87.5	Confident	89.7	Confident	54 Å²	54	54.4 Å²	54.4	56%	0.557	26%	0.264	S	S	*	.			trans	69.9	6.3	-173.7	0	0	0	0	0	113.8	S18	S18-G22 VanDerWaalsContact O-CA 3.23Å; S18-G22 WeakPolarHBondContact O-CA 3.36Å; S18-G22 PolarHBondContact O-N 3.48Å
23	H	90.8	Very high	90	Very high	81 Å²	81	56.7 Å²	56.7	38%	0.375	27%	0.272	S	S	.	.			trans	-85.8	152.2	-179.6	-80.8	-87.5	0	0	0	112	S6 V17 S18 S21 F25 I42	S6-H23 PolarHBondContact OG-ND1 3.14Å; V17-H23 WeakPolarHBondContact CA-O 3.43Å; S18-H23 PolarHBondContact N-O 3.41Å; S18-H23 VanDerWaalsContact N-O 3.16Å; S21-H23 PolarHBondContact O-CD2 3.42Å; S21-H23 VanDerWaalsContact O-CD2 3.28Å; S21-H23 PolarHBondContact O-N 3.17Å; H23-F25 HydrophobicContact CB-CE2 3.84Å; H23-F25 HydrophobicContact CB-CZ 3.71Å; H23-F25 WeakPolarHBondContact O-CD2 3.36Å; H23-F25 WeakPolarHBondContact O-CE2 3.35Å; H23-I42 HydrophobicContact CB-CG1 4.45Å
24	I	90.6	Very high	90.5	Very high	35 Å²	35	53.2 Å²	53.2	18%	0.179	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	136.8	179.4	-59.6	149.1	0	0	0	108.9	L3 C5 S6 P12 P15 V16 V17 I55	L3-I24 HydrophobicContact CB-CD1 4.25Å; L3-I24 HydrophobicContact CD2-CD1 3.28Å; L3-I24 HydrophobicContact CD2-CG1 4.33Å; L3-I24 HydrophobicContact CG-CD1 4.33Å; C5-I24 CarbonylContact C-O 3.53Å; C5-I24 WeakPolarHBondContact CA-O 3.48Å; S6-I24 PolarHBondContact N-O 3.2Å; S6-I24 PolarHBondContact OG-O 3.48Å; P12-I24 HydrophobicContact CG-CG2 4.19Å; P15-I24 HydrophobicContact CB-CG2 4Å; V16-I24 CarbonylContact O-C 3.57Å; V16-I24 WeakPolarHBondContact O-CA 3.44Å; V17-I24 HydrophobicContact CG2-CB 4.37Å; V17-I24 HydrophobicContact CG2-CG1 3.6Å; I24-I55 HydrophobicContact CG1-CD1 4.12Å
25	F	92.4	Very high	90.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	158	177.8	-56.2	-78.8	0	0	0	111.2	L7 P15 V16 H23 I30 P41 I42	L7-F25 HydrophobicContact CB-CD1 4.37Å; L7-F25 HydrophobicContact CD1-CD1 3.71Å; L7-F25 HydrophobicContact CD1-CE1 4.18Å; L7-F25 HydrophobicContact CG-CD1 3.69Å; L7-F25 HydrophobicContact CG-CE1 3.86Å; P15-F25 WeakPolarHBondContact CA-O 3.45Å; V16-F25 HydrophobicContact CG2-CB 4.19Å; V16-F25 WeakPolarHBondContact CG2-O 3.46Å; V16-F25 PolarHBondContact N-O 3.37Å; V16-F25 PolarHBondContact O-N 2.75Å; H23-F25 HydrophobicContact CB-CE2 3.84Å; H23-F25 HydrophobicContact CB-CZ 3.71Å; H23-F25 WeakPolarHBondContact O-CD2 3.36Å; H23-F25 WeakPolarHBondContact O-CE2 3.35Å; F25-I30 HydrophobicContact CB-CB 3.78Å; F25-I30 HydrophobicContact CB-CG1 4.34Å; F25-I30 HydrophobicContact CB-CG2 4.04Å; F25-I30 HydrophobicContact CD1-CD1 4.33Å; F25-I30 HydrophobicContact CD2-CD1 4.17Å; F25-I30 HydrophobicContact CD2-CG1 4.27Å; F25-I30 HydrophobicContact CE2-CD1 4.41Å; F25-I30 HydrophobicContact CG-CB 4.17Å; F25-I30 HydrophobicContact CG-CD1 4.12Å; F25-I30 HydrophobicContact CG-CG1 4.25Å; F25-P41 HydrophobicContact CD1-CG 4.39Å; F25-P41 HydrophobicContact CE1-CG 3.58Å; F25-P41 HydrophobicContact CZ-CG 3.69Å; F25-I42 HydrophobicContact CE1-CG1 4.3Å; F25-I42 HydrophobicContact CZ-CG1 3.86Å
26	E	91.4	Very high	90.7	Very high	24 Å²	24	56.8 Å²	56.8	11%	0.112	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	126.1	162.2	175.4	58.2	-119.9	0	0	108.6	C5 P12 E13 H14 R28 L29 I30	C5-E26 PolarHBondContact SG-N 2.88Å; P12-E26 VanDerWaalsContact C-OE2 3.28Å; P12-E26 WeakPolarHBondContact CA-OE2 3.4Å; P12-E26 HydrophobicContact CB-CB 4.11Å; P12-E26 WeakPolarHBondContact CB-OE2 3.49Å; E13-E26 PolarHBondContact N-OE2 2.9Å; H14-E26 PolarHBondContact N-OE1 2.91Å; H14-E26 PolarHBondContact N-OE2 2.83Å; E26-R28 VanDerWaalsContact C-N 3.28Å; E26-R28 HydrophobicContact CG-CB 4.42Å; E26-R28 PolarHBondContact O-N 3.18Å; E26-L29 HydrophobicContact CB-CB 4.23Å; E26-L29 HydrophobicContact CB-CD1 3.98Å; E26-L29 HydrophobicContact CB-CG 4.14Å; E26-L29 HydrophobicContact CG-CD1 4.42Å; E26-L29 HydrophobicContact CG-CG 4.25Å; E26-L29 PolarHBondContact O-N 3.4Å; E26-I30 PolarHBondContact O-N 2.66Å
27	R	90.9	Very high	90.7	Very high	92 Å²	92	60.9 Å²	60.9	35%	0.347	31%	0.313	S	S	.	.	H	α-helix	trans	-50.6	-47.4	-175	-173	166.9	179.1	153.7	-2.3	112.8	H14 V16 L29 I30 E31 D54	H14-R27 HydrophobicContact CB-CB 3.98Å; H14-R27 PolarHBondContact O-N 3.31Å; V16-R27 HydrophobicContact CG1-CB 3.83Å; V16-R27 HydrophobicContact CG1-CG 3.99Å; V16-R27 HydrophobicContact CG2-CB 4.16Å; R27-L29 VanDerWaalsContact C-N 3.28Å; R27-L29 PolarHBondContact O-N 3.48Å; R27-I30 WeakPolarHBondContact O-CG2 3.19Å; R27-I30 PolarHBondContact O-N 2.94Å; R27-E31 HydrophobicContact CG-CG 4.2Å; R27-E31 WeakPolarHBondContact CG-OE1 3.48Å; R27-E31 IonicContact CZ-OE1 3.09Å; R27-E31 IonicContact NE-OE1 2.84Å; R27-E31 PolarHBondContact NE-OE1 3.27Å; R27-E31 IonicContact NH2-OE1 3.52Å; R27-E31 WeakPolarHBondContact O-CB 3.39Å; R27-E31 VanDerWaalsContact O-CG 3.32Å; R27-E31 WeakPolarHBondContact O-CG 3.38Å; R27-E31 PolarHBondContact O-N 2.88Å; R27-D54 IonicContact CZ-OD1 3.79Å; R27-D54 IonicContact NH1-OD1 3.05Å; R27-D54 PolarHBondContact NH1-OD1 3.25Å; R27-D54 IonicContact NH1-OD2 3.9Å; R27-D54 PolarHBondContact NH1-OD2 2.99Å; R27-D54 VanDerWaalsContact NH1-OD2 3.09Å
28	R	90.3	Very high	90.5	Very high	165 Å²	165	61.4 Å²	61.4	62%	0.623	32%	0.324	S	S	*	.	H	α-helix	trans	-60.7	-34.8	179.5	-169.8	-173.9	66.5	77	0.4	113.2	E26 K32	E26-R28 VanDerWaalsContact C-N 3.28Å; E26-R28 HydrophobicContact CG-CB 4.42Å; E26-R28 PolarHBondContact O-N 3.18Å; R28-K32 WeakPolarHBondContact O-CB 3.48Å; R28-K32 PolarHBondContact O-N 2.85Å
29	L	91	Very high	90.6	Very high	49 Å²	49	62.8 Å²	62.8	26%	0.257	33%	0.332	S	S	.	.	H	α-helix	trans	-77.9	-44	-178.7	-70.1	176.9	0	0	0	111.4	L7 E26 R27 K32 Y33	L7-L29 HydrophobicContact CD1-CB 4.24Å; E26-L29 HydrophobicContact CB-CB 4.23Å; E26-L29 HydrophobicContact CB-CD1 3.98Å; E26-L29 HydrophobicContact CB-CG 4.14Å; E26-L29 HydrophobicContact CG-CD1 4.42Å; E26-L29 HydrophobicContact CG-CG 4.25Å; E26-L29 PolarHBondContact O-N 3.4Å; R27-L29 VanDerWaalsContact C-N 3.28Å; R27-L29 PolarHBondContact O-N 3.48Å; L29-K32 PolarHBondContact O-N 3.37Å; L29-Y33 PolarHBondContact O-N 3.44Å
30	I	91.5	Very high	90.6	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-70.5	-39.3	179.8	-168.9	64.6	0	0	0	111.6	L7 V16 F25 E26 R27 K32 Y33 L34 P41 L52	L7-I30 HydrophobicContact CD1-CD1 4.44Å; V16-I30 HydrophobicContact CG2-CG2 3.54Å; F25-I30 HydrophobicContact CB-CB 3.78Å; F25-I30 HydrophobicContact CB-CG1 4.34Å; F25-I30 HydrophobicContact CB-CG2 4.04Å; F25-I30 HydrophobicContact CD1-CD1 4.33Å; F25-I30 HydrophobicContact CD2-CD1 4.17Å; F25-I30 HydrophobicContact CD2-CG1 4.27Å; F25-I30 HydrophobicContact CE2-CD1 4.41Å; F25-I30 HydrophobicContact CG-CB 4.17Å; F25-I30 HydrophobicContact CG-CD1 4.12Å; F25-I30 HydrophobicContact CG-CG1 4.25Å; E26-I30 PolarHBondContact O-N 2.66Å; R27-I30 WeakPolarHBondContact O-CG2 3.19Å; R27-I30 PolarHBondContact O-N 2.94Å; I30-K32 VanDerWaalsContact C-N 3.29Å; I30-K32 PolarHBondContact O-N 3.18Å; I30-Y33 PolarHBondContact O-N 2.84Å; I30-L34 HydrophobicContact CD1-CG 4.4Å; I30-L34 HydrophobicContact CG1-CD1 4.11Å; I30-L34 HydrophobicContact CG1-CG 4.21Å; I30-L34 WeakPolarHBondContact O-CB 3.28Å; I30-L34 VanDerWaalsContact O-CG 3.26Å; I30-L34 WeakPolarHBondContact O-CG 3.34Å; I30-L34 PolarHBondContact O-N 3.4Å; I30-P41 VanDerWaalsContact CD1-CD 3.44Å; I30-P41 HydrophobicContact CD1-CG 3.7Å; I30-L52 HydrophobicContact CG1-CD1 4.43Å; I30-L52 HydrophobicContact CG1-CD2 4.13Å; I30-L52 HydrophobicContact CG2-CD1 3.69Å; I30-L52 HydrophobicContact CG2-CD2 4.29Å
31	E	92.3	Very high	90.6	Very high	68 Å²	68	55.3 Å²	55.3	32%	0.318	30%	0.298	S	S	.	.	H	α-helix	trans	-60.6	-39.9	175.3	-76.1	178.6	175.6	0	0	111.6	R27 G35 V49 L52	R27-E31 HydrophobicContact CG-CG 4.2Å; R27-E31 WeakPolarHBondContact CG-OE1 3.48Å; R27-E31 IonicContact CZ-OE1 3.09Å; R27-E31 IonicContact NE-OE1 2.84Å; R27-E31 PolarHBondContact NE-OE1 3.27Å; R27-E31 IonicContact NH2-OE1 3.52Å; R27-E31 WeakPolarHBondContact O-CB 3.39Å; R27-E31 VanDerWaalsContact O-CG 3.32Å; R27-E31 WeakPolarHBondContact O-CG 3.38Å; R27-E31 PolarHBondContact O-N 2.88Å; E31-G35 PolarHBondContact O-N 3.16Å; E31-V49 HydrophobicContact CG-CG1 3.87Å; E31-L52 HydrophobicContact CG-CD1 4.47Å
32	K	91.9	Very high	90.6	Very high	127 Å²	127	58.2 Å²	58.2	55%	0.552	31%	0.311	S	S	*	.	H	α-helix	trans	-65.9	-44.3	175	-170.5	-179.5	176.8	-171.8	0	111.8	R28 L29 I30 G35 E36	R28-K32 WeakPolarHBondContact O-CB 3.48Å; R28-K32 PolarHBondContact O-N 2.85Å; L29-K32 PolarHBondContact O-N 3.37Å; I30-K32 VanDerWaalsContact C-N 3.29Å; I30-K32 PolarHBondContact O-N 3.18Å; K32-G35 PolarHBondContact O-N 3.36Å; K32-E36 WeakPolarHBondContact CE-OE1 3.36Å; K32-E36 PolarHBondContact O-N 3.05Å
33	Y	91	Very high	90.7	Very high	54 Å²	54	58.1 Å²	58.1	21%	0.212	30%	0.297	C	S	.	.	H	α-helix	trans	-63.2	-41.6	177.7	-174	-86.2	0	0	0	111.8	L29 I30 G35 E36 N37 T39 P41	L29-Y33 PolarHBondContact O-N 3.44Å; I30-Y33 PolarHBondContact O-N 2.84Å; Y33-G35 VanDerWaalsContact C-N 3.35Å; Y33-E36 PolarHBondContact O-N 3.47Å; Y33-N37 HydrophobicContact CD1-CB 4.26Å; Y33-N37 WeakPolarHBondContact CD2-ND2 3.36Å; Y33-N37 HydrophobicContact CE1-CB 3.81Å; Y33-N37 WeakPolarHBondContact CE2-ND2 3.46Å; Y33-N37 VanDerWaalsContact CZ-ND2 3.28Å; Y33-N37 PolarHBondContact O-N 2.97Å; Y33-N37 PolarHBondContact O-ND2 2.9Å; Y33-T39 WeakPolarHBondContact CD1-O 3.3Å; Y33-T39 WeakPolarHBondContact CE1-O 3.13Å; Y33-P41 HydrophobicContact CD1-CB 4.02Å; Y33-P41 HydrophobicContact CD1-CG 4.38Å; Y33-P41 HydrophobicContact CD2-CB 4.41Å; Y33-P41 HydrophobicContact CE1-CB 3.7Å; Y33-P41 HydrophobicContact CE1-CG 4.43Å; Y33-P41 HydrophobicContact CE2-CB 4.1Å; Y33-P41 HydrophobicContact CG-CB 4.37Å
34	L	90.8	Very high	90.5	Very high	12 Å²	12	59.5 Å²	59.5	6%	0.063	30%	0.304	C	S	.	.	H	α-helix	trans	-65.8	-37	176.4	-70.4	178.8	0	0	0	112.1	I30 E36 G38 T39 L47 V49 L52	I30-L34 HydrophobicContact CD1-CG 4.4Å; I30-L34 HydrophobicContact CG1-CD1 4.11Å; I30-L34 HydrophobicContact CG1-CG 4.21Å; I30-L34 WeakPolarHBondContact O-CB 3.28Å; I30-L34 VanDerWaalsContact O-CG 3.26Å; I30-L34 WeakPolarHBondContact O-CG 3.34Å; I30-L34 PolarHBondContact O-N 3.4Å; L34-E36 VanDerWaalsContact C-N 3.28Å; L34-E36 PolarHBondContact O-N 3.05Å; L34-G38 VanDerWaalsContact O-CA 3.28Å; L34-G38 WeakPolarHBondContact O-CA 3.25Å; L34-G38 PolarHBondContact O-N 2.75Å; L34-T39 VanDerWaalsContact CD2-O 3.27Å; L34-T39 WeakPolarHBondContact CD2-O 3.3Å; L34-L47 HydrophobicContact CD1-CD2 4.15Å; L34-L47 HydrophobicContact CD1-CG 4.19Å; L34-L47 HydrophobicContact CD2-CB 3.91Å; L34-L47 HydrophobicContact CD2-CD2 4.12Å; L34-L47 HydrophobicContact CD2-CG 4.13Å; L34-L47 WeakPolarHBondContact CD2-O 3.38Å; L34-V49 HydrophobicContact CB-CG2 4.13Å; L34-V49 HydrophobicContact CD1-CG2 4Å; L34-L52 HydrophobicContact CD1-CD1 4.07Å; L34-L52 HydrophobicContact CD1-CG 4.47Å
35	G	89.5	Confident	90.5	Very high	69 Å²	69	62 Å²	62	71%	0.711	32%	0.315	S	S	*	.	H	α-helix	trans	-63.6	-31	173.3	0	0	0	0	0	113.8	E31 K32 Y33	E31-G35 PolarHBondContact O-N 3.16Å; K32-G35 PolarHBondContact O-N 3.36Å; Y33-G35 VanDerWaalsContact C-N 3.35Å
36	E	91.8	Very high	90.4	Very high	134 Å²	134	66.8 Å²	66.8	63%	0.626	35%	0.346	S	S	*	.	H	α-helix	trans	-90	-39.4	-179.5	-70.3	175.3	-170.2	0	0	113.1	K32 Y33 L34	K32-E36 WeakPolarHBondContact CE-OE1 3.36Å; K32-E36 PolarHBondContact O-N 3.05Å; Y33-E36 PolarHBondContact O-N 3.47Å; L34-E36 VanDerWaalsContact C-N 3.28Å; L34-E36 PolarHBondContact O-N 3.05Å
37	N	91.1	Very high	90.4	Very high	86 Å²	86	66 Å²	66	46%	0.46	34%	0.343	S	S	.	.	H	α-helix	trans	-115.6	-23.9	-170.6	-60.5	-61	0	0	0	114.6	Y33 T39	Y33-N37 HydrophobicContact CD1-CB 4.26Å; Y33-N37 WeakPolarHBondContact CD2-ND2 3.36Å; Y33-N37 HydrophobicContact CE1-CB 3.81Å; Y33-N37 WeakPolarHBondContact CE2-ND2 3.46Å; Y33-N37 VanDerWaalsContact CZ-ND2 3.28Å; Y33-N37 PolarHBondContact O-N 2.97Å; Y33-N37 PolarHBondContact O-ND2 2.9Å; N37-T39 PolarHBondContact O-N 3.29Å
38	G	88.8	Confident	90.3	Very high	37 Å²	37	63.6 Å²	63.6	38%	0.381	34%	0.342	S	S	.	.	S	Bend	trans	65.7	10.5	-177.9	0	0	0	0	0	115.8	L34 L47	L34-G38 VanDerWaalsContact O-CA 3.28Å; L34-G38 WeakPolarHBondContact O-CA 3.25Å; L34-G38 PolarHBondContact O-N 2.75Å; G38-L47 PolarHBondContact O-N 2.82Å
39	T	92	Very high	90.2	Very high	30 Å²	30	58.4 Å²	58.4	18%	0.184	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-126.9	158.2	-179.7	57.2	0	0	0	0	111.7	Y33 L34 N37 Q44 Q45	Y33-T39 WeakPolarHBondContact CD1-O 3.3Å; Y33-T39 WeakPolarHBondContact CE1-O 3.13Å; L34-T39 VanDerWaalsContact CD2-O 3.27Å; L34-T39 WeakPolarHBondContact CD2-O 3.3Å; N37-T39 PolarHBondContact O-N 3.29Å; T39-Q44 PolarHBondContact OG1-OE1 2.9Å; T39-Q45 CarbonylContact C-O 3.54Å; T39-Q45 VanDerWaalsContact CA-O 3.25Å; T39-Q45 WeakPolarHBondContact CA-O 3.41Å
40	D	89.4	Confident	90.2	Very high	0 Å²	0	64 Å²	64	0%	0	35%	0.354	C	S	.	.			trans	-65.9	133.2	168.7	-179.5	-65.8	0	0	0	109.8	S18 S21 I42 D43 Q44 Q45 L47	S18-D40 WeakPolarHBondContact CB-OD2 3.38Å; S18-D40 PolarHBondContact OG-OD2 3.44Å; S21-D40 WeakPolarHBondContact CB-OD1 3.43Å; S21-D40 WeakPolarHBondContact CB-OD2 3.41Å; S21-D40 PolarHBondContact OG-OD1 2.82Å; S21-D40 PolarHBondContact OG-OD2 3.18Å; D40-I42 PolarHBondContact O-N 3.43Å; D40-I42 WeakPolarHBondContact OD1-CA 3.01Å; D40-I42 WeakPolarHBondContact OD1-CB 3.46Å; D40-I42 PolarHBondContact OD1-N 3.19Å; D40-D43 VanDerWaalsContact CB-OD1 3.25Å; D40-D43 WeakPolarHBondContact CB-OD1 3.23Å; D40-D43 PolarHBondContact OD1-N 2.86Å; D40-Q44 WeakPolarHBondContact O-CA 3.06Å; D40-Q44 PolarHBondContact O-N 2.79Å; D40-Q45 PolarHBondContact N-O 2.67Å; D40-L47 HydrophobicContact CB-CB 4.26Å; D40-L47 HydrophobicContact CB-CD2 4.13Å
41	P	88.2	Confident	90.1	Very high	20 Å²	20	67.6 Å²	67.6	13%	0.13	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-18.2	-174.5	25.6	-34.8	0	0	0	114.6	L7 F25 I30 Y33	L7-P41 HydrophobicContact CD1-CG 4.28Å; L7-P41 HydrophobicContact CD2-CB 3.92Å; L7-P41 HydrophobicContact CD2-CG 4.16Å; L7-P41 HydrophobicContact CG-CG 4.34Å; F25-P41 HydrophobicContact CD1-CG 4.39Å; F25-P41 HydrophobicContact CE1-CG 3.58Å; F25-P41 HydrophobicContact CZ-CG 3.69Å; I30-P41 VanDerWaalsContact CD1-CD 3.44Å; I30-P41 HydrophobicContact CD1-CG 3.7Å; Y33-P41 HydrophobicContact CD1-CB 4.02Å; Y33-P41 HydrophobicContact CD1-CG 4.38Å; Y33-P41 HydrophobicContact CD2-CB 4.41Å; Y33-P41 HydrophobicContact CE1-CB 3.7Å; Y33-P41 HydrophobicContact CE1-CG 4.43Å; Y33-P41 HydrophobicContact CE2-CB 4.1Å; Y33-P41 HydrophobicContact CG-CB 4.37Å
42	I	90.1	Very high	90	Very high	86 Å²	86	65.4 Å²	65.4	44%	0.441	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-54.1	-175.1	-56	-61.8	0	0	0	111.1	H23 F25 D40	H23-I42 HydrophobicContact CB-CG1 4.45Å; F25-I42 HydrophobicContact CE1-CG1 4.3Å; F25-I42 HydrophobicContact CZ-CG1 3.86Å; D40-I42 PolarHBondContact O-N 3.43Å; D40-I42 WeakPolarHBondContact OD1-CA 3.01Å; D40-I42 WeakPolarHBondContact OD1-CB 3.46Å; D40-I42 PolarHBondContact OD1-N 3.19Å
43	D	88.9	Confident	90	Very high	51 Å²	51	64.1 Å²	64.1	27%	0.273	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-5.8	-175.1	71.4	13.6	0	0	0	114.2	R20 S21 D40 Q45	R20-D43 VanDerWaalsContact CB-OD2 3.28Å; R20-D43 WeakPolarHBondContact CB-OD2 3.41Å; S21-D43 PolarHBondContact N-OD2 3.34Å; D40-D43 VanDerWaalsContact CB-OD1 3.25Å; D40-D43 WeakPolarHBondContact CB-OD1 3.23Å; D40-D43 PolarHBondContact OD1-N 2.86Å; D43-Q45 HydrophobicContact CB-CG 4.43Å; D43-Q45 PolarHBondContact O-N 2.98Å; D43-Q45 VanDerWaalsContact OD1-CB 3.28Å; D43-Q45 WeakPolarHBondContact OD1-CB 3.27Å; D43-Q45 WeakPolarHBondContact OD1-CG 3.28Å; D43-Q45 PolarHBondContact OD1-N 3.44Å
44	Q	86.9	Confident	89.9	Confident	110 Å²	110	66.1 Å²	66.1	51%	0.514	37%	0.373	S	S	.	.			trans	59.8	17.6	-178.8	-60.7	-71.6	-8.1	0	0	114.5	T39 D40	T39-Q44 PolarHBondContact OG1-OE1 2.9Å; D40-Q44 WeakPolarHBondContact O-CA 3.06Å; D40-Q44 PolarHBondContact O-N 2.79Å
45	Q	90.6	Very high	89.7	Confident	89 Å²	89	68.1 Å²	68.1	42%	0.416	38%	0.383	S	S	.	.			trans	-76	148.3	172.9	-64.9	-174.6	19.7	0	0	110.6	T39 D40 D43 L47	T39-Q45 CarbonylContact C-O 3.54Å; T39-Q45 VanDerWaalsContact CA-O 3.25Å; T39-Q45 WeakPolarHBondContact CA-O 3.41Å; D40-Q45 PolarHBondContact N-O 2.67Å; D43-Q45 HydrophobicContact CB-CG 4.43Å; D43-Q45 PolarHBondContact O-N 2.98Å; D43-Q45 VanDerWaalsContact OD1-CB 3.28Å; D43-Q45 WeakPolarHBondContact OD1-CB 3.27Å; D43-Q45 WeakPolarHBondContact OD1-CG 3.28Å; D43-Q45 PolarHBondContact OD1-N 3.44Å; Q45-L47 PolarHBondContact O-N 3.01Å
46	P	90.7	Very high	89.3	Confident	99 Å²	99	74.9 Å²	74.9	64%	0.643	39%	0.393	S	S	*	.	B	Isolated β-bridge	trans	-60.5	127.5	174.4	25.1	-33.1	0	0	0	110.1
47	L	90	Very high	88.4	Confident	9 Å²	9	71 Å²	71	5%	0.047	38%	0.379	C	S	.	.			trans	-134.7	130.1	-178.5	178	67.7	0	0	0	108.5	S18 P19 R20 L34 G38 D40 Q45 E51 L52	S18-L47 WeakPolarHBondContact OG-CD2 3.4Å; P19-L47 HydrophobicContact CG-CD1 4.28Å; R20-L47 HydrophobicContact CG-CD1 3.95Å; L34-L47 HydrophobicContact CD1-CD2 4.15Å; L34-L47 HydrophobicContact CD1-CG 4.19Å; L34-L47 HydrophobicContact CD2-CB 3.91Å; L34-L47 HydrophobicContact CD2-CD2 4.12Å; L34-L47 HydrophobicContact CD2-CG 4.13Å; L34-L47 WeakPolarHBondContact CD2-O 3.38Å; G38-L47 PolarHBondContact O-N 2.82Å; D40-L47 HydrophobicContact CB-CB 4.26Å; D40-L47 HydrophobicContact CB-CD2 4.13Å; Q45-L47 PolarHBondContact O-N 3.01Å; L47-E51 HydrophobicContact CD1-CB 3.75Å; L47-L52 HydrophobicContact CD2-CD2 4.06Å
48	A	89.7	Confident	87.5	Confident	41 Å²	41	72.7 Å²	72.7	34%	0.339	39%	0.394	S	S	.	.			trans	-97.2	154.8	174.9	0	0	0	0	0	110.4	E50 E51	A48-E50 VanDerWaalsContact CB-OE2 3.23Å; A48-E50 WeakPolarHBondContact CB-OE2 3.48Å; A48-E50 PolarHBondContact O-N 2.78Å; A48-E51 HydrophobicContact CB-CG 4.37Å; A48-E51 PolarHBondContact O-N 2.86Å; A48-E51 VanDerWaalsContact O-N 3.11Å
49	V	89	Confident	86.5	Confident	56 Å²	56	75.5 Å²	75.5	34%	0.339	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-62.5	-30.8	-178.2	175.1	0	0	0	0	111.1	E31 L34 E51 L52	E31-V49 HydrophobicContact CG-CG1 3.87Å; L34-V49 HydrophobicContact CB-CG2 4.13Å; L34-V49 HydrophobicContact CD1-CG2 4Å; V49-E51 VanDerWaalsContact C-N 3.28Å; V49-E51 PolarHBondContact O-N 3.32Å; V49-L52 HydrophobicContact CG1-CD1 4.48Å; V49-L52 WeakPolarHBondContact O-CB 3.2Å; V49-L52 PolarHBondContact O-N 2.89Å
50	E	89.2	Confident	85.2	Confident	166 Å²	166	78.6 Å²	78.6	78%	0.776	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-73.1	-18.6	179.8	-52.8	80.5	-175.9	0	0	113.3	A48 L52	A48-E50 VanDerWaalsContact CB-OE2 3.23Å; A48-E50 WeakPolarHBondContact CB-OE2 3.48Å; A48-E50 PolarHBondContact O-N 2.78Å; E50-L52 VanDerWaalsContact C-N 3.28Å
51	E	90	Very high	83.9	Confident	75 Å²	75	84.7 Å²	84.7	35%	0.35	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-80.4	-8.6	177.4	-67.1	-169.4	176.5	0	0	112.7	P19 R20 L47 A48 V49	P19-E51 VanDerWaalsContact CD-O 3.27Å; P19-E51 WeakPolarHBondContact CD-O 3.22Å; P19-E51 HydrophobicContact CG-CB 4.18Å; P19-E51 WeakPolarHBondContact CG-O 3.41Å; R20-E51 IonicContact CZ-OE2 3.48Å; R20-E51 IonicContact NE-OE2 3.71Å; R20-E51 PolarHBondContact NE-OE2 2.9Å; R20-E51 IonicContact NH2-OE1 2.92Å; R20-E51 PolarHBondContact NH2-OE1 2.92Å; R20-E51 IonicContact NH2-OE2 2.65Å; R20-E51 PolarHBondContact NH2-OE2 3.36Å; L47-E51 HydrophobicContact CD1-CB 3.75Å; A48-E51 HydrophobicContact CB-CG 4.37Å; A48-E51 PolarHBondContact O-N 2.86Å; A48-E51 VanDerWaalsContact O-N 3.11Å; V49-E51 VanDerWaalsContact C-N 3.28Å; V49-E51 PolarHBondContact O-N 3.32Å
52	L	90.7	Very high	82.9	Confident	22 Å²	22	91.7 Å²	91.7	12%	0.115	49%	0.486	C	S	.	.	P	Polyproline II helix	trans	-71.1	134.3	-179.7	-67.4	171.3	0	0	0	111.8	V16 I30 E31 L34 L47 V49 E50	V16-L52 HydrophobicContact CB-CB 4.41Å; V16-L52 HydrophobicContact CG2-CD1 4.5Å; V16-L52 HydrophobicContact CG2-CD2 4.41Å; I30-L52 HydrophobicContact CG1-CD1 4.43Å; I30-L52 HydrophobicContact CG1-CD2 4.13Å; I30-L52 HydrophobicContact CG2-CD1 3.69Å; I30-L52 HydrophobicContact CG2-CD2 4.29Å; E31-L52 HydrophobicContact CG-CD1 4.47Å; L34-L52 HydrophobicContact CD1-CD1 4.07Å; L34-L52 HydrophobicContact CD1-CG 4.47Å; L47-L52 HydrophobicContact CD2-CD2 4.06Å; V49-L52 HydrophobicContact CG1-CD1 4.48Å; V49-L52 WeakPolarHBondContact O-CB 3.2Å; V49-L52 PolarHBondContact O-N 2.89Å; E50-L52 VanDerWaalsContact C-N 3.28Å
53	I	91	Very high	81.5	Confident	101 Å²	101	92.5 Å²	92.5	52%	0.518	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	116.6	-179.1	-57.1	175.4	0	0	0	109.7	V16 V17	V16-I53 CarbonylContact C-O 3.52Å; V16-I53 VanDerWaalsContact CA-O 3.29Å; V16-I53 WeakPolarHBondContact CA-O 3.28Å; V17-I53 PolarHBondContact N-O 3.47Å; V17-I53 PolarHBondContact O-N 2.88Å
54	D	90.5	Very high	80.3	Confident	96 Å²	96	96.6 Å²	96.6	51%	0.513	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	128.8	175.4	-69.1	-43.9	0	0	0	111.5	V16 R27	V16-D54 VanDerWaalsContact CG1-OD1 3.23Å; V16-D54 WeakPolarHBondContact CG1-OD1 3.46Å; R27-D54 IonicContact CZ-OD1 3.79Å; R27-D54 IonicContact NH1-OD1 3.05Å; R27-D54 PolarHBondContact NH1-OD1 3.25Å; R27-D54 IonicContact NH1-OD2 3.9Å; R27-D54 PolarHBondContact NH1-OD2 2.99Å; R27-D54 VanDerWaalsContact NH1-OD2 3.09Å
55	I	85.8	Confident	79.4	Confident	53 Å²	53	95 Å²	95	27%	0.272	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-95.3	123.7	170	-58.9	177.5	0	0	0	109.2	L3 P15 V17 I24 T57	L3-I55 HydrophobicContact CD1-CG2 4.13Å; L3-I55 HydrophobicContact CD2-CD1 4.45Å; P15-I55 HydrophobicContact CB-CB 4.09Å; P15-I55 HydrophobicContact CB-CD1 4.44Å; P15-I55 HydrophobicContact CG-CB 4.12Å; P15-I55 PolarHBondContact O-N 3.44Å; V17-I55 HydrophobicContact CG2-CD1 3.37Å; V17-I55 HydrophobicContact CG2-CG1 3.99Å; I24-I55 HydrophobicContact CG1-CD1 4.12Å; I55-T57 HydrophobicContact CG2-CG2 3.9Å; I55-T57 PolarHBondContact O-N 3.02Å
56	K	80.5	Confident	78.1	Confident	212 Å²	212	96.3 Å²	96.3	92%	0.922	53%	0.527	S	S	*	.			trans	-72.1	110.9	170.6	-66	-173.5	179.2	-177.7	0	110.3
57	T	73.7	Confident	76.9	Confident	53 Å²	53	96.1 Å²	96.1	33%	0.325	53%	0.529	S	S	.	.			trans	-122.8	153.6	173.6	50.9	0	0	0	0	110.8	L3 P15 I55	L3-T57 HydrophobicContact CD1-CG2 3.34Å; P15-T57 HydrophobicContact CG-CG2 3.57Å; P15-T57 VanDerWaalsContact CG-OG1 3.28Å; P15-T57 WeakPolarHBondContact CG-OG1 3.35Å; I55-T57 HydrophobicContact CG2-CG2 3.9Å; I55-T57 PolarHBondContact O-N 3.02Å
58	P	72.8	Confident	75.5	Confident	120 Å²	120	96.3 Å²	96.3	78%	0.779	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-62.7	143.8	168.8	27.1	-33.2	0	0	0	110.2	F60	P58-F60 PolarHBondContact O-N 2.89Å
59	A	66.5	Low	74.5	Confident	97 Å²	97	99.2 Å²	99.2	80%	0.802	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-56.6	125.5	-177.8	0	0	0	0	0	111.7
60	F	65.3	Low	74.2	Confident	95 Å²	95	99.4 Å²	99.4	42%	0.417	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-76.3	124.7	177.8	-178.5	-104.6	0	0	0	110.6	V11 P58 R62	V11-F60 HydrophobicContact CB-CD2 4.49Å; V11-F60 HydrophobicContact CB-CE2 4.24Å; V11-F60 HydrophobicContact CG1-CD2 4Å; V11-F60 HydrophobicContact CG1-CE2 4.2Å; P58-F60 PolarHBondContact O-N 2.89Å; F60-R62 HydrophobicContact CE1-CG 4.44Å
61	V	62.7	Low	73.8	Confident	127 Å²	127	97.7 Å²	97.7	77%	0.77	54%	0.544	S	S	*	.			trans	-98	110.9	175.8	-176.3	0	0	0	0	108.8
62	R	66.5	Low	73.7	Confident	168 Å²	168	98.7 Å²	98.7	63%	0.634	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-64.4	129.8	-180	-149.4	-179.6	-63.9	-131.5	6	110.2	E13 F60 K64	E13-R62 IonicContact OE1-CZ 3.9Å; E13-R62 IonicContact OE1-NE 3.62Å; E13-R62 IonicContact OE1-NH2 3.6Å; E13-R62 PolarHBondContact OE1-NH2 3.44Å; E13-R62 IonicContact OE2-NH2 3.23Å; F60-R62 HydrophobicContact CE1-CG 4.44Å; R62-K64 PolarHBondContact O-N 3.3Å
63	P	61.6	Low	73.3	Confident	103 Å²	103	98.7 Å²	98.7	67%	0.669	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-62.7	137.3	171.3	23.3	-29.8	0	0	0	109.9
64	K	62.4	Low	73	Confident	136 Å²	136	96.5 Å²	96.5	59%	0.591	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-61.2	142	-178.4	-68.2	-175.7	178	-176.4	0	110.3	R62 A68	R62-K64 PolarHBondContact O-N 3.3Å; K64-A68 HydrophobicContact CB-CB 4.38Å
65	P	68.7	Low	72.8	Confident	78 Å²	78	97.2 Å²	97.2	51%	0.506	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-58.5	149.4	177.7	23.3	-32.3	0	0	0	110.7	S67 A68	P65-S67 PolarHBondContact O-N 2.93Å; P65-S67 VanDerWaalsContact O-N 3.08Å; P65-A68 HydrophobicContact CG-CB 4.27Å; P65-A68 WeakPolarHBondContact O-CA 3.3Å; P65-A68 WeakPolarHBondContact O-CB 3.41Å; P65-A68 PolarHBondContact O-N 3.07Å
66	P	63.1	Low	72.9	Confident	115 Å²	115	101.2 Å²	101.2	75%	0.747	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-61.9	-22.7	-174.5	18.4	-28.7	0	0	0	113.8	A68 T69	P66-A68 PolarHBondContact O-N 3.4Å; P66-T69 VanDerWaalsContact C-OG1 3.24Å; P66-T69 WeakPolarHBondContact CA-OG1 3.36Å; P66-T69 PolarHBondContact O-N 3.39Å; P66-T69 PolarHBondContact O-OG1 3.47Å
67	S	65.7	Low	73.1	Confident	96 Å²	96	94 Å²	94	67%	0.671	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-63.3	-22.8	171.1	53.7	0	0	0	0	113.2	P65 A73	P65-S67 PolarHBondContact O-N 2.93Å; P65-S67 VanDerWaalsContact O-N 3.08Å; S67-A73 WeakPolarHBondContact O-CB 3.45Å
68	A	60.5	Low	73.7	Confident	12 Å²	12	96.2 Å²	96.2	10%	0.099	55%	0.55	C	S	.	*	G	3₁₀ helix	trans	-99.5	18.9	177.9	0	0	0	0	0	113.3	K64 P65 P66 I74	K64-A68 HydrophobicContact CB-CB 4.38Å; P65-A68 HydrophobicContact CG-CB 4.27Å; P65-A68 WeakPolarHBondContact O-CA 3.3Å; P65-A68 WeakPolarHBondContact O-CB 3.41Å; P65-A68 PolarHBondContact O-N 3.07Å; P66-A68 PolarHBondContact O-N 3.4Å; A68-I74 WeakPolarHBondContact O-CG1 3.41Å
69	T	68.9	Low	74.6	Confident	102 Å²	102	95 Å²	95	63%	0.626	53%	0.534	S	S	*	.			trans	-92.4	-17	178.4	-17	0	0	0	0	113.5	P66	P66-T69 VanDerWaalsContact C-OG1 3.24Å; P66-T69 WeakPolarHBondContact CA-OG1 3.36Å; P66-T69 PolarHBondContact O-N 3.39Å; P66-T69 PolarHBondContact O-OG1 3.47Å
70	S	82.7	Confident	75.8	Confident	60 Å²	60	94.5 Å²	94.5	42%	0.42	52%	0.518	S	S	.	.	S	Bend	trans	-78.3	142.4	176.3	75.8	0	0	0	0	110.5	P72 A73 I74	S70-P72 VanDerWaalsContact C-CD 3.5Å; S70-P72 VanDerWaalsContact C-N 3.3Å; S70-A73 PolarHBondContact O-N 2.85Å; S70-A73 WeakPolarHBondContact OG-CB 3.36Å; S70-A73 PolarHBondContact OG-N 2.81Å; S70-I74 WeakPolarHBondContact O-CG1 3.22Å; S70-I74 PolarHBondContact O-N 3.13Å
71	I	80	Confident	77.1	Confident	131 Å²	131	95.7 Å²	95.7	67%	0.672	53%	0.525	S	S	*	.	H	α-helix	trans	-51.7	-44.8	177	-64	170.5	0	0	0	111.6	A73 I74 L75	I71-A73 PolarHBondContact O-N 2.86Å; I71-I74 PolarHBondContact O-N 2.92Å; I71-L75 HydrophobicContact CG2-CD1 4.03Å; I71-L75 PolarHBondContact O-N 2.71Å
72	P	88.5	Confident	78.6	Confident	95 Å²	95	96.4 Å²	96.4	62%	0.617	51%	0.514	S	S	*	.	H	α-helix	trans	-63	-38.7	175.9	-24.2	35.8	0	0	0	113.9	S70 K76	S70-P72 VanDerWaalsContact C-CD 3.5Å; S70-P72 VanDerWaalsContact C-N 3.3Å; P72-K76 WeakPolarHBondContact O-CB 3.3Å; P72-K76 PolarHBondContact O-N 3.08Å
73	A	82.8	Confident	80.1	Confident	23 Å²	23	91.3 Å²	91.3	19%	0.19	50%	0.499	C	S	.	.	H	α-helix	trans	-67.6	-40.8	177.6	0	0	0	0	0	111.7	S67 S70 I71 K76 T77	S67-A73 WeakPolarHBondContact O-CB 3.45Å; S70-A73 PolarHBondContact O-N 2.85Å; S70-A73 WeakPolarHBondContact OG-CB 3.36Å; S70-A73 PolarHBondContact OG-N 2.81Å; I71-A73 PolarHBondContact O-N 2.86Å; A73-K76 PolarHBondContact O-N 3.47Å; A73-T77 PolarHBondContact O-N 2.8Å; A73-T77 PolarHBondContact O-OG1 2.91Å
74	I	83.6	Confident	81.6	Confident	55 Å²	55	88.7 Å²	88.7	28%	0.282	49%	0.486	S	S	.	.	H	α-helix	trans	-61.7	-46.8	176.3	-65.6	167.3	0	0	0	110.6	A68 S70 I71 K76 T77 L78	A68-I74 WeakPolarHBondContact O-CG1 3.41Å; S70-I74 WeakPolarHBondContact O-CG1 3.22Å; S70-I74 PolarHBondContact O-N 3.13Å; I71-I74 PolarHBondContact O-N 2.92Å; I74-K76 VanDerWaalsContact C-N 3.31Å; I74-K76 PolarHBondContact O-N 3.08Å; I74-T77 PolarHBondContact O-N 3.18Å; I74-L78 HydrophobicContact CG2-CD1 3.92Å; I74-L78 HydrophobicContact CG2-CG 4.35Å; I74-L78 WeakPolarHBondContact O-CB 3.49Å; I74-L78 VanDerWaalsContact O-CG 3.31Å; I74-L78 WeakPolarHBondContact O-CG 3.31Å; I74-L78 PolarHBondContact O-N 3.15Å
75	L	86	Confident	83.1	Confident	110 Å²	110	85.9 Å²	85.9	58%	0.576	48%	0.48	S	S	*	.	H	α-helix	trans	-59.3	-43.6	177.1	-83.2	162.8	0	0	0	111.5	I71 L78 Q79	I71-L75 HydrophobicContact CG2-CD1 4.03Å; I71-L75 PolarHBondContact O-N 2.71Å; L75-L78 PolarHBondContact O-N 3.45Å; L75-Q79 WeakPolarHBondContact O-CB 3.5Å; L75-Q79 PolarHBondContact O-N 3.22Å
76	K	87.8	Confident	84.3	Confident	137 Å²	137	86 Å²	86	60%	0.596	48%	0.475	S	S	*	.	H	α-helix	trans	-63.2	-46.8	176.7	-173.1	177.4	178.1	-175.6	0	111.9	P72 A73 I74 L78 Q79 D80	P72-K76 WeakPolarHBondContact O-CB 3.3Å; P72-K76 PolarHBondContact O-N 3.08Å; A73-K76 PolarHBondContact O-N 3.47Å; I74-K76 VanDerWaalsContact C-N 3.31Å; I74-K76 PolarHBondContact O-N 3.08Å; K76-L78 VanDerWaalsContact C-N 3.33Å; K76-L78 PolarHBondContact O-N 3.22Å; K76-Q79 PolarHBondContact O-N 2.89Å; K76-D80 WeakPolarHBondContact O-CB 3.43Å; K76-D80 VanDerWaalsContact O-CG 3.22Å; K76-D80 PolarHBondContact O-N 2.85Å
77	T	85	Confident	85.8	Confident	60 Å²	60	86 Å²	86	37%	0.368	47%	0.468	S	S	.	.	H	α-helix	trans	-61.1	-42.1	177	-52.7	0	0	0	0	111.6	A73 I74 Q79 D80 E81	A73-T77 PolarHBondContact O-N 2.8Å; A73-T77 PolarHBondContact O-OG1 2.91Å; I74-T77 PolarHBondContact O-N 3.18Å; T77-Q79 VanDerWaalsContact C-N 3.32Å; T77-Q79 PolarHBondContact O-N 3.48Å; T77-D80 PolarHBondContact O-N 2.76Å; T77-E81 HydrophobicContact CG2-CG 4.35Å; T77-E81 WeakPolarHBondContact O-CB 3.3Å; T77-E81 WeakPolarHBondContact O-CG 3.43Å; T77-E81 PolarHBondContact O-N 2.8Å
78	L	87.6	Confident	87.2	Confident	100 Å²	100	88.2 Å²	88.2	52%	0.524	47%	0.468	S	S	.	.	H	α-helix	trans	-64	-38.4	176.8	-71.7	173.1	0	0	0	112.2	I74 L75 K76 W82	I74-L78 HydrophobicContact CG2-CD1 3.92Å; I74-L78 HydrophobicContact CG2-CG 4.35Å; I74-L78 WeakPolarHBondContact O-CB 3.49Å; I74-L78 VanDerWaalsContact O-CG 3.31Å; I74-L78 WeakPolarHBondContact O-CG 3.31Å; I74-L78 PolarHBondContact O-N 3.15Å; L75-L78 PolarHBondContact O-N 3.45Å; K76-L78 VanDerWaalsContact C-N 3.33Å; K76-L78 PolarHBondContact O-N 3.22Å; L78-W82 VanDerWaalsContact O-CB 3.26Å; L78-W82 WeakPolarHBondContact O-CB 3.32Å; L78-W82 PolarHBondContact O-N 2.88Å
79	Q	91.8	Very high	88.8	Confident	96 Å²	96	89.6 Å²	89.6	45%	0.449	48%	0.477	S	S	.	.	H	α-helix	trans	-65.7	-47.5	175.3	-175	61.1	40.8	0	0	111.3	L75 K76 T77 E81 W82 D83	L75-Q79 WeakPolarHBondContact O-CB 3.5Å; L75-Q79 PolarHBondContact O-N 3.22Å; K76-Q79 PolarHBondContact O-N 2.89Å; T77-Q79 VanDerWaalsContact C-N 3.32Å; T77-Q79 PolarHBondContact O-N 3.48Å; Q79-E81 VanDerWaalsContact C-N 3.35Å; Q79-E81 PolarHBondContact O-N 2.99Å; Q79-W82 PolarHBondContact O-N 3.3Å; Q79-D83 PolarHBondContact NE2-OD1 3.17Å; Q79-D83 PolarHBondContact NE2-OD2 3Å; Q79-D83 WeakPolarHBondContact O-CB 3.44Å; Q79-D83 PolarHBondContact O-N 3.4Å
80	D	91.2	Very high	90.1	Very high	86 Å²	86	90.8 Å²	90.8	46%	0.46	47%	0.474	S	S	.	.	H	α-helix	trans	-61.5	-42	179.5	-66.7	-23.1	0	0	0	111.3	K76 T77 A84	K76-D80 WeakPolarHBondContact O-CB 3.43Å; K76-D80 VanDerWaalsContact O-CG 3.22Å; K76-D80 PolarHBondContact O-N 2.85Å; T77-D80 PolarHBondContact O-N 2.76Å; D80-A84 WeakPolarHBondContact O-CB 3.45Å; D80-A84 PolarHBondContact O-N 3.42Å
81	E	92.4	Very high	90.7	Very high	120 Å²	120	90.6 Å²	90.6	56%	0.561	47%	0.47	S	S	*	.	H	α-helix	trans	-65.6	-42.7	175	-70.2	-68.3	162.8	0	0	111.7	T77 Q79 A84 V85	T77-E81 HydrophobicContact CG2-CG 4.35Å; T77-E81 WeakPolarHBondContact O-CB 3.3Å; T77-E81 WeakPolarHBondContact O-CG 3.43Å; T77-E81 PolarHBondContact O-N 2.8Å; Q79-E81 VanDerWaalsContact C-N 3.35Å; Q79-E81 PolarHBondContact O-N 2.99Å; E81-A84 PolarHBondContact O-N 2.84Å; E81-V85 WeakPolarHBondContact O-CB 3.49Å; E81-V85 VanDerWaalsContact O-CG2 3.26Å; E81-V85 WeakPolarHBondContact O-CG2 3.25Å; E81-V85 PolarHBondContact O-N 3.39Å
82	W	94.8	Very high	91.4	Very high	142 Å²	142	89.5 Å²	89.5	54%	0.538	47%	0.465	S	S	.	.	H	α-helix	trans	-63.2	-46.6	176.8	-176	89.9	0	0	0	111.1	L78 Q79 A84 V85 M86	L78-W82 VanDerWaalsContact O-CB 3.26Å; L78-W82 WeakPolarHBondContact O-CB 3.32Å; L78-W82 PolarHBondContact O-N 2.88Å; Q79-W82 PolarHBondContact O-N 3.3Å; W82-A84 VanDerWaalsContact C-N 3.34Å; W82-A84 PolarHBondContact O-N 2.95Å; W82-V85 PolarHBondContact O-N 2.85Å; W82-M86 HydrophobicContact CD2-CG 3.82Å; W82-M86 HydrophobicContact CE3-CG 4.01Å; W82-M86 HydrophobicContact CG-CG 4.46Å; W82-M86 HydrophobicContact CH2-CG 3.9Å; W82-M86 HydrophobicContact CZ2-CE 4.42Å; W82-M86 HydrophobicContact CZ2-CG 3.7Å; W82-M86 HydrophobicContact CZ2-SD 4.17Å; W82-M86 HydrophobicContact CZ3-CG 4.05Å; W82-M86 WeakPolarHBondContact O-CB 3.47Å; W82-M86 VanDerWaalsContact O-CG 3.22Å; W82-M86 WeakPolarHBondContact O-CG 3.25Å; W82-M86 PolarHBondContact O-N 2.97Å
83	D	96.3	Very high	91.8	Very high	61 Å²	61	93.7 Å²	93.7	33%	0.326	47%	0.468	S	S	.	.	H	α-helix	trans	-61.2	-42.2	177.3	-73.8	-33.2	0	0	0	111.2	Q79 M86 L87	Q79-D83 PolarHBondContact NE2-OD1 3.17Å; Q79-D83 PolarHBondContact NE2-OD2 3Å; Q79-D83 WeakPolarHBondContact O-CB 3.44Å; Q79-D83 PolarHBondContact O-N 3.4Å; D83-M86 PolarHBondContact O-N 3.36Å; D83-L87 WeakPolarHBondContact O-CB 3.46Å; D83-L87 VanDerWaalsContact O-CG 3.29Å; D83-L87 WeakPolarHBondContact O-CG 3.36Å; D83-L87 PolarHBondContact O-N 2.67Å
84	A	93.7	Very high	92.5	Very high	47 Å²	47	97.8 Å²	97.8	39%	0.388	48%	0.484	S	S	.	.	H	α-helix	trans	-62.9	-45.4	176.1	0	0	0	0	0	112.6	D80 E81 W82 M86 L87 Q88	D80-A84 WeakPolarHBondContact O-CB 3.45Å; D80-A84 PolarHBondContact O-N 3.42Å; E81-A84 PolarHBondContact O-N 2.84Å; W82-A84 VanDerWaalsContact C-N 3.34Å; W82-A84 PolarHBondContact O-N 2.95Å; A84-M86 VanDerWaalsContact C-N 3.34Å; A84-L87 PolarHBondContact O-N 2.77Å; A84-Q88 WeakPolarHBondContact O-CB 3.46Å; A84-Q88 PolarHBondContact O-N 3.24Å
85	V	94.2	Very high	93.1	Very high	77 Å²	77	101 Å²	101	47%	0.467	50%	0.497	S	S	.	.	H	α-helix	trans	-64.7	-39.5	177.1	170.1	0	0	0	0	111.1	E81 W82 S89	E81-V85 WeakPolarHBondContact O-CB 3.49Å; E81-V85 VanDerWaalsContact O-CG2 3.26Å; E81-V85 WeakPolarHBondContact O-CG2 3.25Å; E81-V85 PolarHBondContact O-N 3.39Å; W82-V85 PolarHBondContact O-N 2.85Å; V85-S89 VanDerWaalsContact O-CB 3.25Å; V85-S89 WeakPolarHBondContact O-CB 3.47Å; V85-S89 PolarHBondContact O-N 3.19Å; V85-S89 PolarHBondContact O-OG 2.76Å
86	M	94.2	Very high	93.6	Very high	81 Å²	81	99.6 Å²	99.6	40%	0.399	49%	0.49	S	S	.	.	H	α-helix	trans	-67.8	-41.2	177.7	-70.5	-57.6	134.6	0	0	112	W82 D83 A84 S89 F90	W82-M86 HydrophobicContact CD2-CG 3.82Å; W82-M86 HydrophobicContact CE3-CG 4.01Å; W82-M86 HydrophobicContact CG-CG 4.46Å; W82-M86 HydrophobicContact CH2-CG 3.9Å; W82-M86 HydrophobicContact CZ2-CE 4.42Å; W82-M86 HydrophobicContact CZ2-CG 3.7Å; W82-M86 HydrophobicContact CZ2-SD 4.17Å; W82-M86 HydrophobicContact CZ3-CG 4.05Å; W82-M86 WeakPolarHBondContact O-CB 3.47Å; W82-M86 VanDerWaalsContact O-CG 3.22Å; W82-M86 WeakPolarHBondContact O-CG 3.25Å; W82-M86 PolarHBondContact O-N 2.97Å; D83-M86 PolarHBondContact O-N 3.36Å; A84-M86 VanDerWaalsContact C-N 3.34Å; M86-S89 PolarHBondContact O-N 3.45Å; M86-F90 WeakPolarHBondContact O-CB 3.24Å; M86-F90 PolarHBondContact O-N 3.31Å
87	L	94.6	Very high	93.9	Very high	116 Å²	116	99.8 Å²	99.8	61%	0.607	49%	0.493	S	S	*	.	H	α-helix	trans	-65.6	-43.7	175.4	-74.5	171.8	0	0	0	112.4	D83 A84 F90 T91	D83-L87 WeakPolarHBondContact O-CB 3.46Å; D83-L87 VanDerWaalsContact O-CG 3.29Å; D83-L87 WeakPolarHBondContact O-CG 3.36Å; D83-L87 PolarHBondContact O-N 2.67Å; A84-L87 PolarHBondContact O-N 2.77Å; L87-F90 PolarHBondContact O-N 2.85Å; L87-T91 WeakPolarHBondContact O-CB 3.27Å; L87-T91 PolarHBondContact O-N 3.36Å; L87-T91 PolarHBondContact O-OG1 3.35Å
88	Q	94	Very high	94.4	Very high	141 Å²	141	100.1 Å²	100.1	66%	0.659	50%	0.495	S	S	*	.	H	α-helix	trans	-59.4	-47.5	172.9	-85.4	-75.1	-12.9	0	0	111.1	A84 F90 T91 L92	A84-Q88 WeakPolarHBondContact O-CB 3.46Å; A84-Q88 PolarHBondContact O-N 3.24Å; Q88-F90 VanDerWaalsContact C-N 3.34Å; Q88-F90 PolarHBondContact O-N 2.92Å; Q88-T91 PolarHBondContact O-N 3.05Å; Q88-L92 WeakPolarHBondContact O-CB 3.42Å; Q88-L92 PolarHBondContact O-N 2.9Å
89	S	94.8	Very high	94.8	Very high	42 Å²	42	97.8 Å²	97.8	29%	0.294	49%	0.49	S	S	.	.	H	α-helix	trans	-61.4	-41	178.4	-63.3	0	0	0	0	112.4	V85 M86 R93	V85-S89 VanDerWaalsContact O-CB 3.25Å; V85-S89 WeakPolarHBondContact O-CB 3.47Å; V85-S89 PolarHBondContact O-N 3.19Å; V85-S89 PolarHBondContact O-OG 2.76Å; M86-S89 PolarHBondContact O-N 3.45Å; S89-R93 WeakPolarHBondContact O-CB 3.13Å; S89-R93 VanDerWaalsContact O-CG 3.28Å; S89-R93 WeakPolarHBondContact O-CG 3.42Å; S89-R93 PolarHBondContact O-N 3Å
90	F	96.1	Very high	95	Very high	126 Å²	126	101.6 Å²	101.6	55%	0.553	50%	0.501	S	S	*	.	H	α-helix	trans	-65.2	-47	175.6	178.8	-98.3	0	0	0	111.7	M86 L87 Q88 L92 R93 Q94	M86-F90 WeakPolarHBondContact O-CB 3.24Å; M86-F90 PolarHBondContact O-N 3.31Å; L87-F90 PolarHBondContact O-N 2.85Å; Q88-F90 VanDerWaalsContact C-N 3.34Å; Q88-F90 PolarHBondContact O-N 2.92Å; F90-L92 VanDerWaalsContact C-N 3.35Å; F90-L92 PolarHBondContact O-N 3.31Å; F90-R93 PolarHBondContact O-N 3.36Å; F90-Q94 WeakPolarHBondContact O-CB 3.4Å; F90-Q94 PolarHBondContact O-N 3.36Å
