A0A087YKS1_POEFO Loading...

PDZ and LIM domain 5a

AlphaFold DB , UniProt , Accession A0A087YKS1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 574 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	46.1	Very low	85.1	Confident	248 Å²	248	74.2 Å²	74.2	100%	1.222	44%	0.436	S	S	*	.				0	118.3	0	-71.9	171	163.9	0	0	107.5
2	S	63.3	Low	85.2	Confident	58 Å²	58	74.8 Å²	74.8	41%	0.406	44%	0.444	S	S	.	.			trans	-73.2	126.8	170.1	-58.2	0	0	0	0	108.5	N4 Q83	S2-N4 PolarHBondContact O-N 3.11Å; S2-Q83 VanDerWaalsContact CB-NE2 3.33Å; S2-Q83 PolarHBondContact OG-NE2 3.11Å
3	G	84.3	Confident	85.1	Confident	39 Å²	39	73.3 Å²	73.3	40%	0.402	45%	0.445	S	S	.	.			trans	-81.1	114.2	177.4	0	0	0	0	0	110.5	K84	G3-K84 PolarHBondContact O-N 3.33Å
4	N	92.9	Very high	85.4	Confident	100 Å²	100	76.1 Å²	76.1	54%	0.535	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	139.3	165.4	-65.3	0.2	0	0	0	108.7	S2 L52 L82 Q83	S2-N4 PolarHBondContact O-N 3.11Å; N4-L52 WeakPolarHBondContact ND2-CD1 3.34Å; N4-L82 CarbonylContact C-O 3.59Å; N4-L82 VanDerWaalsContact CA-O 3.31Å; N4-L82 WeakPolarHBondContact CA-O 3.21Å; N4-Q83 WeakPolarHBondContact OD1-CB 3.41Å; N4-Q83 WeakPolarHBondContact OD1-CG 3.42Å
5	Y	94.6	Very high	85.9	Confident	49 Å²	49	71.9 Å²	71.9	19%	0.192	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	155.8	178.4	72.6	-75.5	0	0	0	110.1	G44 V45 D49 L82 K84	Y5-G44 PolarHBondContact OH-O 2.96Å; Y5-V45 WeakPolarHBondContact OH-CA 3.36Å; Y5-D49 PolarHBondContact OH-OD2 3.08Å; Y5-L82 HydrophobicContact CD1-CB 4.08Å; Y5-L82 WeakPolarHBondContact CD1-O 3.36Å; Y5-L82 HydrophobicContact CE1-CB 3.56Å; Y5-L82 HydrophobicContact CE1-CD1 4.45Å; Y5-L82 HydrophobicContact CE2-CB 4.38Å; Y5-L82 HydrophobicContact CE2-CD1 4.05Å; Y5-L82 PolarHBondContact N-O 3.01Å; Y5-L82 PolarHBondContact O-N 3.31Å; Y5-L82 VanDerWaalsContact O-O 3.12Å; Y5-L82 WeakPolarHBondContact OH-CD1 3.35Å; Y5-K84 HydrophobicContact CD1-CD 4.41Å; Y5-K84 HydrophobicContact CD1-CG 3.68Å; Y5-K84 HydrophobicContact CE1-CD 4.37Å; Y5-K84 HydrophobicContact CE1-CG 3.48Å; Y5-K84 VanDerWaalsContact CE1-CG 3.48Å
6	S	93.3	Very high	86.2	Confident	83 Å²	83	68.2 Å²	68.2	58%	0.58	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.2	144.7	176.6	-55.8	0	0	0	0	110.4	L80 T81	S6-L80 CarbonylContact C-O 3.4Å; S6-L80 VanDerWaalsContact CA-O 3.26Å; S6-L80 WeakPolarHBondContact CA-O 3.48Å; S6-T81 PolarHBondContact OG-OG1 3.05Å; S6-T81 VanDerWaalsContact OG-OG1 3.07Å
7	V	94.7	Very high	86.7	Confident	13 Å²	13	65.9 Å²	65.9	8%	0.079	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	136.6	-178.6	60.4	0	0	0	0	109.8	L9 G43 V45 S79 L80 L82	V7-L9 HydrophobicContact CG2-CD2 3.76Å; V7-G43 VanDerWaalsContact CG2-O 3.26Å; V7-G43 WeakPolarHBondContact CG2-O 3.45Å; V7-V45 HydrophobicContact CG1-CG2 3.97Å; V7-S79 WeakPolarHBondContact O-CA 3.45Å; V7-L80 HydrophobicContact CG1-CB 