91	T	95.2	Very high	95.2	Very high	57 Å²	57	103.9 Å²	103.9	35%	0.35	51%	0.509	S	S	.	.	H	α-helix	trans	-61	-44.3	178.8	-54.6	0	0	0	0	111.2	L87 Q88 Q94 Q95	L87-T91 WeakPolarHBondContact O-CB 3.27Å; L87-T91 PolarHBondContact O-N 3.36Å; L87-T91 PolarHBondContact O-OG1 3.35Å; Q88-T91 PolarHBondContact O-N 3.05Å; T91-Q94 PolarHBondContact O-N 2.68Å; T91-Q95 WeakPolarHBondContact O-CG 3.43Å; T91-Q95 PolarHBondContact O-N 3.25Å
92	L	95.6	Very high	95.4	Very high	108 Å²	108	104.5 Å²	104.5	57%	0.565	51%	0.511	S	S	*	.	H	α-helix	trans	-63.4	-42.5	177.4	-172.9	67	0	0	0	111.6	Q88 F90 Q94 Q95 L96	Q88-L92 WeakPolarHBondContact O-CB 3.42Å; Q88-L92 PolarHBondContact O-N 2.9Å; F90-L92 VanDerWaalsContact C-N 3.35Å; F90-L92 PolarHBondContact O-N 3.31Å; L92-Q94 VanDerWaalsContact C-N 3.35Å; L92-Q95 PolarHBondContact O-N 3.24Å; L92-L96 VanDerWaalsContact O-CB 3.23Å; L92-L96 WeakPolarHBondContact O-CB 3.44Å; L92-L96 PolarHBondContact O-N 3.09Å
93	R	96.8	Very high	95.4	Very high	182 Å²	182	102.6 Å²	102.6	69%	0.687	51%	0.511	S	S	*	.	H	α-helix	trans	-62.4	-41.5	174.5	-77.5	175.9	179.3	152.2	1.5	111.9	S89 F90 L96 Q97	S89-R93 WeakPolarHBondContact O-CB 3.13Å; S89-R93 VanDerWaalsContact O-CG 3.28Å; S89-R93 WeakPolarHBondContact O-CG 3.42Å; S89-R93 PolarHBondContact O-N 3Å; F90-R93 PolarHBondContact O-N 3.36Å; R93-L96 PolarHBondContact O-N 2.88Å; R93-Q97 WeakPolarHBondContact O-CB 3.4Å; R93-Q97 PolarHBondContact O-N 2.78Å
94	Q	96.2	Very high	95.2	Very high	110 Å²	110	102 Å²	102	51%	0.514	51%	0.512	S	S	.	.	H	α-helix	trans	-63.9	-48.1	177	-172.7	174.4	21.1	0	0	111.4	F90 T91 L92 L96 Q97 T98	F90-Q94 WeakPolarHBondContact O-CB 3.4Å; F90-Q94 PolarHBondContact O-N 3.36Å; T91-Q94 PolarHBondContact O-N 2.68Å; L92-Q94 VanDerWaalsContact C-N 3.35Å; Q94-L96 VanDerWaalsContact C-N 3.33Å; Q94-L96 PolarHBondContact O-N 3.47Å; Q94-Q97 PolarHBondContact O-N 2.87Å; Q94-T98 PolarHBondContact O-N 3.11Å; Q94-T98 PolarHBondContact O-OG1 2.99Å; Q94-T98 VanDerWaalsContact O-OG1 3.05Å
95	Q	96.7	Very high	95.2	Very high	121 Å²	121	105.2 Å²	105.2	57%	0.565	52%	0.519	S	S	*	.	H	α-helix	trans	-59.6	-42.8	176	-73.5	176.8	-6.1	0	0	112.1	T91 L92 Q97 T98 A99	T91-Q95 WeakPolarHBondContact O-CG 3.43Å; T91-Q95 PolarHBondContact O-N 3.25Å; L92-Q95 PolarHBondContact O-N 3.24Å; Q95-Q97 VanDerWaalsContact C-N 3.34Å; Q95-Q97 PolarHBondContact O-N 2.73Å; Q95-T98 PolarHBondContact O-N 2.88Å; Q95-A99 WeakPolarHBondContact O-CB 3.33Å; Q95-A99 PolarHBondContact O-N 3.25Å
96	L	96	Very high	95.3	Very high	82 Å²	82	104 Å²	104	43%	0.429	52%	0.517	S	S	.	.	H	α-helix	trans	-62.9	-40.8	177	-171.3	159.8	0	0	0	111.4	L92 R93 Q94 A99 R100	L92-L96 VanDerWaalsContact O-CB 3.23Å; L92-L96 WeakPolarHBondContact O-CB 3.44Å; L92-L96 PolarHBondContact O-N 3.09Å; R93-L96 PolarHBondContact O-N 2.88Å; Q94-L96 VanDerWaalsContact C-N 3.33Å; Q94-L96 PolarHBondContact O-N 3.47Å; L96-A99 PolarHBondContact O-N 2.94Å; L96-R100 HydrophobicContact CD2-CG 4.12Å; L96-R100 VanDerWaalsContact CD2-NE 3.29Å; L96-R100 WeakPolarHBondContact O-CB 3.3Å; L96-R100 WeakPolarHBondContact O-CG 3.29Å; L96-R100 PolarHBondContact O-N 3.18Å
97	Q	95.6	Very high	95.3	Very high	141 Å²	141	104.2 Å²	104.2	66%	0.659	52%	0.519	S	S	*	.	H	α-helix	trans	-65.2	-42.5	176.3	-173.1	170.8	-13.7	0	0	111.9	R93 Q94 Q95 R100 Q101	R93-Q97 WeakPolarHBondContact O-CB 3.4Å; R93-Q97 PolarHBondContact O-N 2.78Å; Q94-Q97 PolarHBondContact O-N 2.87Å; Q95-Q97 VanDerWaalsContact C-N 3.34Å; Q95-Q97 PolarHBondContact O-N 2.73Å; Q97-R100 PolarHBondContact O-N 2.8Å; Q97-Q101 PolarHBondContact O-N 2.94Å
98	T	95.5	Very high	95.2	Very high	66 Å²	66	107.2 Å²	107.2	41%	0.405	52%	0.524	S	S	.	.	H	α-helix	trans	-62	-47.5	174.4	-50.6	0	0	0	0	111.3	Q94 Q95 R100 Q101 E102	Q94-T98 PolarHBondContact O-N 3.11Å; Q94-T98 PolarHBondContact O-OG1 2.99Å; Q94-T98 VanDerWaalsContact O-OG1 3.05Å; Q95-T98 PolarHBondContact O-N 2.88Å; T98-R100 VanDerWaalsContact C-N 3.3Å; T98-R100 PolarHBondContact O-N 3.16Å; T98-Q101 WeakPolarHBondContact O-CB 3.35Å; T98-Q101 PolarHBondContact O-N 2.74Å; T98-E102 WeakPolarHBondContact O-CG 3.44Å; T98-E102 PolarHBondContact O-N 3.16Å
99	A	95.3	Very high	95.2	Very high	51 Å²	51	106 Å²	106	42%	0.421	52%	0.518	S	S	.	.	H	α-helix	trans	-60.7	-38	177.5	0	0	0	0	0	112.3	Q95 L96 L103	Q95-A99 WeakPolarHBondContact O-CB 3.33Å; Q95-A99 PolarHBondContact O-N 3.25Å; L96-A99 PolarHBondContact O-N 2.94Å; A99-L103 VanDerWaalsContact O-CB 3.25Å; A99-L103 WeakPolarHBondContact O-CB 3.4Å; A99-L103 PolarHBondContact O-N 2.79Å
100	R	96.4	Very high	95.2	Very high	177 Å²	177	109.7 Å²	109.7	67%	0.668	53%	0.531	S	S	*	.	H	α-helix	trans	-63.3	-41.1	172.9	-79.3	-179.7	174.1	170	-0	112.2	L96 Q97 T98 S104	L96-R100 HydrophobicContact CD2-CG 4.12Å; L96-R100 VanDerWaalsContact CD2-NE 3.29Å; L96-R100 WeakPolarHBondContact O-CB 3.3Å; L96-R100 WeakPolarHBondContact O-CG 3.29Å; L96-R100 PolarHBondContact O-N 3.18Å; Q97-R100 PolarHBondContact O-N 2.8Å; T98-R100 VanDerWaalsContact C-N 3.3Å; T98-R100 PolarHBondContact O-N 3.16Å; R100-S104 WeakPolarHBondContact O-CB 3.48Å; R100-S104 PolarHBondContact O-N 2.99Å
101	Q	95	Very high	95.1	Very high	134 Å²	134	107.1 Å²	107.1	63%	0.626	52%	0.522	S	S	*	.	H	α-helix	trans	-65.7	-45.8	177.6	-172.6	174.8	-1.3	0	0	111.2	Q97 T98 L103 S104 H105	Q97-Q101 PolarHBondContact O-N 2.94Å; T98-Q101 WeakPolarHBondContact O-CB 3.35Å; T98-Q101 PolarHBondContact O-N 2.74Å; Q101-L103 PolarHBondContact O-N 2.85Å; Q101-S104 PolarHBondContact O-N 2.98Å; Q101-S104 PolarHBondContact O-OG 3.03Å; Q101-H105 PolarHBondContact O-N 2.71Å
102	E	95.9	Very high	95	Very high	132 Å²	132	106.9 Å²	106.9	62%	0.617	53%	0.526	S	S	*	.	H	α-helix	trans	-60.1	-45	175.2	-70.7	177.5	176.2	0	0	112	T98 S104 H105 A106	T98-E102 WeakPolarHBondContact O-CG 3.44Å; T98-E102 PolarHBondContact O-N 3.16Å; E102-S104 PolarHBondContact O-N 3.41Å; E102-H105 PolarHBondContact O-N 3.24Å; E102-A106 PolarHBondContact O-N 3.02Å
103	L	95.5	Very high	95	Very high	102 Å²	102	103.9 Å²	103.9	53%	0.534	52%	0.517	S	S	.	.	H	α-helix	trans	-60.8	-45.7	175.8	-173.1	164.5	0	0	0	111	A99 Q101 H105 A106 L107	A99-L103 VanDerWaalsContact O-CB 3.25Å; A99-L103 WeakPolarHBondContact O-CB 3.4Å; A99-L103 PolarHBondContact O-N 2.79Å; Q101-L103 PolarHBondContact O-N 2.85Å; L103-H105 VanDerWaalsContact C-N 3.28Å; L103-H105 PolarHBondContact O-N 3.43Å; L103-A106 PolarHBondContact O-N 3.16Å; L103-L107 HydrophobicContact CD2-CD1 3.41Å; L103-L107 VanDerWaalsContact CD2-CD1 3.41Å; L103-L107 HydrophobicContact CD2-CG 3.81Å; L103-L107 PolarHBondContact O-N 3.42Å
104	S	92.1	Very high	94.9	Very high	50 Å²	50	97.9 Å²	97.9	35%	0.35	50%	0.502	S	S	.	.	H	α-helix	trans	-58.6	-43	178.5	75.3	0	0	0	0	111.5	R100 Q101 E102 L107 Y108	R100-S104 WeakPolarHBondContact O-CB 3.48Å; R100-S104 PolarHBondContact O-N 2.99Å; Q101-S104 PolarHBondContact O-N 2.98Å; Q101-S104 PolarHBondContact O-OG 3.03Å; E102-S104 PolarHBondContact O-N 3.41Å; S104-L107 PolarHBondContact O-N 2.84Å; S104-Y108 WeakPolarHBondContact O-CD2 3.4Å; S104-Y108 PolarHBondContact O-N 3.05Å; S104-Y108 VanDerWaalsContact O-N 3.07Å
105	H	94.2	Very high	94.7	Very high	114 Å²	114	100.3 Å²	100.3	53%	0.528	51%	0.507	S	S	.	.	H	α-helix	trans	-65	-42.9	177	-173.1	-97.7	0	0	0	111.8	Q101 E102 L103 L107 Y108 Q109	Q101-H105 PolarHBondContact O-N 2.71Å; E102-H105 PolarHBondContact O-N 3.24Å; L103-H105 VanDerWaalsContact C-N 3.28Å; L103-H105 PolarHBondContact O-N 3.43Å; H105-L107 VanDerWaalsContact C-N 3.34Å; H105-L107 PolarHBondContact O-N 3.25Å; H105-Y108 PolarHBondContact O-N 3.34Å; H105-Q109 PolarHBondContact CE1-NE2 3.43Å; H105-Q109 WeakPolarHBondContact O-CG 3.34Å; H105-Q109 PolarHBondContact O-N 2.98Å
106	A	95.4	Very high	94.6	Very high	52 Å²	52	98.2 Å²	98.2	43%	0.43	50%	0.502	S	S	.	.	H	α-helix	trans	-62	-39.3	175.7	0	0	0	0	0	112.5	E102 L103 Q109 H110	E102-A106 PolarHBondContact O-N 3.02Å; L103-A106 PolarHBondContact O-N 3.16Å; A106-Q109 PolarHBondContact O-N 2.93Å; A106-H110 WeakPolarHBondContact O-CB 3.46Å; A106-H110 PolarHBondContact O-N 3.26Å
107	L	93.8	Very high	94.5	Very high	85 Å²	85	99.1 Å²	99.1	45%	0.445	51%	0.506	S	S	.	.	H	α-helix	trans	-65.9	-41.2	175.6	-74.8	-179.9	0	0	0	112.5	L103 S104 H105 Q109 H110 D111	L103-L107 HydrophobicContact CD2-CD1 3.41Å; L103-L107 VanDerWaalsContact CD2-CD1 3.41Å; L103-L107 HydrophobicContact CD2-CG 3.81Å; L103-L107 PolarHBondContact O-N 3.42Å; S104-L107 PolarHBondContact O-N 2.84Å; H105-L107 VanDerWaalsContact C-N 3.34Å; H105-L107 PolarHBondContact O-N 3.25Å; L107-Q109 VanDerWaalsContact C-N 3.34Å; L107-H110 PolarHBondContact O-N 2.89Å; L107-D111 PolarHBondContact O-N 2.67Å
108	Y	94.1	Very high	94.3	Very high	178 Å²	178	94.9 Å²	94.9	70%	0.698	50%	0.495	S	S	*	.	H	α-helix	trans	-62.4	-41.7	174.1	-82.4	-66.6	0	0	0	111.9	S104 H105 H110 D111 A112	S104-Y108 WeakPolarHBondContact O-CD2 3.4Å; S104-Y108 PolarHBondContact O-N 3.05Å; S104-Y108 VanDerWaalsContact O-N 3.07Å; H105-Y108 PolarHBondContact O-N 3.34Å; Y108-H110 VanDerWaalsContact C-N 3.35Å; Y108-D111 PolarHBondContact O-N 2.94Å; Y108-A112 WeakPolarHBondContact O-CB 3.35Å; Y108-A112 PolarHBondContact O-N 2.83Å
109	Q	93.9	Very high	94.3	Very high	115 Å²	115	99.6 Å²	99.6	54%	0.537	51%	0.506	S	S	.	.	H	α-helix	trans	-64.1	-39.8	175	-72.6	-175.8	-17.9	0	0	112.2	H105 A106 L107 A112 A113	H105-Q109 PolarHBondContact CE1-NE2 3.43Å; H105-Q109 WeakPolarHBondContact O-CG 3.34Å; H105-Q109 PolarHBondContact O-N 2.98Å; A106-Q109 PolarHBondContact O-N 2.93Å; L107-Q109 VanDerWaalsContact C-N 3.34Å; Q109-A112 PolarHBondContact O-N 2.89Å; Q109-A113 WeakPolarHBondContact O-CB 3.49Å; Q109-A113 PolarHBondContact O-N 2.77Å
110	H	94.8	Very high	94.3	Very high	121 Å²	121	101.4 Å²	101.4	56%	0.56	51%	0.508	S	S	*	.	H	α-helix	trans	-63.7	-47.6	176.1	-177.8	-82.1	0	0	0	111.7	A106 L107 Y108 A112 A113 C114	A106-H110 WeakPolarHBondContact O-CB 3.46Å; A106-H110 PolarHBondContact O-N 3.26Å; L107-H110 PolarHBondContact O-N 2.89Å; Y108-H110 VanDerWaalsContact C-N 3.35Å; H110-A112 VanDerWaalsContact C-N 3.33Å; H110-A112 PolarHBondContact O-N 2.87Å; H110-A113 PolarHBondContact O-N 2.94Å; H110-C114 PolarHBondContact CE1-SG 3.01Å; H110-C114 PolarHBondContact O-N 3.25Å; H110-C114 PolarHBondContact O-SG 2.83Å; H110-C114 VanDerWaalsContact O-SG 3.39Å
111	D	93.6	Very high	94.2	Very high	71 Å²	71	96.4 Å²	96.4	38%	0.38	50%	0.497	S	S	.	.	H	α-helix	trans	-60	-44	175.9	-175.4	56.6	0	0	0	111.6	L107 Y108 A113 C114 R115	L107-D111 PolarHBondContact O-N 2.67Å; Y108-D111 PolarHBondContact O-N 2.94Å; D111-A113 VanDerWaalsContact C-N 3.35Å; D111-A113 PolarHBondContact O-N 2.85Å; D111-C114 PolarHBondContact O-N 3.16Å; D111-R115 WeakPolarHBondContact O-CG 3.29Å; D111-R115 PolarHBondContact O-N 2.81Å; D111-R115 IonicContact OD1-NE 3.79Å; D111-R115 IonicContact OD2-CZ 3.19Å; D111-R115 IonicContact OD2-NE 2.86Å; D111-R115 PolarHBondContact OD2-NE 3.47Å; D111-R115 IonicContact OD2-NH2 2.78Å; D111-R115 PolarHBondContact OD2-NH2 3.37Å
112	A	93.7	Very high	94.1	Very high	52 Å²	52	97.7 Å²	97.7	43%	0.43	50%	0.5	S	S	.	.	H	α-helix	trans	-59.9	-43.5	174.6	0	0	0	0	0	112.1	Y108 Q109 H110 R115 V116	Y108-A112 WeakPolarHBondContact O-CB 3.35Å; Y108-A112 PolarHBondContact O-N 2.83Å; Q109-A112 PolarHBondContact O-N 2.89Å; H110-A112 VanDerWaalsContact C-N 3.33Å; H110-A112 PolarHBondContact O-N 2.87Å; A112-R115 PolarHBondContact O-N 3.35Å; A112-V116 WeakPolarHBondContact O-CG2 3.46Å; A112-V116 PolarHBondContact O-N 2.79Å
113	A	94.9	Very high	94.1	Very high	46 Å²	46	96.8 Å²	96.8	38%	0.38	50%	0.496	S	S	.	.	H	α-helix	trans	-63.3	-43.8	177	0	0	0	0	0	111.9	Q109 H110 D111 R115 V116 I117	Q109-A113 WeakPolarHBondContact O-CB 3.49Å; Q109-A113 PolarHBondContact O-N 2.77Å; H110-A113 PolarHBondContact O-N 2.94Å; D111-A113 VanDerWaalsContact C-N 3.35Å; D111-A113 PolarHBondContact O-N 2.85Å; A113-R115 VanDerWaalsContact C-N 3.34Å; A113-R115 PolarHBondContact O-N 3.48Å; A113-V116 PolarHBondContact O-N 3.04Å; A113-I117 VanDerWaalsContact O-CG1 3.28Å; A113-I117 WeakPolarHBondContact O-CG1 3.48Å; A113-I117 PolarHBondContact O-N 3.28Å
114	C	94.5	Very high	94	Very high	55 Å²	55	95.2 Å²	95.2	37%	0.372	49%	0.491	S	S	.	.	H	α-helix	trans	-60	-42.2	175.5	-71.9	0	0	0	0	112.1	H110 D111 V116 I117 A118	H110-C114 PolarHBondContact CE1-SG 3.01Å; H110-C114 PolarHBondContact O-N 3.25Å; H110-C114 PolarHBondContact O-SG 2.83Å; H110-C114 VanDerWaalsContact O-SG 3.39Å; D111-C114 PolarHBondContact O-N 3.16Å; C114-V116 VanDerWaalsContact C-N 3.34Å; C114-V116 PolarHBondContact O-N 2.91Å; C114-I117 PolarHBondContact O-N 2.91Å; C114-A118 WeakPolarHBondContact O-CB 3.19Å; C114-A118 PolarHBondContact O-N 2.92Å
115	R	92.9	Very high	94	Very high	162 Å²	162	96.2 Å²	96.2	61%	0.611	50%	0.495	S	S	*	.	H	α-helix	trans	-62.9	-39.6	175.4	-68.4	176.5	-165.8	-142.4	3.4	112.2	D111 A112 A113 R119	D111-R115 WeakPolarHBondContact O-CG 3.29Å; D111-R115 PolarHBondContact O-N 2.81Å; D111-R115 IonicContact OD1-NE 3.79Å; D111-R115 IonicContact OD2-CZ 3.19Å; D111-R115 IonicContact OD2-NE 2.86Å; D111-R115 PolarHBondContact OD2-NE 3.47Å; D111-R115 IonicContact OD2-NH2 2.78Å; D111-R115 PolarHBondContact OD2-NH2 3.37Å; A112-R115 PolarHBondContact O-N 3.35Å; A113-R115 VanDerWaalsContact C-N 3.34Å; A113-R115 PolarHBondContact O-N 3.48Å; R115-R119 PolarHBondContact O-N 2.97Å
116	V	94.5	Very high	93.9	Very high	77 Å²	77	93.4 Å²	93.4	47%	0.467	49%	0.492	S	S	.	.	H	α-helix	trans	-66.8	-45.5	176.1	171.8	0	0	0	0	111	A112 A113 C114 A118 R119 L120	A112-V116 WeakPolarHBondContact O-CG2 3.46Å; A112-V116 PolarHBondContact O-N 2.79Å; A113-V116 PolarHBondContact O-N 3.04Å; C114-V116 VanDerWaalsContact C-N 3.34Å; C114-V116 PolarHBondContact O-N 2.91Å; V116-A118 VanDerWaalsContact C-N 3.34Å; V116-A118 PolarHBondContact O-N 3.49Å; V116-R119 PolarHBondContact O-N 3.48Å; V116-L120 HydrophobicContact CG1-CD1 3.82Å; V116-L120 HydrophobicContact CG1-CG 4.33Å; V116-L120 WeakPolarHBondContact O-CB 2.86Å; V116-L120 WeakPolarHBondContact O-CG 3.25Å; V116-L120 PolarHBondContact O-N 3.04Å
117	I	92.8	Very high	93.7	Very high	101 Å²	101	93.5 Å²	93.5	52%	0.518	49%	0.492	S	S	.	.	H	α-helix	trans	-59.1	-46.1	176.2	-68.5	164.8	0	0	0	110.2	A113 C114 R119 L120 T121	A113-I117 VanDerWaalsContact O-CG1 3.28Å; A113-I117 WeakPolarHBondContact O-CG1 3.48Å; A113-I117 PolarHBondContact O-N 3.28Å; C114-I117 PolarHBondContact O-N 2.91Å; I117-R119 VanDerWaalsContact C-N 3.3Å; I117-R119 PolarHBondContact O-N 3.02Å; I117-L120 PolarHBondContact O-N 2.73Å; I117-T121 HydrophobicContact CG2-CG2 4.17Å; I117-T121 WeakPolarHBondContact O-CG2 3.38Å; I117-T121 PolarHBondContact O-N 2.76Å; I117-T121 PolarHBondContact O-OG1 3.27Å
118	A	92.1	Very high	93.4	Very high	51 Å²	51	98 Å²	98	42%	0.421	50%	0.503	S	S	.	.	H	α-helix	trans	-64.1	-31.9	178.2	0	0	0	0	0	113.4	C114 V116 T121 K122	C114-A118 WeakPolarHBondContact O-CB 3.19Å; C114-A118 PolarHBondContact O-N 2.92Å; V116-A118 VanDerWaalsContact C-N 3.34Å; V116-A118 PolarHBondContact O-N 3.49Å; A118-T121 WeakPolarHBondContact CA-OG1 3.47Å; A118-T121 PolarHBondContact O-OG1 2.96Å; A118-K122 WeakPolarHBondContact O-CG 3.4Å; A118-K122 PolarHBondContact O-N 3.43Å
119	R	94.5	Very high	93	Very high	166 Å²	166	95.3 Å²	95.3	63%	0.626	50%	0.497	S	S	*	.	H	α-helix	trans	-70.4	-49.2	172.8	-175.4	-176.9	-62.2	169.5	0.7	111	R115 V116 I117 T121 K122 E123	R115-R119 PolarHBondContact O-N 2.97Å; V116-R119 PolarHBondContact O-N 3.48Å; I117-R119 VanDerWaalsContact C-N 3.3Å; I117-R119 PolarHBondContact O-N 3.02Å; R119-T121 VanDerWaalsContact C-N 3.31Å; R119-T121 PolarHBondContact O-N 3.2Å; R119-K122 WeakPolarHBondContact O-CB 3.47Å; R119-K122 PolarHBondContact O-N 3.06Å; R119-E123 PolarHBondContact O-N 2.92Å
120	L	95.7	Very high	92.6	Very high	88 Å²	88	92.4 Å²	92.4	46%	0.461	49%	0.493	S	S	.	.	H	α-helix	trans	-61.7	-38.1	179.2	-73.7	170.6	0	0	0	111.9	V116 I117 K122 E123 V124	V116-L120 HydrophobicContact CG1-CD1 3.82Å; V116-L120 HydrophobicContact CG1-CG 4.33Å; V116-L120 WeakPolarHBondContact O-CB 2.86Å; V116-L120 WeakPolarHBondContact O-CG 3.25Å; V116-L120 PolarHBondContact O-N 3.04Å; I117-L120 PolarHBondContact O-N 2.73Å; L120-K122 VanDerWaalsContact C-N 3.33Å; L120-K122 PolarHBondContact O-N 3.47Å; L120-E123 PolarHBondContact O-N 2.85Å; L120-V124 WeakPolarHBondContact O-CB 3.49Å; L120-V124 WeakPolarHBondContact O-CG2 3.48Å; L120-V124 PolarHBondContact O-N 3.42Å
121	T	94.5	Very high	91.8	Very high	73 Å²	73	92.5 Å²	92.5	45%	0.448	50%	0.497	S	S	.	.	H	α-helix	trans	-65.4	-38	176.9	55.7	0	0	0	0	111.5	I117 A118 R119 T125	I117-T121 HydrophobicContact CG2-CG2 4.17Å; I117-T121 WeakPolarHBondContact O-CG2 3.38Å; I117-T121 PolarHBondContact O-N 2.76Å; I117-T121 PolarHBondContact O-OG1 3.27Å; A118-T121 WeakPolarHBondContact CA-OG1 3.47Å; A118-T121 PolarHBondContact O-OG1 2.96Å; R119-T121 VanDerWaalsContact C-N 3.31Å; R119-T121 PolarHBondContact O-N 3.2Å; T121-T125 WeakPolarHBondContact O-CB 3.39Å; T121-T125 PolarHBondContact O-N 3.1Å; T121-T125 PolarHBondContact O-OG1 2.94Å
122	K	93.7	Very high	91	Very high	160 Å²	160	92.7 Å²	92.7	70%	0.696	51%	0.508	S	S	*	.	H	α-helix	trans	-64.5	-45.9	172.3	-75.1	-179.5	-179.8	-178.2	0	112	A118 R119 L120 T125 A126	A118-K122 WeakPolarHBondContact O-CG 3.4Å; A118-K122 PolarHBondContact O-N 3.43Å; R119-K122 WeakPolarHBondContact O-CB 3.47Å; R119-K122 PolarHBondContact O-N 3.06Å; L120-K122 VanDerWaalsContact C-N 3.33Å; L120-K122 PolarHBondContact O-N 3.47Å; K122-T125 PolarHBondContact O-N 3.37Å; K122-A126 WeakPolarHBondContact O-CB 3.33Å; K122-A126 PolarHBondContact O-N 3.31Å
123	E	94.7	Very high	90	Very high	113 Å²	113	96 Å²	96	53%	0.528	52%	0.523	S	S	.	.	H	α-helix	trans	-62.1	-43.6	177.5	-72.2	173.5	-171	0	0	111.9	R119 L120 T125 A126 A127	R119-E123 PolarHBondContact O-N 2.92Å; L120-E123 PolarHBondContact O-N 2.85Å; E123-T125 VanDerWaalsContact C-N 3.33Å; E123-T125 PolarHBondContact O-N 3.2Å; E123-A126 PolarHBondContact O-N 2.95Å; E123-A127 WeakPolarHBondContact O-CB 3.26Å; E123-A127 PolarHBondContact O-N 3.49Å
124	V	93.6	Very high	88.5	Confident	69 Å²	69	100 Å²	100	42%	0.418	54%	0.537	S	S	.	.	H	α-helix	trans	-62.9	-39.9	175.1	168.3	0	0	0	0	111.3	L120 A127 R128	L120-V124 WeakPolarHBondContact O-CB 3.49Å; L120-V124 WeakPolarHBondContact O-CG2 3.48Å; L120-V124 PolarHBondContact O-N 3.42Å; V124-A127 PolarHBondContact O-N 2.81Å; V124-R128 WeakPolarHBondContact O-CB 3.37Å; V124-R128 VanDerWaalsContact O-CG 3.28Å; V124-R128 WeakPolarHBondContact O-CG 3.41Å; V124-R128 PolarHBondContact O-N 3.21Å
125	T	91.9	Very high	86.6	Confident	71 Å²	71	105.9 Å²	105.9	44%	0.436	56%	0.557	S	S	.	*	H	α-helix	trans	-66.6	-46.5	178.2	-54	0	0	0	0	110.8	T121 K122 E123 A127 R128 E129	T121-T125 WeakPolarHBondContact O-CB 3.39Å; T121-T125 PolarHBondContact O-N 3.1Å; T121-T125 PolarHBondContact O-OG1 2.94Å; K122-T125 PolarHBondContact O-N 3.37Å; E123-T125 VanDerWaalsContact C-N 3.33Å; E123-T125 PolarHBondContact O-N 3.2Å; T125-A127 VanDerWaalsContact C-N 3.34Å; T125-A127 PolarHBondContact O-N 3.21Å; T125-R128 PolarHBondContact O-N 2.62Å; T125-R128 VanDerWaalsContact O-N 3.17Å; T125-E129 WeakPolarHBondContact O-CG 3.34Å; T125-E129 PolarHBondContact O-N 3.46Å
126	A	92	Very high	84.4	Confident	56 Å²	56	103.8 Å²	103.8	46%	0.463	56%	0.564	S	S	.	*	H	α-helix	trans	-61.2	-40.6	175.8	0	0	0	0	0	112.4	K122 E123 E129 A130	K122-A126 WeakPolarHBondContact O-CB 3.33Å; K122-A126 PolarHBondContact O-N 3.31Å; E123-A126 PolarHBondContact O-N 2.95Å; A126-E129 PolarHBondContact O-N 2.86Å; A126-A130 WeakPolarHBondContact O-CB 3.3Å; A126-A130 PolarHBondContact O-N 2.81Å
127	A	91.8	Very high	82	Confident	54 Å²	54	109.3 Å²	109.3	45%	0.446	59%	0.585	S	S	.	*	H	α-helix	trans	-65.1	-38.3	175.3	0	0	0	0	0	112.3	E123 V124 T125 A130 L131	E123-A127 WeakPolarHBondContact O-CB 3.26Å; E123-A127 PolarHBondContact O-N 3.49Å; V124-A127 PolarHBondContact O-N 2.81Å; T125-A127 VanDerWaalsContact C-N 3.34Å; T125-A127 PolarHBondContact O-N 3.21Å; A127-A130 PolarHBondContact O-N 2.85Å; A127-L131 WeakPolarHBondContact O-CB 3.32Å; A127-L131 WeakPolarHBondContact O-CG 3.29Å; A127-L131 PolarHBondContact O-N 2.88Å
128	R	87.3	Confident	79.3	Confident	178 Å²	178	109.1 Å²	109.1	67%	0.672	60%	0.599	S	S	*	*	H	α-helix	trans	-67	-39.5	174.6	-76.4	175.9	178.7	-177.4	0.8	112.1	V124 T125 L131 A132	V124-R128 WeakPolarHBondContact O-CB 3.37Å; V124-R128 VanDerWaalsContact O-CG 3.28Å; V124-R128 WeakPolarHBondContact O-CG 3.41Å; V124-R128 PolarHBondContact O-N 3.21Å; T125-R128 PolarHBondContact O-N 2.62Å; T125-R128 VanDerWaalsContact O-N 3.17Å; R128-L131 PolarHBondContact O-N 2.85Å; R128-A132 WeakPolarHBondContact O-CB 3.48Å; R128-A132 PolarHBondContact O-N 3.45Å
129	E	85.4	Confident	76.6	Confident	122 Å²	122	109.5 Å²	109.5	57%	0.57	61%	0.607	S	S	*	*	H	α-helix	trans	-65.3	-42.8	174.7	-72.9	174.3	180	0	0	111.5	T125 A126 L131 A132 T133	T125-E129 WeakPolarHBondContact O-CG 3.34Å; T125-E129 PolarHBondContact O-N 3.46Å; A126-E129 PolarHBondContact O-N 2.86Å; E129-L131 PolarHBondContact O-N 2.82Å; E129-A132 PolarHBondContact O-N 3.44Å; E129-T133 PolarHBondContact O-N 2.96Å; E129-T133 PolarHBondContact O-OG1 2.99Å
130	A	84.9	Confident	73.8	Confident	55 Å²	55	109.6 Å²	109.6	46%	0.455	62%	0.619	S	S	.	*	H	α-helix	trans	-61.2	-43.9	174.6	0	0	0	0	0	112	A126 A127 T133 L134	A126-A130 WeakPolarHBondContact O-CB 3.3Å; A126-A130 PolarHBondContact O-N 2.81Å; A127-A130 PolarHBondContact O-N 2.85Å; A130-T133 WeakPolarHBondContact O-CB 3.24Å; A130-T133 PolarHBondContact O-N 3.21Å; A130-L134 WeakPolarHBondContact O-CG 3.32Å; A130-L134 PolarHBondContact O-N 2.93Å
131	L	77.9	Confident	70.6	Confident	123 Å²	123	112.6 Å²	112.6	64%	0.644	63%	0.634	S	S	*	*	H	α-helix	trans	-65.6	-38.5	174.3	-80.6	170.8	0	0	0	112.9	A127 R128 E129 T133 L134	A127-L131 WeakPolarHBondContact O-CB 3.32Å; A127-L131 WeakPolarHBondContact O-CG 3.29Å; A127-L131 PolarHBondContact O-N 2.88Å; R128-L131 PolarHBondContact O-N 2.85Å; E129-L131 PolarHBondContact O-N 2.82Å; L131-T133 PolarHBondContact O-N 2.92Å; L131-L134 CarbonylContact O-C 3.54Å; L131-L134 WeakPolarHBondContact O-CA 3.44Å; L131-L134 PolarHBondContact O-N 2.86Å; L131-L134 VanDerWaalsContact O-N 3.07Å
132	A	77.3	Confident	67.6	Low	74 Å²	74	118 Å²	118	61%	0.612	65%	0.654	S	S	*	*	H	α-helix	trans	-65.4	-31.9	176.6	0	0	0	0	0	112.2	R128 E129 L134	R128-A132 WeakPolarHBondContact O-CB 3.48Å; R128-A132 PolarHBondContact O-N 3.45Å; E129-A132 PolarHBondContact O-N 3.44Å; A132-L134 VanDerWaalsContact C-N 3.26Å
133	T	73.8	Confident	64.6	Low	121 Å²	121	115.9 Å²	115.9	74%	0.742	66%	0.656	S	S	*	*	H	α-helix	trans	-68.7	-30.9	173.5	-46.8	0	0	0	0	111	E129 A130 L131 K135	E129-T133 PolarHBondContact O-N 2.96Å; E129-T133 PolarHBondContact O-OG1 2.99Å; A130-T133 WeakPolarHBondContact O-CB 3.24Å; A130-T133 PolarHBondContact O-N 3.21Å; L131-T133 PolarHBondContact O-N 2.92Å; T133-K135 VanDerWaalsContact C-N 3.34Å; T133-K135 PolarHBondContact O-N 2.79Å; T133-K135 VanDerWaalsContact O-N 3.14Å
134	L	61.7	Low	61.4	Low	130 Å²	130	115.7 Å²	115.7	68%	0.681	67%	0.667	S	S	*	*			trans	-87.2	68.2	175	-65.2	170.5	0	0	0	111.2	A130 L131 A132	A130-L134 WeakPolarHBondContact O-CG 3.32Å; A130-L134 PolarHBondContact O-N 2.93Å; L131-L134 CarbonylContact O-C 3.54Å; L131-L134 WeakPolarHBondContact O-CA 3.44Å; L131-L134 PolarHBondContact O-N 2.86Å; L131-L134 VanDerWaalsContact O-N 3.07Å; A132-L134 VanDerWaalsContact C-N 3.26Å
135	K	56.4	Low	58.4	Low	179 Å²	179	121.4 Å²	121.4	78%	0.778	69%	0.69	S	S	*	*			trans	-57.1	146.8	159.1	-89.4	-175.3	178	177.7	0	109.9	T133 Q137	T133-K135 VanDerWaalsContact C-N 3.34Å; T133-K135 PolarHBondContact O-N 2.79Å; T133-K135 VanDerWaalsContact O-N 3.14Å; K135-Q137 PolarHBondContact O-N 3.43Å
136	P	45.7	Very low	55.3	Low	119 Å²	119	126.3 Å²	126.3	77%	0.773	71%	0.709	S	S	*	*			trans	-69.8	94.9	-174.3	28.8	-33.3	0	0	0	110.4	A138	P136-A138 PolarHBondContact O-N 3.12Å
137	Q	44.8	Very low	52.4	Low	192 Å²	192	130.9 Å²	130.9	90%	0.897	73%	0.726	S	S	*	*			trans	-81.2	68.6	145.7	-84.3	-174.3	-20.8	0	0	108.1	K135 G139	K135-Q137 PolarHBondContact O-N 3.43Å; Q137-G139 VanDerWaalsContact C-N 3.3Å; Q137-G139 PolarHBondContact O-N 3.26Å
138	A	35.6	Very low	49.5	Very low	98 Å²	98	133.4 Å²	133.4	81%	0.81	74%	0.736	S	S	*	*			trans	-72.4	96.3	146.4	0	0	0	0	0	105.7	P136	P136-A138 PolarHBondContact O-N 3.12Å
139	G	34.8	Very low	46.9	Very low	58 Å²	58	133.1 Å²	133.1	60%	0.598	74%	0.742	S	S	*	*			trans	174.3	84.9	-179.8	0	0	0	0	0	113.8	Q137	Q137-G139 VanDerWaalsContact C-N 3.3Å; Q137-G139 PolarHBondContact O-N 3.26Å
140	I	36.2	Very low	44.2	Very low	169 Å²	169	133.7 Å²	133.7	87%	0.867	75%	0.749	S	S	*	*			trans	88.1	89	155.6	-47.3	168.8	0	0	0	115.5
141	I	29	Very low	41.8	Very low	151 Å²	151	138.2 Å²	138.2	77%	0.774	76%	0.764	S	S	*	*			trans	-34.1	126.5	144.4	-59.5	155.2	0	0	0	111.3
142	Q	31.8	Very low	39.4	Very low	187 Å²	187	139.3 Å²	139.3	87%	0.874	77%	0.77	S	S	*	*				-152.4	138.2	127.3	-112	175.3	13.1	0	0	112.2
143	P	29.3	Very low	37.3	Very low	115 Å²	115	141.8 Å²	141.8	75%	0.747	78%	0.778	S	S	*	*			trans	-100.3	137.8	-160.5	35.4	-26.9	0	0	0	112.3
144	S	29.2	Very low	35	Very low	108 Å²	108	142 Å²	142	76%	0.755	78%	0.779	S	S	*	*			trans	-155.6	111.3	158.7	44.3	0	0	0	0	112.7
145	Q	29.8	Very low	33.7	Very low	190 Å²	190	144.8 Å²	144.8	89%	0.888	79%	0.789	S	S	*	*			trans	75.7	97.3	138	-64.1	-177.6	-6.4	0	0	119.4
146	M	26.2	Very low	32.5	Very low	173 Å²	173	144.6 Å²	144.6	85%	0.852	79%	0.791	S	S	*	*			trans	-29.4	132.2	145.6	-65.8	159.3	57.2	0	0	114
147	N	32.1	Very low	31.9	Very low	153 Å²	153	144.6 Å²	144.6	82%	0.818	79%	0.791	S	S	*	*			trans	-139	99	146.2	-139.9	13.5	0	0	0	108.8
148	V	30.2	Very low	31.7	Very low	106 Å²	106	141.5 Å²	141.5	64%	0.642	79%	0.787	S	S	*	*			trans	-88.8	109.4	177.7	176.9	0	0	0	0	106.9
149	Q	33	Very low	31.5	Very low	173 Å²	173	141.7 Å²	141.7	81%	0.808	79%	0.788	S	S	*	*			trans	-108.7	102.3	164	-84.3	-175.3	-24.1	0	0	109.5
150	N	29.1	Very low	31.2	Very low	134 Å²	134	142.3 Å²	142.3	72%	0.717	80%	0.795	S	S	*	*			trans	-56.9	124.7	165.1	-78.2	-24.7	0	0	0	110.4
151	I	33.2	Very low	31	Very low	149 Å²	149	141.2 Å²	141.2	76%	0.764	80%	0.797	S	S	*	*			trans	-128.7	94.1	153.3	-57.2	179.9	0	0	0	107.2	T153	I151-T153 HydrophobicContact CG2-CG2 4.42Å
152	N	28.7	Very low	31	Very low	146 Å²	146	138.6 Å²	138.6	78%	0.781	80%	0.797	S	S	*	*			trans	-77.8	119.4	161.2	-83.5	-20.5	0	0	0	107.9
153	T	33.4	Very low	30.9	Very low	127 Å²	127	135.6 Å²	135.6	78%	0.779	79%	0.794	S	S	*	*			trans	-133.4	92	156.3	44.9	0	0	0	0	109.6	I151	I151-T153 HydrophobicContact CG2-CG2 4.42Å
154	T	25.8	Very low	30.8	Very low	124 Å²	124	136.8 Å²	136.8	76%	0.761	80%	0.8	S	S	*	*			trans	-65.1	126	157.7	44	0	0	0	0	109.6
155	H	34.3	Very low	30.6	Very low	190 Å²	190	138.2 Å²	138.2	88%	0.88	80%	0.803	S	S	*	*			trans	-148.9	135.6	148.8	-104.1	-66.4	0	0	0	111.9
156	Q	31.2	Very low	30.6	Very low	175 Å²	175	134 Å²	134	82%	0.818	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-64.8	158	-167.4	-90	162.6	-52	0	0	116.2
157	P	33.2	Very low	30.7	Very low	119 Å²	119	134 Å²	134	77%	0.773	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-81.1	150.1	170.3	33.1	-31.9	0	0	0	112.7
158	P	40.6	Very low	30.3	Very low	127 Å²	127	132.2 Å²	132.2	83%	0.825	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-85.2	135.2	171.3	8.2	7.9	0	0	0	112.8
159	A	31.5	Very low	30.3	Very low	101 Å²	101	132.4 Å²	132.4	84%	0.835	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-60.4	143.7	158	0	0	0	0	0	109.7
160	G	28.3	Very low	29.9	Very low	72 Å²	72	131.4 Å²	131.4	74%	0.742	80%	0.796	S	S	*	*				101.7	96.1	63.1	0	0	0	0	0	108.6
161	T	31.4	Very low	29.6	Very low	146 Å²	146	131.2 Å²	131.2	90%	0.896	80%	0.8	S	S	*	*			trans	-135.8	122	165.3	43.1	0	0	0	0	109.2
162	A	29.4	Very low	29.4	Very low	96 Å²	96	129.2 Å²	129.2	79%	0.793	80%	0.799	S	S	*	*			trans	-77.7	164.5	-174.1	0	0	0	0	0	112.8
163	P	28.8	Very low	29.4	Very low	124 Å²	124	129.2 Å²	129.2	81%	0.805	80%	0.799	S	S	*	*			trans	-92.1	143.9	-167.4	34.5	-30.3	0	0	0	113.4
164	T	27.3	Very low	29.2	Very low	140 Å²	140	131.1 Å²	131.1	86%	0.859	80%	0.804	S	S	*	*			trans	-107	122.5	170	36.5	0	0	0	0	110.4
165	V	26.2	Very low	29.4	Very low	137 Å²	137	129.3 Å²	129.3	83%	0.83	80%	0.797	S	S	*	*			trans	-117.6	126.2	164.7	173.8	0	0	0	0	105.9
166	P	28.4	Very low	29.2	Very low	101 Å²	101	124.3 Å²	124.3	66%	0.656	78%	0.783	S	S	*	*				-150.5	154	120.6	33	-13.5	0	0	0	116.4
167	Q	28.6	Very low	29.2	Very low	173 Å²	173	121.4 Å²	121.4	81%	0.808	78%	0.778	S	S	*	*			trans	80.6	94.3	139.5	-76.7	168.7	-27.6	0	0	121
168	S	24.1	Very low	29.5	Very low	116 Å²	116	120 Å²	120	81%	0.811	77%	0.767	S	S	*	*				5.6	123.7	127	57.4	0	0	0	0	119.7
169	S	29.1	Very low	29.5	Very low	111 Å²	111	119.3 Å²	119.3	78%	0.776	76%	0.756	S	S	*	*			trans	-151.4	105.2	148	59.6	0	0	0	0	110.4
170	D	25.1	Very low	30.2	Very low	152 Å²	152	118.4 Å²	118.4	81%	0.813	74%	0.744	S	S	*	*				43.4	119.6	128.7	-76.5	-5.4	0	0	0	121.8
171	T	24.2	Very low	31.5	Very low	129 Å²	129	121.8 Å²	121.8	79%	0.791	75%	0.745	S	S	*	*			trans	64.4	100.5	138.1	-4.7	0	0	0	0	119.6
172	S	28.3	Very low	33.3	Very low	107 Å²	107	121.6 Å²	121.6	75%	0.748	73%	0.734	S	S	*	*			trans	164.6	145.4	130.4	55	0	0	0	0	111
173	D	28.9	Very low	35.8	Very low	147 Å²	147	119.2 Å²	119.2	79%	0.786	71%	0.708	S	S	*	*			trans	66.6	85.1	164.4	-64.5	-12	0	0	0	117.9	S175	D173-S175 PolarHBondContact O-N 3.09Å
174	N	28.5	Very low	38.5	Very low	166 Å²	166	116.1 Å²	116.1	89%	0.888	68%	0.682	S	S	*	*			trans	-74.9	48.9	156.6	-136.1	10.2	0	0	0	110.4	S176	N174-S176 PolarHBondContact O-N 3.42Å; N174-S176 VanDerWaalsContact O-N 3.16Å
175	S	29.3	Very low	41.2	Very low	86 Å²	86	117.2 Å²	117.2	60%	0.601	68%	0.678	S	S	*	*			trans	-77.7	84	152.9	176.1	0	0	0	0	104.5	D173 T177	D173-S175 PolarHBondContact O-N 3.09Å; S175-T177 PolarHBondContact O-N 2.7Å
176	S	31	Very low	44.2	Very low	85 Å²	85	115 Å²	115	59%	0.594	66%	0.659	S	S	*	*			trans	-59.2	95.8	164.3	57.6	0	0	0	0	105.9	N174 V178	N174-S176 PolarHBondContact O-N 3.42Å; N174-S176 VanDerWaalsContact O-N 3.16Å; S176-V178 PolarHBondContact O-N 2.88Å
177	T	31.2	Very low	47	Very low	115 Å²	115	114 Å²	114	71%	0.706	65%	0.65	S	S	*	*			trans	-63.7	72.8	162.3	48.2	0	0	0	0	105.8	S175 D179	S175-T177 PolarHBondContact O-N 2.7Å; T177-D179 VanDerWaalsContact C-N 3.26Å; T177-D179 PolarHBondContact O-N 3.15Å
178	V	39.7	Very low	49.9	Very low	90 Å²	90	107.1 Å²	107.1	55%	0.545	63%	0.626	S	S	.	*			trans	-63.2	101.3	164.8	177.6	0	0	0	0	103.3	S176 S180	S176-V178 PolarHBondContact O-N 2.88Å; V178-S180 VanDerWaalsContact C-N 3.3Å; V178-S180 WeakPolarHBondContact O-CA 3.34Å; V178-S180 PolarHBondContact O-N 3.28Å
179	D	40.6	Very low	52.9	Low	112 Å²	112	102.9 Å²	102.9	60%	0.599	59%	0.594	S	S	*	*			trans	-26.5	90.9	-178.4	-85.7	-25	0	0	0	111.2	T177 N181	T177-D179 VanDerWaalsContact C-N 3.26Å; T177-D179 PolarHBondContact O-N 3.15Å; D179-N181 PolarHBondContact O-N 3.27Å; D179-N181 VanDerWaalsContact O-N 3.08Å
180	S	46.7	Very low	55.8	Low	82 Å²	82	100.3 Å²	100.3	57%	0.573	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-1.2	-175	44.9	0	0	0	0	111.5	V178	V178-S180 VanDerWaalsContact C-N 3.3Å; V178-S180 WeakPolarHBondContact O-CA 3.34Å; V178-S180 PolarHBondContact O-N 3.28Å
181	N	54.2	Low	58.9	Low	143 Å²	143	100 Å²	100	77%	0.765	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	-7	-169.1	-75.3	-5.6	0	0	0	114.7	D179 L183	D179-N181 PolarHBondContact O-N 3.27Å; D179-N181 VanDerWaalsContact O-N 3.08Å; N181-L183 PolarHBondContact O-N 3.47Å
182	Q	69.6	Low	62.1	Low	141 Å²	141	99.5 Å²	99.5	66%	0.659	56%	0.562	S	S	*	*			trans	-87.8	93.9	174.2	-64.5	-168.2	33.3	0	0	109.4
183	L	82.9	Confident	65.2	Low	47 Å²	47	95.1 Å²	95.1	25%	0.246	53%	0.531	C	S	.	.	P	Polyproline II helix	trans	-56.4	140.9	163.8	-71.6	-175.7	0	0	0	109.3	N181 K327	N181-L183 PolarHBondContact O-N 3.47Å; L183-K327 HydrophobicContact CD1-CD 4.23Å; L183-K327 HydrophobicContact CD1-CG 3.84Å; L183-K327 HydrophobicContact CD2-CG 4.12Å; L183-K327 HydrophobicContact CG-CG 4.15Å
184	Q	84.9	Confident	68.2	Low	59 Å²	59	89.6 Å²	89.6	28%	0.276	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-66.8	142.8	176	-163.4	170.9	21.9	0	0	110.4	R324 G359 V361 R364	Q184-R324 PolarHBondContact N-O 3.4Å; Q184-R324 VanDerWaalsContact N-O 3.08Å; Q184-G359 PolarHBondContact NE2-O 2.96Å; Q184-G359 PolarHBondContact OE1-O 2.9Å; Q184-G359 VanDerWaalsContact OE1-O 3.09Å; Q184-V361 HydrophobicContact CB-CG2 4.09Å; Q184-R364 VanDerWaalsContact O-CZ 3.26Å; Q184-R364 PolarHBondContact O-NH1 3.31Å; Q184-R364 PolarHBondContact O-NH2 3Å
185	E	84.2	Confident	71.3	Confident	163 Å²	163	85.3 Å²	85.3	76%	0.762	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-62.1	144.5	175.4	-66.6	-176.9	171.4	0	0	111.1
186	E	88.6	Confident	74.4	Confident	91 Å²	91	83.9 Å²	83.9	43%	0.425	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-82	121.8	175.8	-79	165.1	-125.6	0	0	109.7	V361 R364	E186-V361 HydrophobicContact CG-CG1 4.15Å; E186-R364 IonicContact OE1-CZ 3.22Å; E186-R364 IonicContact OE1-NE 2.8Å; E186-R364 PolarHBondContact OE1-NE 2.93Å; E186-R364 IonicContact OE1-NH2 2.89Å; E186-R364 PolarHBondContact OE1-NH2 2.94Å; E186-R364 PolarHBondContact OE2-N 2.68Å
187	T	88.4	Confident	77.4	Confident	79 Å²	79	80 Å²	80	49%	0.485	44%	0.439	S	S	.	.			trans	-84.9	-14.3	179.2	49.2	0	0	0	0	113	V361 L362	T187-V361 PolarHBondContact N-O 2.82Å; T187-V361 VanDerWaalsContact N-O 3.13Å; T187-V361 PolarHBondContact OG1-O 3.19Å; T187-L362 PolarHBondContact N-O 2.51Å; T187-L362 VanDerWaalsContact OG1-CD2 3.3Å; T187-L362 WeakPolarHBondContact OG1-CD2 3.2Å
188	G	87.8	Confident	80.4	Confident	29 Å²	29	78.3 Å²	78.3	30%	0.299	42%	0.423	S	S	.	.			trans	80.1	163	-172.9	0	0	0	0	0	112.7	L362	G188-L362 VanDerWaalsContact CA-O 3.3Å; G188-L362 WeakPolarHBondContact CA-O 3.26Å; G188-L362 PolarHBondContact N-O 2.87Å
189	I	88.1	Confident	83.1	Confident	27 Å²	27	79.7 Å²	79.7	14%	0.138	42%	0.423	C	S	.	.			trans	-91.6	113.7	172.5	-52.7	-179.7	0	0	0	107.2	V193 I194 F353 L362 V363 R406	I189-V193 HydrophobicContact CG2-CB 3.83Å; I189-V193 HydrophobicContact CG2-CG1 3.6Å; I189-I194 HydrophobicContact CG2-CD1 4.24Å; I189-I194 HydrophobicContact CG2-CG1 3.64Å; I189-F353 HydrophobicContact CD1-CD1 3.89Å; I189-F353 HydrophobicContact CD1-CE1 4.29Å; I189-F353 HydrophobicContact CG1-CD1 4.22Å; I189-L362 HydrophobicContact CG1-CB 4.27Å; I189-V363 HydrophobicContact CD1-CG1 4.39Å; I189-V363 HydrophobicContact CD1-CG2 3.9Å; I189-V363 HydrophobicContact CG1-CG1 3.91Å; I189-V363 HydrophobicContact CG1-CG2 4.11Å; I189-R406 HydrophobicContact CD1-CG 4.34Å
190	S	90.4	Very high	85.6	Confident	56 Å²	56	78.1 Å²	78.1	39%	0.392	41%	0.409	S	S	.	.			trans	-73	162.5	176.4	70.7	0	0	0	0	111.6	D192 V193 I194	S190-D192 PolarHBondContact O-N 2.57Å; S190-V193 PolarHBondContact O-N 2.87Å; S190-V193 WeakPolarHBondContact OG-CG2 3.32Å; S190-V193 PolarHBondContact OG-N 3.08Å; S190-I194 WeakPolarHBondContact O-CG1 3.15Å; S190-I194 PolarHBondContact O-N 2.94Å; S190-I194 VanDerWaalsContact O-N 3.11Å
191	E	89.9	Confident	87.9	Confident	147 Å²	147	74.3 Å²	74.3	69%	0.687	38%	0.382	S	S	*	.	H	α-helix	trans	-60.6	-35.3	175.3	-168.5	167.5	-167.9	0	0	111.7	V193 I194 N195	E191-V193 PolarHBondContact O-N 3.17Å; E191-I194 PolarHBondContact O-N 3.49Å; E191-N195 WeakPolarHBondContact O-CB 3.39Å; E191-N195 PolarHBondContact O-N 3.33Å; E191-N195 PolarHBondContact O-ND2 2.79Å
192	D	92	Very high	89.7	Confident	118 Å²	118	71.2 Å²	71.2	63%	0.631	37%	0.372	S	S	*	.	H	α-helix	trans	-62.9	-41.5	175.4	-60.4	-32.1	0	0	0	112.5	S190 N195 T196	S190-D192 PolarHBondContact O-N 2.57Å; D192-N195 PolarHBondContact O-N 3.49Å; D192-T196 WeakPolarHBondContact O-CB 3.28Å; D192-T196 PolarHBondContact O-N 2.88Å; D192-T196 PolarHBondContact O-OG1 3.42Å
193	V	91.9	Very high	90.9	Very high	15 Å²	15	68.2 Å²	68.2	9%	0.091	36%	0.358	C	S	.	.	H	α-helix	trans	-61.3	-50	175.3	172.8	0	0	0	0	108.8	I189 S190 E191 N195 T196 L197 Y341 F353 L362	I189-V193 HydrophobicContact CG2-CB 3.83Å; I189-V193 HydrophobicContact CG2-CG1 3.6Å; S190-V193 PolarHBondContact O-N 2.87Å; S190-V193 WeakPolarHBondContact OG-CG2 3.32Å; S190-V193 PolarHBondContact OG-N 3.08Å; E191-V193 PolarHBondContact O-N 3.17Å; V193-N195 VanDerWaalsContact C-N 3.33Å; V193-N195 PolarHBondContact O-N 3.16Å; V193-T196 WeakPolarHBondContact O-CB 3.41Å; V193-T196 PolarHBondContact O-N 2.8Å; V193-T196 VanDerWaalsContact O-N 3.1Å; V193-L197 HydrophobicContact CG1-CD1 4.41Å; V193-L197 HydrophobicContact CG1-CG 4.34Å; V193-L197 WeakPolarHBondContact O-CG 3.29Å; V193-L197 PolarHBondContact O-N 3.24Å; V193-Y341 HydrophobicContact CG1-CE1 3.89Å; V193-Y341 HydrophobicContact CG1-CE2 4.24Å; V193-Y341 HydrophobicContact CG2-CE1 4.29Å; V193-Y341 WeakPolarHBondContact CG2-OH 3.38Å; V193-F353 HydrophobicContact CG1-CE1 4.31Å; V193-L362 HydrophobicContact CG1-CD1 4.43Å
194	I	92.8	Very high	91.3	Very high	30 Å²	30	67.2 Å²	67.2	15%	0.154	35%	0.353	C	S	.	.	H	α-helix	trans	-57	-46.8	179.6	-67.4	168	0	0	0	111.3	I189 S190 E191 T196 L197 Q198 K404	I189-I194 HydrophobicContact CG2-CD1 4.24Å; I189-I194 HydrophobicContact CG2-CG1 3.64Å; S190-I194 WeakPolarHBondContact O-CG1 3.15Å; S190-I194 PolarHBondContact O-N 2.94Å; S190-I194 VanDerWaalsContact O-N 3.11Å; E191-I194 PolarHBondContact O-N 3.49Å; I194-T196 VanDerWaalsContact C-N 3.3Å; I194-T196 PolarHBondContact O-N 3.06Å; I194-L197 PolarHBondContact O-N 3.11Å; I194-Q198 HydrophobicContact CG2-CG 4.38Å; I194-Q198 WeakPolarHBondContact O-CG 3.31Å; I194-Q198 PolarHBondContact O-N 3.27Å; I194-K404 HydrophobicContact CD1-CG 4.19Å; I194-K404 HydrophobicContact CG1-CG 4.31Å; I194-K404 HydrophobicContact CG2-CD 3.59Å; I194-K404 HydrophobicContact CG2-CG 3.86Å
195	N	94.1	Very high	91.4	Very high	76 Å²	76	66.7 Å²	66.7	41%	0.406	35%	0.354	S	S	.	.	H	α-helix	trans	-60.1	-42.1	178.3	-70.3	-25.1	0	0	0	111	E191 D192 V193 L197 Q198 E199	E191-N195 WeakPolarHBondContact O-CB 3.39Å; E191-N195 PolarHBondContact O-N 3.33Å; E191-N195 PolarHBondContact O-ND2 2.79Å; D192-N195 PolarHBondContact O-N 3.49Å; V193-N195 VanDerWaalsContact C-N 3.33Å; V193-N195 PolarHBondContact O-N 3.16Å; N195-L197 PolarHBondContact O-N 3.47Å; N195-Q198 PolarHBondContact O-N 3.45Å; N195-E199 WeakPolarHBondContact O-CB 3.32Å; N195-E199 PolarHBondContact O-N 3.47Å
196	T	94	Very high	91.6	Very high	57 Å²	57	61.8 Å²	61.8	35%	0.35	34%	0.341	S	S	.	.	H	α-helix	trans	-61.1	-44.5	175.7	-53.6	0	0	0	0	111.7	D192 V193 I194 R200 T338	D192-T196 WeakPolarHBondContact O-CB 3.28Å; D192-T196 PolarHBondContact O-N 2.88Å; D192-T196 PolarHBondContact O-OG1 3.42Å; V193-T196 WeakPolarHBondContact O-CB 3.41Å; V193-T196 PolarHBondContact O-N 2.8Å; V193-T196 VanDerWaalsContact O-N 3.1Å; I194-T196 VanDerWaalsContact C-N 3.3Å; I194-T196 PolarHBondContact O-N 3.06Å; T196-R200 WeakPolarHBondContact O-CB 3.42Å; T196-R200 PolarHBondContact O-N 3.02Å; T196-T338 HydrophobicContact CG2-CG2 4.21Å
197	L	94	Very high	91.5	Very high	4 Å²	4	61.1 Å²	61.1	2%	0.021	34%	0.338	C	S	.	.	H	α-helix	trans	-62.8	-44.7	177.2	-54.2	-176.6	0	0	0	111.1	V193 I194 N195 R200 A201 H336 Y341 F353 L387 V403	V193-L197 HydrophobicContact CG1-CD1 4.41Å; V193-L197 HydrophobicContact CG1-CG 4.34Å; V193-L197 WeakPolarHBondContact O-CG 3.29Å; V193-L197 PolarHBondContact O-N 3.24Å; I194-L197 PolarHBondContact O-N 3.11Å; N195-L197 PolarHBondContact O-N 3.47Å; L197-R200 PolarHBondContact O-N 3.27Å; L197-A201 VanDerWaalsContact O-CB 3.28Å; L197-A201 WeakPolarHBondContact O-CB 3.41Å; L197-A201 PolarHBondContact O-N 3.17Å; L197-H336 WeakPolarHBondContact CD2-CE1 3.14Å; L197-H336 WeakPolarHBondContact CD2-NE2 3.48Å; L197-Y341 HydrophobicContact CD2-CD2 3.67Å; L197-Y341 HydrophobicContact CD2-CE2 3.64Å; L197-F353 HydrophobicContact CD1-CE1 4.31Å; L197-F353 HydrophobicContact CD1-CZ 4.14Å; L197-F353 HydrophobicContact CD2-CZ 4.24Å; L197-L387 HydrophobicContact CB-CD2 4.27Å; L197-V403 HydrophobicContact CD1-CG1 3.9Å
198	Q	94.4	Very high	91.3	Very high	79 Å²	79	60 Å²	60	37%	0.369	32%	0.324	S	S	.	.	H	α-helix	trans	-67.7	-40.2	-179.3	-72.6	-176.3	-32.6	0	0	113.2	I194 N195 A201 S202 L387	I194-Q198 HydrophobicContact CG2-CG 4.38Å; I194-Q198 WeakPolarHBondContact O-CG 3.31Å; I194-Q198 PolarHBondContact O-N 3.27Å; N195-Q198 PolarHBondContact O-N 3.45Å; Q198-A201 PolarHBondContact O-N 2.88Å; Q198-S202 WeakPolarHBondContact O-CB 3.49Å; Q198-S202 PolarHBondContact O-N 3.05Å; Q198-S202 PolarHBondContact O-OG 3.48Å; Q198-L387 HydrophobicContact CG-CD2 4.29Å
199	E	95.5	Very high	91	Very high	119 Å²	119	66 Å²	66	56%	0.556	34%	0.342	S	S	*	.	H	α-helix	trans	-62.9	-48.9	175	-171.4	-176.2	169.1	0	0	110.3	N195 A201 S202 Q203	N195-E199 WeakPolarHBondContact O-CB 3.32Å; N195-E199 PolarHBondContact O-N 3.47Å; E199-A201 VanDerWaalsContact C-N 3.33Å; E199-A201 PolarHBondContact O-N 2.65Å; E199-S202 WeakPolarHBondContact O-CB 3.43Å; E199-S202 PolarHBondContact O-N 3.31Å; E199-S202 VanDerWaalsContact O-N 3.12Å; E199-Q203 WeakPolarHBondContact O-CG 3.26Å; E199-Q203 PolarHBondContact O-N 3.24Å; E199-Q203 PolarHBondContact OE1-NE2 3.39Å
200	R	94.2	Very high	90.8	Very high	78 Å²	78	73 Å²	73	29%	0.294	37%	0.367	S	S	.	.	H	α-helix	trans	-60.7	-43.5	178.1	-172.3	63.1	175.8	153.9	1.9	111.8	T196 L197 S202 Q203 L204 A337 T338	T196-R200 WeakPolarHBondContact O-CB 3.42Å; T196-R200 PolarHBondContact O-N 3.02Å; L197-R200 PolarHBondContact O-N 3.27Å; R200-S202 VanDerWaalsContact C-N 3.29Å; R200-S202 PolarHBondContact O-N 3.34Å; R200-Q203 PolarHBondContact O-N 2.98Å; R200-L204 HydrophobicContact CG-CD1 3.92Å; R200-L204 HydrophobicContact CG-CG 4.39Å; R200-L204 WeakPolarHBondContact O-CB 3.29Å; R200-L204 VanDerWaalsContact O-CG 3.3Å; R200-L204 WeakPolarHBondContact O-CG 3.18Å; R200-L204 PolarHBondContact O-N 3.23Å; R200-A337 PolarHBondContact NE-O 3.26Å; R200-A337 VanDerWaalsContact NE-O 3.16Å; R200-T338 HydrophobicContact CB-CG2 3.75Å; R200-T338 HydrophobicContact CG-CG2 3.72Å
201	A	93.4	Very high	90.2	Very high	3 Å²	3	75.5 Å²	75.5	3%	0.025	37%	0.368	C	S	.	.	H	α-helix	trans	-59.8	-39.9	175.8	0	0	0	0	0	112.2	L197 Q198 E199 T205 D385 L387	L197-A201 VanDerWaalsContact O-CB 3.28Å; L197-A201 WeakPolarHBondContact O-CB 3.41Å; L197-A201 PolarHBondContact O-N 3.17Å; Q198-A201 PolarHBondContact O-N 2.88Å; E199-A201 VanDerWaalsContact C-N 3.33Å; E199-A201 PolarHBondContact O-N 2.65Å; A201-T205 VanDerWaalsContact O-CB 3.27Å; A201-T205 WeakPolarHBondContact O-CB 3.35Å; A201-T205 PolarHBondContact O-N 3.46Å; A201-T205 PolarHBondContact O-OG1 3.05Å; A201-D385 HydrophobicContact CB-CB 4.21Å; A201-D385 VanDerWaalsContact CB-O 3.31Å; A201-D385 WeakPolarHBondContact CB-O 3.45Å; A201-L387 HydrophobicContact CB-CD1 3.61Å; A201-L387 HydrophobicContact CB-CD2 3.88Å; A201-L387 HydrophobicContact CB-CG 3.56Å
202	S	93.6	Very high	89.2	Confident	78 Å²	78	72 Å²	72	55%	0.545	37%	0.371	S	S	.	.	H	α-helix	trans	-66	-43.6	177.8	-60.8	0	0	0	0	111.6	Q198 E199 R200 T205 A206	Q198-S202 WeakPolarHBondContact O-CB 3.49Å; Q198-S202 PolarHBondContact O-N 3.05Å; Q198-S202 PolarHBondContact O-OG 3.48Å; E199-S202 WeakPolarHBondContact O-CB 3.43Å; E199-S202 PolarHBondContact O-N 3.31Å; E199-S202 VanDerWaalsContact O-N 3.12Å; R200-S202 VanDerWaalsContact C-N 3.29Å; R200-S202 PolarHBondContact O-N 3.34Å; S202-T205 PolarHBondContact O-N 3.32Å; S202-A206 PolarHBondContact O-N 2.9Å
203	Q	94	Very high	87.7	Confident	78 Å²	78	75 Å²	75	36%	0.364	38%	0.379	S	S	.	.	H	α-helix	trans	-60.5	-51.5	174.3	-67.4	172.1	9	0	0	111.2	E199 R200 T205 A206 E207	E199-Q203 WeakPolarHBondContact O-CG 3.26Å; E199-Q203 PolarHBondContact O-N 3.24Å; E199-Q203 PolarHBondContact OE1-NE2 3.39Å; R200-Q203 PolarHBondContact O-N 2.98Å; Q203-T205 VanDerWaalsContact C-N 3.3Å; Q203-T205 PolarHBondContact O-N 3.35Å; Q203-A206 WeakPolarHBondContact O-CB 3.38Å; Q203-A206 PolarHBondContact O-N 2.95Å; Q203-A206 VanDerWaalsContact O-N 3.1Å; Q203-E207 WeakPolarHBondContact O-CG 3.46Å; Q203-E207 PolarHBondContact O-N 2.93Å
204	L	90.7	Very high	86.7	Confident	26 Å²	26	79 Å²	79	14%	0.136	40%	0.403	C	S	.	.	H	α-helix	trans	-63.3	-36.4	-179.5	-68.6	171.6	0	0	0	112.2	R200 E207 R208 A337 P384	R200-L204 HydrophobicContact CG-CD1 3.92Å; R200-L204 HydrophobicContact CG-CG 4.39Å; R200-L204 WeakPolarHBondContact O-CB 3.29Å; R200-L204 VanDerWaalsContact O-CG 3.3Å; R200-L204 WeakPolarHBondContact O-CG 3.18Å; R200-L204 PolarHBondContact O-N 3.23Å; L204-E207 PolarHBondContact O-N 3.46Å; L204-R208 VanDerWaalsContact O-CB 3.3Å; L204-R208 WeakPolarHBondContact O-CB 3.34Å; L204-R208 PolarHBondContact O-N 2.79Å; L204-A337 HydrophobicContact CD1-CB 3.5Å; L204-P384 WeakPolarHBondContact CD1-O 3.39Å
205	T	87.3	Confident	85.8	Confident	48 Å²	48	82.5 Å²	82.5	29%	0.294	43%	0.425	S	S	.	.	H	α-helix	trans	-65.3	-40	174.5	-61.8	0	0	0	0	111.6	A201 S202 Q203 K209	A201-T205 VanDerWaalsContact O-CB 3.27Å; A201-T205 WeakPolarHBondContact O-CB 3.35Å; A201-T205 PolarHBondContact O-N 3.46Å; A201-T205 PolarHBondContact O-OG1 3.05Å; S202-T205 PolarHBondContact O-N 3.32Å; Q203-T205 VanDerWaalsContact C-N 3.3Å; Q203-T205 PolarHBondContact O-N 3.35Å; T205-K209 WeakPolarHBondContact O-CG 3.06Å; T205-K209 PolarHBondContact O-N 3.38Å; T205-K209 VanDerWaalsContact O-N 3.09Å
206	A	87.9	Confident	85.3	Confident	59 Å²	59	80.5 Å²	80.5	49%	0.488	42%	0.417	S	S	.	.	H	α-helix	trans	-66.7	-43.6	175.3	0	0	0	0	0	111.7	S202 Q203 R208 K209 R210	S202-A206 PolarHBondContact O-N 2.9Å; Q203-A206 WeakPolarHBondContact O-CB 3.38Å; Q203-A206 PolarHBondContact O-N 2.95Å; Q203-A206 VanDerWaalsContact O-N 3.1Å; A206-R208 PolarHBondContact O-N 3.03Å; A206-K209 PolarHBondContact O-N 2.95Å; A206-R210 PolarHBondContact O-N 3.12Å
207	E	87.5	Confident	84.7	Confident	78 Å²	78	86.8 Å²	86.8	36%	0.364	44%	0.442	S	S	.	.	H	α-helix	trans	-62	-41.5	175.7	-72.8	-179.2	171.5	0	0	112.2	Q203 L204 K209 R210 R211	Q203-E207 WeakPolarHBondContact O-CG 3.46Å; Q203-E207 PolarHBondContact O-N 2.93Å; L204-E207 PolarHBondContact O-N 3.46Å; E207-K209 PolarHBondContact O-N 3.47Å; E207-R210 WeakPolarHBondContact O-CA 3.34Å; E207-R210 WeakPolarHBondContact O-CB 3.44Å; E207-R210 PolarHBondContact O-N 3.34Å; E207-R210 VanDerWaalsContact O-N 3.12Å; E207-R211 WeakPolarHBondContact O-CG 3.31Å; E207-R211 PolarHBondContact O-N 2.87Å
208	R	84.3	Confident	84.4	Confident	55 Å²	55	89.4 Å²	89.4	21%	0.208	47%	0.47	C	S	.	.	H	α-helix	trans	-61.2	-43.5	174.7	-173.5	-174.8	-66.3	134.7	6.5	111.7	L204 A206 R210 R211 G212 E429 N430	L204-R208 VanDerWaalsContact O-CB 3.3Å; L204-R208 WeakPolarHBondContact O-CB 3.34Å; L204-R208 PolarHBondContact O-N 2.79Å; A206-R208 PolarHBondContact O-N 3.03Å; R208-R210 PolarHBondContact O-N 3.4Å; R208-R211 PolarHBondContact O-N 2.89Å; R208-G212 PolarHBondContact O-N 3.46Å; R208-E429 WeakPolarHBondContact CD-O 3.42Å; R208-E429 PolarHBondContact NE-O 2.8Å; R208-N430 WeakPolarHBondContact CD-O 3.39Å
209	K	82	Confident	84.2	Confident	154 Å²	154	86.8 Å²	86.8	67%	0.67	46%	0.459	S	S	*	.	H	α-helix	trans	-62.3	-31.9	175	-74.6	173	176.4	174.7	0	112.2	T205 A206 E207	T205-K209 WeakPolarHBondContact O-CG 3.06Å; T205-K209 PolarHBondContact O-N 3.38Å; T205-K209 VanDerWaalsContact O-N 3.09Å; A206-K209 PolarHBondContact O-N 2.95Å; E207-K209 PolarHBondContact O-N 3.47Å
210	R	82.9	Confident	84.1	Confident	175 Å²	175	81.7 Å²	81.7	66%	0.66	44%	0.436	S	S	*	.	H	α-helix	trans	-72.3	-49.7	174.1	-172.1	178.6	66.1	-174.4	-2.3	111.4	A206 E207 R208 K213	A206-R210 PolarHBondContact O-N 3.12Å; E207-R210 WeakPolarHBondContact O-CA 3.34Å; E207-R210 WeakPolarHBondContact O-CB 3.44Å; E207-R210 PolarHBondContact O-N 3.34Å; E207-R210 VanDerWaalsContact O-N 3.12Å; R208-R210 PolarHBondContact O-N 3.4Å; R210-K213 PolarHBondContact O-N 2.94Å
211	R	77.3	Confident	84	Confident	108 Å²	108	87.8 Å²	87.8	41%	0.408	46%	0.459	S	S	.	.	H	α-helix	trans	-65.9	-36.9	179.7	-69.6	-179.3	78.6	-160.3	2.5	112.7	E207 R208 K213 T214 Q475	E207-R211 WeakPolarHBondContact O-CG 3.31Å; E207-R211 PolarHBondContact O-N 2.87Å; R208-R211 PolarHBondContact O-N 2.89Å; R211-K213 PolarHBondContact O-N 3.16Å; R211-T214 CarbonylContact O-C 3.54Å; R211-T214 PolarHBondContact O-N 3.15Å; R211-Q475 PolarHBondContact NH1-O 2.84Å; R211-Q475 PolarHBondContact NH2-O 3.42Å
212	G	68.9	Low	83.9	Confident	73 Å²	73	89.7 Å²	89.7	75%	0.753	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-13.2	-178.9	0	0	0	0	0	114.9	R208	R208-G212 PolarHBondContact O-N 3.46Å
213	K	61.3	Low	83.9	Confident	183 Å²	183	95.4 Å²	95.4	80%	0.796	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-22.9	173.4	-64.3	-175.9	-179.5	-177.8	0	113.5	R210 R211	R210-K213 PolarHBondContact O-N 2.94Å; R211-K213 PolarHBondContact O-N 3.16Å
214	T	70.3	Confident	83.9	Confident	98 Å²	98	93 Å²	93	60%	0.601	48%	0.475	S	S	*	.	S	Bend	trans	-145.1	123.2	-170.6	50.6	0	0	0	0	111.1	R211	R211-T214 CarbonylContact O-C 3.54Å; R211-T214 PolarHBondContact O-N 3.15Å
215	V	75.4	Confident	84.1	Confident	103 Å²	103	91.7 Å²	91.7	62%	0.624	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-61.3	136.7	170.3	-177.2	0	0	0	0	108.7	E217 L219	V215-E217 PolarHBondContact O-N 2.91Å; V215-L219 HydrophobicContact CG1-CB 3.99Å; V215-L219 HydrophobicContact CG1-CD2 3.38Å; V215-L219 HydrophobicContact CG1-CG 4.32Å
216	P	81.9	Confident	84.5	Confident	34 Å²	34	92 Å²	92	22%	0.221	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-52.7	136.3	177	-26.3	34.8	0	0	0	112.1	G218 L219	P216-G218 PolarHBondContact O-N 3.41Å; P216-L219 WeakPolarHBondContact O-CB 3.06Å; P216-L219 PolarHBondContact O-N 3.38Å
217	E	82.8	Confident	84.8	Confident	189 Å²	189	95.5 Å²	95.5	88%	0.883	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	133.7	172.3	-66	-175.4	177.7	0	0	109.3	V215	V215-E217 PolarHBondContact O-N 2.91Å
218	G	86	Confident	85.3	Confident	59 Å²	59	92.3 Å²	92.3	61%	0.608	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	-2.7	-177.7	0	0	0	0	0	115.7	P216 A220	P216-G218 PolarHBondContact O-N 3.41Å; G218-A220 PolarHBondContact O-N 2.97Å
219	L	91.4	Very high	85.8	Confident	25 Å²	25	96.4 Å²	96.4	13%	0.131	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-55.1	125.8	172.2	-174	72.7	0	0	0	110.4	V215 P216 R221 S476 Y479 A517	V215-L219 HydrophobicContact CG1-CB 3.99Å; V215-L219 HydrophobicContact CG1-CD2 3.38Å; V215-L219 HydrophobicContact CG1-CG 4.32Å; P216-L219 WeakPolarHBondContact O-CB 3.06Å; P216-L219 PolarHBondContact O-N 3.38Å; L219-R221 PolarHBondContact O-N 2.91Å; L219-S476 WeakPolarHBondContact CD2-OG 3.26Å; L219-Y479 HydrophobicContact CD1-CE2 4.25Å; L219-Y479 HydrophobicContact CD2-CE2 4.28Å; L219-Y479 HydrophobicContact CG-CE2 4.24Å; L219-A517 HydrophobicContact CD1-CB 4.24Å
220	A	92.1	Very high	86.5	Confident	11 Å²	11	93.2 Å²	93.2	9%	0.091	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-54.6	131.5	176.1	0	0	0	0	0	110.3	G218 I225 Y228 Y479 N516 A517	G218-A220 PolarHBondContact O-N 2.97Å; A220-I225 HydrophobicContact CB-CD1 4.24Å; A220-I225 HydrophobicContact CB-CG1 4.01Å; A220-Y228 WeakPolarHBondContact CB-OH 3.38Å; A220-Y479 WeakPolarHBondContact O-CE2 3.31Å; A220-Y479 PolarHBondContact O-OH 2.75Å; A220-N516 PolarHBondContact N-O 3.37Å; A220-A517 WeakPolarHBondContact CB-O 3.39Å
221	R	93	Very high	87	Confident	206 Å²	206	89.4 Å²	89.4	78%	0.777	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-76.3	151.8	177	-64.4	-179.2	-178.1	171	1.2	109.4	L219 R223 A224 I225	L219-R221 PolarHBondContact O-N 2.91Å; R221-R223 PolarHBondContact O-N 3.49Å; R221-R223 VanDerWaalsContact O-N 3.13Å; R221-A224 WeakPolarHBondContact O-CA 3.44Å; R221-A224 WeakPolarHBondContact O-CB 3.39Å; R221-A224 PolarHBondContact O-N 2.8Å; R221-I225 PolarHBondContact O-N 2.74Å; R221-I225 VanDerWaalsContact O-N 3.12Å
222	S	92.3	Very high	87.9	Confident	43 Å²	43	85.6 Å²	85.6	30%	0.301	46%	0.456	S	S	.	.	H	α-helix	trans	-53.3	-38.3	178.5	55.6	0	0	0	0	113.6	I225 S226 Y479	S222-I225 PolarHBondContact O-N 2.84Å; S222-S226 PolarHBondContact O-N 3.28Å; S222-S226 PolarHBondContact O-OG 3.42Å; S222-Y479 PolarHBondContact N-OH 3.09Å; S222-Y479 VanDerWaalsContact N-OH 3.14Å
223	R	93	Very high	89.1	Confident	198 Å²	198	85.6 Å²	85.6	75%	0.747	44%	0.439	S	S	*	.	H	α-helix	trans	-63.4	-36.8	174.5	-66.8	-174.6	-173.2	165.1	1.3	113.4	R221 S226 E227	R221-R223 PolarHBondContact O-N 3.49Å; R221-R223 VanDerWaalsContact O-N 3.13Å; R223-S226 WeakPolarHBondContact CA-OG 3.47Å; R223-S226 PolarHBondContact O-OG 3.24Å; R223-E227 WeakPolarHBondContact O-CG 3.46Å; R223-E227 PolarHBondContact O-N 3.15Å
224	A	93.6	Very high	90.8	Very high	27 Å²	27	78 Å²	78	22%	0.223	41%	0.406	C	S	.	.	H	α-helix	trans	-68.2	-43.4	176.8	0	0	0	0	0	110.3	R221 S226 E227 Y228 T534	R221-A224 WeakPolarHBondContact O-CA 3.44Å; R221-A224 WeakPolarHBondContact O-CB 3.39Å; R221-A224 PolarHBondContact O-N 2.8Å; A224-S226 VanDerWaalsContact C-N 3.3Å; A224-S226 PolarHBondContact O-N 2.84Å; A224-E227 CarbonylContact O-C 3.58Å; A224-E227 WeakPolarHBondContact O-CA 3.45Å; A224-E227 PolarHBondContact O-N 2.72Å; A224-Y228 HydrophobicContact CB-CE1 4.49Å; A224-Y228 WeakPolarHBondContact O-CD1 3.37Å; A224-Y228 WeakPolarHBondContact O-CE1 3.4Å; A224-Y228 PolarHBondContact O-N 3.07Å; A224-T534 HydrophobicContact CB-CG2 4.43Å; A224-T534 WeakPolarHBondContact O-CG2 3.09Å
225	I	94.7	Very high	91.9	Very high	0 Å²	0	77.9 Å²	77.9	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-61.7	-37.8	177.5	-62.1	176.1	0	0	0	111.8	A220 R221 S222 E227 Y228 Y479 V489 L498 I499	A220-I225 HydrophobicContact CB-CD1 4.24Å; A220-I225 HydrophobicContact CB-CG1 4.01Å; R221-I225 PolarHBondContact O-N 2.74Å; R221-I225 VanDerWaalsContact O-N 3.12Å; S222-I225 PolarHBondContact O-N 2.84Å; I225-E227 PolarHBondContact O-N 2.74Å; I225-Y228 HydrophobicContact CB-CE2 4.25Å; I225-Y228 HydrophobicContact CG1-CE1 4.29Å; I225-Y228 HydrophobicContact CG1-CE2 3.87Å; I225-Y228 HydrophobicContact CG2-CD2 4.23Å; I225-Y228 HydrophobicContact CG2-CE2 4.22Å; I225-Y228 WeakPolarHBondContact O-CB 3.3Å; I225-Y228 PolarHBondContact O-N 3.05Å; I225-Y479 HydrophobicContact CD1-CD1 3.73Å; I225-Y479 HydrophobicContact CD1-CD2 3.72Å; I225-Y479 HydrophobicContact CD1-CE1 3.48Å; I225-Y479 VanDerWaalsContact CD1-CE1 3.48Å; I225-Y479 HydrophobicContact CD1-CE2 3.44Å; I225-Y479 VanDerWaalsContact CD1-CE2 3.44Å; I225-Y479 HydrophobicContact CD1-CG 3.85Å; I225-V489 HydrophobicContact CG2-CB 4.17Å; I225-V489 HydrophobicContact CG2-CG1 3.89Å; I225-L498 HydrophobicContact CB-CD1 4.18Å; I225-L498 HydrophobicContact CD1-CD1 4.49Å; I225-L498 HydrophobicContact CG2-CB 4.3Å; I225-L498 HydrophobicContact CG2-CD1 4.05Å; I225-I499 HydrophobicContact CG2-CG2 4.17Å
226	S	95	Very high	92.6	Very high	54 Å²	54	75.9 Å²	75.9	38%	0.378	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-15.1	174.7	55.2	0	0	0	0	114.1	S222 R223 A224 L498	S222-S226 PolarHBondContact O-N 3.28Å; S222-S226 PolarHBondContact O-OG 3.42Å; R223-S226 WeakPolarHBondContact CA-OG 3.47Å; R223-S226 PolarHBondContact O-OG 3.24Å; A224-S226 VanDerWaalsContact C-N 3.3Å; A224-S226 PolarHBondContact O-N 2.84Å; S226-L498 WeakPolarHBondContact CB-O 3.35Å
227	E	95.5	Very high	93.1	Very high	132 Å²	132	75 Å²	75	62%	0.617	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	5.2	178.5	-68	172.3	-171.7	0	0	112.5	R223 A224 I225 Q229 T534	R223-E227 WeakPolarHBondContact O-CG 3.46Å; R223-E227 PolarHBondContact O-N 3.15Å; A224-E227 CarbonylContact O-C 3.58Å; A224-E227 WeakPolarHBondContact O-CA 3.45Å; A224-E227 PolarHBondContact O-N 2.72Å; I225-E227 PolarHBondContact O-N 2.74Å; E227-Q229 PolarHBondContact O-N 3.06Å; E227-T534 HydrophobicContact CB-CG2 4.44Å
228	Y	97.6	Very high	93.7	Very high	11 Å²	11	66.3 Å²	66.3	4%	0.043	36%	0.359	C	S	.	.			trans	-59.4	137.8	-179.4	-78.6	3.9	0	0	0	112.4	A220 A224 I225 I499 F501 A517 T518 V520 G533 T534	A220-Y228 WeakPolarHBondContact CB-OH 3.38Å; A224-Y228 HydrophobicContact CB-CE1 4.49Å; A224-Y228 WeakPolarHBondContact O-CD1 3.37Å; A224-Y228 WeakPolarHBondContact O-CE1 3.4Å; A224-Y228 PolarHBondContact O-N 3.07Å; I225-Y228 HydrophobicContact CB-CE2 4.25Å; I225-Y228 HydrophobicContact CG1-CE1 4.29Å; I225-Y228 HydrophobicContact CG1-CE2 3.87Å; I225-Y228 HydrophobicContact CG2-CD2 4.23Å; I225-Y228 HydrophobicContact CG2-CE2 4.22Å; I225-Y228 WeakPolarHBondContact O-CB 3.3Å; I225-Y228 PolarHBondContact O-N 3.05Å; Y228-I499 WeakPolarHBondContact O-CD1 3.14Å; Y228-F501 HydrophobicContact CD2-CZ 4.31Å; Y228-F501 HydrophobicContact CG-CZ 4.49Å; Y228-A517 PolarHBondContact OH-O 2.93Å; Y228-T518 WeakPolarHBondContact OH-CA 3.28Å; Y228-T518 PolarHBondContact OH-O 3.22Å; Y228-T518 VanDerWaalsContact OH-O 3.07Å; Y228-V520 HydrophobicContact CD2-CG2 4.35Å; Y228-V520 HydrophobicContact CE2-CG2 4.21Å; Y228-G533 WeakPolarHBondContact CA-O 3.27Å; Y228-G533 VanDerWaalsContact CD1-C 3.49Å; Y228-T534 HydrophobicContact CD1-CG2 3.59Å; Y228-T534 HydrophobicContact CE1-CG2 3.78Å
229	Q	95.7	Very high	94.1	Very high	142 Å²	142	65.6 Å²	65.6	66%	0.664	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.3	162.4	176.4	-60.3	-173.5	-0.4	0	0	109.8	E227 L231 F532 G533	E227-Q229 PolarHBondContact O-N 3.06Å; Q229-L231 PolarHBondContact O-N 2.97Å; Q229-L231 VanDerWaalsContact O-N 3.15Å; Q229-F532 CarbonylContact O-C 3.47Å; Q229-F532 WeakPolarHBondContact O-CA 3.37Å; Q229-G533 PolarHBondContact N-O 3.06Å; Q229-G533 PolarHBondContact O-N 3.45Å
230	Q	95.1	Very high	94.1	Very high	87 Å²	87	67.9 Å²	67.9	41%	0.407	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	108.4	174.6	-168.7	-164.7	-86.6	0	0	109.3	V531 F532	Q230-V531 CarbonylContact C-O 3.55Å; Q230-F532 HydrophobicContact CB-CD1 3.93Å; Q230-F532 HydrophobicContact CB-CE1 3.88Å; Q230-F532 HydrophobicContact CG-CD1 4.24Å; Q230-F532 HydrophobicContact CG-CE1 3.94Å
231	L	94.7	Very high	94.1	Very high	95 Å²	95	72 Å²	72	50%	0.497	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-40.4	177.8	-60.7	-179.9	0	0	0	111.5	Q229 T519 V531	Q229-L231 PolarHBondContact O-N 2.97Å; Q229-L231 VanDerWaalsContact O-N 3.15Å; L231-T519 HydrophobicContact CD1-CG2 4.47Å; L231-V531 PolarHBondContact N-O 3.04Å
232	A	94.8	Very high	94.1	Very high	27 Å²	27	66.9 Å²	66.9	22%	0.223	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	155	-176.7	0	0	0	0	0	112.8	H234 K530 V531	A232-H234 WeakPolarHBondContact CB-NE2 3.38Å; A232-K530 WeakPolarHBondContact O-CA 3.37Å; A232-V531 HydrophobicContact CB-CB 4.15Å; A232-V531 HydrophobicContact CB-CG2 4.17Å; A232-V531 PolarHBondContact N-O 3.14Å; A232-V531 PolarHBondContact O-N 3.47Å; A232-V531 VanDerWaalsContact O-N 3.11Å
233	N	95.9	Very high	94.1	Very high	73 Å²	73	68 Å²	68	39%	0.39	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	93.9	176.7	177.4	57.6	0	0	0	109.5	K530	N233-K530 PolarHBondContact OD1-NZ 3.14Å
234	H	95.9	Very high	94.2	Very high	23 Å²	23	58.5 Å²	58.5	11%	0.106	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	124.2	179.1	-53.7	-77.2	0	0	0	109.5	A232 F270 S275 S528 V529	A232-H234 WeakPolarHBondContact CB-NE2 3.38Å; H234-F270 HydrophobicContact CB-CE1 4.18Å; H234-F270 HydrophobicContact CB-CZ 4.33Å; H234-F270 AromaticContact CE1-CE1 3.97Å; H234-F270 AromaticContact CG-CE1 3.71Å; H234-F270 AromaticContact ND1-CE1 3.62Å; H234-F270 AromaticContact ND1-CZ 3.64Å; H234-S275 PolarHBondContact CE1-OG 3.39Å; H234-S528 CarbonylContact O-C 3.59Å; H234-S528 VanDerWaalsContact O-CA 3.3Å; H234-S528 WeakPolarHBondContact O-CA 3.29Å; H234-V529 HydrophobicContact CB-CB 4.44Å; H234-V529 PolarHBondContact N-O 3.43Å; H234-V529 PolarHBondContact O-N 2.92Å
235	V	93.4	Very high	94.4	Very high	96 Å²	96	57.2 Å²	57.2	58%	0.582	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125	161.3	179.1	-66.3	0	0	0	0	109.6
236	G	89.7	Confident	94.5	Very high	62 Å²	62	58.5 Å²	58.5	64%	0.639	35%	0.348	S	S	*	.			trans	79.2	15.8	175.3	0	0	0	0	0	114.8	H238	G236-H238 VanDerWaalsContact C-N 3.29Å
237	L	93.2	Very high	94.6	Very high	14 Å²	14	56.4 Å²	56.4	7%	0.073	33%	0.333	C	S	.	.	S	Bend	trans	-65	-35.6	171.7	-59.6	-178	0	0	0	111.8	T260 V268 F270 V277 V529	L237-T260 HydrophobicContact CD1-CG2 4.35Å; L237-V268 HydrophobicContact CB-CG1 4.47Å; L237-V268 WeakPolarHBondContact O-CG2 3.27Å; L237-F270 HydrophobicContact CD1-CG 4.48Å; L237-F270 HydrophobicContact CD2-CB 4.24Å; L237-F270 HydrophobicContact CD2-CD1 4.35Å; L237-F270 HydrophobicContact CD2-CD2 3.33Å; L237-F270 HydrophobicContact CD2-CE2 3.62Å; L237-F270 HydrophobicContact CD2-CG 3.73Å; L237-F270 HydrophobicContact CD2-CZ 4.23Å; L237-V277 HydrophobicContact CD2-CG2 4.25Å; L237-V529 HydrophobicContact CD1-CB 4.24Å; L237-V529 HydrophobicContact CD1-CG2 3.58Å
238	H	96.1	Very high	94.8	Very high	8 Å²	8	50.2 Å²	50.2	4%	0.037	30%	0.304	C	S	.	.	S	Bend	trans	-118.3	162.8	-179.9	-72.2	-80.5	0	0	0	111.9	G236 A240 T260 G262 D264 T266	G236-H238 VanDerWaalsContact C-N 3.29Å; H238-A240 PolarHBondContact O-N 3.27Å; H238-T260 WeakPolarHBondContact NE2-CB 3.5Å; H238-T260 PolarHBondContact NE2-O 3.04Å; H238-T260 PolarHBondContact NE2-OG1 2.76Å; H238-G262 PolarHBondContact CE1-N 3.39Å; H238-G262 VanDerWaalsContact CE1-N 3.34Å; H238-D264 WeakPolarHBondContact CA-OD2 3.19Å; H238-D264 WeakPolarHBondContact CB-OD2 3.32Å; H238-D264 IonicContact CE1-OD1 2.94Å; H238-D264 IonicContact CG-OD2 3.56Å; H238-D264 IonicContact ND1-OD1 3.86Å; H238-D264 PolarHBondContact ND1-OD1 3.31Å; H238-D264 IonicContact ND1-OD2 3.28Å; H238-D264 PolarHBondContact ND1-OD2 2.95Å; H238-T266 PolarHBondContact CE1-O 3.47Å; H238-T266 PolarHBondContact ND1-OG1 3.44Å
239	S	93.2	Very high	94.8	Very high	43 Å²	43	50.7 Å²	50.7	30%	0.301	31%	0.307	S	S	.	.			trans	-51.7	135.9	-176.8	-177.7	0	0	0	0	112.9	S241 M242 D264	S239-S241 VanDerWaalsContact C-N 3.3Å; S239-S241 PolarHBondContact O-N 2.87Å; S239-S241 PolarHBondContact OG-N 3.21Å; S239-S241 PolarHBondContact OG-OG 2.89Å; S239-M242 CarbonylContact O-C 3.6Å; S239-D264 PolarHBondContact N-OD2 3.11Å
240	A	91.3	Very high	94.8	Very high	74 Å²	74	44.7 Å²	44.7	61%	0.612	28%	0.28	S	S	*	.	S	Bend	trans	-69.7	-28.7	173.6	0	0	0	0	0	113	H238 R527	H238-A240 PolarHBondContact O-N 3.27Å; A240-R527 PolarHBondContact O-NH1 2.82Å
241	S	93.2	Very high	94.8	Very high	97 Å²	97	40.6 Å²	40.6	68%	0.678	26%	0.261	S	S	*	.	S	Bend	trans	-77.5	-26.3	-178.3	67.7	0	0	0	0	113.5	S239 P243	S239-S241 VanDerWaalsContact C-N 3.3Å; S239-S241 PolarHBondContact O-N 2.87Å; S239-S241 PolarHBondContact OG-N 3.21Å; S239-S241 PolarHBondContact OG-OG 2.89Å; S241-P243 VanDerWaalsContact C-CD 3.46Å; S241-P243 WeakPolarHBondContact O-CD 3.41Å
242	M	93.2	Very high	94.7	Very high	99 Å²	99	42.6 Å²	42.6	49%	0.488	27%	0.265	S	S	.	.	S	Bend	trans	-124.2	69.3	177.8	-67.2	-66.6	-69.8	0	0	108.5	S239 D264	S239-M242 CarbonylContact O-C 3.6Å; M242-D264 HydrophobicContact CB-CB 4.07Å
243	P	91.2	Very high	94.4	Very high	65 Å²	65	44.9 Å²	44.9	42%	0.422	28%	0.276	S	S	.	.			trans	-67.8	143.3	-170.7	29	-36.2	0	0	0	112.3	S241 N263 R527	S241-P243 VanDerWaalsContact C-CD 3.46Å; S241-P243 WeakPolarHBondContact O-CD 3.41Å; P243-N263 PolarHBondContact O-ND2 2.88Å; P243-R527 HydrophobicContact CB-CG 3.7Å
244	G	94.4	Very high	94.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	27%	0.272	C	S	.	.			trans	130.9	130.4	163.1	0	0	0	0	0	112.7	G262 N263 R525	G244-G262 WeakPolarHBondContact O-CA 3.41Å; G244-N263 PolarHBondContact O-N 2.79Å; G244-R525 VanDerWaalsContact CA-O 3.3Å; G244-R525 WeakPolarHBondContact CA-O 3.33Å
245	I	98.1	Very high	93.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	135.1	165.5	-57.1	166.7	0	0	0	106.7	C247 T260 T509 A523 S524 V529	I245-C247 VanDerWaalsContact CG2-O 3.29Å; I245-C247 WeakPolarHBondContact CG2-O 3.28Å; I245-T260 HydrophobicContact CD1-CG2 4.41Å; I245-T260 HydrophobicContact CG2-CG2 4.13Å; I245-T509 WeakPolarHBondContact O-CG2 3.15Å; I245-T509 PolarHBondContact O-OG1 2.95Å; I245-A523 HydrophobicContact CB-CB 4.21Å; I245-A523 HydrophobicContact CD1-CB 4.24Å; I245-A523 HydrophobicContact CG2-CB 3.66Å; I245-S524 WeakPolarHBondContact CB-O 3.36Å; I245-S524 PolarHBondContact N-O 2.92Å; I245-V529 HydrophobicContact CD1-CG2 3.75Å
246	N	97.6	Very high	93.7	Very high	27 Å²	27	44.5 Å²	44.5	14%	0.144	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-23.5	-178.7	-65.7	-53.6	0	0	0	112.8	G261 N263 V288 T509	N246-G261 PolarHBondContact N-O 3.23Å; N246-N263 PolarHBondContact ND2-OD1 2.82Å; N246-N263 PolarHBondContact OD1-OD1 2.88Å; N246-V288 WeakPolarHBondContact CB-O 3.29Å; N246-V288 PolarHBondContact ND2-O 3.24Å; N246-T509 WeakPolarHBondContact O-CB 3.49Å
247	C	97.7	Very high	94	Very high	10 Å²	10	44 Å²	44	7%	0.068	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	156.6	-174.3	50	0	0	0	0	110.3	I245 T260 G261 T289 V291	I245-C247 VanDerWaalsContact CG2-O 3.29Å; I245-C247 WeakPolarHBondContact CG2-O 3.28Å; C247-T260 WeakPolarHBondContact O-CA 3.48Å; C247-G261 PolarHBondContact O-N 3.19Å; C247-T289 PolarHBondContact SG-O 2.67Å; C247-T289 VanDerWaalsContact SG-O 3.39Å; C247-V291 HydrophobicContact CB-CG2 4Å
248	L	97.9	Very high	94.2	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	141.2	-177.4	169.2	70.9	0	0	0	108.5	I258 V259 T260 R512 I521 A523	L248-I258 HydrophobicContact CD1-CB 3.93Å; L248-I258 HydrophobicContact CD1-CD1 3.94Å; L248-I258 HydrophobicContact CD1-CG1 4.45Å; L248-I258 HydrophobicContact CD1-CG2 4.34Å; L248-V259 CarbonylContact C-O 3.57Å; L248-V259 WeakPolarHBondContact CA-O 3.48Å; L248-T260 HydrophobicContact CD1-CG2 3.81Å; L248-R512 HydrophobicContact CG-CG 4.43Å; L248-R512 PolarHBondContact O-NH2 3.03Å; L248-I521 HydrophobicContact CD2-CB 4.35Å; L248-I521 HydrophobicContact CD2-CG2 3.85Å; L248-A523 HydrophobicContact CB-CB 3.83Å; L248-A523 HydrophobicContact CD2-CB 4.16Å; L248-A523 HydrophobicContact CG-CB 4.43Å
249	D	97.9	Very high	94.3	Very high	21 Å²	21	43 Å²	43	11%	0.112	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	161.2	163.6	-157.3	26.2	0	0	0	111.5	I258 V259 V291 V292 Y293 R512	D249-I258 CarbonylContact O-C 3.45Å; D249-I258 WeakPolarHBondContact O-CA 3.3Å; D249-V259 HydrophobicContact CB-CG1 3.83Å; D249-V259 PolarHBondContact N-O 2.84Å; D249-V259 PolarHBondContact O-N 3.08Å; D249-V291 HydrophobicContact CB-CG2 4.18Å; D249-V292 VanDerWaalsContact OD2-CA 3.29Å; D249-V292 WeakPolarHBondContact OD2-CA 3.39Å; D249-Y293 PolarHBondContact OD2-N 3.07Å; D249-R512 IonicContact OD1-CZ 3.71Å; D249-R512 IonicContact OD1-NE 2.86Å; D249-R512 PolarHBondContact OD1-NE 2.9Å
250	I	96.8	Very high	94.6	Very high	16 Å²	16	40.9 Å²	40.9	8%	0.082	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	143.2	-176.3	-175.9	161.6	0	0	0	110.9	P255 I258 R512 I521	I250-P255 HydrophobicContact CD1-CB 4.08Å; I250-P255 WeakPolarHBondContact CD1-O 3.4Å; I250-I258 HydrophobicContact CB-CG2 4.37Å; I250-I258 HydrophobicContact CG1-CG2 4.29Å; I250-R512 HydrophobicContact CB-CB 4.29Å; I250-R512 HydrophobicContact CG2-CB 3.81Å; I250-R512 HydrophobicContact CG2-CG 4.06Å; I250-I521 HydrophobicContact CD1-CD1 3.58Å
251	S	95.3	Very high	94.9	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.007	21%	0.205	C	C	.	.			trans	-72.4	131.6	172.1	173.5	0	0	0	0	110.9	T253 S254 P255 R257	S251-T253 PolarHBondContact OG-N 2.95Å; S251-T253 PolarHBondContact OG-OG1 2.93Å; S251-T253 VanDerWaalsContact OG-OG1 3.07Å; S251-S254 WeakPolarHBondContact CB-O 3.27Å; S251-S254 CarbonylContact O-C 3.44Å; S251-S254 PolarHBondContact OG-N 2.82Å; S251-P255 WeakPolarHBondContact O-CA 3.31Å; S251-R257 PolarHBondContact N-O 2.97Å
252	K	91.1	Very high	95.2	Very high	136 Å²	136	32.8 Å²	32.8	59%	0.591	17%	0.172	S	C	*	.	S	Bend	trans	-76.7	-26	177.4	-60.9	-170.5	-177.4	-176.2	0	113	P295	K252-P295 HydrophobicContact CD-CB 4.02Å
253	T	90.3	Very high	95.4	Very high	75 Å²	75	30 Å²	30	46%	0.46	16%	0.159	S	C	.	.	S	Bend	trans	-84.7	-28.4	178	46.3	0	0	0	0	112.8	S251	S251-T253 PolarHBondContact OG-N 2.95Å; S251-T253 PolarHBondContact OG-OG1 2.93Å; S251-T253 VanDerWaalsContact OG-OG1 3.07Å
254	S	90.6	Very high	95.7	Very high	44 Å²	44	28.3 Å²	28.3	31%	0.308	15%	0.147	S	C	.	.			trans	-138.4	85.8	179.7	-68.9	0	0	0	0	108.4	S251 E256 R257	S251-S254 WeakPolarHBondContact CB-O 3.27Å; S251-S254 CarbonylContact O-C 3.44Å; S251-S254 PolarHBondContact OG-N 2.82Å; S254-E256 PolarHBondContact O-N 2.7Å; S254-R257 WeakPolarHBondContact O-CB 3.46Å; S254-R257 PolarHBondContact O-N 3.1Å
255	P	88.5	Confident	95.8	Very high	42 Å²	42	33 Å²	33	27%	0.273	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-11.3	-173.1	26	-34.9	0	0	0	114	I250 S251 R257 E515	I250-P255 HydrophobicContact CD1-CB 4.08Å; I250-P255 WeakPolarHBondContact CD1-O 3.4Å; S251-P255 WeakPolarHBondContact O-CA 3.31Å; P255-R257 VanDerWaalsContact C-N 3.28Å; P255-E515 HydrophobicContact CB-CB 4.45Å; P255-E515 HydrophobicContact CG-CB 4.25Å
256	E	91.3	Very high	95.8	Very high	98 Å²	98	33.7 Å²	33.7	46%	0.458	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-22.7	169.7	-60	-83.8	-173.6	0	0	112.1	S254 L272 S273	S254-E256 PolarHBondContact O-N 2.7Å; E256-L272 WeakPolarHBondContact O-CB 3.44Å; E256-L272 WeakPolarHBondContact O-CG 3.28Å; E256-L272 PolarHBondContact O-N 3.2Å; E256-S273 VanDerWaalsContact CD-CB 3.49Å; E256-S273 WeakPolarHBondContact OE2-CA 3.39Å; E256-S273 WeakPolarHBondContact OE2-CB 3.47Å; E256-S273 PolarHBondContact OE2-N 2.99Å; E256-S273 VanDerWaalsContact OE2-N 3.14Å
257	R	95.8	Very high	95.9	Very high	52 Å²	52	32.4 Å²	32.4	20%	0.196	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	129.2	-179.3	-65.6	-175.7	177.4	-157.9	-6.7	111.2	S251 S254 P255 F270 I278 Y293 E298 E315	S251-R257 PolarHBondContact N-O 2.97Å; S254-R257 WeakPolarHBondContact O-CB 3.46Å; S254-R257 PolarHBondContact O-N 3.1Å; P255-R257 VanDerWaalsContact C-N 3.28Å; R257-F270 WeakPolarHBondContact CA-O 3.37Å; R257-I278 HydrophobicContact CG-CD1 3.85Å; R257-Y293 HydrophobicContact CB-CE2 4.46Å; R257-E298 IonicContact CZ-OE2 3.54Å; R257-E298 VanDerWaalsContact NH1-CD 3.27Å; R257-E298 IonicContact NH1-OE1 3.62Å; R257-E298 IonicContact NH1-OE2 2.76Å; R257-E298 PolarHBondContact NH1-OE2 2.87Å; R257-E315 IonicContact CZ-OE1 3.51Å; R257-E315 IonicContact NH1-OE1 2.81Å; R257-E315 PolarHBondContact NH1-OE1 3.28Å; R257-E315 IonicContact NH2-OE1 3.66Å; R257-E315 PolarHBondContact NH2-OE1 2.86Å
258	I	97.6	Very high	95.9	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	160.5	175.9	62.6	167.8	0	0	0	111.1	L248 D249 I250 T260 V269 F270 L272 I521 V529	L248-I258 HydrophobicContact CD1-CB 3.93Å; L248-I258 HydrophobicContact CD1-CD1 3.94Å; L248-I258 HydrophobicContact CD1-CG1 4.45Å; L248-I258 HydrophobicContact CD1-CG2 4.34Å; D249-I258 CarbonylContact O-C 3.45Å; D249-I258 WeakPolarHBondContact O-CA 3.3Å; I250-I258 HydrophobicContact CB-CG2 4.37Å; I250-I258 HydrophobicContact CG1-CG2 4.29Å; I258-T260 HydrophobicContact CD1-CG2 4.41Å; I258-V269 CarbonylContact O-C 3.54Å; I258-V269 WeakPolarHBondContact O-CA 3.4Å; I258-F270 HydrophobicContact CD1-CB 4.47Å; I258-F270 HydrophobicContact CD1-CD1 4.27Å; I258-F270 HydrophobicContact CG1-CB 3.99Å; I258-F270 HydrophobicContact CG1-CD1 4.32Å; I258-F270 PolarHBondContact N-O 3.21Å; I258-F270 PolarHBondContact O-N 2.91Å; I258-L272 HydrophobicContact CD1-CD2 3.98Å; I258-L272 HydrophobicContact CD1-CG 4.42Å; I258-L272 HydrophobicContact CG1-CG 4.46Å; I258-L272 HydrophobicContact CG2-CD1 3.87Å; I258-L272 HydrophobicContact CG2-CG 4.35Å; I258-I521 HydrophobicContact CG2-CD1 4.16Å; I258-V529 HydrophobicContact CD1-CB 4.4Å; I258-V529 HydrophobicContact CD1-CG1 3.69Å; I258-V529 HydrophobicContact CD1-CG2 4.23Å
259	V	98.4	Very high	95.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	133.9	168.2	61	0	0	0	0	110.5	L248 D249 A267 V268 V269 V291 Y293 V300	L248-V259 CarbonylContact C-O 3.57Å; L248-V259 WeakPolarHBondContact CA-O 3.48Å; D249-V259 HydrophobicContact CB-CG1 3.83Å; D249-V259 PolarHBondContact N-O 2.84Å; D249-V259 PolarHBondContact O-N 3.08Å; V259-A267 HydrophobicContact CG2-CB 4.28Å; V259-V268 CarbonylContact C-O 3.55Å; V259-V268 VanDerWaalsContact CA-O 3.28Å; V259-V268 WeakPolarHBondContact CA-O 3.39Å; V259-V269 HydrophobicContact CB-CG2 4.45Å; V259-V269 HydrophobicContact CG2-CG2 4.26Å; V259-V291 HydrophobicContact CG1-CB 4.05Å; V259-V291 HydrophobicContact CG1-CG2 4.02Å; V259-V291 HydrophobicContact CG2-CB 4.28Å; V259-V291 HydrophobicContact CG2-CG1 4.26Å; V259-Y293 HydrophobicContact CB-CD2 4.08Å; V259-Y293 HydrophobicContact CG1-CD2 3.87Å; V259-V300 HydrophobicContact CB-CG2 4.3Å; V259-V300 HydrophobicContact CG1-CG2 4.49Å; V259-V300 HydrophobicContact CG2-CG1 3.77Å; V259-V300 HydrophobicContact CG2-CG2 4.3Å
260	T	98.6	Very high	95.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	142.3	174.7	55.6	0	0	0	0	111.4	L237 H238 I245 C247 L248 I258 A267 V268 V529	L237-T260 HydrophobicContact CD1-CG2 4.35Å; H238-T260 WeakPolarHBondContact NE2-CB 3.5Å; H238-T260 PolarHBondContact NE2-O 3.04Å; H238-T260 PolarHBondContact NE2-OG1 2.76Å; I245-T260 HydrophobicContact CD1-CG2 4.41Å; I245-T260 HydrophobicContact CG2-CG2 4.13Å; C247-T260 WeakPolarHBondContact O-CA 3.48Å; L248-T260 HydrophobicContact CD1-CG2 3.81Å; I258-T260 HydrophobicContact CD1-CG2 4.41Å; T260-A267 CarbonylContact O-C 3.42Å; T260-A267 WeakPolarHBondContact O-CA 3.33Å; T260-V268 PolarHBondContact N-O 3.44Å; T260-V268 PolarHBondContact O-N 2.89Å; T260-V529 HydrophobicContact CG2-CG2 3.71Å
261	G	98.5	Very high	95.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	129.5	173.3	0	0	0	0	0	112	N246 C247	N246-G261 PolarHBondContact N-O 3.23Å; C247-G261 PolarHBondContact O-N 3.19Å
262	G	98	Very high	95.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	163.5	-170.3	0	0	0	0	0	116.3	H238 G244 D264 K265 T266 K287 V288	H238-G262 PolarHBondContact CE1-N 3.39Å; H238-G262 VanDerWaalsContact CE1-N 3.34Å; G244-G262 WeakPolarHBondContact O-CA 3.41Å; G262-D264 PolarHBondContact O-N 2.91Å; G262-K265 PolarHBondContact O-N 2.56Å; G262-T266 PolarHBondContact N-O 2.89Å; G262-K287 WeakPolarHBondContact O-CA 3.41Å; G262-V288 PolarHBondContact O-N 3.12Å
263	N	97.8	Very high	95.9	Very high	40 Å²	40	29.3 Å²	29.3	21%	0.214	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-20.1	169.1	-79.7	-24.8	0	0	0	113.6	P243 G244 N246 K265 K287	P243-N263 PolarHBondContact O-ND2 2.88Å; G244-N263 PolarHBondContact O-N 2.79Å; N246-N263 PolarHBondContact ND2-OD1 2.82Å; N246-N263 PolarHBondContact OD1-OD1 2.88Å; N263-K265 PolarHBondContact O-N 2.8Å; N263-K287 WeakPolarHBondContact OD1-CD 3.4Å
264	D	97.1	Very high	96.1	Very high	30 Å²	30	29.2 Å²	29.2	16%	0.16	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	9.5	175.9	66.4	2.9	0	0	0	114.2	H238 S239 M242 G262 T266	H238-D264 WeakPolarHBondContact CA-OD2 3.19Å; H238-D264 WeakPolarHBondContact CB-OD2 3.32Å; H238-D264 IonicContact CE1-OD1 2.94Å; H238-D264 IonicContact CG-OD2 3.56Å; H238-D264 IonicContact ND1-OD1 3.86Å; H238-D264 PolarHBondContact ND1-OD1 3.31Å; H238-D264 IonicContact ND1-OD2 3.28Å; H238-D264 PolarHBondContact ND1-OD2 2.95Å; S239-D264 PolarHBondContact N-OD2 3.11Å; M242-D264 HydrophobicContact CB-CB 4.07Å; G262-D264 PolarHBondContact O-N 2.91Å; D264-T266 PolarHBondContact O-N 3.2Å; D264-T266 PolarHBondContact OD1-N 3.1Å; D264-T266 VanDerWaalsContact OD1-N 3.07Å; D264-T266 PolarHBondContact OD1-OG1 3.42Å; D264-T266 PolarHBondContact OD2-OG1 3.2Å
265	K	97.9	Very high	96.2	Very high	98 Å²	98	30 Å²	30	43%	0.426	16%	0.164	S	C	.	.	S	Bend	trans	71.1	14.7	177.1	-40.7	173.3	179.8	-172.7	0	113.8	G262 N263 N285 K286	G262-K265 PolarHBondContact O-N 2.56Å; N263-K265 PolarHBondContact O-N 2.8Å; K265-N285 WeakPolarHBondContact CD-O 3.43Å; K265-N285 VanDerWaalsContact CE-O 3.32Å; K265-N285 WeakPolarHBondContact CE-O 3.23Å; K265-N285 PolarHBondContact NZ-O 3.04Å; K265-N285 VanDerWaalsContact NZ-O 3.12Å; K265-K286 WeakPolarHBondContact CA-O 3.5Å; K265-K286 VanDerWaalsContact CB-O 3.28Å; K265-K286 WeakPolarHBondContact CB-O 3.24Å
266	T	97.8	Very high	96.5	Very high	15 Å²	15	33.8 Å²	33.8	9%	0.092	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	153.7	179	71.6	0	0	0	0	110.7	H238 G262 D264 I280 L281 K282 V288	H238-T266 PolarHBondContact CE1-O 3.47Å; H238-T266 PolarHBondContact ND1-OG1 3.44Å; G262-T266 PolarHBondContact N-O 2.89Å; D264-T266 PolarHBondContact O-N 3.2Å; D264-T266 PolarHBondContact OD1-N 3.1Å; D264-T266 VanDerWaalsContact OD1-N 3.07Å; D264-T266 PolarHBondContact OD1-OG1 3.42Å; D264-T266 PolarHBondContact OD2-OG1 3.2Å; T266-I280 HydrophobicContact CG2-CG2 4.3Å; T266-L281 WeakPolarHBondContact CA-O 3.2Å; T266-K282 HydrophobicContact CG2-CG 3.89Å; T266-V288 WeakPolarHBondContact O-CG2 3.23Å
267	A	98.2	Very high	96.7	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	147	157.3	0	0	0	0	0	109.1	V259 T260 L281 V288 V291 T302	V259-A267 HydrophobicContact CG2-CB 4.28Å; T260-A267 CarbonylContact O-C 3.42Å; T260-A267 WeakPolarHBondContact O-CA 3.33Å; A267-L281 HydrophobicContact CB-CB 4.13Å; A267-L281 HydrophobicContact CB-CD1 4.09Å; A267-L281 PolarHBondContact N-O 3.1Å; A267-L281 VanDerWaalsContact N-O 3.12Å; A267-L281 WeakPolarHBondContact O-CA 3.38Å; A267-L281 WeakPolarHBondContact O-CB 3.34Å; A267-L281 PolarHBondContact O-N 2.9Å; A267-V288 HydrophobicContact CB-CG1 4.43Å; A267-V291 HydrophobicContact CB-CG1 4.29Å; A267-T302 HydrophobicContact CB-CG2 3.7Å
268	V	98.2	Very high	96.7	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	125.1	-175.7	175.9	0	0	0	0	108.4	L237 V259 T260 V277 S279 I280	L237-V268 HydrophobicContact CB-CG1 4.47Å; L237-V268 WeakPolarHBondContact O-CG2 3.27Å; V259-V268 CarbonylContact C-O 3.55Å; V259-V268 VanDerWaalsContact CA-O 3.28Å; V259-V268 WeakPolarHBondContact CA-O 3.39Å; T260-V268 PolarHBondContact N-O 3.44Å; T260-V268 PolarHBondContact O-N 2.89Å; V268-V277 HydrophobicContact CG1-CG1 3.85Å; V268-V277 HydrophobicContact CG1-CG2 4.19Å; V268-S279 WeakPolarHBondContact CA-O 3.47Å; V268-I280 HydrophobicContact CG2-CG1 4.46Å; V268-I280 HydrophobicContact CG2-CG2 4.29Å
269	V	98.2	Very high	96.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.8	170.9	-173.6	0	0	0	0	107.8	I258 V259 I278 S279 L281 Y293 V300 V314	I258-V269 CarbonylContact O-C 3.54Å; I258-V269 WeakPolarHBondContact O-CA 3.4Å; V259-V269 HydrophobicContact CB-CG2 4.45Å; V259-V269 HydrophobicContact CG2-CG2 4.26Å; V269-I278 HydrophobicContact CB-CB 4.39Å; V269-I278 HydrophobicContact CG1-CB 4.23Å; V269-I278 HydrophobicContact CG1-CD1 4.07Å; V269-I278 PolarHBondContact O-N 3.02Å; V269-S279 PolarHBondContact N-O 3.36Å; V269-S279 PolarHBondContact O-N 2.92Å; V269-L281 HydrophobicContact CG2-CD1 4.04Å; V269-L281 HydrophobicContact CG2-CG 4.48Å; V269-Y293 HydrophobicContact CG1-CE2 3.98Å; V269-V300 HydrophobicContact CG2-CG2 4.03Å; V269-V314 HydrophobicContact CB-CG1 4.19Å; V269-V314 HydrophobicContact CG1-CG1 3.74Å; V269-V314 HydrophobicContact CG2-CG1 4.21Å; V269-V314 HydrophobicContact CG2-CG2 4.32Å
270	F	97.6	Very high	96.6	Very high	9 Å²	9	36.3 Å²	36.3	4%	0.039	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	141	-172.1	-176.1	-101.7	0	0	0	110.3	H234 L237 R257 I258 L272 S275 Q276 V277	H234-F270 HydrophobicContact CB-CE1 4.18Å; H234-F270 HydrophobicContact CB-CZ 4.33Å; H234-F270 AromaticContact CE1-CE1 3.97Å; H234-F270 AromaticContact CG-CE1 3.71Å; H234-F270 AromaticContact ND1-CE1 3.62Å; H234-F270 AromaticContact ND1-CZ 3.64Å; L237-F270 HydrophobicContact CD1-CG 4.48Å; L237-F270 HydrophobicContact CD2-CB 4.24Å; L237-F270 HydrophobicContact CD2-CD1 4.35Å; L237-F270 HydrophobicContact CD2-CD2 3.33Å; L237-F270 HydrophobicContact CD2-CE2 3.62Å; L237-F270 HydrophobicContact CD2-CG 3.73Å; L237-F270 HydrophobicContact CD2-CZ 4.23Å; R257-F270 WeakPolarHBondContact CA-O 3.37Å; I258-F270 HydrophobicContact CD1-CB 4.47Å; I258-F270 HydrophobicContact CD1-CD1 4.27Å; I258-F270 HydrophobicContact CG1-CB 3.99Å; I258-F270 HydrophobicContact CG1-CD1 4.32Å; I258-F270 PolarHBondContact N-O 3.21Å; I258-F270 PolarHBondContact O-N 2.91Å; F270-L272 HydrophobicContact CD1-CD2 3.98Å; F270-L272 HydrophobicContact CD1-CG 4.48Å; F270-L272 HydrophobicContact CE1-CD2 3.97Å; F270-S275 VanDerWaalsContact CE2-C 3.41Å; F270-S275 VanDerWaalsContact CZ-CA 3.43Å; F270-Q276 WeakPolarHBondContact CD2-O 3.42Å; F270-Q276 VanDerWaalsContact CE2-C 3.47Å; F270-V277 HydrophobicContact CD2-CG2 3.88Å; F270-V277 HydrophobicContact CE2-CG2 4.34Å
271	D	96.4	Very high	96.5	Very high	22 Å²	22	36.4 Å²	36.4	12%	0.118	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	116.1	174.4	-179.5	-4.1	0	0	0	109.3	S273 T274 S275 Q276 I278	D271-S273 WeakPolarHBondContact OD1-CB 3.43Å; D271-S273 PolarHBondContact OD1-N 3.15Å; D271-S273 PolarHBondContact OD1-OG 2.96Å; D271-S273 PolarHBondContact OD2-OG 2.83Å; D271-T274 WeakPolarHBondContact CB-OG1 3.46Å; D271-T274 WeakPolarHBondContact OD2-CG2 3.36Å; D271-T274 PolarHBondContact OD2-OG1 2.96Å; D271-S275 WeakPolarHBondContact O-CA 3.23Å; D271-S275 PolarHBondContact O-N 3.23Å; D271-Q276 PolarHBondContact N-O 2.84Å; D271-Q276 PolarHBondContact O-N 3.35Å; D271-I278 HydrophobicContact CB-CD1 3.86Å; D271-I278 HydrophobicContact CB-CG1 4.12Å
272	L	95	Very high	96.4	Very high	20 Å²	20	43.4 Å²	43.4	11%	0.105	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-39.2	-179.8	-64.6	170.9	0	0	0	111.5	E256 I258 F270 S275 I521 V531	E256-L272 WeakPolarHBondContact O-CB 3.44Å; E256-L272 WeakPolarHBondContact O-CG 3.28Å; E256-L272 PolarHBondContact O-N 3.2Å; I258-L272 HydrophobicContact CD1-CD2 3.98Å; I258-L272 HydrophobicContact CD1-CG 4.42Å; I258-L272 HydrophobicContact CG1-CG 4.46Å; I258-L272 HydrophobicContact CG2-CD1 3.87Å; I258-L272 HydrophobicContact CG2-CG 4.35Å; F270-L272 HydrophobicContact CD1-CD2 3.98Å; F270-L272 HydrophobicContact CD1-CG 4.48Å; F270-L272 HydrophobicContact CE1-CD2 3.97Å; L272-S275 PolarHBondContact O-N 3.46Å; L272-S275 PolarHBondContact O-OG 3.22Å; L272-I521 HydrophobicContact CD1-CD1 3.59Å; L272-I521 HydrophobicContact CD1-CG1 4.2Å; L272-V531 HydrophobicContact CD1-CG2 4.19Å; L272-V531 HydrophobicContact CD2-CG2 3.9Å
273	S	92.3	Very high	96.2	Very high	69 Å²	69	44.7 Å²	44.7	48%	0.483	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-47.6	-177.5	65.1	0	0	0	0	112.2	E256 D271	E256-S273 VanDerWaalsContact CD-CB 3.49Å; E256-S273 WeakPolarHBondContact OE2-CA 3.39Å; E256-S273 WeakPolarHBondContact OE2-CB 3.47Å; E256-S273 PolarHBondContact OE2-N 2.99Å; E256-S273 VanDerWaalsContact OE2-N 3.14Å; D271-S273 WeakPolarHBondContact OD1-CB 3.43Å; D271-S273 PolarHBondContact OD1-N 3.15Å; D271-S273 PolarHBondContact OD1-OG 2.96Å; D271-S273 PolarHBondContact OD2-OG 2.83Å
274	T	94	Very high	96.2	Very high	73 Å²	73	43.3 Å²	43.3	45%	0.448	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-10.4	-178.6	60.8	0	0	0	0	112.1	D271 Q276	D271-T274 WeakPolarHBondContact CB-OG1 3.46Å; D271-T274 WeakPolarHBondContact OD2-CG2 3.36Å; D271-T274 PolarHBondContact OD2-OG1 2.96Å; T274-Q276 WeakPolarHBondContact O-CG 3.29Å; T274-Q276 PolarHBondContact O-N 2.81Å; T274-Q276 PolarHBondContact O-NE2 2.9Å
275	S	93.8	Very high	96.2	Very high	60 Å²	60	47.6 Å²	47.6	42%	0.42	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	37.6	-172	-66.5	0	0	0	0	112.6	H234 F270 D271 L272	H234-S275 PolarHBondContact CE1-OG 3.39Å; F270-S275 VanDerWaalsContact CE2-C 3.41Å; F270-S275 VanDerWaalsContact CZ-CA 3.43Å; D271-S275 WeakPolarHBondContact O-CA 3.23Å; D271-S275 PolarHBondContact O-N 3.23Å; L272-S275 PolarHBondContact O-N 3.46Å; L272-S275 PolarHBondContact O-OG 3.22Å
276	Q	94.6	Very high	96.2	Very high	122 Å²	122	48 Å²	48	57%	0.57	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.5	143.8	-178.3	-63.4	-55.1	-43.9	0	0	112.2	F270 D271 T274 I278	F270-Q276 WeakPolarHBondContact CD2-O 3.42Å; F270-Q276 VanDerWaalsContact CE2-C 3.47Å; D271-Q276 PolarHBondContact N-O 2.84Å; D271-Q276 PolarHBondContact O-N 3.35Å; T274-Q276 WeakPolarHBondContact O-CG 3.29Å; T274-Q276 PolarHBondContact O-N 2.81Å; T274-Q276 PolarHBondContact O-NE2 2.9Å; Q276-I278 PolarHBondContact O-N 3.16Å
277	V	95.5	Very high	96.2	Very high	62 Å²	62	51.4 Å²	51.4	38%	0.376	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	116	166.1	175.2	0	0	0	0	108	L237 V268 F270 I280	L237-V277 HydrophobicContact CD2-CG2 4.25Å; V268-V277 HydrophobicContact CG1-CG1 3.85Å; V268-V277 HydrophobicContact CG1-CG2 4.19Å; F270-V277 HydrophobicContact CD2-CG2 3.88Å; F270-V277 HydrophobicContact CE2-CG2 4.34Å; V277-I280 HydrophobicContact CG1-CD1 4.32Å; V277-I280 HydrophobicContact CG1-CG1 3.7Å
278	I	95.3	Very high	96.2	Very high	44 Å²	44	51.4 Å²	51.4	23%	0.226	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	-52.3	175.3	-64.7	166.9	0	0	0	108.9	R257 V269 D271 Q276 V314	R257-I278 HydrophobicContact CG-CD1 3.85Å; V269-I278 HydrophobicContact CB-CB 4.39Å; V269-I278 HydrophobicContact CG1-CB 4.23Å; V269-I278 HydrophobicContact CG1-CD1 4.07Å; V269-I278 PolarHBondContact O-N 3.02Å; D271-I278 HydrophobicContact CB-CD1 3.86Å; D271-I278 HydrophobicContact CB-CG1 4.12Å; Q276-I278 PolarHBondContact O-N 3.16Å; I278-V314 HydrophobicContact CG2-CG1 3.91Å
279	S	96.3	Very high	96.2	Very high	14 Å²	14	52.5 Å²	52.5	10%	0.098	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	143.8	-174.1	-87.1	0	0	0	0	113	V268 V269 V314	V268-S279 WeakPolarHBondContact CA-O 3.47Å; V269-S279 PolarHBondContact N-O 3.36Å; V269-S279 PolarHBondContact O-N 2.92Å; S279-V314 WeakPolarHBondContact CB-O 3.3Å; S279-V314 PolarHBondContact OG-O 2.91Å
280	I	97.1	Very high	96.2	Very high	83 Å²	83	54.9 Å²	54.9	43%	0.426	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	109.6	172.1	-53.9	176.5	0	0	0	108.3	T266 V268 V277 K282	T266-I280 HydrophobicContact CG2-CG2 4.3Å; V268-I280 HydrophobicContact CG2-CG1 4.46Å; V268-I280 HydrophobicContact CG2-CG2 4.29Å; V277-I280 HydrophobicContact CG1-CD1 4.32Å; V277-I280 HydrophobicContact CG1-CG1 3.7Å; I280-K282 HydrophobicContact CG2-CD 4.41Å; I280-K282 HydrophobicContact CG2-CG 3.92Å; I280-K282 PolarHBondContact O-N 3.28Å
281	L	97.6	Very high	96.2	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	98.6	-175.1	-50.5	179	0	0	0	109.5	T266 A267 V269 V300 W312	T266-L281 WeakPolarHBondContact CA-O 3.2Å; A267-L281 HydrophobicContact CB-CB 4.13Å; A267-L281 HydrophobicContact CB-CD1 4.09Å; A267-L281 PolarHBondContact N-O 3.1Å; A267-L281 VanDerWaalsContact N-O 3.12Å; A267-L281 WeakPolarHBondContact O-CA 3.38Å; A267-L281 WeakPolarHBondContact O-CB 3.34Å; A267-L281 PolarHBondContact O-N 2.9Å; V269-L281 HydrophobicContact CG2-CD1 4.04Å; V269-L281 HydrophobicContact CG2-CG 4.48Å; L281-V300 HydrophobicContact CD1-CB 4.04Å; L281-V300 HydrophobicContact CD1-CG1 3.69Å; L281-W312 HydrophobicContact CB-CD2 3.84Å; L281-W312 HydrophobicContact CB-CE3 3.9Å; L281-W312 HydrophobicContact CB-CG 4.26Å; L281-W312 HydrophobicContact CB-CZ2 4.41Å; L281-W312 HydrophobicContact CB-CZ3 4.24Å; L281-W312 HydrophobicContact CD1-CB 3.79Å; L281-W312 HydrophobicContact CD1-CD2 4.21Å; L281-W312 HydrophobicContact CD1-CG 3.72Å; L281-W312 HydrophobicContact CD2-CB 3.97Å; L281-W312 HydrophobicContact CD2-CD2 4.27Å; L281-W312 HydrophobicContact CD2-CE3 4.11Å; L281-W312 HydrophobicContact CD2-CG 4.23Å; L281-W312 HydrophobicContact CG-CB 4.39Å; L281-W312 HydrophobicContact CG-CD2 4.32Å; L281-W312 HydrophobicContact CG-CE3 4.48Å; L281-W312 HydrophobicContact CG-CG 4.28Å
282	K	95.8	Very high	96.3	Very high	147 Å²	147	54.1 Å²	54.1	64%	0.639	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106	132.9	-177.6	-60.7	-173.7	179.8	175.4	0	111.2	T266 I280 W312	T266-K282 HydrophobicContact CG2-CG 3.89Å; I280-K282 HydrophobicContact CG2-CD 4.41Å; I280-K282 HydrophobicContact CG2-CG 3.92Å; I280-K282 PolarHBondContact O-N 3.28Å; K282-W312 VanDerWaalsContact O-CH2 3.28Å; K282-W312 WeakPolarHBondContact O-CH2 3.48Å; K282-W312 WeakPolarHBondContact O-CZ3 3.5Å
283	G	93.8	Very high	96.4	Very high	28 Å²	28	53.4 Å²	53.4	29%	0.289	29%	0.286	S	S	.	.			trans	163.2	-16.8	171.3	0	0	0	0	0	115.5	R310	G283-R310 PolarHBondContact O-NH2 3.21Å
284	H	97.5	Very high	96.6	Very high	10 Å²	10	50.3 Å²	50.3	5%	0.046	26%	0.264	C	S	.	.			trans	-68.5	146.8	173.1	-81.6	-66.8	0	0	0	112	K286 V288 T302 S304 D306 T308	H284-K286 WeakPolarHBondContact CB-O 3.37Å; H284-V288 HydrophobicContact CB-CG2 4.4Å; H284-T302 PolarHBondContact CD2-OG1 3.34Å; H284-T302 PolarHBondContact NE2-OG1 2.78Å; H284-S304 VanDerWaalsContact ND1-CB 3.32Å; H284-S304 WeakPolarHBondContact ND1-CB 3.4Å; H284-D306 VanDerWaalsContact CA-OD2 3.32Å; H284-D306 WeakPolarHBondContact CA-OD2 3.44Å; H284-D306 WeakPolarHBondContact CB-OD2 3.12Å; H284-D306 IonicContact CE1-OD1 2.77Å; H284-D306 IonicContact CE1-OD2 2.72Å; H284-D306 IonicContact CG-OD2 3.61Å; H284-D306 IonicContact ND1-OD1 3.18Å; H284-D306 PolarHBondContact ND1-OD1 2.98Å; H284-D306 IonicContact ND1-OD2 3.83Å; H284-D306 PolarHBondContact ND1-OD2 3.35Å; H284-T308 PolarHBondContact CE1-O 3.15Å; H284-T308 PolarHBondContact CE1-OG1 2.77Å; H284-T308 PolarHBondContact ND1-OG1 2.83Å
285	N	96.9	Very high	96.5	Very high	121 Å²	121	48.4 Å²	48.4	65%	0.647	25%	0.252	S	S	*	.	S	Bend	trans	-89.1	-17.8	179.7	-70.9	-27.4	0	0	0	112.5	K265 D306	K265-N285 WeakPolarHBondContact CD-O 3.43Å; K265-N285 VanDerWaalsContact CE-O 3.32Å; K265-N285 WeakPolarHBondContact CE-O 3.23Å; K265-N285 PolarHBondContact NZ-O 3.04Å; K265-N285 VanDerWaalsContact NZ-O 3.12Å; N285-D306 HydrophobicContact CB-CB 4.12Å; N285-D306 PolarHBondContact N-OD2 2.72Å
286	K	98	Very high	96.4	Very high	105 Å²	105	49.1 Å²	49.1	46%	0.457	26%	0.258	S	S	.	.	S	Bend	trans	-128.4	176.5	175	-61.6	-174.6	-165.6	165.1	0	109.9	K265 H284 S304 P305 D306	K265-K286 WeakPolarHBondContact CA-O 3.5Å; K265-K286 VanDerWaalsContact CB-O 3.28Å; K265-K286 WeakPolarHBondContact CB-O 3.24Å; H284-K286 WeakPolarHBondContact CB-O 3.37Å; K286-S304 PolarHBondContact O-OG 3.37Å; K286-P305 HydrophobicContact CB-CB 4.43Å; K286-P305 HydrophobicContact CD-CB 3.89Å; K286-P305 WeakPolarHBondContact CD-O 3.49Å; K286-P305 PolarHBondContact NZ-O 3.47Å; K286-D306 HydrophobicContact CB-CB 4.13Å; K286-D306 HydrophobicContact CD-CB 4.36Å; K286-D306 HydrophobicContact CG-CB 4.06Å
287	K	97.9	Very high	96.3	Very high	88 Å²	88	48.1 Å²	48.1	38%	0.383	25%	0.253	S	S	.	.			trans	-52.9	148.2	178.6	57	173.1	-177.5	178	0	111.9	G262 N263 T289 S304 P305	G262-K287 WeakPolarHBondContact O-CA 3.41Å; N263-K287 WeakPolarHBondContact OD1-CD 3.4Å; K287-T289 HydrophobicContact CD-CG2 3.97Å; K287-T289 HydrophobicContact CG-CG2 3.94Å; K287-S304 WeakPolarHBondContact O-CB 3.3Å; K287-S304 PolarHBondContact O-OG 3.49Å; K287-P305 HydrophobicContact CG-CG 4.22Å; K287-P305 WeakPolarHBondContact O-CD 3.47Å
288	V	98.5	Very high	96.2	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.248	C	C	.	.			trans	-84.5	119.1	170.7	-178	0	0	0	0	107.5	N246 G262 T266 A267 H284 Q290 V291 T302	N246-V288 WeakPolarHBondContact CB-O 3.29Å; N246-V288 PolarHBondContact ND2-O 3.24Å; G262-V288 PolarHBondContact O-N 3.12Å; T266-V288 WeakPolarHBondContact O-CG2 3.23Å; A267-V288 HydrophobicContact CB-CG1 4.43Å; H284-V288 HydrophobicContact CB-CG2 4.4Å; V288-Q290 WeakPolarHBondContact CG1-O 3.29Å; V288-V291 HydrophobicContact CG1-CG1 3.71Å; V288-T302 HydrophobicContact CG1-CG2 4.27Å
289	T	97.6	Very high	96.2	Very high	24 Å²	24	47.7 Å²	47.7	15%	0.147	25%	0.247	C	C	.	.			trans	-107.7	-19.9	-176.9	45.6	0	0	0	0	112.9	C247 K287 G303 P305 V330	C247-T289 PolarHBondContact SG-O 2.67Å; C247-T289 VanDerWaalsContact SG-O 3.39Å; K287-T289 HydrophobicContact CD-CG2 3.97Å; K287-T289 HydrophobicContact CG-CG2 3.94Å; T289-G303 PolarHBondContact N-O 3.29Å; T289-G303 PolarHBondContact OG1-O 3.32Å; T289-P305 HydrophobicContact CG2-CG 3.8Å; T289-V330 PolarHBondContact OG1-O 2.9Å
290	Q	98.3	Very high	96.2	Very high	50 Å²	50	47 Å²	47	23%	0.234	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	135.7	179.7	-63.1	-58.8	-30.1	0	0	109.8	V288 T302 G303 T331 L333	V288-Q290 WeakPolarHBondContact CG1-O 3.29Å; Q290-T302 CarbonylContact O-C 3.49Å; Q290-T302 VanDerWaalsContact O-CA 3.3Å; Q290-T302 WeakPolarHBondContact O-CA 3.25Å; Q290-G303 PolarHBondContact N-O 2.99Å; Q290-G303 VanDerWaalsContact N-O 3.14Å; Q290-G303 PolarHBondContact O-N 3.01Å; Q290-T331 PolarHBondContact NE2-O 2.83Å; Q290-L333 HydrophobicContact CB-CB 3.71Å; Q290-L333 HydrophobicContact CB-CD2 4.16Å; Q290-L333 HydrophobicContact CG-CB 4.3Å
291	V	98.4	Very high	96.2	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.024	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	143.4	173.4	-63.8	0	0	0	0	109.2	C247 D249 V259 A267 V288 F301 T302	C247-V291 HydrophobicContact CB-CG2 4Å; D249-V291 HydrophobicContact CB-CG2 4.18Å; V259-V291 HydrophobicContact CG1-CB 4.05Å; V259-V291 HydrophobicContact CG1-CG2 4.02Å; V259-V291 HydrophobicContact CG2-CB 4.28Å; V259-V291 HydrophobicContact CG2-CG1 4.26Å; A267-V291 HydrophobicContact CB-CG1 4.29Å; V288-V291 HydrophobicContact CG1-CG1 3.71Å; V291-F301 CarbonylContact C-O 3.55Å; V291-F301 VanDerWaalsContact CA-O 3.31Å; V291-F301 WeakPolarHBondContact CA-O 3.48Å; V291-T302 HydrophobicContact CG1-CG2 4.11Å
292	V	97.6	Very high	96.3	Very high	11 Å²	11	43.1 Å²	43.1	7%	0.067	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	131.3	170.9	175.7	0	0	0	0	108.4	D249 F301 L333 I335	D249-V292 VanDerWaalsContact OD2-CA 3.29Å; D249-V292 WeakPolarHBondContact OD2-CA 3.39Å; V292-F301 HydrophobicContact CB-CB 4.48Å; V292-F301 PolarHBondContact N-O 3.37Å; V292-F301 PolarHBondContact O-N 2.92Å; V292-L333 HydrophobicContact CB-CD2 4.29Å; V292-L333 HydrophobicContact CB-CG 4.47Å; V292-L333 HydrophobicContact CG2-CB 3.99Å; V292-L333 HydrophobicContact CG2-CD2 3.93Å; V292-L333 HydrophobicContact CG2-CG 3.77Å; V292-I335 HydrophobicContact CG1-CB 3.9Å; V292-I335 HydrophobicContact CG1-CG2 3.72Å
293	Y	97.2	Very high	96.4	Very high	5 Å²	5	36.1 Å²	36.1	2%	0.02	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	136.7	171.1	-142.8	-64	0	0	0	109.2	D249 R257 V259 V269 E298 V300 V314	D249-Y293 PolarHBondContact OD2-N 3.07Å; R257-Y293 HydrophobicContact CB-CE2 4.46Å; V259-Y293 HydrophobicContact CB-CD2 4.08Å; V259-Y293 HydrophobicContact CG1-CD2 3.87Å; V269-Y293 HydrophobicContact CG1-CE2 3.98Å; Y293-E298 PolarHBondContact OH-OE2 3.38Å; Y293-V300 HydrophobicContact CD1-CG2 4.4Å; Y293-V300 HydrophobicContact CD2-CG2 3.87Å; Y293-V300 HydrophobicContact CE1-CG2 4.45Å; Y293-V300 HydrophobicContact CE2-CG2 3.93Å; Y293-V300 HydrophobicContact CG-CG2 4.12Å; Y293-V314 HydrophobicContact CE1-CG2 4.26Å
294	H	96.7	Very high	96.6	Very high	5 Å²	5	34.8 Å²	34.8	2%	0.023	18%	0.178	C	C	.	.			trans	-63.3	139.7	175	-168.9	-88.2	0	0	0	110.8	S296 E297 L299 F301 I335 G339	H294-S296 VanDerWaalsContact C-N 3.25Å; H294-S296 PolarHBondContact CE1-OG 3.09Å; H294-S296 PolarHBondContact ND1-N 2.89Å; H294-S296 PolarHBondContact ND1-OG 2.79Å; H294-S296 PolarHBondContact O-N 3.39Å; H294-E297 HydrophobicContact CB-CB 4.39Å; H294-E297 VanDerWaalsContact ND1-CB 3.31Å; H294-E297 WeakPolarHBondContact ND1-CB 3.43Å; H294-E297 PolarHBondContact ND1-N 2.86Å; H294-L299 HydrophobicContact CB-CB 3.82Å; H294-L299 VanDerWaalsContact CB-O 3.25Å; H294-L299 WeakPolarHBondContact CB-O 3.31Å; H294-L299 PolarHBondContact N-O 3.4Å; H294-F301 HydrophobicContact CB-CE2 3.89Å; H294-F301 AromaticContact CD2-CE2 3.81Å; H294-F301 AromaticContact CD2-CZ 4Å; H294-I335 WeakPolarHBondContact CD2-CD1 3.36Å; H294-G339 WeakPolarHBondContact NE2-CA 3.47Å; H294-G339 PolarHBondContact NE2-O 3.18Å
295	P	92.9	Very high	96.6	Very high	32 Å²	32	35.2 Å²	35.2	21%	0.208	18%	0.182	C	C	.	.	S	Bend	trans	-68.8	-19.2	-173.6	26.8	-37.5	0	0	0	114.5	K252	K252-P295 HydrophobicContact CD-CB 4.02Å
296	S	91.5	Very high	96.7	Very high	76 Å²	76	30.4 Å²	30.4	53%	0.531	16%	0.156	S	C	.	.	S	Bend	trans	-140.1	-7.6	-174.1	60.8	0	0	0	0	115.7	H294	H294-S296 VanDerWaalsContact C-N 3.25Å; H294-S296 PolarHBondContact CE1-OG 3.09Å; H294-S296 PolarHBondContact ND1-N 2.89Å; H294-S296 PolarHBondContact ND1-OG 2.79Å; H294-S296 PolarHBondContact O-N 3.39Å
297	E	92.4	Very high	96.6	Very high	101 Å²	101	26.6 Å²	26.6	47%	0.472	14%	0.142	S	C	.	.	S	Bend	trans	-126.2	158	-172.8	-61.7	-176.4	-175.6	0	0	108.8	H294 L299	H294-E297 HydrophobicContact CB-CB 4.39Å; H294-E297 VanDerWaalsContact ND1-CB 3.31Å; H294-E297 WeakPolarHBondContact ND1-CB 3.43Å; H294-E297 PolarHBondContact ND1-N 2.86Å; E297-L299 HydrophobicContact CB-CD1 4.41Å; E297-L299 HydrophobicContact CB-CG 4.23Å; E297-L299 PolarHBondContact O-N 3.05Å; E297-L299 VanDerWaalsContact OE2-CD1 3.23Å; E297-L299 WeakPolarHBondContact OE2-CD1 3.36Å
298	E	93.1	Very high	96.6	Very high	58 Å²	58	23 Å²	23	27%	0.271	13%	0.127	S	C	.	.	S	Bend	trans	-80	55.6	175.2	-69.3	-57.3	140.6	0	0	111	R257 Y293 V314	R257-E298 IonicContact CZ-OE2 3.54Å; R257-E298 VanDerWaalsContact NH1-CD 3.27Å; R257-E298 IonicContact NH1-OE1 3.62Å; R257-E298 IonicContact NH1-OE2 2.76Å; R257-E298 PolarHBondContact NH1-OE2 2.87Å; Y293-E298 PolarHBondContact OH-OE2 3.38Å; E298-V314 HydrophobicContact CB-CB 4.13Å; E298-V314 HydrophobicContact CB-CG2 4.39Å; E298-V314 WeakPolarHBondContact O-CG2 3.28Å; E298-V314 PolarHBondContact O-N 2.76Å
299	L	94.8	Very high	96.5	Very high	39 Å²	39	23.1 Å²	23.1	20%	0.204	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	140.6	177.2	-67.3	179.8	0	0	0	110.7	H294 E297 F301 V311 W312	H294-L299 HydrophobicContact CB-CB 3.82Å; H294-L299 VanDerWaalsContact CB-O 3.25Å; H294-L299 WeakPolarHBondContact CB-O 3.31Å; H294-L299 PolarHBondContact N-O 3.4Å; E297-L299 HydrophobicContact CB-CD1 4.41Å; E297-L299 HydrophobicContact CB-CG 4.23Å; E297-L299 PolarHBondContact O-N 3.05Å; E297-L299 VanDerWaalsContact OE2-CD1 3.23Å; E297-L299 WeakPolarHBondContact OE2-CD1 3.36Å; L299-F301 HydrophobicContact CB-CE2 4.4Å; L299-F301 HydrophobicContact CB-CZ 4.11Å; L299-F301 HydrophobicContact CD1-CZ 4.37Å; L299-V311 HydrophobicContact CD2-CG1 4.4Å; L299-W312 VanDerWaalsContact CA-O 3.29Å; L299-W312 WeakPolarHBondContact CA-O 3.34Å; L299-W312 WeakPolarHBondContact CD2-O 3.44Å
300	V	97.2	Very high	96.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	140.8	173.9	163.7	0	0	0	0	109.1	V259 V269 L281 Y293 T302 W312 V314	V259-V300 HydrophobicContact CB-CG2 4.3Å; V259-V300 HydrophobicContact CG1-CG2 4.49Å; V259-V300 HydrophobicContact CG2-CG1 3.77Å; V259-V300 HydrophobicContact CG2-CG2 4.3Å; V269-V300 HydrophobicContact CG2-CG2 4.03Å; L281-V300 HydrophobicContact CD1-CB 4.04Å; L281-V300 HydrophobicContact CD1-CG1 3.69Å; Y293-V300 HydrophobicContact CD1-CG2 4.4Å; Y293-V300 HydrophobicContact CD2-CG2 3.87Å; Y293-V300 HydrophobicContact CE1-CG2 4.45Å; Y293-V300 HydrophobicContact CE2-CG2 3.93Å; Y293-V300 HydrophobicContact CG-CG2 4.12Å; V300-T302 HydrophobicContact CG1-CG2 3.94Å; V300-W312 HydrophobicContact CB-CB 4.36Å; V300-W312 PolarHBondContact N-O 3.49Å; V300-W312 VanDerWaalsContact O-CD1 3.31Å; V300-W312 PolarHBondContact O-N 2.76Å; V300-V314 HydrophobicContact CB-CG2 4.44Å; V300-V314 HydrophobicContact CG2-CG2 3.68Å
301	F	97.1	Very high	96.3	Very high	1 Å²	1	21.6 Å²	21.6	0%	0.004	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	135.6	175.1	-52.5	-77.6	0	0	0	109.7	V291 V292 H294 L299 R310 V311 L333 I335 L342 L356	V291-F301 CarbonylContact C-O 3.55Å; V291-F301 VanDerWaalsContact CA-O 3.31Å; V291-F301 WeakPolarHBondContact CA-O 3.48Å; V292-F301 HydrophobicContact CB-CB 4.48Å; V292-F301 PolarHBondContact N-O 3.37Å; V292-F301 PolarHBondContact O-N 2.92Å; H294-F301 HydrophobicContact CB-CE2 3.89Å; H294-F301 AromaticContact CD2-CE2 3.81Å; H294-F301 AromaticContact CD2-CZ 4Å; L299-F301 HydrophobicContact CB-CE2 4.4Å; L299-F301 HydrophobicContact CB-CZ 4.11Å; L299-F301 HydrophobicContact CD1-CZ 4.37Å; F301-R310 WeakPolarHBondContact CA-O 3.22Å; F301-V311 HydrophobicContact CD1-CB 4.21Å; F301-V311 HydrophobicContact CD1-CG1 4.06Å; F301-V311 HydrophobicContact CD1-CG2 3.83Å; F301-V311 HydrophobicContact CE1-CB 4.11Å; F301-V311 HydrophobicContact CE1-CG1 3.53Å; F301-V311 HydrophobicContact CE1-CG2 3.8Å; F301-V311 HydrophobicContact CZ-CG1 4.41Å; F301-L333 HydrophobicContact CB-CD2 4.05Å; F301-I335 HydrophobicContact CD2-CD1 4.25Å; F301-I335 HydrophobicContact CE2-CD1 3.66Å; F301-I335 HydrophobicContact CZ-CD1 4.42Å; F301-L342 HydrophobicContact CB-CD1 4.23Å; F301-L342 HydrophobicContact CD1-CD2 4.45Å; F301-L342 HydrophobicContact CG-CD1 4.19Å; F301-L356 HydrophobicContact CD1-CD2 3.64Å; F301-L356 HydrophobicContact CE1-CB 4.37Å; F301-L356 HydrophobicContact CE1-CD1 3.82Å; F301-L356 HydrophobicContact CE1-CD2 3.24Å; F301-L356 HydrophobicContact CE1-CG 3.98Å; F301-L356 HydrophobicContact CE2-CD1 4.01Å; F301-L356 HydrophobicContact CZ-CD1 3.5Å; F301-L356 HydrophobicContact CZ-CD2 3.89Å; F301-L356 HydrophobicContact CZ-CG 4.15Å
302	T	98.4	Very high	96.2	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.006	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	142.3	179.2	64.4	0	0	0	0	111.4	A267 H284 V288 Q290 V291 V300 L309 R310 W312	A267-T302 HydrophobicContact CB-CG2 3.7Å; H284-T302 PolarHBondContact CD2-OG1 3.34Å; H284-T302 PolarHBondContact NE2-OG1 2.78Å; V288-T302 HydrophobicContact CG1-CG2 4.27Å; Q290-T302 CarbonylContact O-C 3.49Å; Q290-T302 VanDerWaalsContact O-CA 3.3Å; Q290-T302 WeakPolarHBondContact O-CA 3.25Å; V291-T302 HydrophobicContact CG1-CG2 4.11Å; V300-T302 HydrophobicContact CG1-CG2 3.94Å; T302-L309 CarbonylContact O-C 3.48Å; T302-L309 VanDerWaalsContact O-CA 3.3Å; T302-L309 WeakPolarHBondContact O-CA 3.46Å; T302-R310 PolarHBondContact N-O 3.39Å; T302-R310 PolarHBondContact O-N 3.04Å; T302-W312 PolarHBondContact OG1-NE1 3.03Å
303	G	97.9	Very high	96	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	146.6	173.8	0	0	0	0	0	111.4	T289 Q290	T289-G303 PolarHBondContact N-O 3.29Å; T289-G303 PolarHBondContact OG1-O 3.32Å; Q290-G303 PolarHBondContact N-O 2.99Å; Q290-G303 VanDerWaalsContact N-O 3.14Å; Q290-G303 PolarHBondContact O-N 3.01Å
304	S	98.6	Very high	95.8	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.116	C	C	.	.			trans	-142.2	159.4	-175.9	179.4	0	0	0	0	112.8	H284 K286 K287 D306 T307 T308 V330	H284-S304 VanDerWaalsContact ND1-CB 3.32Å; H284-S304 WeakPolarHBondContact ND1-CB 3.4Å; K286-S304 PolarHBondContact O-OG 3.37Å; K287-S304 WeakPolarHBondContact O-CB 3.3Å; K287-S304 PolarHBondContact O-OG 3.49Å; S304-D306 WeakPolarHBondContact CB-OD1 3.45Å; S304-D306 PolarHBondContact O-N 2.74Å; S304-D306 VanDerWaalsContact O-N 3.09Å; S304-D306 PolarHBondContact OG-N 2.84Å; S304-T307 PolarHBondContact O-N 3.43Å; S304-T307 VanDerWaalsContact O-N 3.16Å; S304-T308 PolarHBondContact N-O 2.81Å; S304-V330 PolarHBondContact O-N 3.01Å; S304-V330 VanDerWaalsContact O-N 3.15Å
305	P	98.2	Very high	95.5	Very high	19 Å²	19	26 Å²	26	12%	0.123	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-4	165.5	-23.6	37.8	0	0	0	114.3	K286 K287 T289 T307 S329	K286-P305 HydrophobicContact CB-CB 4.43Å; K286-P305 HydrophobicContact CD-CB 3.89Å; K286-P305 WeakPolarHBondContact CD-O 3.49Å; K286-P305 PolarHBondContact NZ-O 3.47Å; K287-P305 HydrophobicContact CG-CG 4.22Å; K287-P305 WeakPolarHBondContact O-CD 3.47Å; T289-P305 HydrophobicContact CG2-CG 3.8Å; P305-T307 PolarHBondContact O-N 3.02Å; P305-S329 WeakPolarHBondContact CB-OG 3.39Å
306	D	97.6	Very high	95.3	Very high	19 Å²	19	30.6 Å²	30.6	10%	0.102	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	7.4	169.9	76.6	8.1	0	0	0	113.8	H284 N285 K286 S304 T308	H284-D306 VanDerWaalsContact CA-OD2 3.32Å; H284-D306 WeakPolarHBondContact CA-OD2 3.44Å; H284-D306 WeakPolarHBondContact CB-OD2 3.12Å; H284-D306 IonicContact CE1-OD1 2.77Å; H284-D306 IonicContact CE1-OD2 2.72Å; H284-D306 IonicContact CG-OD2 3.61Å; H284-D306 IonicContact ND1-OD1 3.18Å; H284-D306 PolarHBondContact ND1-OD1 2.98Å; H284-D306 IonicContact ND1-OD2 3.83Å; H284-D306 PolarHBondContact ND1-OD2 3.35Å; N285-D306 HydrophobicContact CB-CB 4.12Å; N285-D306 PolarHBondContact N-OD2 2.72Å; K286-D306 HydrophobicContact CB-CB 4.13Å; K286-D306 HydrophobicContact CD-CB 4.36Å; K286-D306 HydrophobicContact CG-CB 4.06Å; S304-D306 WeakPolarHBondContact CB-OD1 3.45Å; S304-D306 PolarHBondContact O-N 2.74Å; S304-D306 VanDerWaalsContact O-N 3.09Å; S304-D306 PolarHBondContact OG-N 2.84Å; D306-T308 PolarHBondContact O-N 2.97Å; D306-T308 WeakPolarHBondContact OD1-CB 3.44Å; D306-T308 PolarHBondContact OD1-N 3.44Å; D306-T308 PolarHBondContact OD1-OG1 2.92Å; D306-T308 PolarHBondContact OD2-OG1 3.25Å
307	T	97.1	Very high	95	Very high	26 Å²	26	28.1 Å²	28.1	16%	0.16	14%	0.144	C	C	.	.	S	Bend	trans	70.8	-0.3	177.5	88	0	0	0	0	115.3	S304 P305 H326 G328	S304-T307 PolarHBondContact O-N 3.43Å; S304-T307 VanDerWaalsContact O-N 3.16Å; P305-T307 PolarHBondContact O-N 3.02Å; T307-H326 WeakPolarHBondContact CB-O 3.29Å; T307-G328 WeakPolarHBondContact CA-O 3.31Å; T307-G328 WeakPolarHBondContact CB-O 3.3Å; T307-G328 VanDerWaalsContact CG2-O 3.25Å; T307-G328 WeakPolarHBondContact CG2-O 3.38Å
308	T	96.4	Very high	94.8	Very high	12 Å²	12	30.1 Å²	30.1	7%	0.074	15%	0.154	C	C	.	.			trans	-96.5	145.3	-179.9	70.3	0	0	0	0	112.1	H284 S304 D306 I322	H284-T308 PolarHBondContact CE1-O 3.15Å; H284-T308 PolarHBondContact CE1-OG1 2.77Å; H284-T308 PolarHBondContact ND1-OG1 2.83Å; S304-T308 PolarHBondContact N-O 2.81Å; D306-T308 PolarHBondContact O-N 2.97Å; D306-T308 WeakPolarHBondContact OD1-CB 3.44Å; D306-T308 PolarHBondContact OD1-N 3.44Å; D306-T308 PolarHBondContact OD1-OG1 2.92Å; D306-T308 PolarHBondContact OD2-OG1 3.25Å; T308-I322 HydrophobicContact CG2-CG2 4.14Å
309	L	96.8	Very high	94.7	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	134.9	162.2	-59.1	168.6	0	0	0	107.5	T302 I322 I323 A325 V330 L333 L342 S344	T302-L309 CarbonylContact O-C 3.48Å; T302-L309 VanDerWaalsContact O-CA 3.3Å; T302-L309 WeakPolarHBondContact O-CA 3.46Å; L309-I322 CarbonylContact O-C 3.55Å; L309-I322 WeakPolarHBondContact O-CA 3.4Å; L309-I323 HydrophobicContact CB-CB 4.07Å; L309-I323 HydrophobicContact CD1-CB 4.41Å; L309-I323 HydrophobicContact CD1-CG2 4.26Å; L309-I323 PolarHBondContact N-O 2.85Å; L309-I323 PolarHBondContact O-N 2.94Å; L309-A325 HydrophobicContact CD1-CB 4.24Å; L309-V330 HydrophobicContact CD2-CB 4.28Å; L309-V330 HydrophobicContact CD2-CG1 3.6Å; L309-V330 HydrophobicContact CD2-CG2 3.83Å; L309-V330 HydrophobicContact CG-CG2 4.33Å; L309-L333 HydrophobicContact CD2-CD1 3.67Å; L309-L342 HydrophobicContact CD1-CD2 4.22Å; L309-S344 VanDerWaalsContact CD1-OG 3.32Å; L309-S344 WeakPolarHBondContact CD1-OG 3.46Å
310	R	96.3	Very high	94.5	Very high	35 Å²	35	31.1 Å²	31.1	13%	0.132	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	139	-179.2	-66.3	-176.9	171.3	-116	3	110.8	G283 F301 T302 W312 I322	G283-R310 PolarHBondContact O-NH2 3.21Å; F301-R310 WeakPolarHBondContact CA-O 3.22Å; T302-R310 PolarHBondContact N-O 3.39Å; T302-R310 PolarHBondContact O-N 3.04Å; R310-W312 HydrophobicContact CB-CZ2 3.72Å; R310-W312 HydrophobicContact CG-CZ2 4.16Å; R310-I322 HydrophobicContact CG-CG1 4.28Å; R310-I322 HydrophobicContact CG-CG2 4.4Å
311	V	95.7	Very high	94.2	Very high	7 Å²	7	33 Å²	33	4%	0.042	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	130.6	173.2	-174.4	0	0	0	0	107.8	L299 F301 C319 A320 S321 I323 L356	L299-V311 HydrophobicContact CD2-CG1 4.4Å; F301-V311 HydrophobicContact CD1-CB 4.21Å; F301-V311 HydrophobicContact CD1-CG1 4.06Å; F301-V311 HydrophobicContact CD1-CG2 3.83Å; F301-V311 HydrophobicContact CE1-CB 4.11Å; F301-V311 HydrophobicContact CE1-CG1 3.53Å; F301-V311 HydrophobicContact CE1-CG2 3.8Å; F301-V311 HydrophobicContact CZ-CG1 4.41Å; V311-C319 CarbonylContact O-C 3.53Å; V311-C319 WeakPolarHBondContact O-CA 3.43Å; V311-A320 HydrophobicContact CG1-CB 4.34Å; V311-A320 PolarHBondContact O-N 3.34Å; V311-S321 PolarHBondContact N-O 2.57Å; V311-S321 PolarHBondContact O-N 3.38Å; V311-I323 HydrophobicContact CG2-CD1 4.36Å; V311-L356 HydrophobicContact CG2-CD2 4.42Å
312	W	96	Very high	94.1	Very high	3 Å²	3	35.5 Å²	35.5	1%	0.011	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	134.7	-176.6	-52.8	91.5	0	0	0	110.4	L281 K282 L299 V300 T302 R310 Q318 C319	L281-W312 HydrophobicContact CB-CD2 3.84Å; L281-W312 HydrophobicContact CB-CE3 3.9Å; L281-W312 HydrophobicContact CB-CG 4.26Å; L281-W312 HydrophobicContact CB-CZ2 4.41Å; L281-W312 HydrophobicContact CB-CZ3 4.24Å; L281-W312 HydrophobicContact CD1-CB 3.79Å; L281-W312 HydrophobicContact CD1-CD2 4.21Å; L281-W312 HydrophobicContact CD1-CG 3.72Å; L281-W312 HydrophobicContact CD2-CB 3.97Å; L281-W312 HydrophobicContact CD2-CD2 4.27Å; L281-W312 HydrophobicContact CD2-CE3 4.11Å; L281-W312 HydrophobicContact CD2-CG 4.23Å; L281-W312 HydrophobicContact CG-CB 4.39Å; L281-W312 HydrophobicContact CG-CD2 4.32Å; L281-W312 HydrophobicContact CG-CE3 4.48Å; L281-W312 HydrophobicContact CG-CG 4.28Å; K282-W312 VanDerWaalsContact O-CH2 3.28Å; K282-W312 WeakPolarHBondContact O-CH2 3.48Å; K282-W312 WeakPolarHBondContact O-CZ3 3.5Å; L299-W312 VanDerWaalsContact CA-O 3.29Å; L299-W312 WeakPolarHBondContact CA-O 3.34Å; L299-W312 WeakPolarHBondContact CD2-O 3.44Å; V300-W312 HydrophobicContact CB-CB 4.36Å; V300-W312 PolarHBondContact N-O 3.49Å; V300-W312 VanDerWaalsContact O-CD1 3.31Å; V300-W312 PolarHBondContact O-N 2.76Å; T302-W312 PolarHBondContact OG1-NE1 3.03Å; R310-W312 HydrophobicContact CB-CZ2 3.72Å; R310-W312 HydrophobicContact CG-CZ2 4.16Å; W312-Q318 WeakPolarHBondContact CA-O 3.35Å; W312-C319 HydrophobicContact CD2-CB 4.39Å; W312-C319 HydrophobicContact CE3-CB 3.74Å; W312-C319 HydrophobicContact CH2-CB 3.93Å; W312-C319 HydrophobicContact CZ3-CB 3.48Å; W312-C319 VanDerWaalsContact CZ3-CB 3.48Å
313	G	94.1	Very high	93.9	Very high	6 Å²	6	35.4 Å²	35.4	6%	0.062	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	123.7	161.5	0	0	0	0	0	109.3	Q316 G317 Q318	G313-Q316 VanDerWaalsContact CA-OE1 3.29Å; G313-G317 PolarHBondContact O-N 3.25Å; G313-Q318 PolarHBondContact N-O 2.88Å
314	V	93	Very high	93.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-52.8	-174.2	171.4	0	0	0	0	110.6	V269 I278 S279 Y293 E298 V300 Q316 G317	V269-V314 HydrophobicContact CB-CG1 4.19Å; V269-V314 HydrophobicContact CG1-CG1 3.74Å; V269-V314 HydrophobicContact CG2-CG1 4.21Å; V269-V314 HydrophobicContact CG2-CG2 4.32Å; I278-V314 HydrophobicContact CG2-CG1 3.91Å; S279-V314 WeakPolarHBondContact CB-O 3.3Å; S279-V314 PolarHBondContact OG-O 2.91Å; Y293-V314 HydrophobicContact CE1-CG2 4.26Å; E298-V314 HydrophobicContact CB-CB 4.13Å; E298-V314 HydrophobicContact CB-CG2 4.39Å; E298-V314 WeakPolarHBondContact O-CG2 3.28Å; E298-V314 PolarHBondContact O-N 2.76Å; V300-V314 HydrophobicContact CB-CG2 4.44Å; V300-V314 HydrophobicContact CG2-CG2 3.68Å; V314-Q316 VanDerWaalsContact C-N 3.32Å; V314-Q316 PolarHBondContact O-N 3.45Å; V314-G317 PolarHBondContact O-N 3.41Å
315	E	90.6	Very high	93.6	Very high	108 Å²	108	38.4 Å²	38.4	51%	0.505	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-29.9	-175.2	-61.8	-63.4	159.4	0	0	112.6	R257	R257-E315 IonicContact CZ-OE1 3.51Å; R257-E315 IonicContact NH1-OE1 2.81Å; R257-E315 PolarHBondContact NH1-OE1 3.28Å; R257-E315 IonicContact NH2-OE1 3.66Å; R257-E315 PolarHBondContact NH2-OE1 2.86Å
316	Q	88	Confident	93.5	Very high	130 Å²	130	37.6 Å²	37.6	61%	0.607	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-23	179.8	-57.2	80.7	12.3	0	0	112.6	G313 V314 Q318	G313-Q316 VanDerWaalsContact CA-OE1 3.29Å; V314-Q316 VanDerWaalsContact C-N 3.32Å; V314-Q316 PolarHBondContact O-N 3.45Å; Q316-Q318 HydrophobicContact CB-CB 4.25Å; Q316-Q318 HydrophobicContact CB-CG 4.44Å; Q316-Q318 PolarHBondContact O-N 3.25Å; Q316-Q318 VanDerWaalsContact O-N 3.15Å
317	G	85.8	Confident	93.4	Very high	24 Å²	24	44.3 Å²	44.3	25%	0.247	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	15.7	-172.3	0	0	0	0	0	113.9	G313 V314	G313-G317 PolarHBondContact O-N 3.25Å; V314-G317 PolarHBondContact O-N 3.41Å
318	Q	87.7	Confident	93.4	Very high	142 Å²	142	43.6 Å²	43.6	66%	0.664	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106.2	145.5	-174.8	-72.2	-176.1	-12.3	0	0	111.7	W312 G313 Q316 A320	W312-Q318 WeakPolarHBondContact CA-O 3.35Å; G313-Q318 PolarHBondContact N-O 2.88Å; Q316-Q318 HydrophobicContact CB-CB 4.25Å; Q316-Q318 HydrophobicContact CB-CG 4.44Å; Q316-Q318 PolarHBondContact O-N 3.25Å; Q316-Q318 VanDerWaalsContact O-N 3.15Å; Q318-A320 PolarHBondContact O-N 3.02Å
319	C	90.9	Very high	93.4	Very high	44 Å²	44	44.9 Å²	44.9	30%	0.297	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	108.8	172.7	-168.7	0	0	0	0	108.9	V311 W312 S321	V311-C319 CarbonylContact O-C 3.53Å; V311-C319 WeakPolarHBondContact O-CA 3.43Å; W312-C319 HydrophobicContact CD2-CB 4.39Å; W312-C319 HydrophobicContact CE3-CB 3.74Å; W312-C319 HydrophobicContact CH2-CB 3.93Å; W312-C319 HydrophobicContact CZ3-CB 3.48Å; W312-C319 VanDerWaalsContact CZ3-CB 3.48Å; C319-S321 PolarHBondContact SG-O 3.03Å; C319-S321 VanDerWaalsContact SG-O 3.38Å
320	A	90.4	Very high	93.5	Very high	75 Å²	75	44.9 Å²	44.9	62%	0.62	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	-38	179.7	0	0	0	0	0	111.8	V311 Q318	V311-A320 HydrophobicContact CG1-CB 4.34Å; V311-A320 PolarHBondContact O-N 3.34Å; Q318-A320 PolarHBondContact O-N 3.02Å
321	S	91.5	Very high	93.6	Very high	39 Å²	39	44.7 Å²	44.7	27%	0.273	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	156.2	179.9	-171.5	0	0	0	0	112	V311 C319	V311-S321 PolarHBondContact N-O 2.57Å; V311-S321 PolarHBondContact O-N 3.38Å; C319-S321 PolarHBondContact SG-O 3.03Å; C319-S321 VanDerWaalsContact SG-O 3.38Å
322	I	94.3	Very high	93.7	Very high	53 Å²	53	44.4 Å²	44.4	27%	0.272	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	118.3	176.4	-53	177.3	0	0	0	108.3	T308 L309 R310	T308-I322 HydrophobicContact CG2-CG2 4.14Å; L309-I322 CarbonylContact O-C 3.55Å; L309-I322 WeakPolarHBondContact O-CA 3.4Å; R310-I322 HydrophobicContact CG-CG1 4.28Å; R310-I322 HydrophobicContact CG-CG2 4.4Å
323	I	95.1	Very high	93.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	122.7	177.4	-56.9	165.2	0	0	0	108.5	L309 V311 A325 L342 L356 V361	L309-I323 HydrophobicContact CB-CB 4.07Å; L309-I323 HydrophobicContact CD1-CB 4.41Å; L309-I323 HydrophobicContact CD1-CG2 4.26Å; L309-I323 PolarHBondContact N-O 2.85Å; L309-I323 PolarHBondContact O-N 2.94Å; V311-I323 HydrophobicContact CG2-CD1 4.36Å; I323-A325 HydrophobicContact CG2-CB 4.29Å; I323-L342 HydrophobicContact CD1-CD2 4.48Å; I323-L356 HydrophobicContact CD1-CD2 4.3Å; I323-V361 HydrophobicContact CG2-CG2 3.69Å
324	R	95.6	Very high	93.9	Very high	63 Å²	63	44.4 Å²	44.4	24%	0.238	24%	0.242	C	C	.	.			trans	-105	76.4	178.5	-71.2	179.6	173.9	73.5	-2.1	110	Q184	Q184-R324 PolarHBondContact N-O 3.4Å; Q184-R324 VanDerWaalsContact N-O 3.08Å
325	A	94.5	Very high	94.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.249	C	C	.	.			trans	-87.9	-31	-178.4	0	0	0	0	0	113.3	L309 I323 A352 V361 R364	L309-A325 HydrophobicContact CD1-CB 4.24Å; I323-A325 HydrophobicContact CG2-CB 4.29Å; A325-A352 HydrophobicContact CB-CB 3.67Å; A325-V361 HydrophobicContact CB-CG2 3.81Å; A325-R364 WeakPolarHBondContact O-CD 3.42Å
326	H	96.8	Very high	94.4	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.009	23%	0.225	C	C	.	.			trans	-121.7	152.1	-165.4	-61.7	-66.6	0	0	0	112.7	T307 S344 S346 D348 Q350	T307-H326 WeakPolarHBondContact CB-O 3.29Å; H326-S344 WeakPolarHBondContact NE2-CB 3.48Å; H326-S344 PolarHBondContact NE2-OG 2.87Å; H326-S346 WeakPolarHBondContact ND1-CB 3.49Å; H326-D348 WeakPolarHBondContact CA-OD2 3.42Å; H326-D348 WeakPolarHBondContact CB-OD2 3.48Å; H326-D348 IonicContact ND1-OD1 3.87Å; H326-D348 IonicContact ND1-OD2 3.78Å; H326-Q350 PolarHBondContact CE1-O 2.75Å
327	K	95.4	Very high	94.7	Very high	160 Å²	160	35.9 Å²	35.9	70%	0.696	21%	0.209	S	C	*	.	S	Bend	trans	-94.1	-17.5	169.8	-60.3	-176.4	-177.6	177.4	0	111.7	L183 D348	L183-K327 HydrophobicContact CD1-CD 4.23Å; L183-K327 HydrophobicContact CD1-CG 3.84Å; L183-K327 HydrophobicContact CD2-CG 4.12Å; L183-K327 HydrophobicContact CG-CG 4.15Å; K327-D348 PolarHBondContact N-OD2 2.87Å
328	G	95.7	Very high	95.1	Very high	11 Å²	11	36.3 Å²	36.3	11%	0.113	21%	0.206	C	C	.	.	S	Bend	trans	-104.9	-175.3	178.6	0	0	0	0	0	113.6	T307 S346 D348	T307-G328 WeakPolarHBondContact CA-O 3.31Å; T307-G328 WeakPolarHBondContact CB-O 3.3Å; T307-G328 VanDerWaalsContact CG2-O 3.25Å; T307-G328 WeakPolarHBondContact CG2-O 3.38Å; G328-S346 VanDerWaalsContact CA-OG 3.24Å; G328-S346 WeakPolarHBondContact CA-OG 3.49Å; G328-S346 PolarHBondContact O-OG 2.82Å; G328-D348 PolarHBondContact N-OD2 3.26Å
329	S	97.6	Very high	95.4	Very high	39 Å²	39	29.6 Å²	29.6	27%	0.273	18%	0.175	S	C	.	.			trans	-66.4	136.3	175.3	-62.1	0	0	0	0	110.2	P305 T331 S346 S347	P305-S329 WeakPolarHBondContact CB-OG 3.39Å; S329-T331 PolarHBondContact O-N 3.42Å; S329-S346 PolarHBondContact N-OG 2.96Å; S329-S346 WeakPolarHBondContact O-CA 2.98Å; S329-S346 VanDerWaalsContact O-CB 3.27Å; S329-S346 WeakPolarHBondContact O-CB 3.47Å; S329-S346 PolarHBondContact O-OG 3.05Å; S329-S347 PolarHBondContact N-OG 3.23Å; S329-S347 PolarHBondContact O-N 2.85Å
330	V	98.4	Very high	95.6	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	118.1	171.9	-178.9	0	0	0	0	108.9	T289 S304 L309 C345	T289-V330 PolarHBondContact OG1-O 2.9Å; S304-V330 PolarHBondContact O-N 3.01Å; S304-V330 VanDerWaalsContact O-N 3.15Å; L309-V330 HydrophobicContact CD2-CB 4.28Å; L309-V330 HydrophobicContact CD2-CG1 3.6Å; L309-V330 HydrophobicContact CD2-CG2 3.83Å; L309-V330 HydrophobicContact CG-CG2 4.33Å; V330-C345 WeakPolarHBondContact CA-O 3.27Å
331	T	98	Very high	95.9	Very high	31 Å²	31	27.9 Å²	27.9	19%	0.19	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	-18.4	-172.7	48.5	0	0	0	0	113.2	Q290 S329 C345 S346 L377 T378	Q290-T331 PolarHBondContact NE2-O 2.83Å; S329-T331 PolarHBondContact O-N 3.42Å; T331-C345 PolarHBondContact N-O 2.85Å; T331-C345 PolarHBondContact OG1-O 3.47Å; T331-C345 PolarHBondContact OG1-SG 3.27Å; T331-S346 WeakPolarHBondContact OG1-CA 3.28Å; T331-L377 WeakPolarHBondContact CB-O 3.3Å; T331-L377 PolarHBondContact OG1-O 3.07Å; T331-T378 WeakPolarHBondContact CB-O 3.06Å; T331-T378 VanDerWaalsContact O-O 3.11Å
332	G	97.4	Very high	96.2	Very high	2 Å²	2	26.1 Å²	26.1	2%	0.021	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	150.5	174.5	0	0	0	0	0	112	S344 C345	G332-S344 VanDerWaalsContact O-CA 3.28Å; G332-S344 WeakPolarHBondContact O-CA 3.19Å; G332-C345 WeakPolarHBondContact CA-SG 3.5Å; G332-C345 PolarHBondContact N-O 3.04Å; G332-C345 PolarHBondContact N-SG 2.97Å; G332-C345 PolarHBondContact O-N 2.81Å
333	L	97.9	Very high	96.4	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	132.8	-177.8	-163.5	65.3	0	0	0	109.3	Q290 V292 F301 L309 L342 L343 Q381	Q290-L333 HydrophobicContact CB-CB 3.71Å; Q290-L333 HydrophobicContact CB-CD2 4.16Å; Q290-L333 HydrophobicContact CG-CB 4.3Å; V292-L333 HydrophobicContact CB-CD2 4.29Å; V292-L333 HydrophobicContact CB-CG 4.47Å; V292-L333 HydrophobicContact CG2-CB 3.99Å; V292-L333 HydrophobicContact CG2-CD2 3.93Å; V292-L333 HydrophobicContact CG2-CG 3.77Å; F301-L333 HydrophobicContact CB-CD2 4.05Å; L309-L333 HydrophobicContact CD2-CD1 3.67Å; L333-L342 HydrophobicContact CD1-CD1 3.73Å; L333-L342 HydrophobicContact CD1-CD2 3.87Å; L333-L342 HydrophobicContact CD1-CG 3.85Å; L333-L342 HydrophobicContact CG-CD1 4.05Å; L333-L343 WeakPolarHBondContact CA-O 3.28Å; L333-Q381 PolarHBondContact O-NE2 3.48Å
334	S	98	Very high	96.5	Very high	6 Å²	6	23.6 Å²	23.6	4%	0.042	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	138.4	179.7	-172.2	0	0	0	0	110.1	L343 Q381 F382	S334-L343 PolarHBondContact N-O 2.93Å; S334-L343 PolarHBondContact O-N 2.91Å; S334-Q381 VanDerWaalsContact CB-OE1 3.3Å; S334-Q381 PolarHBondContact OG-OE1 2.83Å; S334-F382 PolarHBondContact OG-N 3.12Å
335	I	97.3	Very high	96.7	Very high	27 Å²	27	20.6 Å²	20.6	14%	0.138	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	139.5	177.7	-169.9	153.9	0	0	0	110.6	V292 H294 F301 L356	V292-I335 HydrophobicContact CG1-CB 3.9Å; V292-I335 HydrophobicContact CG1-CG2 3.72Å; H294-I335 WeakPolarHBondContact CD2-CD1 3.36Å; F301-I335 HydrophobicContact CD2-CD1 4.25Å; F301-I335 HydrophobicContact CE2-CD1 3.66Å; F301-I335 HydrophobicContact CZ-CD1 4.42Å; I335-L356 HydrophobicContact CD1-CD1 3.86Å; I335-L356 HydrophobicContact CG1-CD1 4.29Å
336	H	97.1	Very high	96.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.115	C	C	.	.			trans	-69.2	152	175.3	-174.7	-97.3	0	0	0	110.9	L197 T338 G339 Y341 F382 G386	L197-H336 WeakPolarHBondContact CD2-CE1 3.14Å; L197-H336 WeakPolarHBondContact CD2-NE2 3.48Å; H336-T338 WeakPolarHBondContact ND1-CG2 3.34Å; H336-T338 PolarHBondContact ND1-N 3.05Å; H336-T338 VanDerWaalsContact ND1-N 3.15Å; H336-T338 PolarHBondContact ND1-OG1 2.91Å; H336-T338 PolarHBondContact O-N 3.17Å; H336-G339 PolarHBondContact O-N 2.81Å; H336-Y341 HydrophobicContact CB-CD2 4.44Å; H336-Y341 WeakPolarHBondContact CB-O 3.39Å; H336-Y341 PolarHBondContact N-O 3.48Å; H336-F382 HydrophobicContact CB-CD2 4.12Å; H336-F382 HydrophobicContact CB-CE2 3.76Å; H336-F382 HydrophobicContact CB-CZ 4.23Å; H336-G386 VanDerWaalsContact CD2-CA 3.49Å; H336-G386 WeakPolarHBondContact CD2-CA 2.91Å; H336-G386 PolarHBondContact CD2-O 3.48Å; H336-G386 WeakPolarHBondContact NE2-CA 2.87Å; H336-G386 PolarHBondContact NE2-O 3.35Å; H336-G386 VanDerWaalsContact NE2-O 3.16Å
337	A	93.3	Very high	96.9	Very high	33 Å²	33	23 Å²	23	27%	0.273	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-6.3	-176.4	0	0	0	0	0	115.3	R200 L204	R200-A337 PolarHBondContact NE-O 3.26Å; R200-A337 VanDerWaalsContact NE-O 3.16Å; L204-A337 HydrophobicContact CD1-CB 3.5Å
338	T	94.3	Very high	96.9	Very high	32 Å²	32	17.1 Å²	17.1	20%	0.196	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-25.2	168.5	55.4	0	0	0	0	112.5	T196 R200 H336 D340 Y341	T196-T338 HydrophobicContact CG2-CG2 4.21Å; R200-T338 HydrophobicContact CB-CG2 3.75Å; R200-T338 HydrophobicContact CG-CG2 3.72Å; H336-T338 WeakPolarHBondContact ND1-CG2 3.34Å; H336-T338 PolarHBondContact ND1-N 3.05Å; H336-T338 VanDerWaalsContact ND1-N 3.15Å; H336-T338 PolarHBondContact ND1-OG1 2.91Å; H336-T338 PolarHBondContact O-N 3.17Å; T338-D340 VanDerWaalsContact C-N 3.28Å; T338-D340 PolarHBondContact OG1-N 3.45Å; T338-Y341 WeakPolarHBondContact OG1-CD2 3.32Å
339	G	94.1	Very high	97	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.01	10%	0.103	C	C	.	.	S	Bend	trans	89.4	-24.3	-168.6	0	0	0	0	0	113.8	H294 H336 Y341 L356	H294-G339 WeakPolarHBondContact NE2-CA 3.47Å; H294-G339 PolarHBondContact NE2-O 3.18Å; H336-G339 PolarHBondContact O-N 2.81Å; G339-Y341 PolarHBondContact O-N 2.83Å; G339-L356 VanDerWaalsContact O-CD1 3.29Å; G339-L356 WeakPolarHBondContact O-CD1 3.42Å
340	D	94.7	Very high	97	Very high	65 Å²	65	16.8 Å²	16.8	35%	0.348	10%	0.099	S	C	.	.	S	Bend	trans	-83	-13.5	-171.8	-53.9	-67.5	0	0	0	115.7	T338 L356	T338-D340 VanDerWaalsContact C-N 3.28Å; T338-D340 PolarHBondContact OG1-N 3.45Å; D340-L356 VanDerWaalsContact O-CB 3.3Å; D340-L356 WeakPolarHBondContact O-CB 3.4Å; D340-L356 PolarHBondContact O-N 2.99Å
341	Y	96.6	Very high	97	Very high	18 Å²	18	16.7 Å²	16.7	7%	0.071	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	147.4	-172.1	-50	-76.9	0	0	0	113.5	V193 L197 H336 T338 G339 F353 S354 D355 L362	V193-Y341 HydrophobicContact CG1-CE1 3.89Å; V193-Y341 HydrophobicContact CG1-CE2 4.24Å; V193-Y341 HydrophobicContact CG2-CE1 4.29Å; V193-Y341 WeakPolarHBondContact CG2-OH 3.38Å; L197-Y341 HydrophobicContact CD2-CD2 3.67Å; L197-Y341 HydrophobicContact CD2-CE2 3.64Å; H336-Y341 HydrophobicContact CB-CD2 4.44Å; H336-Y341 WeakPolarHBondContact CB-O 3.39Å; H336-Y341 PolarHBondContact N-O 3.48Å; T338-Y341 WeakPolarHBondContact OG1-CD2 3.32Å; G339-Y341 PolarHBondContact O-N 2.83Å; Y341-F353 VanDerWaalsContact CB-CZ 3.41Å; Y341-F353 HydrophobicContact CD1-CE1 4.17Å; Y341-F353 HydrophobicContact CD1-CE2 4.42Å; Y341-F353 AromaticContact CD1-CZ 3.83Å; Y341-F353 HydrophobicContact CD1-CZ 3.83Å; Y341-F353 AromaticContact CD2-CZ 3.9Å; Y341-F353 HydrophobicContact CD2-CZ 3.9Å; Y341-F353 HydrophobicContact CG-CE1 4.23Å; Y341-F353 AromaticContact CG-CE2 3.85Å; Y341-F353 HydrophobicContact CG-CE2 3.85Å; Y341-F353 AromaticContact CG-CZ 3.43Å; Y341-F353 HydrophobicContact CG-CZ 3.43Å; Y341-F353 VanDerWaalsContact CG-CZ 3.43Å; Y341-S354 CarbonylContact C-O 3.59Å; Y341-S354 VanDerWaalsContact CA-O 3.29Å; Y341-S354 WeakPolarHBondContact CA-O 3.3Å; Y341-D355 HydrophobicContact CD1-CB 4.45Å; Y341-L362 HydrophobicContact CD1-CD1 3.83Å; Y341-L362 HydrophobicContact CE1-CD1 3.88Å
342	L	97.4	Very high	96.9	Very high	3 Å²	3	15.2 Å²	15.2	2%	0.016	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	127.2	-177	-171.4	71.3	0	0	0	110.8	F301 L309 I323 L333 F353 S354 L356	F301-L342 HydrophobicContact CB-CD1 4.23Å; F301-L342 HydrophobicContact CD1-CD2 4.45Å; F301-L342 HydrophobicContact CG-CD1 4.19Å; L309-L342 HydrophobicContact CD1-CD2 4.22Å; I323-L342 HydrophobicContact CD1-CD2 4.48Å; L333-L342 HydrophobicContact CD1-CD1 3.73Å; L333-L342 HydrophobicContact CD1-CD2 3.87Å; L333-L342 HydrophobicContact CD1-CG 3.85Å; L333-L342 HydrophobicContact CG-CD1 4.05Å; L342-F353 WeakPolarHBondContact O-CA 3.46Å; L342-S354 PolarHBondContact N-O 2.84Å; L342-S354 PolarHBondContact O-N 2.79Å; L342-L356 HydrophobicContact CB-CD1 4.11Å; L342-L356 HydrophobicContact CB-CD2 3.5Å; L342-L356 HydrophobicContact CB-CG 3.85Å; L342-L356 HydrophobicContact CD2-CD2 3.81Å; L342-L356 HydrophobicContact CG-CD2 4.16Å
343	L	98.4	Very high	96.9	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	134	164.3	170.7	62.3	0	0	0	109.1	L333 S334 W351 A352 A380 F382 L389	L333-L343 WeakPolarHBondContact CA-O 3.28Å; S334-L343 PolarHBondContact N-O 2.93Å; S334-L343 PolarHBondContact O-N 2.91Å; L343-W351 HydrophobicContact CD1-CB 4.07Å; L343-W351 HydrophobicContact CD1-CE3 4.13Å; L343-A352 WeakPolarHBondContact CA-O 3.44Å; L343-A380 HydrophobicContact CD2-CB 3.97Å; L343-A380 HydrophobicContact CG-CB 4.19Å; L343-F382 HydrophobicContact CB-CD2 3.73Å; L343-F382 HydrophobicContact CB-CE1 4.37Å; L343-F382 HydrophobicContact CB-CE2 3.2Å; L343-F382 HydrophobicContact CB-CZ 3.55Å; L343-F382 HydrophobicContact CD2-CD1 4.4Å; L343-F382 HydrophobicContact CD2-CD2 4.22Å; L343-F382 HydrophobicContact CD2-CE1 4.44Å; L343-F382 HydrophobicContact CD2-CE2 4.32Å; L343-F382 HydrophobicContact CD2-CG 4.27Å; L343-F382 HydrophobicContact CD2-CZ 4.4Å; L343-F382 HydrophobicContact CG-CE2 4.38Å; L343-F382 HydrophobicContact CG-CZ 4.49Å; L343-L389 HydrophobicContact CD1-CD1 4.43Å; L343-L389 HydrophobicContact CD1-CD2 3.7Å; L343-L389 HydrophobicContact CD2-CB 3.7Å; L343-L389 HydrophobicContact CD2-CD1 4.21Å; L343-L389 HydrophobicContact CD2-CD2 3.92Å; L343-L389 HydrophobicContact CD2-CG 4.15Å; L343-L389 HydrophobicContact CG-CD2 4.41Å
344	S	98.5	Very high	96.9	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	148.2	168.6	54.4	0	0	0	0	109.9	L309 H326 G332 W351 A352	L309-S344 VanDerWaalsContact CD1-OG 3.32Å; L309-S344 WeakPolarHBondContact CD1-OG 3.46Å; H326-S344 WeakPolarHBondContact NE2-CB 3.48Å; H326-S344 PolarHBondContact NE2-OG 2.87Å; G332-S344 VanDerWaalsContact O-CA 3.28Å; G332-S344 WeakPolarHBondContact O-CA 3.19Å; S344-W351 CarbonylContact O-C 3.45Å; S344-W351 VanDerWaalsContact O-CA 3.25Å; S344-W351 WeakPolarHBondContact O-CA 3.36Å; S344-A352 PolarHBondContact N-O 3.04Å; S344-A352 PolarHBondContact O-N 3.39Å
345	C	98.3	Very high	96.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	161.8	169.7	73.2	0	0	0	0	111.4	V330 T331 G332 Q350 W351 L377 A380	V330-C345 WeakPolarHBondContact CA-O 3.27Å; T331-C345 PolarHBondContact N-O 2.85Å; T331-C345 PolarHBondContact OG1-O 3.47Å; T331-C345 PolarHBondContact OG1-SG 3.27Å; G332-C345 WeakPolarHBondContact CA-SG 3.5Å; G332-C345 PolarHBondContact N-O 3.04Å; G332-C345 PolarHBondContact N-SG 2.97Å; G332-C345 PolarHBondContact O-N 2.81Å; C345-Q350 WeakPolarHBondContact CA-O 3.22Å; C345-W351 HydrophobicContact CB-CB 4.18Å; C345-L377 HydrophobicContact CB-CB 3.89Å; C345-L377 HydrophobicContact CB-CD1 3.74Å; C345-L377 HydrophobicContact CB-CG 4.48Å; C345-A380 HydrophobicContact CB-CB 3.69Å; C345-A380 WeakPolarHBondContact SG-CB 3.45Å
346	S	98.4	Very high	96.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	159.2	-174	-179.8	0	0	0	0	114.3	H326 G328 S329 T331 D348 G349 Q350 L377	H326-S346 WeakPolarHBondContact ND1-CB 3.49Å; G328-S346 VanDerWaalsContact CA-OG 3.24Å; G328-S346 WeakPolarHBondContact CA-OG 3.49Å; G328-S346 PolarHBondContact O-OG 2.82Å; S329-S346 PolarHBondContact N-OG 2.96Å; S329-S346 WeakPolarHBondContact O-CA 2.98Å; S329-S346 VanDerWaalsContact O-CB 3.27Å; S329-S346 WeakPolarHBondContact O-CB 3.47Å; S329-S346 PolarHBondContact O-OG 3.05Å; T331-S346 WeakPolarHBondContact OG1-CA 3.28Å; S346-D348 VanDerWaalsContact CB-OD1 3.27Å; S346-D348 WeakPolarHBondContact CB-OD1 3.49Å; S346-D348 PolarHBondContact O-N 2.89Å; S346-D348 PolarHBondContact OG-N 3.09Å; S346-G349 PolarHBondContact O-N 3.08Å; S346-Q350 PolarHBondContact N-O 3.34Å; S346-L377 CarbonylContact C-O 3.59Å; S346-L377 WeakPolarHBondContact O-CB 3.38Å; S346-L377 PolarHBondContact O-N 3.39Å; S346-L377 VanDerWaalsContact O-N 3.16Å
347	S	97.5	Very high	95.8	Very high	53 Å²	53	25.1 Å²	25.1	37%	0.371	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-11.2	168.6	70.3	0	0	0	0	114	S329 G349 A376	S329-S347 PolarHBondContact N-OG 3.23Å; S329-S347 PolarHBondContact O-N 2.85Å; S347-G349 PolarHBondContact O-N 3.15Å; S347-A376 WeakPolarHBondContact O-CB 3.33Å
348	D	96.8	Very high	95.4	Very high	36 Å²	36	28.6 Å²	28.6	19%	0.193	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-2.3	169	64.5	18.5	0	0	0	113.3	H326 K327 G328 S346 Q350 I374	H326-D348 WeakPolarHBondContact CA-OD2 3.42Å; H326-D348 WeakPolarHBondContact CB-OD2 3.48Å; H326-D348 IonicContact ND1-OD1 3.87Å; H326-D348 IonicContact ND1-OD2 3.78Å; K327-D348 PolarHBondContact N-OD2 2.87Å; G328-D348 PolarHBondContact N-OD2 3.26Å; S346-D348 VanDerWaalsContact CB-OD1 3.27Å; S346-D348 WeakPolarHBondContact CB-OD1 3.49Å; S346-D348 PolarHBondContact O-N 2.89Å; S346-D348 PolarHBondContact OG-N 3.09Å; D348-Q350 VanDerWaalsContact C-N 3.34Å; D348-Q350 WeakPolarHBondContact OD1-CB 3.29Å; D348-Q350 PolarHBondContact OD1-N 3.28Å; D348-I374 WeakPolarHBondContact O-CG2 3.35Å
349	G	96.5	Very high	95	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	80.4	13	178.8	0	0	0	0	0	113.9	S346 S347 A367 Q375	S346-G349 PolarHBondContact O-N 3.08Å; S347-G349 PolarHBondContact O-N 3.15Å; G349-A367 WeakPolarHBondContact O-CB 3.33Å; G349-A367 PolarHBondContact O-N 3.12Å; G349-Q375 WeakPolarHBondContact CA-O 3.41Å
350	Q	97.7	Very high	94.8	Very high	42 Å²	42	32.2 Å²	32.2	20%	0.196	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	143.4	175	-54.9	-163.1	-47.7	0	0	111.7	H326 C345 S346 D348 I365 S366	H326-Q350 PolarHBondContact CE1-O 2.75Å; C345-Q350 WeakPolarHBondContact CA-O 3.22Å; S346-Q350 PolarHBondContact N-O 3.34Å; D348-Q350 VanDerWaalsContact C-N 3.34Å; D348-Q350 WeakPolarHBondContact OD1-CB 3.29Å; D348-Q350 PolarHBondContact OD1-N 3.28Å; Q350-I365 VanDerWaalsContact CA-O 3.28Å; Q350-I365 WeakPolarHBondContact CA-O 3.29Å; Q350-S366 PolarHBondContact NE2-OG 2.74Å
351	W	98	Very high	94.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	145	157.6	63	-96	0	0	0	109.2	L343 S344 C345 F353 V363 R364 I365 L377 L389 T391 W401	L343-W351 HydrophobicContact CD1-CB 4.07Å; L343-W351 HydrophobicContact CD1-CE3 4.13Å; S344-W351 CarbonylContact O-C 3.45Å; S344-W351 VanDerWaalsContact O-CA 3.25Å; S344-W351 WeakPolarHBondContact O-CA 3.36Å; C345-W351 HydrophobicContact CB-CB 4.18Å; W351-F353 HydrophobicContact CZ3-CB 4.18Å; W351-V363 HydrophobicContact CZ3-CG2 4.31Å; W351-R364 WeakPolarHBondContact O-CA 3.3Å; W351-I365 HydrophobicContact CD2-CB 4.08Å; W351-I365 VanDerWaalsContact CE2-CB 3.49Å; W351-I365 HydrophobicContact CH2-CB 4.13Å; W351-I365 HydrophobicContact CH2-CG1 3.61Å; W351-I365 HydrophobicContact CZ2-CB 3.53Å; W351-I365 HydrophobicContact CZ2-CG1 3.48Å; W351-I365 VanDerWaalsContact CZ2-CG1 3.48Å; W351-I365 HydrophobicContact CZ2-CG2 3.88Å; W351-I365 HydrophobicContact CZ3-CG1 4.2Å; W351-I365 PolarHBondContact N-O 2.95Å; W351-I365 PolarHBondContact O-N 3.49Å; W351-L377 HydrophobicContact CB-CD1 3.95Å; W351-L389 HydrophobicContact CD2-CD1 4.46Å; W351-L389 HydrophobicContact CD2-CD2 4.2Å; W351-L389 HydrophobicContact CE3-CD2 3.94Å; W351-L389 HydrophobicContact CG-CD1 4.48Å; W351-L389 HydrophobicContact CH2-CD2 4.36Å; W351-L389 HydrophobicContact CZ3-CD2 4.04Å; W351-T391 HydrophobicContact CB-CG2 4.46Å; W351-W401 AromaticContact CD1-CE2 3.86Å; W351-W401 AromaticContact CE2-CD2 3.98Å; W351-W401 HydrophobicContact CZ2-CB 4.23Å; W351-W401 HydrophobicContact CZ2-CD2 4.3Å; W351-W401 HydrophobicContact CZ2-CE3 4.03Å; W351-W401 HydrophobicContact CZ2-CG 4.4Å; W351-W401 AromaticContact NE1-CD2 3.21Å; W351-W401 AromaticContact NE1-CE2 3.43Å; W351-W401 AromaticContact NE1-CE3 3.36Å; W351-W401 AromaticContact NE1-CG 3.69Å; W351-W401 AromaticContact NE1-CH2 3.97Å; W351-W401 AromaticContact NE1-CZ2 3.82Å; W351-W401 AromaticContact NE1-CZ3 3.75Å; W351-W401 AromaticContact NE1-NE1 3.93Å
352	A	97.7	Very high	94.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	139.2	-178.5	0	0	0	0	0	110.2	A325 L343 S344 V361 V363 R364	A325-A352 HydrophobicContact CB-CB 3.67Å; L343-A352 WeakPolarHBondContact CA-O 3.44Å; S344-A352 PolarHBondContact N-O 3.04Å; S344-A352 PolarHBondContact O-N 3.39Å; A352-V361 HydrophobicContact CB-CG1 4.49Å; A352-V363 VanDerWaalsContact CA-O 3.31Å; A352-V363 WeakPolarHBondContact CA-O 3.33Å; A352-R364 HydrophobicContact CB-CG 3.83Å
353	F	97.3	Very high	94.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	122.6	173.2	-174	-127.9	0	0	0	108.4	I189 V193 L197 Y341 L342 W351 L362 V363 F382 V403	I189-F353 HydrophobicContact CD1-CD1 3.89Å; I189-F353 HydrophobicContact CD1-CE1 4.29Å; I189-F353 HydrophobicContact CG1-CD1 4.22Å; V193-F353 HydrophobicContact CG1-CE1 4.31Å; L197-F353 HydrophobicContact CD1-CE1 4.31Å; L197-F353 HydrophobicContact CD1-CZ 4.14Å; L197-F353 HydrophobicContact CD2-CZ 4.24Å; Y341-F353 VanDerWaalsContact CB-CZ 3.41Å; Y341-F353 HydrophobicContact CD1-CE1 4.17Å; Y341-F353 HydrophobicContact CD1-CE2 4.42Å; Y341-F353 AromaticContact CD1-CZ 3.83Å; Y341-F353 HydrophobicContact CD1-CZ 3.83Å; Y341-F353 AromaticContact CD2-CZ 3.9Å; Y341-F353 HydrophobicContact CD2-CZ 3.9Å; Y341-F353 HydrophobicContact CG-CE1 4.23Å; Y341-F353 AromaticContact CG-CE2 3.85Å; Y341-F353 HydrophobicContact CG-CE2 3.85Å; Y341-F353 AromaticContact CG-CZ 3.43Å; Y341-F353 HydrophobicContact CG-CZ 3.43Å; Y341-F353 VanDerWaalsContact CG-CZ 3.43Å; L342-F353 WeakPolarHBondContact O-CA 3.46Å; W351-F353 HydrophobicContact CZ3-CB 4.18Å; F353-L362 HydrophobicContact CD1-CB 4.2Å; F353-L362 HydrophobicContact CD1-CD1 3.62Å; F353-L362 HydrophobicContact CD1-CG 4.44Å; F353-L362 HydrophobicContact CE1-CD1 3.62Å; F353-L362 WeakPolarHBondContact O-CA 3.45Å; F353-L362 VanDerWaalsContact O-CB 3.3Å; F353-L362 WeakPolarHBondContact O-CB 3.29Å; F353-L362 PolarHBondContact O-N 2.9Å; F353-V363 HydrophobicContact CB-CG2 3.83Å; F353-V363 PolarHBondContact N-O 2.9Å; F353-V363 PolarHBondContact O-N 2.75Å; F353-F382 AromaticContact CD2-CZ 3.68Å; F353-F382 HydrophobicContact CD2-CZ 3.68Å; F353-F382 HydrophobicContact CE2-CE1 4.37Å; F353-F382 HydrophobicContact CE2-CE2 4.29Å; F353-F382 AromaticContact CE2-CZ 3.52Å; F353-F382 HydrophobicContact CE2-CZ 3.52Å; F353-V403 HydrophobicContact CD1-CG1 4.36Å; F353-V403 HydrophobicContact CE1-CG1 4.21Å; F353-V403 HydrophobicContact CZ-CG1 4.32Å
354	S	96.7	Very high	94.6	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	144.1	-170.7	-52.5	0	0	0	0	111.5	Y341 L342 R360	Y341-S354 CarbonylContact C-O 3.59Å; Y341-S354 VanDerWaalsContact CA-O 3.29Å; Y341-S354 WeakPolarHBondContact CA-O 3.3Å; L342-S354 PolarHBondContact N-O 2.84Å; L342-S354 PolarHBondContact O-N 2.79Å; S354-R360 CarbonylContact C-O 3.55Å; S354-R360 VanDerWaalsContact CA-O 3.22Å; S354-R360 WeakPolarHBondContact CA-O 3.49Å; S354-R360 WeakPolarHBondContact CB-O 3.38Å
355	D	93.8	Very high	94.5	Very high	21 Å²	21	31.8 Å²	31.8	11%	0.112	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	121.2	171.2	178.5	-26.4	0	0	0	109.3	Y341 R357 H358 G359 R360 L362	Y341-D355 HydrophobicContact CD1-CB 4.45Å; D355-R357 WeakPolarHBondContact OD1-CA 3.28Å; D355-R357 WeakPolarHBondContact OD1-CB 3.14Å; D355-R357 PolarHBondContact OD1-N 2.83Å; D355-H358 PolarHBondContact OD1-N 2.77Å; D355-H358 IonicContact OD1-ND1 3.47Å; D355-H358 PolarHBondContact OD1-ND1 2.99Å; D355-H358 IonicContact OD2-CE1 3.68Å; D355-H358 IonicContact OD2-CG 3.7Å; D355-H358 IonicContact OD2-ND1 2.73Å; D355-H358 PolarHBondContact OD2-ND1 3.27Å; D355-G359 VanDerWaalsContact O-CA 3.26Å; D355-G359 WeakPolarHBondContact O-CA 3.49Å; D355-G359 PolarHBondContact O-N 3.4Å; D355-R360 PolarHBondContact N-O 3.24Å; D355-R360 PolarHBondContact O-N 2.72Å; D355-L362 HydrophobicContact CB-CD1 4.44Å; D355-L362 HydrophobicContact CB-CD2 3.99Å; D355-L362 HydrophobicContact CB-CG 4.23Å
356	L	90.2	Very high	94.4	Very high	19 Å²	19	33.7 Å²	33.7	10%	0.099	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-33.6	-177.3	-69.1	173.9	0	0	0	112.9	F301 V311 I323 I335 G339 D340 L342	F301-L356 HydrophobicContact CD1-CD2 3.64Å; F301-L356 HydrophobicContact CE1-CB 4.37Å; F301-L356 HydrophobicContact CE1-CD1 3.82Å; F301-L356 HydrophobicContact CE1-CD2 3.24Å; F301-L356 HydrophobicContact CE1-CG 3.98Å; F301-L356 HydrophobicContact CE2-CD1 4.01Å; F301-L356 HydrophobicContact CZ-CD1 3.5Å; F301-L356 HydrophobicContact CZ-CD2 3.89Å; F301-L356 HydrophobicContact CZ-CG 4.15Å; V311-L356 HydrophobicContact CG2-CD2 4.42Å; I323-L356 HydrophobicContact CD1-CD2 4.3Å; I335-L356 HydrophobicContact CD1-CD1 3.86Å; I335-L356 HydrophobicContact CG1-CD1 4.29Å; G339-L356 VanDerWaalsContact O-CD1 3.29Å; G339-L356 WeakPolarHBondContact O-CD1 3.42Å; D340-L356 VanDerWaalsContact O-CB 3.3Å; D340-L356 WeakPolarHBondContact O-CB 3.4Å; D340-L356 PolarHBondContact O-N 2.99Å; L342-L356 HydrophobicContact CB-CD1 4.11Å; L342-L356 HydrophobicContact CB-CD2 3.5Å; L342-L356 HydrophobicContact CB-CG 3.85Å; L342-L356 HydrophobicContact CD2-CD2 3.81Å; L342-L356 HydrophobicContact CG-CD2 4.16Å
357	R	85.7	Confident	94.2	Very high	205 Å²	205	33.7 Å²	33.7	77%	0.774	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-39.9	-178.3	-175.9	174.1	179	165.2	0.4	111.4	D355	D355-R357 WeakPolarHBondContact OD1-CA 3.28Å; D355-R357 WeakPolarHBondContact OD1-CB 3.14Å; D355-R357 PolarHBondContact OD1-N 2.83Å
358	H	84.6	Confident	94	Very high	105 Å²	105	34.1 Å²	34.1	49%	0.486	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-11.1	179.7	-57.1	105.3	0	0	0	113.5	D355 R360	D355-H358 PolarHBondContact OD1-N 2.77Å; D355-H358 IonicContact OD1-ND1 3.47Å; D355-H358 PolarHBondContact OD1-ND1 2.99Å; D355-H358 IonicContact OD2-CE1 3.68Å; D355-H358 IonicContact OD2-CG 3.7Å; D355-H358 IonicContact OD2-ND1 2.73Å; D355-H358 PolarHBondContact OD2-ND1 3.27Å; H358-R360 HydrophobicContact CB-CB 4.49Å; H358-R360 HydrophobicContact CB-CG 3.95Å
359	G	86.4	Confident	93.6	Very high	4 Å²	4	34.8 Å²	34.8	4%	0.041	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	46.5	-174.6	0	0	0	0	0	111.8	Q184 D355	Q184-G359 PolarHBondContact NE2-O 2.96Å; Q184-G359 PolarHBondContact OE1-O 2.9Å; Q184-G359 VanDerWaalsContact OE1-O 3.09Å; D355-G359 VanDerWaalsContact O-CA 3.26Å; D355-G359 WeakPolarHBondContact O-CA 3.49Å; D355-G359 PolarHBondContact O-N 3.4Å
360	R	90.5	Very high	93	Very high	105 Å²	105	44.5 Å²	44.5	40%	0.396	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	144.5	-175.4	-65.2	-178.6	-176.1	176.5	-1	111.8	S354 D355 H358	S354-R360 CarbonylContact C-O 3.55Å; S354-R360 VanDerWaalsContact CA-O 3.22Å; S354-R360 WeakPolarHBondContact CA-O 3.49Å; S354-R360 WeakPolarHBondContact CB-O 3.38Å; D355-R360 PolarHBondContact N-O 3.24Å; D355-R360 PolarHBondContact O-N 2.72Å; H358-R360 HydrophobicContact CB-CB 4.49Å; H358-R360 HydrophobicContact CB-CG 3.95Å
361	V	94.9	Very high	92.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	123.5	169.7	-176.7	0	0	0	0	108.8	Q184 E186 T187 I323 A325 A352 R364	Q184-V361 HydrophobicContact CB-CG2 4.09Å; E186-V361 HydrophobicContact CG-CG1 4.15Å; T187-V361 PolarHBondContact N-O 2.82Å; T187-V361 VanDerWaalsContact N-O 3.13Å; T187-V361 PolarHBondContact OG1-O 3.19Å; I323-V361 HydrophobicContact CG2-CG2 3.69Å; A325-V361 HydrophobicContact CB-CG2 3.81Å; A352-V361 HydrophobicContact CB-CG1 4.49Å; V361-R364 HydrophobicContact CG1-CG 3.86Å
362	L	94.8	Very high	92	Very high	7 Å²	7	49 Å²	49	4%	0.037	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-53.7	174.6	-58.5	-178.9	0	0	0	109.4	T187 G188 I189 V193 Y341 F353 D355	T187-L362 PolarHBondContact N-O 2.51Å; T187-L362 VanDerWaalsContact OG1-CD2 3.3Å; T187-L362 WeakPolarHBondContact OG1-CD2 3.2Å; G188-L362 VanDerWaalsContact CA-O 3.3Å; G188-L362 WeakPolarHBondContact CA-O 3.26Å; G188-L362 PolarHBondContact N-O 2.87Å; I189-L362 HydrophobicContact CG1-CB 4.27Å; V193-L362 HydrophobicContact CG1-CD1 4.43Å; Y341-L362 HydrophobicContact CD1-CD1 3.83Å; Y341-L362 HydrophobicContact CE1-CD1 3.88Å; F353-L362 HydrophobicContact CD1-CB 4.2Å; F353-L362 HydrophobicContact CD1-CD1 3.62Å; F353-L362 HydrophobicContact CD1-CG 4.44Å; F353-L362 HydrophobicContact CE1-CD1 3.62Å; F353-L362 WeakPolarHBondContact O-CA 3.45Å; F353-L362 VanDerWaalsContact O-CB 3.3Å; F353-L362 WeakPolarHBondContact O-CB 3.29Å; F353-L362 PolarHBondContact O-N 2.9Å; D355-L362 HydrophobicContact CB-CD1 4.44Å; D355-L362 HydrophobicContact CB-CD2 3.99Å; D355-L362 HydrophobicContact CB-CG 4.23Å
363	V	96.1	Very high	91.7	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.018	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	155.6	-179.5	-68.8	0	0	0	0	112.4	I189 W351 A352 F353	I189-V363 HydrophobicContact CD1-CG1 4.39Å; I189-V363 HydrophobicContact CD1-CG2 3.9Å; I189-V363 HydrophobicContact CG1-CG1 3.91Å; I189-V363 HydrophobicContact CG1-CG2 4.11Å; W351-V363 HydrophobicContact CZ3-CG2 4.31Å; A352-V363 VanDerWaalsContact CA-O 3.31Å; A352-V363 WeakPolarHBondContact CA-O 3.33Å; F353-V363 HydrophobicContact CB-CG2 3.83Å; F353-V363 PolarHBondContact N-O 2.9Å; F353-V363 PolarHBondContact O-N 2.75Å
364	R	95.8	Very high	91.6	Very high	31 Å²	31	57.1 Å²	57.1	12%	0.117	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	134	167.2	-68.6	175.6	-72.2	-117.2	-6.5	110.7	Q184 E186 A325 W351 A352 V361	Q184-R364 VanDerWaalsContact O-CZ 3.26Å; Q184-R364 PolarHBondContact O-NH1 3.31Å; Q184-R364 PolarHBondContact O-NH2 3Å; E186-R364 IonicContact OE1-CZ 3.22Å; E186-R364 IonicContact OE1-NE 2.8Å; E186-R364 PolarHBondContact OE1-NE 2.93Å; E186-R364 IonicContact OE1-NH2 2.89Å; E186-R364 PolarHBondContact OE1-NH2 2.94Å; E186-R364 PolarHBondContact OE2-N 2.68Å; A325-R364 WeakPolarHBondContact O-CD 3.42Å; W351-R364 WeakPolarHBondContact O-CA 3.3Å; A352-R364 HydrophobicContact CB-CG 3.83Å; V361-R364 HydrophobicContact CG1-CG 3.86Å
365	I	96.7	Very high	91.4	Very high	37 Å²	37	57.8 Å²	57.8	19%	0.19	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.5	-176.7	-56.6	-64.2	0	0	0	109.2	Q350 W351 W401 R406	Q350-I365 VanDerWaalsContact CA-O 3.28Å; Q350-I365 WeakPolarHBondContact CA-O 3.29Å; W351-I365 HydrophobicContact CD2-CB 4.08Å; W351-I365 VanDerWaalsContact CE2-CB 3.49Å; W351-I365 HydrophobicContact CH2-CB 4.13Å; W351-I365 HydrophobicContact CH2-CG1 3.61Å; W351-I365 HydrophobicContact CZ2-CB 3.53Å; W351-I365 HydrophobicContact CZ2-CG1 3.48Å; W351-I365 VanDerWaalsContact CZ2-CG1 3.48Å; W351-I365 HydrophobicContact CZ2-CG2 3.88Å; W351-I365 HydrophobicContact CZ3-CG1 4.2Å; W351-I365 PolarHBondContact N-O 2.95Å; W351-I365 PolarHBondContact O-N 3.49Å; I365-W401 HydrophobicContact CG2-CE3 4.22Å; I365-W401 HydrophobicContact CG2-CH2 4.34Å; I365-W401 HydrophobicContact CG2-CZ3 3.69Å; I365-R406 HydrophobicContact CD1-CB 3.91Å; I365-R406 HydrophobicContact CD1-CG 4.49Å; I365-R406 HydrophobicContact CG1-CB 4.25Å
366	S	96.3	Very high	91.5	Very high	39 Å²	39	58.5 Å²	58.5	27%	0.273	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	126.7	175.9	-67.3	0	0	0	0	111.3	Q350 V368	Q350-S366 PolarHBondContact NE2-OG 2.74Å; S366-V368 PolarHBondContact O-N 3.39Å
367	A	94.3	Very high	91.9	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.302	C	S	.	.			trans	-73.9	111.1	164.9	0	0	0	0	0	109.4	G349 I374 Q375 L377 K399 W401	G349-A367 WeakPolarHBondContact O-CB 3.33Å; G349-A367 PolarHBondContact O-N 3.12Å; A367-I374 WeakPolarHBondContact O-CA 3.28Å; A367-Q375 PolarHBondContact O-N 2.87Å; A367-L377 HydrophobicContact CB-CD1 4.18Å; A367-L377 HydrophobicContact CB-CD2 3.55Å; A367-L377 HydrophobicContact CB-CG 4.01Å; A367-K399 HydrophobicContact CB-CD 4.17Å; A367-W401 HydrophobicContact CB-CH2 4.24Å; A367-W401 HydrophobicContact CB-CZ2 3.8Å
368	V	93.4	Very high	92.4	Very high	63 Å²	63	49.6 Å²	49.6	38%	0.382	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-112.2	148.9	176.1	-63.1	0	0	0	0	110.8	S366 S373 I374 K399	S366-V368 PolarHBondContact O-N 3.39Å; V368-S373 CarbonylContact C-O 3.34Å; V368-S373 VanDerWaalsContact CA-O 3.25Å; V368-S373 WeakPolarHBondContact CA-O 3.38Å; V368-I374 HydrophobicContact CG1-CG1 4.41Å; V368-K399 PolarHBondContact O-NZ 3.42Å
369	D	88.3	Confident	93	Very high	49 Å²	49	45.2 Å²	45.2	26%	0.262	26%	0.257	S	S	.	.			trans	-77.5	-173.1	170.4	78.3	-13.3	0	0	0	111	S371 G372 S373 Q375	D369-S371 VanDerWaalsContact CG-N 3.34Å; D369-S371 PolarHBondContact O-N 2.91Å; D369-S371 VanDerWaalsContact OD1-CA 3.3Å; D369-S371 WeakPolarHBondContact OD1-CA 3.27Å; D369-S371 WeakPolarHBondContact OD1-CB 3.26Å; D369-S371 PolarHBondContact OD1-N 3.39Å; D369-S371 PolarHBondContact OD1-OG 2.89Å; D369-S371 WeakPolarHBondContact OD2-CB 3.29Å; D369-S371 PolarHBondContact OD2-OG 2.87Å; D369-G372 PolarHBondContact O-N 2.76Å; D369-G372 PolarHBondContact OD1-N 3.28Å; D369-S373 PolarHBondContact N-O 3.29Å; D369-S373 PolarHBondContact OD1-N 2.86Å; D369-Q375 HydrophobicContact CB-CG 3.89Å
370	K	84.6	Confident	93.6	Very high	204 Å²	204	45.1 Å²	45.1	89%	0.887	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-19.7	175.9	-63.5	-179.2	-176.7	175.3	0	113.7
371	S	86.9	Confident	93.9	Very high	87 Å²	87	43 Å²	43	61%	0.608	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-10.4	176.9	76.4	0	0	0	0	113	D369 S373	D369-S371 VanDerWaalsContact CG-N 3.34Å; D369-S371 PolarHBondContact O-N 2.91Å; D369-S371 VanDerWaalsContact OD1-CA 3.3Å; D369-S371 WeakPolarHBondContact OD1-CA 3.27Å; D369-S371 WeakPolarHBondContact OD1-CB 3.26Å; D369-S371 PolarHBondContact OD1-N 3.39Å; D369-S371 PolarHBondContact OD1-OG 2.89Å; D369-S371 WeakPolarHBondContact OD2-CB 3.29Å; D369-S371 PolarHBondContact OD2-OG 2.87Å; S371-S373 PolarHBondContact OG-OG 3.38Å
372	G	87	Confident	94.1	Very high	50 Å²	50	43.6 Å²	43.6	52%	0.515	25%	0.253	S	S	.	.	S	Bend	trans	88.9	5.1	-173.4	0	0	0	0	0	113.7	D369	D369-G372 PolarHBondContact O-N 2.76Å; D369-G372 PolarHBondContact OD1-N 3.28Å
373	S	92.1	Very high	94.2	Very high	66 Å²	66	43.6 Å²	43.6	46%	0.462	25%	0.253	S	S	.	.			trans	-77.2	138.4	176.9	-59.7	0	0	0	0	110.8	V368 D369 S371	V368-S373 CarbonylContact C-O 3.34Å; V368-S373 VanDerWaalsContact CA-O 3.25Å; V368-S373 WeakPolarHBondContact CA-O 3.38Å; D369-S373 PolarHBondContact N-O 3.29Å; D369-S373 PolarHBondContact OD1-N 2.86Å; S371-S373 PolarHBondContact OG-OG 3.38Å
374	I	93.9	Very high	94	Very high	105 Å²	105	44.4 Å²	44.4	54%	0.538	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-71.2	130.8	179.3	-59.2	175.7	0	0	0	109.7	D348 A367 V368	D348-I374 WeakPolarHBondContact O-CG2 3.35Å; A367-I374 WeakPolarHBondContact O-CA 3.28Å; V368-I374 HydrophobicContact CG1-CG1 4.41Å
375	Q	93.4	Very high	93.8	Very high	13 Å²	13	44.1 Å²	44.1	6%	0.061	26%	0.259	C	S	.	.			trans	-107	125.6	177.2	-62	-176.6	-70.6	0	0	110.2	G349 A367 D369 L377 T393 D395 E397	G349-Q375 WeakPolarHBondContact CA-O 3.41Å; A367-Q375 PolarHBondContact O-N 2.87Å; D369-Q375 HydrophobicContact CB-CG 3.89Å; Q375-L377 PolarHBondContact O-N 2.69Å; Q375-T393 HydrophobicContact CB-CG2 4.16Å; Q375-D395 PolarHBondContact NE2-OD2 2.84Å; Q375-E397 PolarHBondContact OE1-OE2 2.86Å
376	A	95.7	Very high	93.6	Very high	36 Å²	36	42.4 Å²	42.4	30%	0.298	25%	0.25	S	S	.	.			trans	-61.1	131.2	176.9	0	0	0	0	0	110.9	S347 T393 A394	S347-A376 WeakPolarHBondContact O-CB 3.33Å; A376-T393 CarbonylContact O-C 3.5Å; A376-T393 WeakPolarHBondContact O-CA 3.08Å; A376-A394 HydrophobicContact CB-CB 4.15Å; A376-A394 PolarHBondContact O-N 3.27Å
377	L	98	Very high	93.5	Very high	1 Å²	1	43 Å²	43	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	137.1	177.5	-61.8	-178.7	0	0	0	110.5	T331 C345 S346 W351 A367 Q375 T391 G392 T393	T331-L377 WeakPolarHBondContact CB-O 3.3Å; T331-L377 PolarHBondContact OG1-O 3.07Å; C345-L377 HydrophobicContact CB-CB 3.89Å; C345-L377 HydrophobicContact CB-CD1 3.74Å; C345-L377 HydrophobicContact CB-CG 4.48Å; S346-L377 CarbonylContact C-O 3.59Å; S346-L377 WeakPolarHBondContact O-CB 3.38Å; S346-L377 PolarHBondContact O-N 3.39Å; S346-L377 VanDerWaalsContact O-N 3.16Å; W351-L377 HydrophobicContact CB-CD1 3.95Å; A367-L377 HydrophobicContact CB-CD1 4.18Å; A367-L377 HydrophobicContact CB-CD2 3.55Å; A367-L377 HydrophobicContact CB-CG 4.01Å; Q375-L377 PolarHBondContact O-N 2.69Å; L377-T391 HydrophobicContact CD1-CG2 4.15Å; L377-G392 WeakPolarHBondContact CA-O 3.2Å; L377-T393 HydrophobicContact CD2-CG2 3.94Å
378	T	97.1	Very high	93.6	Very high	37 Å²	37	44.9 Å²	44.9	23%	0.227	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-27.9	-174.6	50.3	0	0	0	0	113.1	T331 G392 A394 P421 V422	T331-T378 WeakPolarHBondContact CB-O 3.06Å; T331-T378 VanDerWaalsContact O-O 3.11Å; T378-G392 PolarHBondContact N-O 3.41Å; T378-G392 PolarHBondContact OG1-O 2.89Å; T378-A394 HydrophobicContact CG2-CB 4.08Å; T378-P421 HydrophobicContact CG2-CB 4.35Å; T378-V422 WeakPolarHBondContact CB-O 3.11Å; T378-V422 PolarHBondContact OG1-O 2.99Å
379	C	97.4	Very high	93.8	Very high	12 Å²	12	41.9 Å²	41.9	8%	0.081	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	158.9	176.6	53.6	0	0	0	0	110	T391 G392 V425	C379-T391 CarbonylContact O-C 3.47Å; C379-T391 VanDerWaalsContact O-CA 3.29Å; C379-T391 WeakPolarHBondContact O-CA 3.46Å; C379-G392 PolarHBondContact O-N 3.04Å; C379-V425 VanDerWaalsContact SG-CG2 3.58Å
380	A	97.9	Very high	94.3	Very high	2 Å²	2	39.5 Å²	39.5	2%	0.017	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	141.6	174.9	0	0	0	0	0	110.9	L343 C345 G390 T391	L343-A380 HydrophobicContact CD2-CB 3.97Å; L343-A380 HydrophobicContact CG-CB 4.19Å; C345-A380 HydrophobicContact CB-CB 3.69Å; C345-A380 WeakPolarHBondContact SG-CB 3.45Å; A380-G390 CarbonylContact C-O 3.29Å; A380-G390 VanDerWaalsContact CA-O 3.26Å; A380-G390 WeakPolarHBondContact CA-O 3.34Å; A380-T391 HydrophobicContact CB-CG2 3.96Å
381	Q	98.1	Very high	94.9	Very high	60 Å²	60	29.8 Å²	29.8	28%	0.28	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	143.7	174.6	-76.8	-60.6	-31.9	0	0	110.7	L333 S334 L389 G390 V425 F427	L333-Q381 PolarHBondContact O-NE2 3.48Å; S334-Q381 VanDerWaalsContact CB-OE1 3.3Å; S334-Q381 PolarHBondContact OG-OE1 2.83Å; Q381-L389 WeakPolarHBondContact O-CA 3.34Å; Q381-L389 WeakPolarHBondContact O-CB 3.4Å; Q381-G390 PolarHBondContact N-O 2.87Å; Q381-G390 PolarHBondContact O-N 2.92Å; Q381-V425 WeakPolarHBondContact CG-O 3.41Å; Q381-F427 HydrophobicContact CB-CD2 4.12Å; Q381-F427 HydrophobicContact CB-CE2 4.26Å; Q381-F427 WeakPolarHBondContact O-CE2 3.29Å
382	F	97.8	Very high	95.4	Very high	14 Å²	14	25.7 Å²	25.7	6%	0.061	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	145.5	164.5	-84	-62.4	0	0	0	110.7	S334 H336 L343 F353 L389 V403 F427	S334-F382 PolarHBondContact OG-N 3.12Å; H336-F382 HydrophobicContact CB-CD2 4.12Å; H336-F382 HydrophobicContact CB-CE2 3.76Å; H336-F382 HydrophobicContact CB-CZ 4.23Å; L343-F382 HydrophobicContact CB-CD2 3.73Å; L343-F382 HydrophobicContact CB-CE1 4.37Å; L343-F382 HydrophobicContact CB-CE2 3.2Å; L343-F382 HydrophobicContact CB-CZ 3.55Å; L343-F382 HydrophobicContact CD2-CD1 4.4Å; L343-F382 HydrophobicContact CD2-CD2 4.22Å; L343-F382 HydrophobicContact CD2-CE1 4.44Å; L343-F382 HydrophobicContact CD2-CE2 4.32Å; L343-F382 HydrophobicContact CD2-CG 4.27Å; L343-F382 HydrophobicContact CD2-CZ 4.4Å; L343-F382 HydrophobicContact CG-CE2 4.38Å; L343-F382 HydrophobicContact CG-CZ 4.49Å; F353-F382 AromaticContact CD2-CZ 3.68Å; F353-F382 HydrophobicContact CD2-CZ 3.68Å; F353-F382 HydrophobicContact CE2-CE1 4.37Å; F353-F382 HydrophobicContact CE2-CE2 4.29Å; F353-F382 AromaticContact CE2-CZ 3.52Å; F353-F382 HydrophobicContact CE2-CZ 3.52Å; F382-L389 HydrophobicContact CD1-CB 3.93Å; F382-L389 HydrophobicContact CE1-CB 4.23Å; F382-L389 HydrophobicContact CE1-CD2 4.14Å; F382-V403 HydrophobicContact CD1-CG2 4.46Å; F382-V403 HydrophobicContact CE1-CG2 3.8Å; F382-F427 WeakPolarHBondContact O-CD2 3.04Å
383	H	96.4	Very high	95.8	Very high	7 Å²	7	23.3 Å²	23.3	3%	0.032	13%	0.133	C	C	.	.			trans	-71.6	152.5	161.7	175.2	-98.8	0	0	0	109.8	D385 G386 I388 F427 G431	H383-D385 VanDerWaalsContact CE1-CG 3.42Å; H383-D385 IonicContact CE1-OD1 3.98Å; H383-D385 IonicContact CE1-OD2 2.9Å; H383-D385 PolarHBondContact CE1-OD2 3.33Å; H383-D385 VanDerWaalsContact CE1-OD2 3.24Å; H383-D385 IonicContact CG-OD1 2.93Å; H383-D385 PolarHBondContact ND1-N 2.83Å; H383-D385 IonicContact ND1-OD1 3.64Å; H383-D385 PolarHBondContact ND1-OD1 3.01Å; H383-D385 IonicContact ND1-OD2 3.86Å; H383-D385 PolarHBondContact ND1-OD2 3.34Å; H383-D385 VanDerWaalsContact ND1-OD2 3.15Å; H383-D385 PolarHBondContact O-N 2.93Å; H383-G386 WeakPolarHBondContact O-CA 3.41Å; H383-G386 PolarHBondContact O-N 3.49Å; H383-I388 HydrophobicContact CB-CD1 4.01Å; H383-I388 HydrophobicContact CB-CG1 3.3Å; H383-I388 VanDerWaalsContact CB-O 3.31Å; H383-I388 WeakPolarHBondContact CB-O 3.41Å; H383-I388 PolarHBondContact N-O 3.13Å; H383-F427 HydrophobicContact CB-CD1 4.11Å; H383-F427 HydrophobicContact CB-CD2 4.37Å; H383-F427 HydrophobicContact CB-CE1 4.14Å; H383-F427 HydrophobicContact CB-CE2 4.44Å; H383-F427 HydrophobicContact CB-CG 4.2Å; H383-F427 HydrophobicContact CB-CZ 4.31Å; H383-F427 AromaticContact CD2-CD1 3.56Å; H383-G431 VanDerWaalsContact NE2-C 3.3Å; H383-G431 WeakPolarHBondContact NE2-CA 3.42Å; H383-G431 PolarHBondContact NE2-O 2.89Å; H383-G431 VanDerWaalsContact NE2-O 3.11Å
384	P	93.1	Very high	95.9	Very high	20 Å²	20	21.6 Å²	21.6	13%	0.13	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-14.6	-173.5	-26	36	0	0	0	115.6	L204 F427 E429	L204-P384 WeakPolarHBondContact CD1-O 3.39Å; P384-F427 HydrophobicContact CG-CB 4.23Å; P384-E429 WeakPolarHBondContact CB-OE2 3.22Å
385	D	91.3	Very high	95.7	Very high	25 Å²	25	20.9 Å²	20.9	13%	0.134	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-15.8	170	69.9	7.9	0	0	0	113.8	A201 H383 L387	A201-D385 HydrophobicContact CB-CB 4.21Å; A201-D385 VanDerWaalsContact CB-O 3.31Å; A201-D385 WeakPolarHBondContact CB-O 3.45Å; H383-D385 VanDerWaalsContact CE1-CG 3.42Å; H383-D385 IonicContact CE1-OD1 3.98Å; H383-D385 IonicContact CE1-OD2 2.9Å; H383-D385 PolarHBondContact CE1-OD2 3.33Å; H383-D385 VanDerWaalsContact CE1-OD2 3.24Å; H383-D385 IonicContact CG-OD1 2.93Å; H383-D385 PolarHBondContact ND1-N 2.83Å; H383-D385 IonicContact ND1-OD1 3.64Å; H383-D385 PolarHBondContact ND1-OD1 3.01Å; H383-D385 IonicContact ND1-OD2 3.86Å; H383-D385 PolarHBondContact ND1-OD2 3.34Å; H383-D385 VanDerWaalsContact ND1-OD2 3.15Å; H383-D385 PolarHBondContact O-N 2.93Å; D385-L387 VanDerWaalsContact C-N 3.3Å; D385-L387 PolarHBondContact O-N 2.85Å; D385-L387 PolarHBondContact OD1-N 3.32Å
386	G	93.2	Very high	95.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	79.5	-3.2	-179.5	0	0	0	0	0	116.7	H336 H383	H336-G386 VanDerWaalsContact CD2-CA 3.49Å; H336-G386 WeakPolarHBondContact CD2-CA 2.91Å; H336-G386 PolarHBondContact CD2-O 3.48Å; H336-G386 WeakPolarHBondContact NE2-CA 2.87Å; H336-G386 PolarHBondContact NE2-O 3.35Å; H336-G386 VanDerWaalsContact NE2-O 3.16Å; H383-G386 WeakPolarHBondContact O-CA 3.41Å; H383-G386 PolarHBondContact O-N 3.49Å
387	L	94.2	Very high	95.5	Very high	52 Å²	52	20.4 Å²	20.4	27%	0.272	11%	0.113	S	C	.	.	S	Bend	trans	-84.7	-28.4	-177.4	-63.2	-178.9	0	0	0	113.3	L197 Q198 A201 D385 V403	L197-L387 HydrophobicContact CB-CD2 4.27Å; Q198-L387 HydrophobicContact CG-CD2 4.29Å; A201-L387 HydrophobicContact CB-CD1 3.61Å; A201-L387 HydrophobicContact CB-CD2 3.88Å; A201-L387 HydrophobicContact CB-CG 3.56Å; D385-L387 VanDerWaalsContact C-N 3.3Å; D385-L387 PolarHBondContact O-N 2.85Å; D385-L387 PolarHBondContact OD1-N 3.32Å; L387-V403 WeakPolarHBondContact O-CB 3.31Å; L387-V403 VanDerWaalsContact O-CG2 3.29Å; L387-V403 WeakPolarHBondContact O-CG2 3.42Å; L387-V403 PolarHBondContact O-N 3.46Å
388	I	96.2	Very high	95.4	Very high	39 Å²	39	20.3 Å²	20.3	20%	0.2	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	157.9	176.3	68.8	176.3	0	0	0	110.7	H383 I400 W401 L448	H383-I388 HydrophobicContact CB-CD1 4.01Å; H383-I388 HydrophobicContact CB-CG1 3.3Å; H383-I388 VanDerWaalsContact CB-O 3.31Å; H383-I388 WeakPolarHBondContact CB-O 3.41Å; H383-I388 PolarHBondContact N-O 3.13Å; I388-I400 HydrophobicContact CB-CG2 4.28Å; I388-I400 HydrophobicContact CD1-CG2 4.06Å; I388-W401 WeakPolarHBondContact CA-O 3.25Å; I388-W401 VanDerWaalsContact CB-O 3.29Å; I388-W401 WeakPolarHBondContact CB-O 3.36Å; I388-L448 HydrophobicContact CD1-CD1 4.5Å
389	L	97.6	Very high	95.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	151.4	170.8	65.9	89.2	0	0	0	110	L343 W351 Q381 F382 T391 I400 W401 V403	L343-L389 HydrophobicContact CD1-CD1 4.43Å; L343-L389 HydrophobicContact CD1-CD2 3.7Å; L343-L389 HydrophobicContact CD2-CB 3.7Å; L343-L389 HydrophobicContact CD2-CD1 4.21Å; L343-L389 HydrophobicContact CD2-CD2 3.92Å; L343-L389 HydrophobicContact CD2-CG 4.15Å; L343-L389 HydrophobicContact CG-CD2 4.41Å; W351-L389 HydrophobicContact CD2-CD1 4.46Å; W351-L389 HydrophobicContact CD2-CD2 4.2Å; W351-L389 HydrophobicContact CE3-CD2 3.94Å; W351-L389 HydrophobicContact CG-CD1 4.48Å; W351-L389 HydrophobicContact CH2-CD2 4.36Å; W351-L389 HydrophobicContact CZ3-CD2 4.04Å; Q381-L389 WeakPolarHBondContact O-CA 3.34Å; Q381-L389 WeakPolarHBondContact O-CB 3.4Å; F382-L389 HydrophobicContact CD1-CB 3.93Å; F382-L389 HydrophobicContact CE1-CB 4.23Å; F382-L389 HydrophobicContact CE1-CD2 4.14Å; L389-T391 HydrophobicContact CD1-CG2 3.51Å; L389-I400 WeakPolarHBondContact O-CA 3.34Å; L389-W401 HydrophobicContact CD1-CB 3.9Å; L389-W401 VanDerWaalsContact CD1-CD1 3.43Å; L389-W401 HydrophobicContact CD1-CG 3.86Å; L389-W401 HydrophobicContact CG-CB 3.94Å; L389-W401 HydrophobicContact CG-CG 4.45Å; L389-W401 PolarHBondContact N-O 3.11Å; L389-W401 PolarHBondContact O-N 2.96Å; L389-V403 HydrophobicContact CD2-CG2 4.02Å
390	G	97.7	Very high	95.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	137	174	0	0	0	0	0	110.2	A380 Q381 K399	A380-G390 CarbonylContact C-O 3.29Å; A380-G390 VanDerWaalsContact CA-O 3.26Å; A380-G390 WeakPolarHBondContact CA-O 3.34Å; Q381-G390 PolarHBondContact N-O 2.87Å; Q381-G390 PolarHBondContact O-N 2.92Å; G390-K399 CarbonylContact C-O 3.53Å; G390-K399 WeakPolarHBondContact CA-O 3.5Å
391	T	98.4	Very high	95.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	138.5	173.3	63.3	0	0	0	0	110.6	W351 L377 C379 A380 L389 V398 K399 W401	W351-T391 HydrophobicContact CB-CG2 4.46Å; L377-T391 HydrophobicContact CD1-CG2 4.15Å; C379-T391 CarbonylContact O-C 3.47Å; C379-T391 VanDerWaalsContact O-CA 3.29Å; C379-T391 WeakPolarHBondContact O-CA 3.46Å; A380-T391 HydrophobicContact CB-CG2 3.96Å; L389-T391 HydrophobicContact CD1-CG2 3.51Å; T391-V398 WeakPolarHBondContact O-CA 3.4Å; T391-K399 PolarHBondContact N-O 2.74Å; T391-K399 PolarHBondContact O-N 3.46Å; T391-W401 PolarHBondContact OG1-NE1 2.74Å
392	G	96.9	Very high	95.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	148.9	167.3	0	0	0	0	0	111.5	L377 T378 C379	L377-G392 WeakPolarHBondContact CA-O 3.2Å; T378-G392 PolarHBondContact N-O 3.41Å; T378-G392 PolarHBondContact OG1-O 2.89Å; C379-G392 PolarHBondContact O-N 3.04Å
393	T	96.1	Very high	95.1	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	159.1	176.6	64	0	0	0	0	111.6	Q375 A376 L377 D395 G396 E397 K399 V422	Q375-T393 HydrophobicContact CB-CG2 4.16Å; A376-T393 CarbonylContact O-C 3.5Å; A376-T393 WeakPolarHBondContact O-CA 3.08Å; L377-T393 HydrophobicContact CD2-CG2 3.94Å; T393-D395 PolarHBondContact O-N 2.9Å; T393-G396 PolarHBondContact O-N 2.92Å; T393-G396 PolarHBondContact OG1-N 3.12Å; T393-E397 WeakPolarHBondContact CB-O 3.19Å; T393-E397 HydrophobicContact CG2-CB 4.39Å; T393-E397 WeakPolarHBondContact CG2-O 3.45Å; T393-E397 PolarHBondContact N-O 3.27Å; T393-E397 WeakPolarHBondContact OG1-CA 3.3Å; T393-E397 WeakPolarHBondContact OG1-CB 3.33Å; T393-E397 PolarHBondContact OG1-N 2.76Å; T393-E397 PolarHBondContact OG1-O 2.73Å; T393-K399 HydrophobicContact CG2-CD 4.26Å; T393-K399 HydrophobicContact CG2-CG 4.28Å; T393-V422 PolarHBondContact O-N 2.86Å
394	A	92.8	Very high	94.9	Very high	31 Å²	31	20.2 Å²	20.2	26%	0.256	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-24.5	173.4	0	0	0	0	0	113.2	A376 T378 G396 P421	A376-A394 HydrophobicContact CB-CB 4.15Å; A376-A394 PolarHBondContact O-N 3.27Å; T378-A394 HydrophobicContact CG2-CB 4.08Å; A394-G396 VanDerWaalsContact C-N 3.28Å; A394-G396 PolarHBondContact O-N 2.82Å; A394-P421 VanDerWaalsContact O-CA 3.29Å; A394-P421 WeakPolarHBondContact O-CA 3.26Å; A394-P421 WeakPolarHBondContact O-CB 3.44Å
395	D	90.3	Very high	94.9	Very high	89 Å²	89	23.7 Å²	23.7	48%	0.476	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-3.3	179.2	-59	-34	0	0	0	113.2	Q375 T393	Q375-D395 PolarHBondContact NE2-OD2 2.84Å; T393-D395 PolarHBondContact O-N 2.9Å
396	G	91.8	Very high	94.9	Very high	5 Å²	5	28.5 Å²	28.5	5%	0.052	14%	0.139	C	C	.	.	S	Bend	trans	89.2	13.3	179.6	0	0	0	0	0	115.4	T393 A394 H414 Q420	T393-G396 PolarHBondContact O-N 2.92Å; T393-G396 PolarHBondContact OG1-N 3.12Å; A394-G396 VanDerWaalsContact C-N 3.28Å; A394-G396 PolarHBondContact O-N 2.82Å; G396-H414 WeakPolarHBondContact O-CB 3.24Å; G396-H414 PolarHBondContact O-N 2.84Å; G396-Q420 WeakPolarHBondContact CA-O 3.32Å; G396-Q420 PolarHBondContact N-O 2.63Å
397	E	93.5	Very high	95	Very high	34 Å²	34	35.6 Å²	35.6	16%	0.159	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	138.9	171.7	-165.4	172.7	-134.3	0	0	111	Q375 T393 K399 N411	Q375-E397 PolarHBondContact OE1-OE2 2.86Å; T393-E397 WeakPolarHBondContact CB-O 3.19Å; T393-E397 HydrophobicContact CG2-CB 4.39Å; T393-E397 WeakPolarHBondContact CG2-O 3.45Å; T393-E397 PolarHBondContact N-O 3.27Å; T393-E397 WeakPolarHBondContact OG1-CA 3.3Å; T393-E397 WeakPolarHBondContact OG1-CB 3.33Å; T393-E397 PolarHBondContact OG1-N 2.76Å; T393-E397 PolarHBondContact OG1-O 2.73Å; E397-K399 HydrophobicContact CG-CG 4.36Å; E397-K399 VanDerWaalsContact OE2-CE 3.22Å; E397-K399 WeakPolarHBondContact OE2-CE 3.13Å; E397-K399 IonicContact OE2-NZ 2.67Å; E397-K399 PolarHBondContact OE2-NZ 3.2Å; E397-N411 HydrophobicContact CG-CB 4.18Å; E397-N411 VanDerWaalsContact OE1-CB 3.3Å; E397-N411 WeakPolarHBondContact OE1-CB 3.43Å
398	V	95.6	Very high	95	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	127.2	169	-177.6	0	0	0	0	107.5	T391 I400 N411 F412 H414 V422 L434 T436	T391-V398 WeakPolarHBondContact O-CA 3.4Å; V398-I400 HydrophobicContact CG1-CD1 4.39Å; V398-N411 WeakPolarHBondContact O-CA 3.19Å; V398-F412 HydrophobicContact CB-CD2 3.81Å; V398-F412 HydrophobicContact CB-CE1 4.49Å; V398-F412 HydrophobicContact CB-CE2 3.45Å; V398-F412 VanDerWaalsContact CB-CE2 3.45Å; V398-F412 HydrophobicContact CB-CG 4.48Å; V398-F412 HydrophobicContact CB-CZ 3.82Å; V398-F412 HydrophobicContact CG1-CD2 4.38Å; V398-F412 HydrophobicContact CG1-CE1 4.27Å; V398-F412 HydrophobicContact CG1-CE2 3.55Å; V398-F412 HydrophobicContact CG1-CZ 3.47Å; V398-F412 VanDerWaalsContact CG1-CZ 3.47Å; V398-F412 HydrophobicContact CG2-CD2 4.24Å; V398-F412 HydrophobicContact CG2-CE2 3.9Å; V398-F412 PolarHBondContact N-O 2.83Å; V398-F412 PolarHBondContact O-N 2.52Å; V398-H414 HydrophobicContact CG2-CB 4.37Å; V398-V422 HydrophobicContact CG2-CG1 4.3Å; V398-V422 HydrophobicContact CG2-CG2 3.94Å; V398-L434 HydrophobicContact CG1-CD2 4.05Å; V398-T436 HydrophobicContact CG1-CG2 4.13Å; V398-T436 HydrophobicContact CG2-CG2 3.81Å
399	K	96.2	Very high	94.9	Very high	1 Å²	1	37.1 Å²	37.1	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	133.6	-179.5	-56.9	-169.4	176.2	-82.5	0	110	A367 V368 G390 T391 T393 E397 W401 N411	A367-K399 HydrophobicContact CB-CD 4.17Å; V368-K399 PolarHBondContact O-NZ 3.42Å; G390-K399 CarbonylContact C-O 3.53Å; G390-K399 WeakPolarHBondContact CA-O 3.5Å; T391-K399 PolarHBondContact N-O 2.74Å; T391-K399 PolarHBondContact O-N 3.46Å; T393-K399 HydrophobicContact CG2-CD 4.26Å; T393-K399 HydrophobicContact CG2-CG 4.28Å; E397-K399 HydrophobicContact CG-CG 4.36Å; E397-K399 VanDerWaalsContact OE2-CE 3.22Å; E397-K399 WeakPolarHBondContact OE2-CE 3.13Å; E397-K399 IonicContact OE2-NZ 2.67Å; E397-K399 PolarHBondContact OE2-NZ 3.2Å; K399-W401 HydrophobicContact CB-CZ2 4.12Å; K399-W401 HydrophobicContact CD-CH2 4.48Å; K399-W401 HydrophobicContact CD-CZ2 3.63Å; K399-N411 WeakPolarHBondContact CB-OD1 3.42Å; K399-N411 WeakPolarHBondContact CG-OD1 3.36Å
400	I	97.3	Very high	94.7	Very high	8 Å²	8	37.8 Å²	37.8	4%	0.041	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	135.9	173.5	-50.4	-58.9	0	0	0	108.3	I388 L389 V398 N408 V409 A410 F412 F427 L434 L448	I388-I400 HydrophobicContact CB-CG2 4.28Å; I388-I400 HydrophobicContact CD1-CG2 4.06Å; L389-I400 WeakPolarHBondContact O-CA 3.34Å; V398-I400 HydrophobicContact CG1-CD1 4.39Å; I400-N408 PolarHBondContact O-ND2 3.16Å; I400-V409 HydrophobicContact CB-CG2 3.9Å; I400-V409 HydrophobicContact CG2-CG2 3.64Å; I400-V409 VanDerWaalsContact O-CG2 3.3Å; I400-V409 WeakPolarHBondContact O-CG2 3.38Å; I400-V409 PolarHBondContact O-N 3.37Å; I400-A410 HydrophobicContact CB-CB 4.21Å; I400-A410 HydrophobicContact CG1-CB 4.31Å; I400-A410 PolarHBondContact N-O 2.57Å; I400-A410 PolarHBondContact O-N 2.92Å; I400-F412 HydrophobicContact CD1-CE1 4.25Å; I400-F412 HydrophobicContact CD1-CZ 4.27Å; I400-F412 HydrophobicContact CG1-CE1 3.85Å; I400-F412 HydrophobicContact CG1-CZ 4.37Å; I400-F427 HydrophobicContact CD1-CZ 4.24Å; I400-L434 HydrophobicContact CD1-CD2 4.12Å; I400-L448 HydrophobicContact CD1-CD2 4.3Å; I400-L448 HydrophobicContact CG1-CD2 4.42Å
401	W	97.9	Very high	94.5	Very high	9 Å²	9	40.6 Å²	40.6	3%	0.034	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	142.3	-174.7	-53.1	81.8	0	0	0	110.6	W351 I365 A367 I388 L389 T391 K399 R407 N408	W351-W401 AromaticContact CD1-CE2 3.86Å; W351-W401 AromaticContact CE2-CD2 3.98Å; W351-W401 HydrophobicContact CZ2-CB 4.23Å; W351-W401 HydrophobicContact CZ2-CD2 4.3Å; W351-W401 HydrophobicContact CZ2-CE3 4.03Å; W351-W401 HydrophobicContact CZ2-CG 4.4Å; W351-W401 AromaticContact NE1-CD2 3.21Å; W351-W401 AromaticContact NE1-CE2 3.43Å; W351-W401 AromaticContact NE1-CE3 3.36Å; W351-W401 AromaticContact NE1-CG 3.69Å; W351-W401 AromaticContact NE1-CH2 3.97Å; W351-W401 AromaticContact NE1-CZ2 3.82Å; W351-W401 AromaticContact NE1-CZ3 3.75Å; W351-W401 AromaticContact NE1-NE1 3.93Å; I365-W401 HydrophobicContact CG2-CE3 4.22Å; I365-W401 HydrophobicContact CG2-CH2 4.34Å; I365-W401 HydrophobicContact CG2-CZ3 3.69Å; A367-W401 HydrophobicContact CB-CH2 4.24Å; A367-W401 HydrophobicContact CB-CZ2 3.8Å; I388-W401 WeakPolarHBondContact CA-O 3.25Å; I388-W401 VanDerWaalsContact CB-O 3.29Å; I388-W401 WeakPolarHBondContact CB-O 3.36Å; L389-W401 HydrophobicContact CD1-CB 3.9Å; L389-W401 VanDerWaalsContact CD1-CD1 3.43Å; L389-W401 HydrophobicContact CD1-CG 3.86Å; L389-W401 HydrophobicContact CG-CB 3.94Å; L389-W401 HydrophobicContact CG-CG 4.45Å; L389-W401 PolarHBondContact N-O 3.11Å; L389-W401 PolarHBondContact O-N 2.96Å; T391-W401 PolarHBondContact OG1-NE1 2.74Å; K399-W401 HydrophobicContact CB-CZ2 4.12Å; K399-W401 HydrophobicContact CD-CH2 4.48Å; K399-W401 HydrophobicContact CD-CZ2 3.63Å; W401-R407 WeakPolarHBondContact CA-O 3.29Å; W401-N408 HydrophobicContact CD2-CB 4.32Å; W401-N408 HydrophobicContact CE3-CB 3.8Å; W401-N408 HydrophobicContact CH2-CB 3.99Å; W401-N408 HydrophobicContact CZ3-CB 3.63Å
402	D	96.2	Very high	94.2	Very high	36 Å²	36	41.5 Å²	41.5	19%	0.193	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	121.1	167.1	-174.3	-43.6	0	0	0	108.5	K404 E405 R406 R407 V409	D402-K404 WeakPolarHBondContact OD1-CB 3.34Å; D402-K404 PolarHBondContact OD1-N 2.77Å; D402-E405 HydrophobicContact CB-CB 4.15Å; D402-E405 PolarHBondContact OD1-N 2.86Å; D402-R406 VanDerWaalsContact O-CA 3.23Å; D402-R406 WeakPolarHBondContact O-CA 3.29Å; D402-R406 PolarHBondContact O-N 3.39Å; D402-R407 HydrophobicContact CB-CG 4.27Å; D402-R407 PolarHBondContact N-O 3.01Å; D402-R407 PolarHBondContact O-N 2.96Å; D402-V409 HydrophobicContact CB-CG1 3.71Å
403	V	94.5	Very high	93.9	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-41.2	-176.8	177.9	0	0	0	0	111	L197 F353 F382 L387 L389 R406	L197-V403 HydrophobicContact CD1-CG1 3.9Å; F353-V403 HydrophobicContact CD1-CG1 4.36Å; F353-V403 HydrophobicContact CE1-CG1 4.21Å; F353-V403 HydrophobicContact CZ-CG1 4.32Å; F382-V403 HydrophobicContact CD1-CG2 4.46Å; F382-V403 HydrophobicContact CE1-CG2 3.8Å; L387-V403 WeakPolarHBondContact O-CB 3.31Å; L387-V403 VanDerWaalsContact O-CG2 3.29Å; L387-V403 WeakPolarHBondContact O-CG2 3.42Å; L387-V403 PolarHBondContact O-N 3.46Å; L389-V403 HydrophobicContact CD2-CG2 4.02Å; V403-R406 WeakPolarHBondContact O-CG 3.44Å
404	K	92.3	Very high	93.6	Very high	74 Å²	74	44.5 Å²	44.5	32%	0.322	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-50.6	-176.5	172.7	178.5	178.3	-90.1	0	110.7	I194 D402 R406	I194-K404 HydrophobicContact CD1-CG 4.19Å; I194-K404 HydrophobicContact CG1-CG 4.31Å; I194-K404 HydrophobicContact CG2-CD 3.59Å; I194-K404 HydrophobicContact CG2-CG 3.86Å; D402-K404 WeakPolarHBondContact OD1-CB 3.34Å; D402-K404 PolarHBondContact OD1-N 2.77Å; K404-R406 VanDerWaalsContact C-N 3.27Å; K404-R406 PolarHBondContact O-N 3.11Å
405	E	92.4	Very high	93	Very high	93 Å²	93	43.6 Å²	43.6	44%	0.435	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-11.3	-177.7	-58.9	-57.2	145.3	0	0	112.5	D402 R407	D402-E405 HydrophobicContact CB-CB 4.15Å; D402-E405 PolarHBondContact OD1-N 2.86Å; E405-R407 HydrophobicContact CB-CB 4.49Å; E405-R407 HydrophobicContact CB-CG 3.86Å; E405-R407 PolarHBondContact O-N 3.25Å; E405-R407 VanDerWaalsContact O-N 3.15Å
406	R	92.7	Very high	92	Very high	127 Å²	127	45.6 Å²	45.6	48%	0.479	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	32.2	-178.7	-58.2	168.2	-68.4	177.9	-3.9	112.5	I189 I365 D402 V403 K404	I189-R406 HydrophobicContact CD1-CG 4.34Å; I365-R406 HydrophobicContact CD1-CB 3.91Å; I365-R406 HydrophobicContact CD1-CG 4.49Å; I365-R406 HydrophobicContact CG1-CB 4.25Å; D402-R406 VanDerWaalsContact O-CA 3.23Å; D402-R406 WeakPolarHBondContact O-CA 3.29Å; D402-R406 PolarHBondContact O-N 3.39Å; V403-R406 WeakPolarHBondContact O-CG 3.44Å; K404-R406 VanDerWaalsContact C-N 3.27Å; K404-R406 PolarHBondContact O-N 3.11Å
407	R	93.6	Very high	90.6	Very high	149 Å²	149	47.9 Å²	47.9	56%	0.562	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.1	147.7	-175.9	75.3	-177.1	179.6	168.8	-0.4	110.9	W401 D402 E405 V409	W401-R407 WeakPolarHBondContact CA-O 3.29Å; D402-R407 HydrophobicContact CB-CG 4.27Å; D402-R407 PolarHBondContact N-O 3.01Å; D402-R407 PolarHBondContact O-N 2.96Å; E405-R407 HydrophobicContact CB-CB 4.49Å; E405-R407 HydrophobicContact CB-CG 3.86Å; E405-R407 PolarHBondContact O-N 3.25Å; E405-R407 VanDerWaalsContact O-N 3.15Å; R407-V409 HydrophobicContact CG-CG1 3.95Å; R407-V409 PolarHBondContact O-N 3.44Å
408	N	94.5	Very high	89.1	Confident	57 Å²	57	52.7 Å²	52.7	31%	0.305	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	121.2	167.5	179.8	-108.8	0	0	0	109.3	I400 W401 N411	I400-N408 PolarHBondContact O-ND2 3.16Å; W401-N408 HydrophobicContact CD2-CB 4.32Å; W401-N408 HydrophobicContact CE3-CB 3.8Å; W401-N408 HydrophobicContact CH2-CB 3.99Å; W401-N408 HydrophobicContact CZ3-CB 3.63Å; N408-N411 VanDerWaalsContact CG-OD1 3.25Å; N408-N411 PolarHBondContact ND2-OD1 2.95Å; N408-N411 PolarHBondContact OD1-ND2 3.4Å; N408-N411 PolarHBondContact OD1-OD1 3.17Å
409	V	94.3	Very high	88	Confident	66 Å²	66	59 Å²	59	40%	0.4	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	-28	-176.1	-66.7	0	0	0	0	113.3	I400 D402 R407	I400-V409 HydrophobicContact CB-CG2 3.9Å; I400-V409 HydrophobicContact CG2-CG2 3.64Å; I400-V409 VanDerWaalsContact O-CG2 3.3Å; I400-V409 WeakPolarHBondContact O-CG2 3.38Å; I400-V409 PolarHBondContact O-N 3.37Å; D402-V409 HydrophobicContact CB-CG1 3.71Å; R407-V409 HydrophobicContact CG-CG1 3.95Å; R407-V409 PolarHBondContact O-N 3.44Å
410	A	93.8	Very high	87.5	Confident	13 Å²	13	61.8 Å²	61.8	11%	0.107	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	146	178.4	0	0	0	0	0	110.9	I400 L451	I400-A410 HydrophobicContact CB-CB 4.21Å; I400-A410 HydrophobicContact CG1-CB 4.31Å; I400-A410 PolarHBondContact N-O 2.57Å; I400-A410 PolarHBondContact O-N 2.92Å; A410-L451 HydrophobicContact CB-CD1 3.79Å; A410-L451 HydrophobicContact CB-CD2 3.75Å; A410-L451 HydrophobicContact CB-CG 4.45Å
411	N	93.4	Very high	87.3	Confident	59 Å²	59	63.6 Å²	63.6	32%	0.316	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	139.6	172.6	-61.5	-36.1	0	0	0	109.9	E397 V398 K399 N408	E397-N411 HydrophobicContact CG-CB 4.18Å; E397-N411 VanDerWaalsContact OE1-CB 3.3Å; E397-N411 WeakPolarHBondContact OE1-CB 3.43Å; V398-N411 WeakPolarHBondContact O-CA 3.19Å; K399-N411 WeakPolarHBondContact CB-OD1 3.42Å; K399-N411 WeakPolarHBondContact CG-OD1 3.36Å; N408-N411 VanDerWaalsContact CG-OD1 3.25Å; N408-N411 PolarHBondContact ND2-OD1 2.95Å; N408-N411 PolarHBondContact OD1-ND2 3.4Å; N408-N411 PolarHBondContact OD1-OD1 3.17Å
412	F	92.2	Very high	87.2	Confident	19 Å²	19	63.2 Å²	63.2	8%	0.083	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	144.3	173.5	46.1	-87.4	0	0	0	110.5	V398 I400 L434 W446 L448 L451	V398-F412 HydrophobicContact CB-CD2 3.81Å; V398-F412 HydrophobicContact CB-CE1 4.49Å; V398-F412 HydrophobicContact CB-CE2 3.45Å; V398-F412 VanDerWaalsContact CB-CE2 3.45Å; V398-F412 HydrophobicContact CB-CG 4.48Å; V398-F412 HydrophobicContact CB-CZ 3.82Å; V398-F412 HydrophobicContact CG1-CD2 4.38Å; V398-F412 HydrophobicContact CG1-CE1 4.27Å; V398-F412 HydrophobicContact CG1-CE2 3.55Å; V398-F412 HydrophobicContact CG1-CZ 3.47Å; V398-F412 VanDerWaalsContact CG1-CZ 3.47Å; V398-F412 HydrophobicContact CG2-CD2 4.24Å; V398-F412 HydrophobicContact CG2-CE2 3.9Å; V398-F412 PolarHBondContact N-O 2.83Å; V398-F412 PolarHBondContact O-N 2.52Å; I400-F412 HydrophobicContact CD1-CE1 4.25Å; I400-F412 HydrophobicContact CD1-CZ 4.27Å; I400-F412 HydrophobicContact CG1-CE1 3.85Å; I400-F412 HydrophobicContact CG1-CZ 4.37Å; F412-L434 HydrophobicContact CE2-CD2 4.31Å; F412-L434 HydrophobicContact CZ-CD2 3.77Å; F412-W446 HydrophobicContact CB-CH2 4.48Å; F412-W446 HydrophobicContact CB-CZ3 4.07Å; F412-W446 AromaticContact CD2-CD2 3.63Å; F412-W446 HydrophobicContact CD2-CD2 3.63Å; F412-W446 AromaticContact CD2-CE2 3.75Å; F412-W446 AromaticContact CD2-CE3 3.48Å; F412-W446 HydrophobicContact CD2-CE3 3.48Å; F412-W446 VanDerWaalsContact CD2-CE3 3.48Å; F412-W446 HydrophobicContact CD2-CG 4.42Å; F412-W446 AromaticContact CD2-CH2 3.69Å; F412-W446 HydrophobicContact CD2-CH2 3.69Å; F412-W446 AromaticContact CD2-CZ2 3.81Å; F412-W446 HydrophobicContact CD2-CZ2 3.81Å; F412-W446 AromaticContact CD2-CZ3 3.5Å; F412-W446 HydrophobicContact CD2-CZ3 3.5Å; F412-W446 AromaticContact CE2-CD2 3.47Å; F412-W446 HydrophobicContact CE2-CD2 3.47Å; F412-W446 VanDerWaalsContact CE2-CD2 3.47Å; F412-W446 AromaticContact CE2-CE2 3.67Å; F412-W446 AromaticContact CE2-CE3 3.77Å; F412-W446 HydrophobicContact CE2-CE3 3.77Å; F412-W446 AromaticContact CE2-CG 3.8Å; F412-W446 HydrophobicContact CE2-CG 3.8Å; F412-W446 HydrophobicContact CE2-CH2 4.44Å; F412-W446 HydrophobicContact CE2-CZ2 4.18Å; F412-W446 HydrophobicContact CE2-CZ3 4.24Å; F412-W446 AromaticContact CE2-NE1 4Å; F412-W446 HydrophobicContact CG-CE3 4.09Å; F412-W446 HydrophobicContact CG-CH2 4.48Å; F412-W446 HydrophobicContact CG-CZ3 4.01Å; F412-W446 HydrophobicContact CZ-CD2 4.37Å; F412-W446 HydrophobicContact CZ-CG 4.38Å; F412-L448 HydrophobicContact CZ-CD2 4.46Å; F412-L451 HydrophobicContact CD1-CD2 4.41Å; F412-L451 HydrophobicContact CE1-CD2 4.32Å
413	A	91.4	Very high	87.2	Confident	63 Å²	63	63.7 Å²	63.7	52%	0.521	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	131.3	178.3	0	0	0	0	0	110.2	W446	A413-W446 WeakPolarHBondContact O-CH2 3.41Å
414	H	89.1	Confident	87.3	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.005	36%	0.36	C	S	.	.	S	Bend	trans	-65	-63.8	170.4	179.4	88.2	0	0	0	109.5	G396 V398 V422 T436 G438 D440 Q442 K444	G396-H414 WeakPolarHBondContact O-CB 3.24Å; G396-H414 PolarHBondContact O-N 2.84Å; V398-H414 HydrophobicContact CG2-CB 4.37Å; H414-V422 HydrophobicContact CB-CG2 4.07Å; H414-T436 PolarHBondContact CE1-O 3.34Å; H414-T436 PolarHBondContact ND1-OG1 3.07Å; H414-G438 PolarHBondContact CE1-N 2.82Å; H414-G438 PolarHBondContact NE2-N 3.32Å; H414-D440 IonicContact CD2-OD1 3.74Å; H414-D440 PolarHBondContact CD2-OD1 2.93Å; H414-D440 IonicContact CD2-OD2 3.5Å; H414-D440 IonicContact NE2-OD1 2.82Å; H414-D440 PolarHBondContact NE2-OD1 3.22Å; H414-D440 VanDerWaalsContact NE2-OD1 3.11Å; H414-D440 IonicContact NE2-OD2 3.98Å; H414-Q442 PolarHBondContact CE1-O 2.91Å; H414-Q442 PolarHBondContact NE2-O 2.8Å; H414-K444 WeakPolarHBondContact O-CD 3.5Å; H414-K444 WeakPolarHBondContact O-CE 3.43Å; H414-K444 PolarHBondContact O-NZ 3.3Å
415	G	80.3	Confident	87.5	Confident	12 Å²	12	60.7 Å²	60.7	12%	0.124	35%	0.347	C	S	.	.	S	Bend	trans	-98.6	168.8	-175	0	0	0	0	0	114.8
416	S	68.2	Low	87.7	Confident	130 Å²	130	56.7 Å²	56.7	91%	0.909	33%	0.329	S	S	*	.	S	Bend	trans	-96.4	84.5	167.4	-65.1	0	0	0	0	108.9
417	G	62.9	Low	88	Confident	53 Å²	53	51.5 Å²	51.5	55%	0.546	31%	0.31	S	S	.	.	S	Bend	trans	161.6	159.7	-180	0	0	0	0	0	112
418	T	62.1	Low	88	Confident	135 Å²	135	44.4 Å²	44.4	83%	0.828	28%	0.283	S	S	*	.	S	Bend	trans	-79.4	148.8	168.8	51	0	0	0	0	109.2
419	N	73.8	Confident	87.9	Confident	132 Å²	132	45 Å²	45	71%	0.706	28%	0.284	S	S	*	.	S	Bend	trans	73.3	37	171.3	-158.1	53.4	0	0	0	116.4	P421	N419-P421 WeakPolarHBondContact O-CD 3.41Å
420	Q	85.5	Confident	87.5	Confident	60 Å²	60	43.5 Å²	43.5	28%	0.28	27%	0.274	S	S	.	.			trans	-114.1	87.8	173.2	-67.1	-62.7	-10.7	0	0	110.7	G396 G439 D440	G396-Q420 WeakPolarHBondContact CA-O 3.32Å; G396-Q420 PolarHBondContact N-O 2.63Å; Q420-G439 VanDerWaalsContact OE1-CA 3.24Å; Q420-G439 PolarHBondContact OE1-O 2.88Å; Q420-D440 HydrophobicContact CG-CB 4.32Å
421	P	92.4	Very high	87.3	Confident	47 Å²	47	43.9 Å²	43.9	31%	0.305	28%	0.279	S	S	.	.			trans	-62.7	139.8	-175.1	26.7	-35.1	0	0	0	111.1	T378 A394 N419 T423 G438 G439	T378-P421 HydrophobicContact CG2-CB 4.35Å; A394-P421 VanDerWaalsContact O-CA 3.29Å; A394-P421 WeakPolarHBondContact O-CA 3.26Å; A394-P421 WeakPolarHBondContact O-CB 3.44Å; N419-P421 WeakPolarHBondContact O-CD 3.41Å; P421-T423 PolarHBondContact O-N 2.9Å; P421-G438 CarbonylContact O-C 3.56Å; P421-G438 VanDerWaalsContact O-CA 3.31Å; P421-G438 WeakPolarHBondContact O-CA 3.26Å; P421-G439 PolarHBondContact O-N 3.12Å
422	V	95.9	Very high	87.1	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	118.5	172.4	-177	0	0	0	0	107.9	T378 T393 V398 H414 V425 S437	T378-V422 WeakPolarHBondContact CB-O 3.11Å; T378-V422 PolarHBondContact OG1-O 2.99Å; T393-V422 PolarHBondContact O-N 2.86Å; V398-V422 HydrophobicContact CG2-CG1 4.3Å; V398-V422 HydrophobicContact CG2-CG2 3.94Å; H414-V422 HydrophobicContact CB-CG2 4.07Å; V422-V425 HydrophobicContact CG1-CG2 3.84Å; V422-S437 CarbonylContact C-O 3.56Å; V422-S437 WeakPolarHBondContact CA-O 3.19Å; V422-S437 WeakPolarHBondContact CG1-O 3.47Å
423	T	95.3	Very high	87.2	Confident	46 Å²	46	45.3 Å²	45.3	28%	0.282	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-42	-175.4	59.8	0	0	0	0	112.3	P421 S437 I468	P421-T423 PolarHBondContact O-N 2.9Å; T423-S437 PolarHBondContact N-O 3.37Å; T423-S437 WeakPolarHBondContact OG1-CB 3.16Å; T423-S437 PolarHBondContact OG1-O 3.35Å; T423-S437 PolarHBondContact OG1-OG 2.73Å; T423-I468 VanDerWaalsContact CB-O 3.23Å; T423-I468 WeakPolarHBondContact CB-O 3.47Å; T423-I468 PolarHBondContact OG1-O 2.99Å
424	A	96.5	Very high	87.5	Confident	5 Å²	5	42.3 Å²	42.3	4%	0.041	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	157.1	178.8	0	0	0	0	0	112	T436 S437 M471	A424-T436 WeakPolarHBondContact O-CA 3.36Å; A424-S437 WeakPolarHBondContact CB-OG 3.21Å; A424-S437 PolarHBondContact N-OG 2.79Å; A424-S437 VanDerWaalsContact N-OG 3.1Å; A424-S437 PolarHBondContact O-N 2.85Å; A424-M471 HydrophobicContact CB-CE 4.16Å
425	V	97.4	Very high	87.9	Confident	8 Å²	8	42.2 Å²	42.2	5%	0.048	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	129.8	178.1	175	0	0	0	0	106.9	C379 Q381 V422 F427 L434 A435 T436	C379-V425 VanDerWaalsContact SG-CG2 3.58Å; Q381-V425 WeakPolarHBondContact CG-O 3.41Å; V422-V425 HydrophobicContact CG1-CG2 3.84Å; V425-F427 HydrophobicContact CG1-CE2 4.27Å; V425-L434 HydrophobicContact CG1-CD1 3.27Å; V425-L434 HydrophobicContact CG1-CD2 4.22Å; V425-L434 HydrophobicContact CG1-CG 4.14Å; V425-A435 CarbonylContact C-O 3.54Å; V425-A435 WeakPolarHBondContact CA-O 3.33Å; V425-T436 HydrophobicContact CG1-CG2 4.34Å; V425-T436 HydrophobicContact CG2-CG2 3.97Å
426	A	97.6	Very high	88.7	Confident	8 Å²	8	41.7 Å²	41.7	7%	0.066	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	127.5	178	0	0	0	0	0	110.3	L434 A435 M471 F473	A426-L434 VanDerWaalsContact O-CD1 3.27Å; A426-L434 WeakPolarHBondContact O-CD1 3.4Å; A426-A435 PolarHBondContact N-O 3.03Å; A426-A435 PolarHBondContact O-N 3.26Å; A426-M471 HydrophobicContact CB-CB 4.19Å; A426-M471 WeakPolarHBondContact CB-O 3.02Å; A426-F473 HydrophobicContact CB-CD2 4.09Å; A426-F473 HydrophobicContact CB-CE2 4.37Å; A426-F473 WeakPolarHBondContact O-CE2 3.32Å
427	F	97.1	Very high	90	Very high	18 Å²	18	35.5 Å²	35.5	8%	0.079	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	142.3	174.5	-70.4	-85.9	0	0	0	110.6	Q381 F382 H383 P384 I400 V425 L434 L448 F473	Q381-F427 HydrophobicContact CB-CD2 4.12Å; Q381-F427 HydrophobicContact CB-CE2 4.26Å; Q381-F427 WeakPolarHBondContact O-CE2 3.29Å; F382-F427 WeakPolarHBondContact O-CD2 3.04Å; H383-F427 HydrophobicContact CB-CD1 4.11Å; H383-F427 HydrophobicContact CB-CD2 4.37Å; H383-F427 HydrophobicContact CB-CE1 4.14Å; H383-F427 HydrophobicContact CB-CE2 4.44Å; H383-F427 HydrophobicContact CB-CG 4.2Å; H383-F427 HydrophobicContact CB-CZ 4.31Å; H383-F427 AromaticContact CD2-CD1 3.56Å; P384-F427 HydrophobicContact CG-CB 4.23Å; I400-F427 HydrophobicContact CD1-CZ 4.24Å; V425-F427 HydrophobicContact CG1-CE2 4.27Å; F427-L434 HydrophobicContact CD1-CB 4.28Å; F427-L434 HydrophobicContact CD1-CD1 3.52Å; F427-L434 HydrophobicContact CD1-CG 4.45Å; F427-L434 HydrophobicContact CD2-CD1 3.89Å; F427-L434 HydrophobicContact CE1-CB 4.37Å; F427-L434 HydrophobicContact CE1-CD1 3.57Å; F427-L434 HydrophobicContact CE1-CD2 4.43Å; F427-L434 HydrophobicContact CE1-CG 4.33Å; F427-L434 HydrophobicContact CE2-CD1 3.88Å; F427-L434 HydrophobicContact CG-CD1 3.72Å; F427-L434 HydrophobicContact CZ-CD1 3.75Å; F427-L448 HydrophobicContact CD1-CD1 3.93Å; F427-L448 HydrophobicContact CE1-CD1 3.62Å; F427-F473 WeakPolarHBondContact O-CD2 3.15Å
428	S	95	Very high	91.3	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.181	C	C	.	.			trans	-84.2	143.6	172.7	-176.7	0	0	0	0	111	N430 G431 Y433	S428-N430 PolarHBondContact O-N 3.44Å; S428-N430 PolarHBondContact OG-N 3.11Å; S428-G431 PolarHBondContact O-N 3.45Å; S428-Y433 PolarHBondContact N-O 2.69Å
429	E	90.9	Very high	92.5	Very high	69 Å²	69	28.4 Å²	28.4	32%	0.322	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-10.2	173.7	-73.6	-60.1	150.7	0	0	114.4	R208 P384 G431	R208-E429 WeakPolarHBondContact CD-O 3.42Å; R208-E429 PolarHBondContact NE-O 2.8Å; P384-E429 WeakPolarHBondContact CB-OE2 3.22Å; E429-G431 PolarHBondContact O-N 2.82Å
430	N	87.7	Confident	93.1	Very high	36 Å²	36	23.9 Å²	23.9	19%	0.193	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-15.3	170.8	73.5	14.4	0	0	0	113.7	R208 S428 Y432 Y433	R208-N430 WeakPolarHBondContact CD-O 3.39Å; S428-N430 PolarHBondContact O-N 3.44Å; S428-N430 PolarHBondContact OG-N 3.11Å; N430-Y432 HydrophobicContact CB-CD1 4.32Å; N430-Y432 HydrophobicContact CB-CE1 3.79Å; N430-Y432 WeakPolarHBondContact O-CD1 3.43Å; N430-Y432 WeakPolarHBondContact O-CE1 3.46Å; N430-Y432 PolarHBondContact OD1-N 2.78Å; N430-Y433 WeakPolarHBondContact ND2-CD2 3.41Å; N430-Y433 WeakPolarHBondContact ND2-CE2 3.38Å; N430-Y433 PolarHBondContact OD1-N 3.06Å
431	G	87.8	Confident	93.3	Very high	20 Å²	20	22.4 Å²	22.4	21%	0.206	13%	0.132	C	C	.	.	S	Bend	trans	81.3	11.8	174.7	0	0	0	0	0	116.1	H383 S428 E429	H383-G431 VanDerWaalsContact NE2-C 3.3Å; H383-G431 WeakPolarHBondContact NE2-CA 3.42Å; H383-G431 PolarHBondContact NE2-O 2.89Å; H383-G431 VanDerWaalsContact NE2-O 3.11Å; S428-G431 PolarHBondContact O-N 3.45Å; E429-G431 PolarHBondContact O-N 2.82Å
432	Y	90.1	Very high	93.3	Very high	68 Å²	68	22.5 Å²	22.5	27%	0.267	13%	0.129	S	C	.	.	S	Bend	trans	-145.5	-9	177.3	57.1	-93	0	0	0	114.7	N430 L448	N430-Y432 HydrophobicContact CB-CD1 4.32Å; N430-Y432 HydrophobicContact CB-CE1 3.79Å; N430-Y432 WeakPolarHBondContact O-CD1 3.43Å; N430-Y432 WeakPolarHBondContact O-CE1 3.46Å; N430-Y432 PolarHBondContact OD1-N 2.78Å; Y432-L448 PolarHBondContact O-N 3.4Å
433	Y	94.6	Very high	93.3	Very high	40 Å²	40	22.5 Å²	22.5	16%	0.157	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	139.1	169.4	-68.9	-19.1	0	0	0	112.2	S428 N430 W446 D447 F454 W495	S428-Y433 PolarHBondContact N-O 2.69Å; N430-Y433 WeakPolarHBondContact ND2-CD2 3.41Å; N430-Y433 WeakPolarHBondContact ND2-CE2 3.38Å; N430-Y433 PolarHBondContact OD1-N 3.06Å; Y433-W446 WeakPolarHBondContact CA-O 3.1Å; Y433-D447 HydrophobicContact CE1-CB 4.45Å; Y433-F454 AromaticContact CD1-CE1 3.5Å; Y433-F454 HydrophobicContact CD1-CE1 3.5Å; Y433-F454 VanDerWaalsContact CD1-CE1 3.5Å; Y433-F454 AromaticContact CD1-CZ 3.73Å; Y433-F454 HydrophobicContact CD1-CZ 3.73Å; Y433-F454 HydrophobicContact CD2-CZ 4.21Å; Y433-F454 HydrophobicContact CE1-CD1 4.31Å; Y433-F454 AromaticContact CE1-CE1 3.47Å; Y433-F454 HydrophobicContact CE1-CE1 3.47Å; Y433-F454 VanDerWaalsContact CE1-CE1 3.47Å; Y433-F454 HydrophobicContact CE1-CE2 4.45Å; Y433-F454 AromaticContact CE1-CZ 3.56Å; Y433-F454 HydrophobicContact CE1-CZ 3.56Å; Y433-F454 HydrophobicContact CE2-CZ 4.11Å; Y433-F454 HydrophobicContact CG-CE1 4.19Å; Y433-F454 HydrophobicContact CG-CZ 4.06Å; Y433-F454 AromaticContact CZ-CZ 3.79Å; Y433-W495 HydrophobicContact CD2-CH2 4.24Å; Y433-W495 HydrophobicContact CD2-CZ2 4.1Å; Y433-W495 AromaticContact CE2-CZ2 3.99Å; Y433-W495 HydrophobicContact CE2-CZ2 3.99Å
434	L	97.1	Very high	93.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	131.4	169.3	179.3	68.9	0	0	0	108.5	V398 I400 F412 V425 A426 F427 T436 L445 W446 L448	V398-L434 HydrophobicContact CG1-CD2 4.05Å; I400-L434 HydrophobicContact CD1-CD2 4.12Å; F412-L434 HydrophobicContact CE2-CD2 4.31Å; F412-L434 HydrophobicContact CZ-CD2 3.77Å; V425-L434 HydrophobicContact CG1-CD1 3.27Å; V425-L434 HydrophobicContact CG1-CD2 4.22Å; V425-L434 HydrophobicContact CG1-CG 4.14Å; A426-L434 VanDerWaalsContact O-CD1 3.27Å; A426-L434 WeakPolarHBondContact O-CD1 3.4Å; F427-L434 HydrophobicContact CD1-CB 4.28Å; F427-L434 HydrophobicContact CD1-CD1 3.52Å; F427-L434 HydrophobicContact CD1-CG 4.45Å; F427-L434 HydrophobicContact CD2-CD1 3.89Å; F427-L434 HydrophobicContact CE1-CB 4.37Å; F427-L434 HydrophobicContact CE1-CD1 3.57Å; F427-L434 HydrophobicContact CE1-CD2 4.43Å; F427-L434 HydrophobicContact CE1-CG 4.33Å; F427-L434 HydrophobicContact CE2-CD1 3.88Å; F427-L434 HydrophobicContact CG-CD1 3.72Å; F427-L434 HydrophobicContact CZ-CD1 3.75Å; L434-T436 HydrophobicContact CD2-CG2 3.7Å; L434-T436 HydrophobicContact CG-CG2 3.83Å; L434-L445 WeakPolarHBondContact O-CA 3.41Å; L434-W446 HydrophobicContact CB-CB 4.33Å; L434-W446 PolarHBondContact N-O 2.95Å; L434-W446 VanDerWaalsContact N-O 3.08Å; L434-W446 PolarHBondContact O-N 3.46Å; L434-L448 HydrophobicContact CB-CD1 4.34Å; L434-L448 HydrophobicContact CB-CD2 4.06Å; L434-L448 HydrophobicContact CB-CG 4.24Å; L434-L448 HydrophobicContact CD2-CD2 4.19Å
435	A	97.8	Very high	93.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	135.5	164.8	0	0	0	0	0	108.9	V425 A426 V443 K444 L445 M471 F473 L480	V425-A435 CarbonylContact C-O 3.54Å; V425-A435 WeakPolarHBondContact CA-O 3.33Å; A426-A435 PolarHBondContact N-O 3.03Å; A426-A435 PolarHBondContact O-N 3.26Å; A435-V443 HydrophobicContact CB-CG1 4.38Å; A435-K444 CarbonylContact C-O 3.42Å; A435-K444 WeakPolarHBondContact CA-O 3.48Å; A435-L445 HydrophobicContact CB-CD2 3.68Å; A435-M471 HydrophobicContact CB-CE 4.07Å; A435-M471 HydrophobicContact CB-SD 4.35Å; A435-F473 HydrophobicContact CB-CE2 3.54Å; A435-F473 HydrophobicContact CB-CZ 3.8Å; A435-L480 HydrophobicContact CB-CD1 4.2Å; A435-L480 HydrophobicContact CB-CD2 4.2Å
436	T	97.5	Very high	93.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	146.3	170.7	65.4	0	0	0	0	109.6	V398 H414 A424 V425 L434 V443 K444 W446 M471	V398-T436 HydrophobicContact CG1-CG2 4.13Å; V398-T436 HydrophobicContact CG2-CG2 3.81Å; H414-T436 PolarHBondContact CE1-O 3.34Å; H414-T436 PolarHBondContact ND1-OG1 3.07Å; A424-T436 WeakPolarHBondContact O-CA 3.36Å; V425-T436 HydrophobicContact CG1-CG2 4.34Å; V425-T436 HydrophobicContact CG2-CG2 3.97Å; L434-T436 HydrophobicContact CD2-CG2 3.7Å; L434-T436 HydrophobicContact CG-CG2 3.83Å; T436-V443 CarbonylContact O-C 3.58Å; T436-V443 WeakPolarHBondContact O-CA 3.48Å; T436-K444 PolarHBondContact N-O 2.98Å; T436-K444 PolarHBondContact O-N 3.39Å; T436-W446 PolarHBondContact OG1-NE1 2.62Å; T436-M471 VanDerWaalsContact C-CE 3.45Å
437	S	95.3	Very high	93.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	151.6	174.8	58.1	0	0	0	0	110.3	V422 T423 A424 Q442 I468	V422-S437 CarbonylContact C-O 3.56Å; V422-S437 WeakPolarHBondContact CA-O 3.19Å; V422-S437 WeakPolarHBondContact CG1-O 3.47Å; T423-S437 PolarHBondContact N-O 3.37Å; T423-S437 WeakPolarHBondContact OG1-CB 3.16Å; T423-S437 PolarHBondContact OG1-O 3.35Å; T423-S437 PolarHBondContact OG1-OG 2.73Å; A424-S437 WeakPolarHBondContact CB-OG 3.21Å; A424-S437 PolarHBondContact N-OG 2.79Å; A424-S437 VanDerWaalsContact N-OG 3.1Å; A424-S437 PolarHBondContact O-N 2.85Å; S437-Q442 VanDerWaalsContact CA-O 3.29Å; S437-Q442 WeakPolarHBondContact CA-O 3.42Å; S437-I468 VanDerWaalsContact CB-CG2 3.5Å
438	G	90.8	Very high	92.9	Very high	2 Å²	2	22.4 Å²	22.4	2%	0.021	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	175.1	-178.2	0	0	0	0	0	113.2	H414 P421 D440 S441 Q442	H414-G438 PolarHBondContact CE1-N 2.82Å; H414-G438 PolarHBondContact NE2-N 3.32Å; P421-G438 CarbonylContact O-C 3.56Å; P421-G438 VanDerWaalsContact O-CA 3.31Å; P421-G438 WeakPolarHBondContact O-CA 3.26Å; G438-D440 PolarHBondContact O-N 3.14Å; G438-S441 PolarHBondContact O-N 3.13Å; G438-Q442 PolarHBondContact N-O 3.39Å
439	G	86.8	Confident	92.7	Very high	38 Å²	38	30.1 Å²	30.1	39%	0.392	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-9.4	171.8	0	0	0	0	0	114.5	Q420 P421 S441	Q420-G439 VanDerWaalsContact OE1-CA 3.24Å; Q420-G439 PolarHBondContact OE1-O 2.88Å; P421-G439 PolarHBondContact O-N 3.12Å; G439-S441 PolarHBondContact O-N 3.22Å
440	D	86.4	Confident	92.7	Very high	36 Å²	36	34.4 Å²	34.4	19%	0.193	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	8.9	174.8	64.1	-7.5	0	0	0	112.5	H414 Q420 G438 Q442	H414-D440 IonicContact CD2-OD1 3.74Å; H414-D440 PolarHBondContact CD2-OD1 2.93Å; H414-D440 IonicContact CD2-OD2 3.5Å; H414-D440 IonicContact NE2-OD1 2.82Å; H414-D440 PolarHBondContact NE2-OD1 3.22Å; H414-D440 VanDerWaalsContact NE2-OD1 3.11Å; H414-D440 IonicContact NE2-OD2 3.98Å; Q420-D440 HydrophobicContact CG-CB 4.32Å; G438-D440 PolarHBondContact O-N 3.14Å; D440-Q442 WeakPolarHBondContact O-CG 3.37Å; D440-Q442 PolarHBondContact O-N 3.06Å; D440-Q442 PolarHBondContact OD1-N 3.22Å
441	S	89.6	Confident	92.7	Very high	30 Å²	30	36.7 Å²	36.7	21%	0.21	18%	0.181	C	C	.	.	S	Bend	trans	63.7	17.8	179.1	-47.2	0	0	0	0	113.7	G438 G439 Y466	G438-S441 PolarHBondContact O-N 3.13Å; G439-S441 PolarHBondContact O-N 3.22Å; S441-Y466 WeakPolarHBondContact CB-O 3.5Å; S441-Y466 PolarHBondContact OG-O 3.18Å
442	Q	92.3	Very high	92.9	Very high	49 Å²	49	42.5 Å²	42.5	23%	0.229	20%	0.201	C	C	.	.			trans	-101.1	147.7	-179.7	-59.4	-173	2.7	0	0	111.5	H414 S437 G438 D440 T456 I458	H414-Q442 PolarHBondContact CE1-O 2.91Å; H414-Q442 PolarHBondContact NE2-O 2.8Å; S437-Q442 VanDerWaalsContact CA-O 3.29Å; S437-Q442 WeakPolarHBondContact CA-O 3.42Å; G438-Q442 PolarHBondContact N-O 3.39Å; D440-Q442 WeakPolarHBondContact O-CG 3.37Å; D440-Q442 PolarHBondContact O-N 3.06Å; D440-Q442 PolarHBondContact OD1-N 3.22Å; Q442-T456 HydrophobicContact CB-CG2 4.07Å; Q442-T456 HydrophobicContact CG-CG2 4.26Å; Q442-I458 HydrophobicContact CG-CG1 4.43Å
443	V	95.3	Very high	93.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	117	163.2	179	0	0	0	0	108.1	A435 T436 T456 L457 P459 I468 M471 L480 V482	A435-V443 HydrophobicContact CB-CG1 4.38Å; T436-V443 CarbonylContact O-C 3.58Å; T436-V443 WeakPolarHBondContact O-CA 3.48Å; V443-T456 WeakPolarHBondContact O-CA 3.37Å; V443-L457 HydrophobicContact CB-CB 4.2Å; V443-L457 PolarHBondContact N-O 2.81Å; V443-L457 PolarHBondContact O-N 3.25Å; V443-P459 HydrophobicContact CG2-CG 3.97Å; V443-I468 HydrophobicContact CG2-CD1 3.6Å; V443-M471 HydrophobicContact CB-SD 4.27Å; V443-M471 HydrophobicContact CG1-CE 4.5Å; V443-M471 HydrophobicContact CG1-SD 3.56Å; V443-M471 VanDerWaalsContact CG1-SD 3.56Å; V443-M471 HydrophobicContact CG2-SD 3.72Å; V443-L480 HydrophobicContact CG1-CD2 4.24Å; V443-V482 HydrophobicContact CG2-CG1 4.15Å; V443-V482 HydrophobicContact CG2-CG2 4.21Å
444	K	95.5	Very high	93	Very high	21 Å²	21	43 Å²	43	9%	0.091	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	133.5	179.4	-68.3	-168.6	-175	-165.6	0	110.8	H414 A435 T436 W446 T456	H414-K444 WeakPolarHBondContact O-CD 3.5Å; H414-K444 WeakPolarHBondContact O-CE 3.43Å; H414-K444 PolarHBondContact O-NZ 3.3Å; A435-K444 CarbonylContact C-O 3.42Å; A435-K444 WeakPolarHBondContact CA-O 3.48Å; T436-K444 PolarHBondContact N-O 2.98Å; T436-K444 PolarHBondContact O-N 3.39Å; K444-W446 HydrophobicContact CB-CZ2 3.83Å; K444-W446 HydrophobicContact CD-CH2 4.5Å; K444-W446 HydrophobicContact CD-CZ2 3.83Å; K444-W446 HydrophobicContact CG-CZ2 4.48Å; K444-W446 VanDerWaalsContact O-CD1 3.25Å; K444-W446 PolarHBondContact O-NE1 3.44Å; K444-T456 HydrophobicContact CG-CG2 4.17Å
445	L	96.9	Very high	92.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	126.2	-179.3	-59.5	165.6	0	0	0	109.5	L434 A435 N453 F454 K455 L457 F473 L480 W495	L434-L445 WeakPolarHBondContact O-CA 3.41Å; A435-L445 HydrophobicContact CB-CD2 3.68Å; L445-N453 PolarHBondContact N-ND2 3.15Å; L445-N453 CarbonylContact O-C 3.57Å; L445-N453 VanDerWaalsContact O-CA 3.31Å; L445-N453 WeakPolarHBondContact O-CA 3.41Å; L445-N453 PolarHBondContact O-ND2 3.47Å; L445-F454 HydrophobicContact CB-CE1 3.9Å; L445-F454 HydrophobicContact CB-CE2 3.89Å; L445-F454 HydrophobicContact CB-CZ 3.53Å; L445-F454 HydrophobicContact CD1-CE2 4.46Å; L445-F454 WeakPolarHBondContact O-CD1 3.33Å; L445-F454 PolarHBondContact O-N 2.86Å; L445-K455 HydrophobicContact CB-CB 4.24Å; L445-K455 HydrophobicContact CD1-CB 3.89Å; L445-K455 HydrophobicContact CD1-CG 3.92Å; L445-K455 PolarHBondContact N-O 2.85Å; L445-L457 HydrophobicContact CD1-CD1 4.13Å; L445-L457 HydrophobicContact CD1-CG 4.26Å; L445-F473 HydrophobicContact CD2-CZ 4.11Å; L445-L480 HydrophobicContact CD2-CD2 3.98Å; L445-W495 HydrophobicContact CD1-CD2 3.34Å; L445-W495 HydrophobicContact CD1-CE3 3.23Å; L445-W495 HydrophobicContact CD1-CG 4.06Å; L445-W495 HydrophobicContact CD1-CH2 3.64Å; L445-W495 HydrophobicContact CD1-CZ2 3.78Å; L445-W495 HydrophobicContact CD1-CZ3 3.38Å; L445-W495 HydrophobicContact CD2-CE3 4.48Å; L445-W495 HydrophobicContact CD2-CH2 3.92Å; L445-W495 HydrophobicContact CD2-CZ3 3.83Å; L445-W495 HydrophobicContact CG-CE3 4.48Å; L445-W495 HydrophobicContact CG-CH2 4.32Å; L445-W495 HydrophobicContact CG-CZ3 4.24Å
446	W	96.4	Very high	92.8	Very high	17 Å²	17	49 Å²	49	6%	0.064	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	137.2	-170.4	-52	83.3	0	0	0	110.4	F412 A413 Y433 L434 T436 K444 K452 N453 F454	F412-W446 HydrophobicContact CB-CH2 4.48Å; F412-W446 HydrophobicContact CB-CZ3 4.07Å; F412-W446 AromaticContact CD2-CD2 3.63Å; F412-W446 HydrophobicContact CD2-CD2 3.63Å; F412-W446 AromaticContact CD2-CE2 3.75Å; F412-W446 AromaticContact CD2-CE3 3.48Å; F412-W446 HydrophobicContact CD2-CE3 3.48Å; F412-W446 VanDerWaalsContact CD2-CE3 3.48Å; F412-W446 HydrophobicContact CD2-CG 4.42Å; F412-W446 AromaticContact CD2-CH2 3.69Å; F412-W446 HydrophobicContact CD2-CH2 3.69Å; F412-W446 AromaticContact CD2-CZ2 3.81Å; F412-W446 HydrophobicContact CD2-CZ2 3.81Å; F412-W446 AromaticContact CD2-CZ3 3.5Å; F412-W446 HydrophobicContact CD2-CZ3 3.5Å; F412-W446 AromaticContact CE2-CD2 3.47Å; F412-W446 HydrophobicContact CE2-CD2 3.47Å; F412-W446 VanDerWaalsContact CE2-CD2 3.47Å; F412-W446 AromaticContact CE2-CE2 3.67Å; F412-W446 AromaticContact CE2-CE3 3.77Å; F412-W446 HydrophobicContact CE2-CE3 3.77Å; F412-W446 AromaticContact CE2-CG 3.8Å; F412-W446 HydrophobicContact CE2-CG 3.8Å; F412-W446 HydrophobicContact CE2-CH2 4.44Å; F412-W446 HydrophobicContact CE2-CZ2 4.18Å; F412-W446 HydrophobicContact CE2-CZ3 4.24Å; F412-W446 AromaticContact CE2-NE1 4Å; F412-W446 HydrophobicContact CG-CE3 4.09Å; F412-W446 HydrophobicContact CG-CH2 4.48Å; F412-W446 HydrophobicContact CG-CZ3 4.01Å; F412-W446 HydrophobicContact CZ-CD2 4.37Å; F412-W446 HydrophobicContact CZ-CG 4.38Å; A413-W446 WeakPolarHBondContact O-CH2 3.41Å; Y433-W446 WeakPolarHBondContact CA-O 3.1Å; L434-W446 HydrophobicContact CB-CB 4.33Å; L434-W446 PolarHBondContact N-O 2.95Å; L434-W446 VanDerWaalsContact N-O 3.08Å; L434-W446 PolarHBondContact O-N 3.46Å; T436-W446 PolarHBondContact OG1-NE1 2.62Å; K444-W446 HydrophobicContact CB-CZ2 3.83Å; K444-W446 HydrophobicContact CD-CH2 4.5Å; K444-W446 HydrophobicContact CD-CZ2 3.83Å; K444-W446 HydrophobicContact CG-CZ2 4.48Å; K444-W446 VanDerWaalsContact O-CD1 3.25Å; K444-W446 PolarHBondContact O-NE1 3.44Å; W446-K452 WeakPolarHBondContact CA-O 3.49Å; W446-N453 HydrophobicContact CD2-CB 4.06Å; W446-N453 HydrophobicContact CE3-CB 3.7Å; W446-N453 HydrophobicContact CH2-CB 3.79Å; W446-N453 HydrophobicContact CZ2-CB 4.15Å; W446-N453 HydrophobicContact CZ3-CB 3.57Å; W446-F454 VanDerWaalsContact C-CE1 3.46Å
447	D	94.7	Very high	92.7	Very high	15 Å²	15	49.5 Å²	49.5	8%	0.08	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	108	166.5	-173	-25.2	0	0	0	108.1	Y433 R449 K450 L451 K452 F454	Y433-D447 HydrophobicContact CE1-CB 4.45Å; D447-R449 PolarHBondContact O-N 3.41Å; D447-R449 WeakPolarHBondContact OD1-CB 3.4Å; D447-R449 IonicContact OD1-CZ 3.8Å; D447-R449 PolarHBondContact OD1-N 3.38Å; D447-R449 VanDerWaalsContact OD1-N 3.08Å; D447-R449 IonicContact OD1-NE 3.69Å; D447-R449 PolarHBondContact OD1-NE 3.14Å; D447-R449 IonicContact OD1-NH2 3.34Å; D447-R449 IonicContact OD2-CZ 3.21Å; D447-R449 IonicContact OD2-NE 3.11Å; D447-R449 IonicContact OD2-NH2 2.74Å; D447-R449 PolarHBondContact OD2-NH2 3.39Å; D447-K450 CarbonylContact O-C 3.45Å; D447-K450 PolarHBondContact O-N 2.95Å; D447-L451 WeakPolarHBondContact O-CA 3.2Å; D447-L451 PolarHBondContact O-N 3.21Å; D447-K452 PolarHBondContact N-O 3.22Å; D447-K452 PolarHBondContact O-N 3.31Å; D447-F454 HydrophobicContact CB-CD1 4.03Å; D447-F454 HydrophobicContact CB-CE1 4.37Å
448	L	91.8	Very high	92.5	Very high	29 Å²	29	53.2 Å²	53.2	15%	0.152	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-20.4	-174.5	-64	174.4	0	0	0	113.1	I388 I400 F412 F427 Y432 L434 K450	I388-L448 HydrophobicContact CD1-CD1 4.5Å; I400-L448 HydrophobicContact CD1-CD2 4.3Å; I400-L448 HydrophobicContact CG1-CD2 4.42Å; F412-L448 HydrophobicContact CZ-CD2 4.46Å; F427-L448 HydrophobicContact CD1-CD1 3.93Å; F427-L448 HydrophobicContact CE1-CD1 3.62Å; Y432-L448 PolarHBondContact O-N 3.4Å; L434-L448 HydrophobicContact CB-CD1 4.34Å; L434-L448 HydrophobicContact CB-CD2 4.06Å; L434-L448 HydrophobicContact CB-CG 4.24Å; L434-L448 HydrophobicContact CD2-CD2 4.19Å; L448-K450 VanDerWaalsContact C-N 3.29Å; L448-K450 PolarHBondContact O-N 2.96Å
449	R	90.7	Very high	92.2	Very high	162 Å²	162	53.2 Å²	53.2	61%	0.611	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-26.2	176.9	-56.6	169.4	-63.2	-175.7	2	112.1	D447	D447-R449 PolarHBondContact O-N 3.41Å; D447-R449 WeakPolarHBondContact OD1-CB 3.4Å; D447-R449 IonicContact OD1-CZ 3.8Å; D447-R449 PolarHBondContact OD1-N 3.38Å; D447-R449 VanDerWaalsContact OD1-N 3.08Å; D447-R449 IonicContact OD1-NE 3.69Å; D447-R449 PolarHBondContact OD1-NE 3.14Å; D447-R449 IonicContact OD1-NH2 3.34Å; D447-R449 IonicContact OD2-CZ 3.21Å; D447-R449 IonicContact OD2-NE 3.11Å; D447-R449 IonicContact OD2-NH2 2.74Å; D447-R449 PolarHBondContact OD2-NH2 3.39Å
450	K	90.9	Very high	91.8	Very high	159 Å²	159	51.6 Å²	51.6	69%	0.691	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.6	-6.3	-177.9	-61.1	-177.5	-178	178.3	0	112.8	D447 L448 K452	D447-K450 CarbonylContact O-C 3.45Å; D447-K450 PolarHBondContact O-N 2.95Å; L448-K450 VanDerWaalsContact C-N 3.29Å; L448-K450 PolarHBondContact O-N 2.96Å; K450-K452 HydrophobicContact CB-CB 4.29Å; K450-K452 PolarHBondContact O-N 3.32Å; K450-K452 VanDerWaalsContact O-N 3.16Å
451	L	89.1	Confident	91.2	Very high	85 Å²	85	57.2 Å²	57.2	45%	0.445	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.5	39.5	-173.1	-60.2	174.5	0	0	0	112.5	A410 F412 D447	A410-L451 HydrophobicContact CB-CD1 3.79Å; A410-L451 HydrophobicContact CB-CD2 3.75Å; A410-L451 HydrophobicContact CB-CG 4.45Å; F412-L451 HydrophobicContact CD1-CD2 4.41Å; F412-L451 HydrophobicContact CE1-CD2 4.32Å; D447-L451 WeakPolarHBondContact O-CA 3.2Å; D447-L451 PolarHBondContact O-N 3.21Å
452	K	91.7	Very high	90.3	Very high	141 Å²	141	63.6 Å²	63.6	61%	0.613	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.1	131.3	-175.5	-175.5	175.5	178.6	-179.6	0	110.4	W446 D447 K450 F454	W446-K452 WeakPolarHBondContact CA-O 3.49Å; D447-K452 PolarHBondContact N-O 3.22Å; D447-K452 PolarHBondContact O-N 3.31Å; K450-K452 HydrophobicContact CB-CB 4.29Å; K450-K452 PolarHBondContact O-N 3.32Å; K450-K452 VanDerWaalsContact O-N 3.16Å; K452-F454 PolarHBondContact O-N 3.01Å
453	N	93	Very high	89.6	Confident	44 Å²	44	65 Å²	65	24%	0.235	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	115.9	164.1	173.4	-127	0	0	0	109.1	L445 W446 K455 T456	L445-N453 PolarHBondContact N-ND2 3.15Å; L445-N453 CarbonylContact O-C 3.57Å; L445-N453 VanDerWaalsContact O-CA 3.31Å; L445-N453 WeakPolarHBondContact O-CA 3.41Å; L445-N453 PolarHBondContact O-ND2 3.47Å; W446-N453 HydrophobicContact CD2-CB 4.06Å; W446-N453 HydrophobicContact CE3-CB 3.7Å; W446-N453 HydrophobicContact CH2-CB 3.79Å; W446-N453 HydrophobicContact CZ2-CB 4.15Å; W446-N453 HydrophobicContact CZ3-CB 3.57Å; N453-K455 PolarHBondContact ND2-O 3.36Å; N453-T456 PolarHBondContact OD1-OG1 2.96Å; N453-T456 VanDerWaalsContact OD1-OG1 3.1Å
454	F	94	Very high	88.2	Confident	75 Å²	75	71.6 Å²	71.6	33%	0.329	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-16.5	-177.1	66.1	-96.6	0	0	0	112.9	Y433 L445 W446 D447 K452 W495	Y433-F454 AromaticContact CD1-CE1 3.5Å; Y433-F454 HydrophobicContact CD1-CE1 3.5Å; Y433-F454 VanDerWaalsContact CD1-CE1 3.5Å; Y433-F454 AromaticContact CD1-CZ 3.73Å; Y433-F454 HydrophobicContact CD1-CZ 3.73Å; Y433-F454 HydrophobicContact CD2-CZ 4.21Å; Y433-F454 HydrophobicContact CE1-CD1 4.31Å; Y433-F454 AromaticContact CE1-CE1 3.47Å; Y433-F454 HydrophobicContact CE1-CE1 3.47Å; Y433-F454 VanDerWaalsContact CE1-CE1 3.47Å; Y433-F454 HydrophobicContact CE1-CE2 4.45Å; Y433-F454 AromaticContact CE1-CZ 3.56Å; Y433-F454 HydrophobicContact CE1-CZ 3.56Å; Y433-F454 HydrophobicContact CE2-CZ 4.11Å; Y433-F454 HydrophobicContact CG-CE1 4.19Å; Y433-F454 HydrophobicContact CG-CZ 4.06Å; Y433-F454 AromaticContact CZ-CZ 3.79Å; L445-F454 HydrophobicContact CB-CE1 3.9Å; L445-F454 HydrophobicContact CB-CE2 3.89Å; L445-F454 HydrophobicContact CB-CZ 3.53Å; L445-F454 HydrophobicContact CD1-CE2 4.46Å; L445-F454 WeakPolarHBondContact O-CD1 3.33Å; L445-F454 PolarHBondContact O-N 2.86Å; W446-F454 VanDerWaalsContact C-CE1 3.46Å; D447-F454 HydrophobicContact CB-CD1 4.03Å; D447-F454 HydrophobicContact CB-CE1 4.37Å; K452-F454 PolarHBondContact O-N 3.01Å; F454-W495 AromaticContact CE2-CE2 3.75Å; F454-W495 AromaticContact CE2-CZ2 3.68Å; F454-W495 HydrophobicContact CE2-CZ2 3.68Å; F454-W495 AromaticContact CE2-NE1 3.57Å; F454-W495 HydrophobicContact CZ-CH2 4.49Å; F454-W495 AromaticContact CZ-CZ2 3.71Å; F454-W495 HydrophobicContact CZ-CZ2 3.71Å
455	K	95.1	Very high	87.4	Confident	79 Å²	79	75.3 Å²	75.3	34%	0.343	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	137.7	176.9	-178	75.4	-180	-164.6	0	109.7	L445 N453 L457 W495	L445-K455 HydrophobicContact CB-CB 4.24Å; L445-K455 HydrophobicContact CD1-CB 3.89Å; L445-K455 HydrophobicContact CD1-CG 3.92Å; L445-K455 PolarHBondContact N-O 2.85Å; N453-K455 PolarHBondContact ND2-O 3.36Å; K455-L457 HydrophobicContact CD-CD2 4.35Å; K455-L457 HydrophobicContact CG-CD2 3.84Å; K455-W495 HydrophobicContact CD-CB 4.37Å; K455-W495 HydrophobicContact CD-CG 4.47Å; K455-W495 HydrophobicContact CG-CB 4.11Å; K455-W495 HydrophobicContact CG-CG 3.94Å
456	T	94.8	Very high	86.9	Confident	46 Å²	46	75.5 Å²	75.5	28%	0.282	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.2	168.8	-58.5	0	0	0	0	107.3	Q442 V443 K444 N453 I458	Q442-T456 HydrophobicContact CB-CG2 4.07Å; Q442-T456 HydrophobicContact CG-CG2 4.26Å; V443-T456 WeakPolarHBondContact O-CA 3.37Å; K444-T456 HydrophobicContact CG-CG2 4.17Å; N453-T456 PolarHBondContact OD1-OG1 2.96Å; N453-T456 VanDerWaalsContact OD1-OG1 3.1Å; T456-I458 HydrophobicContact CG2-CG1 4.3Å
457	L	94.5	Very high	86.7	Confident	11 Å²	11	78 Å²	78	6%	0.058	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	139.8	169.5	-47.1	174.9	0	0	0	106.9	V443 L445 K455 P459 Y490 W495	V443-L457 HydrophobicContact CB-CB 4.2Å; V443-L457 PolarHBondContact N-O 2.81Å; V443-L457 PolarHBondContact O-N 3.25Å; L445-L457 HydrophobicContact CD1-CD1 4.13Å; L445-L457 HydrophobicContact CD1-CG 4.26Å; K455-L457 HydrophobicContact CD-CD2 4.35Å; K455-L457 HydrophobicContact CG-CD2 3.84Å; L457-P459 VanDerWaalsContact C-CD 3.46Å; L457-P459 WeakPolarHBondContact O-CD 3.47Å; L457-Y490 HydrophobicContact CD1-CD1 3.9Å; L457-Y490 HydrophobicContact CD1-CD2 4.27Å; L457-Y490 HydrophobicContact CD1-CE1 4.09Å; L457-Y490 HydrophobicContact CD1-CE2 4.45Å; L457-Y490 HydrophobicContact CD1-CG 4Å; L457-W495 HydrophobicContact CD2-CB 3.85Å
458	I	91.5	Very high	86.7	Confident	79 Å²	79	77.6 Å²	77.6	41%	0.405	39%	0.388	S	S	.	.			trans	-118.7	82.6	176	-53.6	174.9	0	0	0	105.8	Q442 T456 G460 E461	Q442-I458 HydrophobicContact CG-CG1 4.43Å; T456-I458 HydrophobicContact CG2-CG1 4.3Å; I458-G460 PolarHBondContact O-N 3.36Å; I458-E461 HydrophobicContact CG2-CB 4.15Å; I458-E461 HydrophobicContact CG2-CG 4.43Å
459	P	85.6	Confident	86.8	Confident	1 Å²	1	77.9 Å²	77.9	1%	0.006	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	133.6	171.6	-23.3	34.8	0	0	0	109.9	V443 L457 Y466 I468	V443-P459 HydrophobicContact CG2-CG 3.97Å; L457-P459 VanDerWaalsContact C-CD 3.46Å; L457-P459 WeakPolarHBondContact O-CD 3.47Å; P459-Y466 HydrophobicContact CB-CD1 3.92Å; P459-Y466 HydrophobicContact CB-CE1 3.41Å; P459-Y466 VanDerWaalsContact CB-CE1 3.41Å; P459-Y466 HydrophobicContact CB-CE2 4.19Å; P459-Y466 HydrophobicContact CG-CE1 4.27Å; P459-I468 HydrophobicContact CG-CD1 4.29Å
460	G	77.2	Confident	87.1	Confident	4 Å²	4	71.5 Å²	71.5	4%	0.041	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	42.6	177.6	0	0	0	0	0	114.1	I458 D462 Q463 R488	I458-G460 PolarHBondContact O-N 3.36Å; G460-D462 PolarHBondContact O-N 3.32Å; G460-Q463 WeakPolarHBondContact O-CA 3.21Å; G460-Q463 WeakPolarHBondContact O-CB 3.39Å; G460-Q463 PolarHBondContact O-N 3.45Å; G460-R488 VanDerWaalsContact N-CZ 3.34Å; G460-R488 VanDerWaalsContact N-NH1 3.11Å
461	E	75	Confident	87.4	Confident	155 Å²	155	64.2 Å²	64.2	72%	0.724	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-30	174.2	-170.6	172.1	-173.4	0	0	113	I458 Q463	I458-E461 HydrophobicContact CG2-CB 4.15Å; I458-E461 HydrophobicContact CG2-CG 4.43Å; E461-Q463 VanDerWaalsContact C-N 3.32Å; E461-Q463 PolarHBondContact O-N 2.73Å
462	D	70.7	Confident	87.8	Confident	163 Å²	163	62.5 Å²	62.5	87%	0.872	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-8.3	176.1	-53.5	-49.7	0	0	0	114.4	G460	G460-D462 PolarHBondContact O-N 3.32Å
463	Q	77.1	Confident	88.1	Confident	79 Å²	79	56.4 Å²	56.4	37%	0.369	30%	0.301	S	S	.	.			trans	-111	123.2	-175.3	-65.3	-175.2	3.5	0	0	111	G460 E461 S465	G460-Q463 WeakPolarHBondContact O-CA 3.21Å; G460-Q463 WeakPolarHBondContact O-CB 3.39Å; G460-Q463 PolarHBondContact O-N 3.45Å; E461-Q463 VanDerWaalsContact C-N 3.32Å; E461-Q463 PolarHBondContact O-N 2.73Å; Q463-S465 VanDerWaalsContact C-N 3.26Å; Q463-S465 PolarHBondContact O-N 3.23Å
464	P	65.5	Low	88.2	Confident	138 Å²	138	54.5 Å²	54.5	90%	0.896	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-18.1	-173.1	27.5	-34.9	0	0	0	114.3
465	S	79.2	Confident	87.9	Confident	99 Å²	99	55.3 Å²	55.3	69%	0.692	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.5	54.5	-174.1	68.1	0	0	0	0	111.9	Q463	Q463-S465 VanDerWaalsContact C-N 3.26Å; Q463-S465 PolarHBondContact O-N 3.23Å
466	Y	87.6	Confident	87.6	Confident	5 Å²	5	53.1 Å²	53.1	2%	0.02	29%	0.291	C	S	.	.			trans	-76.8	123.1	176.7	-167.7	-82.5	0	0	0	110.5	S441 P459 I468 D486	S441-Y466 WeakPolarHBondContact CB-O 3.5Å; S441-Y466 PolarHBondContact OG-O 3.18Å; P459-Y466 HydrophobicContact CB-CD1 3.92Å; P459-Y466 HydrophobicContact CB-CE1 3.41Å; P459-Y466 VanDerWaalsContact CB-CE1 3.41Å; P459-Y466 HydrophobicContact CB-CE2 4.19Å; P459-Y466 HydrophobicContact CG-CE1 4.27Å; Y466-I468 HydrophobicContact CD1-CG1 3.93Å; Y466-I468 HydrophobicContact CE1-CD1 4.45Å; Y466-I468 HydrophobicContact CE1-CG1 3.61Å; Y466-D486 WeakPolarHBondContact CE2-OD1 3.23Å; Y466-D486 VanDerWaalsContact CZ-OD1 3.24Å; Y466-D486 PolarHBondContact OH-OD1 3.41Å
467	E	91	Very high	87.4	Confident	70 Å²	70	51.6 Å²	51.6	33%	0.327	28%	0.284	S	S	.	.			trans	-104.9	146.8	174.5	65.7	174.5	-149.8	0	0	111.1	G484 T485 P507 R525	E467-G484 CarbonylContact O-C 3.56Å; E467-G484 VanDerWaalsContact O-C 3.29Å; E467-G484 WeakPolarHBondContact O-CA 3.33Å; E467-T485 PolarHBondContact N-OG1 2.9Å; E467-T485 PolarHBondContact O-N 3.4Å; E467-P507 HydrophobicContact CG-CB 4.08Å; E467-P507 HydrophobicContact CG-CG 4.21Å; E467-P507 WeakPolarHBondContact OE1-CB 3.43Å; E467-P507 WeakPolarHBondContact OE1-CG 3.48Å; E467-R525 IonicContact OE1-CZ 3.7Å; E467-R525 IonicContact OE1-NH1 3.51Å; E467-R525 PolarHBondContact OE1-NH1 3.46Å; E467-R525 IonicContact OE1-NH2 3.47Å; E467-R525 IonicContact OE2-NH1 2.93Å
468	I	94.6	Very high	87.3	Confident	6 Å²	6	52.5 Å²	52.5	3%	0.031	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	120.7	174.5	-59.7	155.7	0	0	0	107.9	T423 S437 V443 P459 Y466 M471 V482	T423-I468 VanDerWaalsContact CB-O 3.23Å; T423-I468 WeakPolarHBondContact CB-O 3.47Å; T423-I468 PolarHBondContact OG1-O 2.99Å; S437-I468 VanDerWaalsContact CB-CG2 3.5Å; V443-I468 HydrophobicContact CG2-CD1 3.6Å; P459-I468 HydrophobicContact CG-CD1 4.29Å; Y466-I468 HydrophobicContact CD1-CG1 3.93Å; Y466-I468 HydrophobicContact CE1-CD1 4.45Å; Y466-I468 HydrophobicContact CE1-CG1 3.61Å; I468-M471 HydrophobicContact CG2-CG 4.12Å; I468-M471 HydrophobicContact CG2-SD 4.46Å; I468-V482 HydrophobicContact CG1-CG1 4.19Å; I468-V482 HydrophobicContact CG2-CG1 3.72Å
469	C	95.1	Very high	87.5	Confident	35 Å²	35	49.3 Å²	49.3	24%	0.236	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-39.4	-176.7	-67.8	0	0	0	0	112.9	A483 A508	C469-A483 PolarHBondContact N-O 3.42Å; C469-A508 WeakPolarHBondContact CB-O 3.39Å
470	D	97	Very high	88.1	Confident	28 Å²	28	49.2 Å²	49.2	15%	0.15	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	156.9	-174.1	-168.1	22	0	0	0	111.2	A483 G510 V511 R512	D470-A483 HydrophobicContact CB-CB 4.25Å; D470-A483 PolarHBondContact N-O 3.2Å; D470-A483 VanDerWaalsContact N-O 3.15Å; D470-A483 PolarHBondContact O-N 2.89Å; D470-G510 WeakPolarHBondContact OD2-CA 3.42Å; D470-V511 PolarHBondContact OD2-N 2.84Å; D470-R512 IonicContact OD1-NH1 3.56Å; D470-R512 IonicContact OD2-CZ 3.64Å; D470-R512 IonicContact OD2-NH1 3.15Å; D470-R512 PolarHBondContact OD2-NH1 3.02Å; D470-R512 IonicContact OD2-NH2 3.24Å
471	M	97.3	Very high	89.1	Confident	6 Å²	6	49 Å²	49	3%	0.03	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	147.3	178.2	-62.4	-173.9	-64.8	0	0	110.3	A424 A426 A435 T436 V443 I468 L480 A481 V482	A424-M471 HydrophobicContact CB-CE 4.16Å; A426-M471 HydrophobicContact CB-CB 4.19Å; A426-M471 WeakPolarHBondContact CB-O 3.02Å; A435-M471 HydrophobicContact CB-CE 4.07Å; A435-M471 HydrophobicContact CB-SD 4.35Å; T436-M471 VanDerWaalsContact C-CE 3.45Å; V443-M471 HydrophobicContact CB-SD 4.27Å; V443-M471 HydrophobicContact CG1-CE 4.5Å; V443-M471 HydrophobicContact CG1-SD 3.56Å; V443-M471 VanDerWaalsContact CG1-SD 3.56Å; V443-M471 HydrophobicContact CG2-SD 3.72Å; I468-M471 HydrophobicContact CG2-CG 4.12Å; I468-M471 HydrophobicContact CG2-SD 4.46Å; M471-L480 HydrophobicContact CB-CD1 4.36Å; M471-A481 VanDerWaalsContact CA-O 3.27Å; M471-A481 WeakPolarHBondContact CA-O 3.36Å; M471-V482 HydrophobicContact CG-CB 4.43Å; M471-V482 HydrophobicContact CG-CG1 4.18Å; M471-V482 HydrophobicContact CG-CG2 4.16Å; M471-V482 HydrophobicContact SD-CG2 4.26Å
472	E	97.2	Very high	90.2	Very high	49 Å²	49	41.7 Å²	41.7	23%	0.229	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	138.1	175.3	-158.8	-164.3	-161.6	0	0	110.9	L480 A481 R512 F513	E472-L480 WeakPolarHBondContact O-CD1 3.47Å; E472-A481 PolarHBondContact N-O 3.31Å; E472-A481 PolarHBondContact O-N 2.95Å; E472-R512 VanDerWaalsContact OE1-CD 3.29Å; E472-R512 WeakPolarHBondContact OE1-CD 3.19Å; E472-R512 IonicContact OE1-NE 2.93Å; E472-R512 WeakPolarHBondContact OE2-CA 3.11Å; E472-R512 WeakPolarHBondContact OE2-CD 2.98Å; E472-F513 WeakPolarHBondContact O-CE2 3.45Å; E472-F513 PolarHBondContact OE2-N 2.82Å
473	F	96.9	Very high	91.4	Very high	12 Å²	12	33.9 Å²	33.9	5%	0.053	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	141.5	162.9	-75.5	-81.9	0	0	0	109.6	A426 F427 A435 L445 Y479 L480 W495	A426-F473 HydrophobicContact CB-CD2 4.09Å; A426-F473 HydrophobicContact CB-CE2 4.37Å; A426-F473 WeakPolarHBondContact O-CE2 3.32Å; F427-F473 WeakPolarHBondContact O-CD2 3.15Å; A435-F473 HydrophobicContact CB-CE2 3.54Å; A435-F473 HydrophobicContact CB-CZ 3.8Å; L445-F473 HydrophobicContact CD2-CZ 4.11Å; F473-Y479 WeakPolarHBondContact CA-O 3.36Å; F473-L480 HydrophobicContact CD1-CB 4.05Å; F473-L480 HydrophobicContact CD1-CD1 4.11Å; F473-L480 HydrophobicContact CD2-CD1 4.07Å; F473-L480 HydrophobicContact CE1-CB 3.88Å; F473-L480 HydrophobicContact CE1-CD1 4Å; F473-L480 HydrophobicContact CE1-CD2 4.36Å; F473-L480 HydrophobicContact CE1-CG 4.3Å; F473-L480 HydrophobicContact CE2-CD1 3.96Å; F473-L480 HydrophobicContact CG-CD1 4.15Å; F473-L480 HydrophobicContact CZ-CD1 3.93Å; F473-L480 HydrophobicContact CZ-CD2 4.25Å; F473-L480 HydrophobicContact CZ-CG 4.47Å; F473-W495 HydrophobicContact CE1-CH2 4.1Å; F473-W495 HydrophobicContact CE1-CZ3 4.16Å; F473-W495 HydrophobicContact CZ-CH2 4.43Å
474	D	94.6	Very high	92.2	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.021	18%	0.179	C	C	.	.			trans	-66.8	162.3	172.3	85.5	-64.7	0	0	0	111.5	S476 G477 S478 Y479 F513 A517	D474-S476 PolarHBondContact O-N 3.2Å; D474-S476 PolarHBondContact OD1-OG 3.39Å; D474-S476 WeakPolarHBondContact OD2-CA 3.28Å; D474-S476 WeakPolarHBondContact OD2-CB 3.49Å; D474-S476 PolarHBondContact OD2-N 2.93Å; D474-S476 PolarHBondContact OD2-OG 3.27Å; D474-G477 PolarHBondContact O-N 3.39Å; D474-G477 WeakPolarHBondContact OD1-CA 3.4Å; D474-G477 PolarHBondContact OD1-N 3.42Å; D474-G477 VanDerWaalsContact OD1-N 3.09Å; D474-S478 PolarHBondContact OD1-N 3.11Å; D474-Y479 PolarHBondContact N-O 3.36Å; D474-Y479 PolarHBondContact OD1-N 3.45Å; D474-F513 HydrophobicContact CB-CB 4.27Å; D474-F513 HydrophobicContact CB-CD1 4.25Å; D474-F513 HydrophobicContact CB-CD2 3.63Å; D474-F513 HydrophobicContact CB-CE2 3.91Å; D474-F513 HydrophobicContact CB-CG 3.79Å; D474-F513 HydrophobicContact CB-CZ 4.35Å; D474-A517 HydrophobicContact CB-CB 4.37Å
475	Q	89.3	Confident	93.6	Very high	92 Å²	92	25.7 Å²	25.7	43%	0.43	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-15.4	-177.3	-60.1	-178.7	16.7	0	0	114.7	R211	R211-Q475 PolarHBondContact NH1-O 2.84Å; R211-Q475 PolarHBondContact NH2-O 3.42Å
476	S	89	Confident	94.4	Very high	33 Å²	33	21.2 Å²	21.2	23%	0.231	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-16.7	173	81	0	0	0	0	113.3	L219 D474 S478	L219-S476 WeakPolarHBondContact CD2-OG 3.26Å; D474-S476 PolarHBondContact O-N 3.2Å; D474-S476 PolarHBondContact OD1-OG 3.39Å; D474-S476 WeakPolarHBondContact OD2-CA 3.28Å; D474-S476 WeakPolarHBondContact OD2-CB 3.49Å; D474-S476 PolarHBondContact OD2-N 2.93Å; D474-S476 PolarHBondContact OD2-OG 3.27Å; S476-S478 VanDerWaalsContact C-N 3.27Å; S476-S478 WeakPolarHBondContact OG-CB 3.38Å; S476-S478 PolarHBondContact OG-N 3.22Å; S476-S478 PolarHBondContact OG-OG 2.84Å
477	G	89.4	Confident	94.8	Very high	14 Å²	14	21 Å²	21	14%	0.144	12%	0.116	C	C	.	.	S	Bend	trans	70.8	21.2	-172.2	0	0	0	0	0	113.7	D474 C492	D474-G477 PolarHBondContact O-N 3.39Å; D474-G477 WeakPolarHBondContact OD1-CA 3.4Å; D474-G477 PolarHBondContact OD1-N 3.42Å; D474-G477 VanDerWaalsContact OD1-N 3.09Å; G477-C492 WeakPolarHBondContact O-CB 3.23Å
478	S	92.2	Very high	95	Very high	31 Å²	31	18.9 Å²	18.9	22%	0.217	11%	0.105	C	C	.	.	S	Bend	trans	-90.5	-21.9	177.9	-57.9	0	0	0	0	112.6	D474 S476 C492	D474-S478 PolarHBondContact OD1-N 3.11Å; S476-S478 VanDerWaalsContact C-N 3.27Å; S476-S478 WeakPolarHBondContact OG-CB 3.38Å; S476-S478 PolarHBondContact OG-N 3.22Å; S476-S478 PolarHBondContact OG-OG 2.84Å; S478-C492 VanDerWaalsContact C-SG 3.54Å; S478-C492 VanDerWaalsContact O-CB 3.27Å; S478-C492 WeakPolarHBondContact O-CB 3.37Å; S478-C492 PolarHBondContact O-N 2.79Å
479	Y	96.6	Very high	95.2	Very high	11 Å²	11	18.6 Å²	18.6	4%	0.043	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	148.3	-174.1	-53.7	-66.1	0	0	0	111.6	L219 A220 S222 I225 F473 D474 Y490 L491 C492 L498 A517	L219-Y479 HydrophobicContact CD1-CE2 4.25Å; L219-Y479 HydrophobicContact CD2-CE2 4.28Å; L219-Y479 HydrophobicContact CG-CE2 4.24Å; A220-Y479 WeakPolarHBondContact O-CE2 3.31Å; A220-Y479 PolarHBondContact O-OH 2.75Å; S222-Y479 PolarHBondContact N-OH 3.09Å; S222-Y479 VanDerWaalsContact N-OH 3.14Å; I225-Y479 HydrophobicContact CD1-CD1 3.73Å; I225-Y479 HydrophobicContact CD1-CD2 3.72Å; I225-Y479 HydrophobicContact CD1-CE1 3.48Å; I225-Y479 VanDerWaalsContact CD1-CE1 3.48Å; I225-Y479 HydrophobicContact CD1-CE2 3.44Å; I225-Y479 VanDerWaalsContact CD1-CE2 3.44Å; I225-Y479 HydrophobicContact CD1-CG 3.85Å; F473-Y479 WeakPolarHBondContact CA-O 3.36Å; D474-Y479 PolarHBondContact N-O 3.36Å; D474-Y479 PolarHBondContact OD1-N 3.45Å; Y479-Y490 VanDerWaalsContact CA-O 3.29Å; Y479-Y490 WeakPolarHBondContact CA-O 3.48Å; Y479-L491 HydrophobicContact CD1-CD1 4.09Å; Y479-L491 HydrophobicContact CE1-CD1 3.59Å; Y479-C492 VanDerWaalsContact C-SG 3.57Å; Y479-L498 HydrophobicContact CD1-CD1 3.9Å; Y479-L498 HydrophobicContact CE1-CD1 3.75Å; Y479-A517 HydrophobicContact CD2-CB 3.94Å; Y479-A517 HydrophobicContact CE2-CB 4.28Å
480	L	98	Very high	95.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	120.8	171.9	173.3	64.9	0	0	0	108	A435 V443 L445 M471 E472 F473 V482 V489 Y490 W495	A435-L480 HydrophobicContact CB-CD1 4.2Å; A435-L480 HydrophobicContact CB-CD2 4.2Å; V443-L480 HydrophobicContact CG1-CD2 4.24Å; L445-L480 HydrophobicContact CD2-CD2 3.98Å; M471-L480 HydrophobicContact CB-CD1 4.36Å; E472-L480 WeakPolarHBondContact O-CD1 3.47Å; F473-L480 HydrophobicContact CD1-CB 4.05Å; F473-L480 HydrophobicContact CD1-CD1 4.11Å; F473-L480 HydrophobicContact CD2-CD1 4.07Å; F473-L480 HydrophobicContact CE1-CB 3.88Å; F473-L480 HydrophobicContact CE1-CD1 4Å; F473-L480 HydrophobicContact CE1-CD2 4.36Å; F473-L480 HydrophobicContact CE1-CG 4.3Å; F473-L480 HydrophobicContact CE2-CD1 3.96Å; F473-L480 HydrophobicContact CG-CD1 4.15Å; F473-L480 HydrophobicContact CZ-CD1 3.93Å; F473-L480 HydrophobicContact CZ-CD2 4.25Å; F473-L480 HydrophobicContact CZ-CG 4.47Å; L480-V482 HydrophobicContact CD2-CG2 4.43Å; L480-V482 HydrophobicContact CG-CG2 4.2Å; L480-V489 WeakPolarHBondContact O-CA 3.32Å; L480-Y490 PolarHBondContact N-O 2.98Å; L480-Y490 PolarHBondContact O-N 2.9Å; L480-W495 HydrophobicContact CD2-CZ3 4.33Å
481	A	98	Very high	95.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	140.6	169.6	0	0	0	0	0	110	M471 E472 R488 V511 F513	M471-A481 VanDerWaalsContact CA-O 3.27Å; M471-A481 WeakPolarHBondContact CA-O 3.36Å; E472-A481 PolarHBondContact N-O 3.31Å; E472-A481 PolarHBondContact O-N 2.95Å; A481-R488 CarbonylContact C-O 3.58Å; A481-R488 VanDerWaalsContact CA-O 3.3Å; A481-R488 WeakPolarHBondContact CA-O 3.35Å; A481-V511 HydrophobicContact CB-CB 4.38Å; A481-V511 HydrophobicContact CB-CG1 3.8Å; A481-V511 HydrophobicContact CB-CG2 3.64Å; A481-F513 HydrophobicContact CB-CD2 4.28Å; A481-F513 HydrophobicContact CB-CE1 4.45Å; A481-F513 HydrophobicContact CB-CE2 3.45Å; A481-F513 VanDerWaalsContact CB-CE2 3.45Å; A481-F513 HydrophobicContact CB-CZ 3.56Å
482	V	97.7	Very high	95	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	119.8	177.9	-178.4	0	0	0	0	107.6	V443 I468 M471 L480 V487 R488 Y490	V443-V482 HydrophobicContact CG2-CG1 4.15Å; V443-V482 HydrophobicContact CG2-CG2 4.21Å; I468-V482 HydrophobicContact CG1-CG1 4.19Å; I468-V482 HydrophobicContact CG2-CG1 3.72Å; M471-V482 HydrophobicContact CG-CB 4.43Å; M471-V482 HydrophobicContact CG-CG1 4.18Å; M471-V482 HydrophobicContact CG-CG2 4.16Å; M471-V482 HydrophobicContact SD-CG2 4.26Å; L480-V482 HydrophobicContact CD2-CG2 4.43Å; L480-V482 HydrophobicContact CG-CG2 4.2Å; V482-V487 CarbonylContact O-C 3.59Å; V482-V487 WeakPolarHBondContact O-CA 3.27Å; V482-R488 PolarHBondContact N-O 3.32Å; V482-R488 PolarHBondContact O-N 3.18Å; V482-Y490 HydrophobicContact CB-CE2 4.41Å; V482-Y490 HydrophobicContact CG2-CD2 4.06Å; V482-Y490 HydrophobicContact CG2-CE2 3.9Å
483	A	96.8	Very high	94.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	130.2	172.1	0	0	0	0	0	110.1	C469 D470 A508 V511	C469-A483 PolarHBondContact N-O 3.42Å; D470-A483 HydrophobicContact CB-CB 4.25Å; D470-A483 PolarHBondContact N-O 3.2Å; D470-A483 VanDerWaalsContact N-O 3.15Å; D470-A483 PolarHBondContact O-N 2.89Å; A483-A508 HydrophobicContact CB-CB 3.92Å; A483-V511 HydrophobicContact CB-CB 3.84Å; A483-V511 HydrophobicContact CB-CG1 3.64Å
484	G	94.4	Very high	94.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	-135.6	-175.9	0	0	0	0	0	111.4	E467 D486 P507 A508	E467-G484 CarbonylContact O-C 3.56Å; E467-G484 VanDerWaalsContact O-C 3.29Å; E467-G484 WeakPolarHBondContact O-CA 3.33Å; G484-D486 CarbonylContact C-O 3.46Å; G484-D486 PolarHBondContact N-O 3.03Å; G484-D486 PolarHBondContact O-N 3.44Å; G484-P507 CarbonylContact O-C 3.52Å; G484-P507 VanDerWaalsContact O-CA 3.29Å; G484-P507 WeakPolarHBondContact O-CA 3.04Å; G484-A508 PolarHBondContact N-O 3.16Å; G484-A508 PolarHBondContact O-N 3.01Å
485	T	94.8	Very high	94.3	Very high	45 Å²	45	28.3 Å²	28.3	28%	0.276	14%	0.143	S	C	.	.	S	Bend	trans	-54.9	-36.1	170.3	-56.9	0	0	0	0	111.9	E467	E467-T485 PolarHBondContact N-OG1 2.9Å; E467-T485 PolarHBondContact O-N 3.4Å
486	D	94.2	Very high	94.5	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.021	15%	0.146	C	C	.	.	S	Bend	trans	-130.1	-179.8	168.9	65.2	4.7	0	0	0	109.9	Y466 G484 R488 S500 N502	Y466-D486 WeakPolarHBondContact CE2-OD1 3.23Å; Y466-D486 VanDerWaalsContact CZ-OD1 3.24Å; Y466-D486 PolarHBondContact OH-OD1 3.41Å; G484-D486 CarbonylContact C-O 3.46Å; G484-D486 PolarHBondContact N-O 3.03Å; G484-D486 PolarHBondContact O-N 3.44Å; D486-R488 VanDerWaalsContact OD1-CG 3.28Å; D486-R488 WeakPolarHBondContact OD1-CG 3.47Å; D486-R488 IonicContact OD1-CZ 3.99Å; D486-R488 IonicContact OD1-NE 3.11Å; D486-R488 PolarHBondContact OD1-NE 3.46Å; D486-R488 IonicContact OD1-NH2 3.61Å; D486-R488 IonicContact OD2-CZ 3.62Å; D486-R488 IonicContact OD2-NE 2.86Å; D486-R488 PolarHBondContact OD2-NE 2.97Å; D486-R488 IonicContact OD2-NH2 3.82Å; D486-R488 PolarHBondContact OD2-NH2 3.03Å; D486-S500 PolarHBondContact OD2-OG 3.18Å; D486-N502 VanDerWaalsContact CB-OD1 3.3Å; D486-N502 WeakPolarHBondContact CB-OD1 3.46Å
487	V	96.5	Very high	94.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	124.4	171.7	-179.1	0	0	0	0	108.7	V482 S500 F501 A508 V511 V520	V482-V487 CarbonylContact O-C 3.59Å; V482-V487 WeakPolarHBondContact O-CA 3.27Å; V487-S500 CarbonylContact O-C 3.56Å; V487-S500 WeakPolarHBondContact O-CA 3.38Å; V487-F501 HydrophobicContact CB-CB 4.27Å; V487-F501 HydrophobicContact CB-CD2 4.12Å; V487-F501 HydrophobicContact CG1-CD2 4.09Å; V487-F501 PolarHBondContact N-O 3.38Å; V487-F501 PolarHBondContact O-N 3.03Å; V487-A508 HydrophobicContact CG2-CB 3.51Å; V487-V511 HydrophobicContact CG1-CB 4.48Å; V487-V511 HydrophobicContact CG1-CG2 3.89Å; V487-V520 HydrophobicContact CG1-CG1 4.38Å
488	R	96.2	Very high	95.1	Very high	26 Å²	26	32.1 Å²	32.1	10%	0.098	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	147.9	-179.3	-58.7	-170.4	-179.8	-153.6	-2.2	111.5	G460 A481 V482 D486 Y490 I499	G460-R488 VanDerWaalsContact N-CZ 3.34Å; G460-R488 VanDerWaalsContact N-NH1 3.11Å; A481-R488 CarbonylContact C-O 3.58Å; A481-R488 VanDerWaalsContact CA-O 3.3Å; A481-R488 WeakPolarHBondContact CA-O 3.35Å; V482-R488 PolarHBondContact N-O 3.32Å; V482-R488 PolarHBondContact O-N 3.18Å; D486-R488 VanDerWaalsContact OD1-CG 3.28Å; D486-R488 WeakPolarHBondContact OD1-CG 3.47Å; D486-R488 IonicContact OD1-CZ 3.99Å; D486-R488 IonicContact OD1-NE 3.11Å; D486-R488 PolarHBondContact OD1-NE 3.46Å; D486-R488 IonicContact OD1-NH2 3.61Å; D486-R488 IonicContact OD2-CZ 3.62Å; D486-R488 IonicContact OD2-NE 2.86Å; D486-R488 PolarHBondContact OD2-NE 2.97Å; D486-R488 IonicContact OD2-NH2 3.82Å; D486-R488 PolarHBondContact OD2-NH2 3.03Å; R488-Y490 HydrophobicContact CB-CD2 4.38Å; R488-Y490 HydrophobicContact CB-CE2 3.66Å; R488-Y490 WeakPolarHBondContact CD-OH 3.14Å; R488-I499 WeakPolarHBondContact CA-O 3.27Å
489	V	97.7	Very high	95.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	129.6	172.5	-175	0	0	0	0	109.6	I225 L480 L498 I499 F501 F513 V520	I225-V489 HydrophobicContact CG2-CB 4.17Å; I225-V489 HydrophobicContact CG2-CG1 3.89Å; L480-V489 WeakPolarHBondContact O-CA 3.32Å; V489-L498 PolarHBondContact O-N 3.41Å; V489-I499 HydrophobicContact CB-CG2 4.03Å; V489-I499 HydrophobicContact CG2-CG2 4.16Å; V489-I499 PolarHBondContact N-O 3.27Å; V489-I499 VanDerWaalsContact N-O 3.11Å; V489-F501 HydrophobicContact CG2-CE2 4.31Å; V489-F513 HydrophobicContact CG1-CE1 4.16Å; V489-F513 HydrophobicContact CG1-CZ 4.01Å; V489-V520 HydrophobicContact CG2-CG2 4.18Å
490	Y	97.3	Very high	95.1	Very high	10 Å²	10	32.9 Å²	32.9	4%	0.039	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	143.5	179.5	-64.3	-92.4	0	0	0	110.7	L457 Y479 L480 V482 R488 D496 Q497	L457-Y490 HydrophobicContact CD1-CD1 3.9Å; L457-Y490 HydrophobicContact CD1-CD2 4.27Å; L457-Y490 HydrophobicContact CD1-CE1 4.09Å; L457-Y490 HydrophobicContact CD1-CE2 4.45Å; L457-Y490 HydrophobicContact CD1-CG 4Å; Y479-Y490 VanDerWaalsContact CA-O 3.29Å; Y479-Y490 WeakPolarHBondContact CA-O 3.48Å; L480-Y490 PolarHBondContact N-O 2.98Å; L480-Y490 PolarHBondContact O-N 2.9Å; V482-Y490 HydrophobicContact CB-CE2 4.41Å; V482-Y490 HydrophobicContact CG2-CD2 4.06Å; V482-Y490 HydrophobicContact CG2-CE2 3.9Å; R488-Y490 HydrophobicContact CB-CD2 4.38Å; R488-Y490 HydrophobicContact CB-CE2 3.66Å; R488-Y490 WeakPolarHBondContact CD-OH 3.14Å; Y490-D496 WeakPolarHBondContact CA-O 3.31Å; Y490-Q497 HydrophobicContact CD1-CB 3.98Å; Y490-Q497 HydrophobicContact CE1-CB 3.69Å; Y490-Q497 HydrophobicContact CE1-CG 4.11Å
491	L	95.8	Very high	94.9	Very high	32 Å²	32	33.6 Å²	33.6	17%	0.168	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	120.7	170.4	179.4	63.9	0	0	0	109.9	Y479 Q494 W495 D496 L498	Y479-L491 HydrophobicContact CD1-CD1 4.09Å; Y479-L491 HydrophobicContact CE1-CD1 3.59Å; L491-Q494 HydrophobicContact CD2-CB 4.31Å; L491-Q494 HydrophobicContact CD2-CG 4.32Å; L491-W495 WeakPolarHBondContact O-CA 3.35Å; L491-W495 PolarHBondContact O-N 3.05Å; L491-D496 PolarHBondContact N-O 2.65Å; L491-L498 HydrophobicContact CB-CD1 4.07Å; L491-L498 HydrophobicContact CB-CD2 4.09Å; L491-L498 HydrophobicContact CB-CG 4.07Å
492	C	93.1	Very high	94.7	Very high	6 Å²	6	39 Å²	39	4%	0.041	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	152.1	175.9	-66.5	0	0	0	0	111.5	G477 S478 Y479 Q494 W495	G477-C492 WeakPolarHBondContact O-CB 3.23Å; S478-C492 VanDerWaalsContact C-SG 3.54Å; S478-C492 VanDerWaalsContact O-CB 3.27Å; S478-C492 WeakPolarHBondContact O-CB 3.37Å; S478-C492 PolarHBondContact O-N 2.79Å; Y479-C492 VanDerWaalsContact C-SG 3.57Å; C492-Q494 VanDerWaalsContact C-N 3.32Å; C492-Q494 PolarHBondContact O-N 3.28Å; C492-Q494 PolarHBondContact O-OE1 2.93Å; C492-W495 HydrophobicContact CB-CH2 4.14Å; C492-W495 HydrophobicContact CB-CZ3 4.2Å
493	K	88	Confident	94.4	Very high	170 Å²	170	40.6 Å²	40.6	74%	0.739	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.2	-56.4	-171.4	-53.7	175.4	179.2	173	0	114.2	W495	K493-W495 PolarHBondContact O-NE1 2.92Å
494	Q	91.8	Very high	94.2	Very high	104 Å²	104	41.7 Å²	41.7	49%	0.486	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-36.6	175.7	-67.8	79.4	2.6	0	0	111.2	L491 C492 D496	L491-Q494 HydrophobicContact CD2-CB 4.31Å; L491-Q494 HydrophobicContact CD2-CG 4.32Å; C492-Q494 VanDerWaalsContact C-N 3.32Å; C492-Q494 PolarHBondContact O-N 3.28Å; C492-Q494 PolarHBondContact O-OE1 2.93Å; Q494-D496 WeakPolarHBondContact CB-OD2 3.25Å; Q494-D496 PolarHBondContact O-N 3.23Å
495	W	93.7	Very high	94.2	Very high	17 Å²	17	48 Å²	48	6%	0.064	25%	0.251	C	S	.	.			trans	62.4	30.6	-176.1	-47.6	101	0	0	0	113.7	Y433 L445 F454 K455 L457 F473 L480 L491 C492 K493	Y433-W495 HydrophobicContact CD2-CH2 4.24Å; Y433-W495 HydrophobicContact CD2-CZ2 4.1Å; Y433-W495 AromaticContact CE2-CZ2 3.99Å; Y433-W495 HydrophobicContact CE2-CZ2 3.99Å; L445-W495 HydrophobicContact CD1-CD2 3.34Å; L445-W495 HydrophobicContact CD1-CE3 3.23Å; L445-W495 HydrophobicContact CD1-CG 4.06Å; L445-W495 HydrophobicContact CD1-CH2 3.64Å; L445-W495 HydrophobicContact CD1-CZ2 3.78Å; L445-W495 HydrophobicContact CD1-CZ3 3.38Å; L445-W495 HydrophobicContact CD2-CE3 4.48Å; L445-W495 HydrophobicContact CD2-CH2 3.92Å; L445-W495 HydrophobicContact CD2-CZ3 3.83Å; L445-W495 HydrophobicContact CG-CE3 4.48Å; L445-W495 HydrophobicContact CG-CH2 4.32Å; L445-W495 HydrophobicContact CG-CZ3 4.24Å; F454-W495 AromaticContact CE2-CE2 3.75Å; F454-W495 AromaticContact CE2-CZ2 3.68Å; F454-W495 HydrophobicContact CE2-CZ2 3.68Å; F454-W495 AromaticContact CE2-NE1 3.57Å; F454-W495 HydrophobicContact CZ-CH2 4.49Å; F454-W495 AromaticContact CZ-CZ2 3.71Å; F454-W495 HydrophobicContact CZ-CZ2 3.71Å; K455-W495 HydrophobicContact CD-CB 4.37Å; K455-W495 HydrophobicContact CD-CG 4.47Å; K455-W495 HydrophobicContact CG-CB 4.11Å; K455-W495 HydrophobicContact CG-CG 3.94Å; L457-W495 HydrophobicContact CD2-CB 3.85Å; F473-W495 HydrophobicContact CE1-CH2 4.1Å; F473-W495 HydrophobicContact CE1-CZ3 4.16Å; F473-W495 HydrophobicContact CZ-CH2 4.43Å; L480-W495 HydrophobicContact CD2-CZ3 4.33Å; L491-W495 WeakPolarHBondContact O-CA 3.35Å; L491-W495 PolarHBondContact O-N 3.05Å; C492-W495 HydrophobicContact CB-CH2 4.14Å; C492-W495 HydrophobicContact CB-CZ3 4.2Å; K493-W495 PolarHBondContact O-NE1 2.92Å
496	D	94	Very high	94.2	Very high	95 Å²	95	47.2 Å²	47.2	51%	0.508	25%	0.248	S	C	.	.			trans	-78.5	138.4	171.9	-60.1	-32.1	0	0	0	109.1	Y490 L491 Q494 L498	Y490-D496 WeakPolarHBondContact CA-O 3.31Å; L491-D496 PolarHBondContact N-O 2.65Å; Q494-D496 WeakPolarHBondContact CB-OD2 3.25Å; Q494-D496 PolarHBondContact O-N 3.23Å; D496-L498 PolarHBondContact O-N 2.7Å
497	Q	94.3	Very high	94.2	Very high	88 Å²	88	48.6 Å²	48.6	41%	0.411	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	120.5	171.5	-174.7	-176.7	-58.5	0	0	108.7	Y490	Y490-Q497 HydrophobicContact CD1-CB 3.98Å; Y490-Q497 HydrophobicContact CE1-CB 3.69Å; Y490-Q497 HydrophobicContact CE1-CG 4.11Å
498	L	95.3	Very high	94.3	Very high	36 Å²	36	48.6 Å²	48.6	19%	0.188	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-42.8	178	-63.7	180	0	0	0	111.6	I225 S226 Y479 V489 L491 D496	I225-L498 HydrophobicContact CB-CD1 4.18Å; I225-L498 HydrophobicContact CD1-CD1 4.49Å; I225-L498 HydrophobicContact CG2-CB 4.3Å; I225-L498 HydrophobicContact CG2-CD1 4.05Å; S226-L498 WeakPolarHBondContact CB-O 3.35Å; Y479-L498 HydrophobicContact CD1-CD1 3.9Å; Y479-L498 HydrophobicContact CE1-CD1 3.75Å; V489-L498 PolarHBondContact O-N 3.41Å; L491-L498 HydrophobicContact CB-CD1 4.07Å; L491-L498 HydrophobicContact CB-CD2 4.09Å; L491-L498 HydrophobicContact CB-CG 4.07Å; D496-L498 PolarHBondContact O-N 2.7Å
499	I	95.8	Very high	94.3	Very high	24 Å²	24	47.8 Å²	47.8	12%	0.123	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	154.6	-177.5	-167.2	158.1	0	0	0	111.3	I225 Y228 R488 V489 F501	I225-I499 HydrophobicContact CG2-CG2 4.17Å; Y228-I499 WeakPolarHBondContact O-CD1 3.14Å; R488-I499 WeakPolarHBondContact CA-O 3.27Å; V489-I499 HydrophobicContact CB-CG2 4.03Å; V489-I499 HydrophobicContact CG2-CG2 4.16Å; V489-I499 PolarHBondContact N-O 3.27Å; V489-I499 VanDerWaalsContact N-O 3.11Å; I499-F501 HydrophobicContact CB-CZ 4.44Å; I499-F501 HydrophobicContact CD1-CD1 4.17Å; I499-F501 HydrophobicContact CD1-CE1 3.41Å; I499-F501 VanDerWaalsContact CD1-CE1 3.41Å; I499-F501 HydrophobicContact CD1-CZ 3.71Å; I499-F501 HydrophobicContact CG1-CD1 4.29Å; I499-F501 HydrophobicContact CG1-CE1 3.88Å; I499-F501 HydrophobicContact CG1-CZ 4Å; I499-F501 HydrophobicContact CG2-CD2 4.47Å; I499-F501 HydrophobicContact CG2-CE1 4.37Å; I499-F501 HydrophobicContact CG2-CE2 3.67Å; I499-F501 HydrophobicContact CG2-CZ 3.61Å
500	S	94.2	Very high	94.3	Very high	33 Å²	33	47.8 Å²	47.8	23%	0.231	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	128.3	168.3	157.7	0	0	0	0	108.6	D486 V487 N502	D486-S500 PolarHBondContact OD2-OG 3.18Å; V487-S500 CarbonylContact O-C 3.56Å; V487-S500 WeakPolarHBondContact O-CA 3.38Å; S500-N502 PolarHBondContact OG-ND2 2.88Å
501	F	94.3	Very high	94.3	Very high	16 Å²	16	47.3 Å²	47.3	7%	0.07	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	109.7	177.2	-53.4	-74.4	0	0	0	110.1	Y228 V487 V489 I499 A503 F532	Y228-F501 HydrophobicContact CD2-CZ 4.31Å; Y228-F501 HydrophobicContact CG-CZ 4.49Å; V487-F501 HydrophobicContact CB-CB 4.27Å; V487-F501 HydrophobicContact CB-CD2 4.12Å; V487-F501 HydrophobicContact CG1-CD2 4.09Å; V487-F501 PolarHBondContact N-O 3.38Å; V487-F501 PolarHBondContact O-N 3.03Å; V489-F501 HydrophobicContact CG2-CE2 4.31Å; I499-F501 HydrophobicContact CB-CZ 4.44Å; I499-F501 HydrophobicContact CD1-CD1 4.17Å; I499-F501 HydrophobicContact CD1-CE1 3.41Å; I499-F501 VanDerWaalsContact CD1-CE1 3.41Å; I499-F501 HydrophobicContact CD1-CZ 3.71Å; I499-F501 HydrophobicContact CG1-CD1 4.29Å; I499-F501 HydrophobicContact CG1-CE1 3.88Å; I499-F501 HydrophobicContact CG1-CZ 4Å; I499-F501 HydrophobicContact CG2-CD2 4.47Å; I499-F501 HydrophobicContact CG2-CE1 4.37Å; I499-F501 HydrophobicContact CG2-CE2 3.67Å; I499-F501 HydrophobicContact CG2-CZ 3.61Å; F501-A503 VanDerWaalsContact C-N 3.29Å; F501-A503 PolarHBondContact O-N 2.78Å; F501-F532 HydrophobicContact CB-CD1 4.43Å; F501-F532 HydrophobicContact CB-CE1 3.9Å; F501-F532 HydrophobicContact CB-CE2 4.18Å; F501-F532 HydrophobicContact CB-CZ 3.76Å; F501-F532 HydrophobicContact CD1-CB 4.42Å; F501-F532 AromaticContact CD1-CD1 3.47Å; F501-F532 HydrophobicContact CD1-CD1 3.47Å; F501-F532 VanDerWaalsContact CD1-CD1 3.47Å; F501-F532 HydrophobicContact CD1-CD2 4.44Å; F501-F532 AromaticContact CD1-CE1 3.75Å; F501-F532 HydrophobicContact CD1-CE1 3.75Å; F501-F532 AromaticContact CD1-CG 3.87Å; F501-F532 HydrophobicContact CD1-CG 3.87Å; F501-F532 HydrophobicContact CD1-CZ 4.34Å; F501-F532 HydrophobicContact CD2-CD1 4.46Å; F501-F532 HydrophobicContact CD2-CD2 4Å; F501-F532 HydrophobicContact CD2-CE2 4.17Å; F501-F532 HydrophobicContact CD2-CG 4.15Å; F501-F532 HydrophobicContact CE1-CB 3.84Å; F501-F532 AromaticContact CE1-CD1 3.69Å; F501-F532 HydrophobicContact CE1-CD1 3.69Å; F501-F532 HydrophobicContact CE1-CE1 4.43Å; F501-F532 AromaticContact CE1-CG 3.79Å; F501-F532 HydrophobicContact CE1-CG 3.79Å; F501-F532 HydrophobicContact CE2-CB 4.16Å; F501-F532 HydrophobicContact CE2-CD2 4.14Å; F501-F532 HydrophobicContact CE2-CG 4.08Å; F501-F532 AromaticContact CG-CD1 3.89Å; F501-F532 HydrophobicContact CG-CD1 3.89Å; F501-F532 HydrophobicContact CG-CD2 4.15Å; F501-F532 AromaticContact CG-CE1 3.87Å; F501-F532 HydrophobicContact CG-CE1 3.87Å; F501-F532 HydrophobicContact CG-CE2 4.1Å; F501-F532 HydrophobicContact CG-CG 4.04Å; F501-F532 AromaticContact CG-CZ 3.98Å; F501-F532 HydrophobicContact CG-CZ 3.98Å; F501-F532 HydrophobicContact CZ-CB 3.68Å; F501-F532 HydrophobicContact CZ-CD1 4.28Å; F501-F532 HydrophobicContact CZ-CD2 4.42Å; F501-F532 AromaticContact CZ-CG 3.89Å; F501-F532 HydrophobicContact CZ-CG 3.89Å
502	N	92.5	Very high	94.4	Very high	113 Å²	113	47.1 Å²	47.1	60%	0.604	25%	0.251	S	S	*	.			trans	-97	36.7	174.3	-65.3	-74	0	0	0	111.6	D486 S500	D486-N502 VanDerWaalsContact CB-OD1 3.3Å; D486-N502 WeakPolarHBondContact CB-OD1 3.46Å; S500-N502 PolarHBondContact OG-ND2 2.88Å
503	A	90.9	Very high	94.6	Very high	33 Å²	33	47.2 Å²	47.2	27%	0.273	25%	0.251	S	S	.	.			trans	-85	-23.4	-171.4	0	0	0	0	0	113.7	F501 K530 F532	F501-A503 VanDerWaalsContact C-N 3.29Å; F501-A503 PolarHBondContact O-N 2.78Å; A503-K530 HydrophobicContact CB-CD 3.75Å; A503-K530 WeakPolarHBondContact O-CE 3.49Å; A503-K530 PolarHBondContact O-NZ 2.78Å; A503-F532 HydrophobicContact CB-CE1 3.87Å; A503-F532 HydrophobicContact CB-CZ 3.97Å
504	H	94.5	Very high	94.8	Very high	24 Å²	24	39.3 Å²	39.3	11%	0.111	22%	0.218	C	C	.	.			trans	-81.3	147	176.2	-73.3	-66.5	0	0	0	111.2	A506 S522 S524 D526 S528 K530	H504-A506 VanDerWaalsContact CB-O 3.26Å; H504-A506 WeakPolarHBondContact CB-O 3.22Å; H504-S522 PolarHBondContact NE2-OG 3.3Å; H504-S524 VanDerWaalsContact CG-CB 3.48Å; H504-S524 WeakPolarHBondContact ND1-CB 3.41Å; H504-D526 WeakPolarHBondContact CA-OD2 3.25Å; H504-D526 WeakPolarHBondContact CB-OD2 3.45Å; H504-D526 IonicContact CG-OD2 3.22Å; H504-D526 IonicContact ND1-OD1 3.71Å; H504-D526 IonicContact ND1-OD2 3.87Å; H504-D526 PolarHBondContact ND1-OD2 3.3Å; H504-D526 VanDerWaalsContact ND1-OD2 3.11Å; H504-S528 PolarHBondContact CE1-OG 3.27Å; H504-S528 PolarHBondContact ND1-OG 3.22Å; H504-K530 VanDerWaalsContact CE1-CD 3.44Å; H504-K530 WeakPolarHBondContact CE1-CD 3.41Å; H504-K530 WeakPolarHBondContact ND1-CE 3.36Å
505	T	93.7	Very high	94.8	Very high	133 Å²	133	39.7 Å²	39.7	82%	0.816	22%	0.219	S	C	*	.	S	Bend	trans	-92.5	-6.6	176.9	58	0	0	0	0	112.9	D526	T505-D526 PolarHBondContact N-OD2 3.47Å; T505-D526 VanDerWaalsContact OG1-CB 3.29Å; T505-D526 WeakPolarHBondContact OG1-CB 3.28Å
506	A	94.6	Very high	94.7	Very high	27 Å²	27	41 Å²	41	22%	0.223	23%	0.227	C	C	.	.	S	Bend	trans	-137.2	165.5	171.8	0	0	0	0	0	109.6	H504 A508 S524 R525 D526	H504-A506 VanDerWaalsContact CB-O 3.26Å; H504-A506 WeakPolarHBondContact CB-O 3.22Å; A506-A508 PolarHBondContact O-N 3.31Å; A506-S524 PolarHBondContact O-OG 2.88Å; A506-R525 HydrophobicContact CB-CB 4.02Å; A506-D526 HydrophobicContact CB-CB 3.92Å
507	P	94.7	Very high	94.7	Very high	33 Å²	33	36.5 Å²	36.5	21%	0.214	20%	0.203	C	C	.	.			trans	-55.4	135.5	-178.8	-28.4	37.3	0	0	0	113.2	E467 G484 S524 R525	E467-P507 HydrophobicContact CG-CB 4.08Å; E467-P507 HydrophobicContact CG-CG 4.21Å; E467-P507 WeakPolarHBondContact OE1-CB 3.43Å; E467-P507 WeakPolarHBondContact OE1-CG 3.48Å; G484-P507 CarbonylContact O-C 3.52Å; G484-P507 VanDerWaalsContact O-CA 3.29Å; G484-P507 WeakPolarHBondContact O-CA 3.04Å; P507-S524 PolarHBondContact O-OG 3.19Å; P507-S524 VanDerWaalsContact O-OG 3.04Å; P507-R525 PolarHBondContact O-N 3.32Å
508	A	97.2	Very high	94.6	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.008	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	128	172.4	0	0	0	0	0	109.8	C469 A483 G484 V487 A506 A523	C469-A508 WeakPolarHBondContact CB-O 3.39Å; A483-A508 HydrophobicContact CB-CB 3.92Å; G484-A508 PolarHBondContact N-O 3.16Å; G484-A508 PolarHBondContact O-N 3.01Å; V487-A508 HydrophobicContact CG2-CB 3.51Å; A506-A508 PolarHBondContact O-N 3.31Å; A508-A523 CarbonylContact C-O 3.59Å; A508-A523 WeakPolarHBondContact CA-O 3.47Å
509	T	97.4	Very high	94.6	Very high	9 Å²	9	35.3 Å²	35.3	6%	0.055	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-13.6	-174.9	56.7	0	0	0	0	113.4	I245 N246 A523 R525	I245-T509 WeakPolarHBondContact O-CG2 3.15Å; I245-T509 PolarHBondContact O-OG1 2.95Å; N246-T509 WeakPolarHBondContact O-CB 3.49Å; T509-A523 PolarHBondContact N-O 3Å; T509-A523 PolarHBondContact OG1-O 2.84Å; T509-R525 HydrophobicContact CG2-CG 3.47Å; T509-R525 VanDerWaalsContact CG2-CG 3.47Å
510	G	96.9	Very high	94.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	145.9	177.8	0	0	0	0	0	110.7	D470 S522 A523	D470-G510 WeakPolarHBondContact OD2-CA 3.42Å; G510-S522 VanDerWaalsContact O-CA 3.28Å; G510-S522 WeakPolarHBondContact O-CA 3.29Å; G510-A523 PolarHBondContact N-O 3.22Å; G510-A523 PolarHBondContact O-N 3.28Å
511	V	97.9	Very high	94.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	133.8	174.2	59.6	0	0	0	0	110.3	D470 A481 A483 V487 V520 I521	D470-V511 PolarHBondContact OD2-N 2.84Å; A481-V511 HydrophobicContact CB-CB 4.38Å; A481-V511 HydrophobicContact CB-CG1 3.8Å; A481-V511 HydrophobicContact CB-CG2 3.64Å; A483-V511 HydrophobicContact CB-CB 3.84Å; A483-V511 HydrophobicContact CB-CG1 3.64Å; V487-V511 HydrophobicContact CG1-CB 4.48Å; V487-V511 HydrophobicContact CG1-CG2 3.89Å; V511-V520 HydrophobicContact CG2-CG1 3.55Å; V511-I521 CarbonylContact C-O 3.58Å; V511-I521 VanDerWaalsContact CA-O 3.3Å; V511-I521 WeakPolarHBondContact CA-O 3.43Å
512	R	97.5	Very high	95.1	Very high	28 Å²	28	31.9 Å²	31.9	11%	0.106	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	144	174.5	-65.2	-65.4	178.1	-94.2	-2.1	112.4	L248 D249 I250 D470 E472 I521	L248-R512 HydrophobicContact CG-CG 4.43Å; L248-R512 PolarHBondContact O-NH2 3.03Å; D249-R512 IonicContact OD1-CZ 3.71Å; D249-R512 IonicContact OD1-NE 2.86Å; D249-R512 PolarHBondContact OD1-NE 2.9Å; I250-R512 HydrophobicContact CB-CB 4.29Å; I250-R512 HydrophobicContact CG2-CB 3.81Å; I250-R512 HydrophobicContact CG2-CG 4.06Å; D470-R512 IonicContact OD1-NH1 3.56Å; D470-R512 IonicContact OD2-CZ 3.64Å; D470-R512 IonicContact OD2-NH1 3.15Å; D470-R512 PolarHBondContact OD2-NH1 3.02Å; D470-R512 IonicContact OD2-NH2 3.24Å; E472-R512 VanDerWaalsContact OE1-CD 3.29Å; E472-R512 WeakPolarHBondContact OE1-CD 3.19Å; E472-R512 IonicContact OE1-NE 2.93Å; E472-R512 WeakPolarHBondContact OE2-CA 3.11Å; E472-R512 WeakPolarHBondContact OE2-CD 2.98Å; R512-I521 PolarHBondContact N-O 3.46Å; R512-I521 PolarHBondContact O-N 3.21Å
513	F	96.6	Very high	95.4	Very high	8 Å²	8	26.5 Å²	26.5	4%	0.035	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	134.5	167.4	-72.3	-79.7	0	0	0	110.8	E472 D474 A481 V489 A517 V520	E472-F513 WeakPolarHBondContact O-CE2 3.45Å; E472-F513 PolarHBondContact OE2-N 2.82Å; D474-F513 HydrophobicContact CB-CB 4.27Å; D474-F513 HydrophobicContact CB-CD1 4.25Å; D474-F513 HydrophobicContact CB-CD2 3.63Å; D474-F513 HydrophobicContact CB-CE2 3.91Å; D474-F513 HydrophobicContact CB-CG 3.79Å; D474-F513 HydrophobicContact CB-CZ 4.35Å; A481-F513 HydrophobicContact CB-CD2 4.28Å; A481-F513 HydrophobicContact CB-CE1 4.45Å; A481-F513 HydrophobicContact CB-CE2 3.45Å; A481-F513 VanDerWaalsContact CB-CE2 3.45Å; A481-F513 HydrophobicContact CB-CZ 3.56Å; V489-F513 HydrophobicContact CG1-CE1 4.16Å; V489-F513 HydrophobicContact CG1-CZ 4.01Å; F513-A517 HydrophobicContact CD1-CB 3.74Å; F513-A517 HydrophobicContact CE1-CB 4.24Å; F513-A517 HydrophobicContact CG-CB 4.47Å; F513-V520 HydrophobicContact CD1-CG2 3.77Å; F513-V520 HydrophobicContact CE1-CG2 3.72Å
514	G	93.4	Very high	95.7	Very high	4 Å²	4	25 Å²	25	4%	0.041	14%	0.142	C	C	.	.			trans	-70.7	-176.7	163.8	0	0	0	0	0	111.9	N516 A517 T519	G514-N516 PolarHBondContact O-N 3.28Å; G514-A517 PolarHBondContact O-N 2.82Å; G514-A517 VanDerWaalsContact O-N 3.13Å; G514-T519 PolarHBondContact N-O 3.3Å
515	E	91.2	Very high	95.8	Very high	112 Å²	112	29 Å²	29	52%	0.523	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-56.5	132.1	179.6	-172.2	175.8	179.9	0	0	111.2	P255 A517 T518	P255-E515 HydrophobicContact CB-CB 4.45Å; P255-E515 HydrophobicContact CG-CB 4.25Å; E515-A517 PolarHBondContact O-N 3.48Å; E515-T518 WeakPolarHBondContact O-CB 3.44Å; E515-T518 WeakPolarHBondContact O-CG2 3.42Å; E515-T518 PolarHBondContact O-N 2.88Å; E515-T518 PolarHBondContact O-OG1 3.2Å
516	N	91.7	Very high	95.8	Very high	43 Å²	43	24.2 Å²	24.2	23%	0.23	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	52.8	29	179.4	-70	-38	0	0	0	114	A220 G514 T518	A220-N516 PolarHBondContact N-O 3.37Å; G514-N516 PolarHBondContact O-N 3.28Å; N516-T518 HydrophobicContact CB-CG2 4.22Å; N516-T518 PolarHBondContact O-N 3.29Å
517	A	93.8	Very high	95.8	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.008	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	54	21.2	-175.8	0	0	0	0	0	113.8	L219 A220 Y228 D474 Y479 F513 G514 E515 T519	L219-A517 HydrophobicContact CD1-CB 4.24Å; A220-A517 WeakPolarHBondContact CB-O 3.39Å; Y228-A517 PolarHBondContact OH-O 2.93Å; D474-A517 HydrophobicContact CB-CB 4.37Å; Y479-A517 HydrophobicContact CD2-CB 3.94Å; Y479-A517 HydrophobicContact CE2-CB 4.28Å; F513-A517 HydrophobicContact CD1-CB 3.74Å; F513-A517 HydrophobicContact CE1-CB 4.24Å; F513-A517 HydrophobicContact CG-CB 4.47Å; G514-A517 PolarHBondContact O-N 2.82Å; G514-A517 VanDerWaalsContact O-N 3.13Å; E515-A517 PolarHBondContact O-N 3.48Å; A517-T519 PolarHBondContact O-N 2.79Å
518	T	93.5	Very high	95.9	Very high	64 Å²	64	25.5 Å²	25.5	39%	0.393	12%	0.122	S	C	.	.	S	Bend	trans	-66.3	-28.1	-179.7	54.1	0	0	0	0	112.7	Y228 E515 N516	Y228-T518 WeakPolarHBondContact OH-CA 3.28Å; Y228-T518 PolarHBondContact OH-O 3.22Å; Y228-T518 VanDerWaalsContact OH-O 3.07Å; E515-T518 WeakPolarHBondContact O-CB 3.44Å; E515-T518 WeakPolarHBondContact O-CG2 3.42Å; E515-T518 PolarHBondContact O-N 2.88Å; E515-T518 PolarHBondContact O-OG1 3.2Å; N516-T518 HydrophobicContact CB-CG2 4.22Å; N516-T518 PolarHBondContact O-N 3.29Å
519	T	95.6	Very high	96	Very high	35 Å²	35	25.5 Å²	25.5	22%	0.215	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	156.1	171.9	61.1	0	0	0	0	111	L231 G514 A517 V531 F532	L231-T519 HydrophobicContact CD1-CG2 4.47Å; G514-T519 PolarHBondContact N-O 3.3Å; A517-T519 PolarHBondContact O-N 2.79Å; T519-V531 HydrophobicContact CG2-CG1 4.15Å; T519-F532 CarbonylContact C-O 3.51Å; T519-F532 WeakPolarHBondContact CA-O 3.23Å; T519-F532 WeakPolarHBondContact CB-O 3.21Å
520	V	97.7	Very high	96	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	125.7	168.3	176.4	0	0	0	0	107.2	Y228 V487 V489 V511 F513 F532	Y228-V520 HydrophobicContact CD2-CG2 4.35Å; Y228-V520 HydrophobicContact CE2-CG2 4.21Å; V487-V520 HydrophobicContact CG1-CG1 4.38Å; V489-V520 HydrophobicContact CG2-CG2 4.18Å; V511-V520 HydrophobicContact CG2-CG1 3.55Å; F513-V520 HydrophobicContact CD1-CG2 3.77Å; F513-V520 HydrophobicContact CE1-CG2 3.72Å; V520-F532 HydrophobicContact CB-CB 4.43Å; V520-F532 HydrophobicContact CB-CD2 4.49Å; V520-F532 HydrophobicContact CG1-CD2 4.48Å; V520-F532 PolarHBondContact N-O 3.24Å; V520-F532 WeakPolarHBondContact O-CD2 3.4Å; V520-F532 PolarHBondContact O-N 3.28Å
521	I	97.7	Very high	96	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.01	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	130.6	-179.2	-55.6	157.3	0	0	0	107.6	L248 I250 I258 L272 V511 R512 V529 K530 V531	L248-I521 HydrophobicContact CD2-CB 4.35Å; L248-I521 HydrophobicContact CD2-CG2 3.85Å; I250-I521 HydrophobicContact CD1-CD1 3.58Å; I258-I521 HydrophobicContact CG2-CD1 4.16Å; L272-I521 HydrophobicContact CD1-CD1 3.59Å; L272-I521 HydrophobicContact CD1-CG1 4.2Å; V511-I521 CarbonylContact C-O 3.58Å; V511-I521 VanDerWaalsContact CA-O 3.3Å; V511-I521 WeakPolarHBondContact CA-O 3.43Å; R512-I521 PolarHBondContact N-O 3.46Å; R512-I521 PolarHBondContact O-N 3.21Å; I521-V529 HydrophobicContact CG2-CG1 3.6Å; I521-K530 CarbonylContact C-O 3.55Å; I521-K530 WeakPolarHBondContact CA-O 3.42Å; I521-V531 HydrophobicContact CG1-CG1 4.21Å; I521-V531 HydrophobicContact CG1-CG2 4.25Å; I521-V531 HydrophobicContact CG2-CG2 4.49Å
522	S	98.2	Very high	96	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	148.9	176.9	64	0	0	0	0	111.9	H504 G510 V529 K530 F532	H504-S522 PolarHBondContact NE2-OG 3.3Å; G510-S522 VanDerWaalsContact O-CA 3.28Å; G510-S522 WeakPolarHBondContact O-CA 3.29Å; S522-V529 CarbonylContact O-C 3.59Å; S522-V529 VanDerWaalsContact O-CA 3.24Å; S522-V529 WeakPolarHBondContact O-CA 3.39Å; S522-K530 PolarHBondContact N-O 2.65Å; S522-K530 PolarHBondContact O-N 3.23Å; S522-F532 VanDerWaalsContact OG-CE2 3.29Å; S522-F532 WeakPolarHBondContact OG-CE2 3.22Å
523	A	98	Very high	95.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	150.2	172.2	0	0	0	0	0	110.6	I245 L248 A508 T509 G510 S528 V529	I245-A523 HydrophobicContact CB-CB 4.21Å; I245-A523 HydrophobicContact CD1-CB 4.24Å; I245-A523 HydrophobicContact CG2-CB 3.66Å; L248-A523 HydrophobicContact CB-CB 3.83Å; L248-A523 HydrophobicContact CD2-CB 4.16Å; L248-A523 HydrophobicContact CG-CB 4.43Å; A508-A523 CarbonylContact C-O 3.59Å; A508-A523 WeakPolarHBondContact CA-O 3.47Å; T509-A523 PolarHBondContact N-O 3Å; T509-A523 PolarHBondContact OG1-O 2.84Å; G510-A523 PolarHBondContact N-O 3.22Å; G510-A523 PolarHBondContact O-N 3.28Å; A523-S528 WeakPolarHBondContact CA-O 3.42Å; A523-V529 HydrophobicContact CB-CG2 4.09Å
524	S	97.8	Very high	95.4	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	161.2	-176.2	168.7	0	0	0	0	113.6	I245 H504 A506 P507 D526 R527 S528	I245-S524 WeakPolarHBondContact CB-O 3.36Å; I245-S524 PolarHBondContact N-O 2.92Å; H504-S524 VanDerWaalsContact CG-CB 3.48Å; H504-S524 WeakPolarHBondContact ND1-CB 3.41Å; A506-S524 PolarHBondContact O-OG 2.88Å; P507-S524 PolarHBondContact O-OG 3.19Å; P507-S524 VanDerWaalsContact O-OG 3.04Å; S524-D526 VanDerWaalsContact CB-OD1 3.26Å; S524-D526 WeakPolarHBondContact CB-OD1 3.28Å; S524-D526 PolarHBondContact O-N 3.29Å; S524-D526 VanDerWaalsContact O-N 3.12Å; S524-D526 VanDerWaalsContact OG-CG 3.28Å; S524-D526 PolarHBondContact OG-N 3.49Å; S524-D526 VanDerWaalsContact OG-N 3.15Å; S524-D526 PolarHBondContact OG-OD1 3.35Å; S524-R527 PolarHBondContact O-N 2.8Å; S524-R527 VanDerWaalsContact O-N 3.08Å; S524-S528 PolarHBondContact N-O 2.55Å; S524-S528 VanDerWaalsContact N-O 3.12Å
525	R	96.2	Very high	95.5	Very high	108 Å²	108	32.4 Å²	32.4	41%	0.408	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-14.5	169.7	-61.9	-172.8	-178	135.1	5.1	113.1	G244 E467 A506 P507 T509 R527	G244-R525 VanDerWaalsContact CA-O 3.3Å; G244-R525 WeakPolarHBondContact CA-O 3.33Å; E467-R525 IonicContact OE1-CZ 3.7Å; E467-R525 IonicContact OE1-NH1 3.51Å; E467-R525 PolarHBondContact OE1-NH1 3.46Å; E467-R525 IonicContact OE1-NH2 3.47Å; E467-R525 IonicContact OE2-NH1 2.93Å; A506-R525 HydrophobicContact CB-CB 4.02Å; P507-R525 PolarHBondContact O-N 3.32Å; T509-R525 HydrophobicContact CG2-CG 3.47Å; T509-R525 VanDerWaalsContact CG2-CG 3.47Å; R525-R527 PolarHBondContact O-N 3.49Å
526	D	95.2	Very high	95.7	Very high	33 Å²	33	28.2 Å²	28.2	18%	0.176	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	0.2	173.2	68.8	12.6	0	0	0	114.1	H504 T505 A506 S524 S528	H504-D526 WeakPolarHBondContact CA-OD2 3.25Å; H504-D526 WeakPolarHBondContact CB-OD2 3.45Å; H504-D526 IonicContact CG-OD2 3.22Å; H504-D526 IonicContact ND1-OD1 3.71Å; H504-D526 IonicContact ND1-OD2 3.87Å; H504-D526 PolarHBondContact ND1-OD2 3.3Å; H504-D526 VanDerWaalsContact ND1-OD2 3.11Å; T505-D526 PolarHBondContact N-OD2 3.47Å; T505-D526 VanDerWaalsContact OG1-CB 3.29Å; T505-D526 WeakPolarHBondContact OG1-CB 3.28Å; A506-D526 HydrophobicContact CB-CB 3.92Å; S524-D526 VanDerWaalsContact CB-OD1 3.26Å; S524-D526 WeakPolarHBondContact CB-OD1 3.28Å; S524-D526 PolarHBondContact O-N 3.29Å; S524-D526 VanDerWaalsContact O-N 3.12Å; S524-D526 VanDerWaalsContact OG-CG 3.28Å; S524-D526 PolarHBondContact OG-N 3.49Å; S524-D526 VanDerWaalsContact OG-N 3.15Å; S524-D526 PolarHBondContact OG-OD1 3.35Å; D526-S528 VanDerWaalsContact C-N 3.31Å; D526-S528 VanDerWaalsContact OD1-CB 3.31Å; D526-S528 WeakPolarHBondContact OD1-CB 3.07Å; D526-S528 PolarHBondContact OD1-N 2.73Å; D526-S528 PolarHBondContact OD1-OG 3.08Å; D526-S528 PolarHBondContact OD2-OG 2.84Å
527	R	94.8	Very high	95.9	Very high	84 Å²	84	27.3 Å²	27.3	32%	0.317	14%	0.14	S	C	.	.	S	Bend	trans	73	12.4	-176.3	-50.2	176.4	-66.7	-151.8	12.2	115.2	A240 P243 S524 R525	A240-R527 PolarHBondContact O-NH1 2.82Å; P243-R527 HydrophobicContact CB-CG 3.7Å; S524-R527 PolarHBondContact O-N 2.8Å; S524-R527 VanDerWaalsContact O-N 3.08Å; R525-R527 PolarHBondContact O-N 3.49Å
528	S	96.5	Very high	96	Very high	4 Å²	4	28.9 Å²	28.9	3%	0.028	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	144.3	176.5	68.3	0	0	0	0	111.8	H234 H504 A523 S524 D526 K530	H234-S528 CarbonylContact O-C 3.59Å; H234-S528 VanDerWaalsContact O-CA 3.3Å; H234-S528 WeakPolarHBondContact O-CA 3.29Å; H504-S528 PolarHBondContact CE1-OG 3.27Å; H504-S528 PolarHBondContact ND1-OG 3.22Å; A523-S528 WeakPolarHBondContact CA-O 3.42Å; S524-S528 PolarHBondContact N-O 2.55Å; S524-S528 VanDerWaalsContact N-O 3.12Å; D526-S528 VanDerWaalsContact C-N 3.31Å; D526-S528 VanDerWaalsContact OD1-CB 3.31Å; D526-S528 WeakPolarHBondContact OD1-CB 3.07Å; D526-S528 PolarHBondContact OD1-N 2.73Å; D526-S528 PolarHBondContact OD1-OG 3.08Å; D526-S528 PolarHBondContact OD2-OG 2.84Å; S528-K530 WeakPolarHBondContact OG-CE 3.39Å
529	V	97.9	Very high	96.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.2	159	176.7	0	0	0	0	107.5	H234 L237 I245 I258 T260 I521 S522 A523	H234-V529 HydrophobicContact CB-CB 4.44Å; H234-V529 PolarHBondContact N-O 3.43Å; H234-V529 PolarHBondContact O-N 2.92Å; L237-V529 HydrophobicContact CD1-CB 4.24Å; L237-V529 HydrophobicContact CD1-CG2 3.58Å; I245-V529 HydrophobicContact CD1-CG2 3.75Å; I258-V529 HydrophobicContact CD1-CB 4.4Å; I258-V529 HydrophobicContact CD1-CG1 3.69Å; I258-V529 HydrophobicContact CD1-CG2 4.23Å; T260-V529 HydrophobicContact CG2-CG2 3.71Å; I521-V529 HydrophobicContact CG2-CG1 3.6Å; S522-V529 CarbonylContact O-C 3.59Å; S522-V529 VanDerWaalsContact O-CA 3.24Å; S522-V529 WeakPolarHBondContact O-CA 3.39Å; A523-V529 HydrophobicContact CB-CG2 4.09Å
530	K	97.6	Very high	96.2	Very high	14 Å²	14	26.1 Å²	26.1	6%	0.061	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	143.4	-179.9	-67.4	176.5	-175	-75	0	109.8	A232 N233 A503 H504 I521 S522 S528 F532	A232-K530 WeakPolarHBondContact O-CA 3.37Å; N233-K530 PolarHBondContact OD1-NZ 3.14Å; A503-K530 HydrophobicContact CB-CD 3.75Å; A503-K530 WeakPolarHBondContact O-CE 3.49Å; A503-K530 PolarHBondContact O-NZ 2.78Å; H504-K530 VanDerWaalsContact CE1-CD 3.44Å; H504-K530 WeakPolarHBondContact CE1-CD 3.41Å; H504-K530 WeakPolarHBondContact ND1-CE 3.36Å; I521-K530 CarbonylContact C-O 3.55Å; I521-K530 WeakPolarHBondContact CA-O 3.42Å; S522-K530 PolarHBondContact N-O 2.65Å; S522-K530 PolarHBondContact O-N 3.23Å; S528-K530 WeakPolarHBondContact OG-CE 3.39Å; K530-F532 HydrophobicContact CB-CE1 4.41Å; K530-F532 HydrophobicContact CB-CE2 4.01Å; K530-F532 HydrophobicContact CB-CZ 3.77Å; K530-F532 HydrophobicContact CD-CZ 4.08Å
531	V	97.5	Very high	96.1	Very high	13 Å²	13	28 Å²	28	8%	0.079	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.8	175.4	-172.5	0	0	0	0	107.6	Q230 L231 A232 L272 T519 I521	Q230-V531 CarbonylContact C-O 3.55Å; L231-V531 PolarHBondContact N-O 3.04Å; A232-V531 HydrophobicContact CB-CB 4.15Å; A232-V531 HydrophobicContact CB-CG2 4.17Å; A232-V531 PolarHBondContact N-O 3.14Å; A232-V531 PolarHBondContact O-N 3.47Å; A232-V531 VanDerWaalsContact O-N 3.11Å; L272-V531 HydrophobicContact CD1-CG2 4.19Å; L272-V531 HydrophobicContact CD2-CG2 3.9Å; T519-V531 HydrophobicContact CG2-CG1 4.15Å; I521-V531 HydrophobicContact CG1-CG1 4.21Å; I521-V531 HydrophobicContact CG1-CG2 4.25Å; I521-V531 HydrophobicContact CG2-CG2 4.49Å
532	F	97.1	Very high	96	Very high	3 Å²	3	30 Å²	30	1%	0.013	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	142.6	175.7	-50.7	-79.6	0	0	0	110	Q229 Q230 F501 A503 T519 V520 S522 K530	Q229-F532 CarbonylContact O-C 3.47Å; Q229-F532 WeakPolarHBondContact O-CA 3.37Å; Q230-F532 HydrophobicContact CB-CD1 3.93Å; Q230-F532 HydrophobicContact CB-CE1 3.88Å; Q230-F532 HydrophobicContact CG-CD1 4.24Å; Q230-F532 HydrophobicContact CG-CE1 3.94Å; F501-F532 HydrophobicContact CB-CD1 4.43Å; F501-F532 HydrophobicContact CB-CE1 3.9Å; F501-F532 HydrophobicContact CB-CE2 4.18Å; F501-F532 HydrophobicContact CB-CZ 3.76Å; F501-F532 HydrophobicContact CD1-CB 4.42Å; F501-F532 AromaticContact CD1-CD1 3.47Å; F501-F532 HydrophobicContact CD1-CD1 3.47Å; F501-F532 VanDerWaalsContact CD1-CD1 3.47Å; F501-F532 HydrophobicContact CD1-CD2 4.44Å; F501-F532 AromaticContact CD1-CE1 3.75Å; F501-F532 HydrophobicContact CD1-CE1 3.75Å; F501-F532 AromaticContact CD1-CG 3.87Å; F501-F532 HydrophobicContact CD1-CG 3.87Å; F501-F532 HydrophobicContact CD1-CZ 4.34Å; F501-F532 HydrophobicContact CD2-CD1 4.46Å; F501-F532 HydrophobicContact CD2-CD2 4Å; F501-F532 HydrophobicContact CD2-CE2 4.17Å; F501-F532 HydrophobicContact CD2-CG 4.15Å; F501-F532 HydrophobicContact CE1-CB 3.84Å; F501-F532 AromaticContact CE1-CD1 3.69Å; F501-F532 HydrophobicContact CE1-CD1 3.69Å; F501-F532 HydrophobicContact CE1-CE1 4.43Å; F501-F532 AromaticContact CE1-CG 3.79Å; F501-F532 HydrophobicContact CE1-CG 3.79Å; F501-F532 HydrophobicContact CE2-CB 4.16Å; F501-F532 HydrophobicContact CE2-CD2 4.14Å; F501-F532 HydrophobicContact CE2-CG 4.08Å; F501-F532 AromaticContact CG-CD1 3.89Å; F501-F532 HydrophobicContact CG-CD1 3.89Å; F501-F532 HydrophobicContact CG-CD2 4.15Å; F501-F532 AromaticContact CG-CE1 3.87Å; F501-F532 HydrophobicContact CG-CE1 3.87Å; F501-F532 HydrophobicContact CG-CE2 4.1Å; F501-F532 HydrophobicContact CG-CG 4.04Å; F501-F532 AromaticContact CG-CZ 3.98Å; F501-F532 HydrophobicContact CG-CZ 3.98Å; F501-F532 HydrophobicContact CZ-CB 3.68Å; F501-F532 HydrophobicContact CZ-CD1 4.28Å; F501-F532 HydrophobicContact CZ-CD2 4.42Å; F501-F532 AromaticContact CZ-CG 3.89Å; F501-F532 HydrophobicContact CZ-CG 3.89Å; A503-F532 HydrophobicContact CB-CE1 3.87Å; A503-F532 HydrophobicContact CB-CZ 3.97Å; T519-F532 CarbonylContact C-O 3.51Å; T519-F532 WeakPolarHBondContact CA-O 3.23Å; T519-F532 WeakPolarHBondContact CB-O 3.21Å; V520-F532 HydrophobicContact CB-CB 4.43Å; V520-F532 HydrophobicContact CB-CD2 4.49Å; V520-F532 HydrophobicContact CG1-CD2 4.48Å; V520-F532 PolarHBondContact N-O 3.24Å; V520-F532 WeakPolarHBondContact O-CD2 3.4Å; V520-F532 PolarHBondContact O-N 3.28Å; S522-F532 VanDerWaalsContact OG-CE2 3.29Å; S522-F532 WeakPolarHBondContact OG-CE2 3.22Å; K530-F532 HydrophobicContact CB-CE1 4.41Å; K530-F532 HydrophobicContact CB-CE2 4.01Å; K530-F532 HydrophobicContact CB-CZ 3.77Å; K530-F532 HydrophobicContact CD-CZ 4.08Å
533	G	94.9	Very high	95.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.7	-174	178.9	0	0	0	0	0	110.2	Y228 Q229	Y228-G533 WeakPolarHBondContact CA-O 3.27Å; Y228-G533 VanDerWaalsContact CD1-C 3.49Å; Q229-G533 PolarHBondContact N-O 3.06Å; Q229-G533 PolarHBondContact O-N 3.45Å
534	T	86.5	Confident	95.6	Very high	131 Å²	131	35.5 Å²	35.5	80%	0.804	17%	0.171	S	C	*	.			trans	-100	0	171.8	48.3	0	0	0	0	112.4	A224 E227 Y228	A224-T534 HydrophobicContact CB-CG2 4.43Å; A224-T534 WeakPolarHBondContact O-CG2 3.09Å; E227-T534 HydrophobicContact CB-CG2 4.44Å; Y228-T534 HydrophobicContact CD1-CG2 3.59Å; Y228-T534 HydrophobicContact CE1-CG2 3.78Å

Retrieved 534 of 534 residues in 497.9 ms (Link to these results)

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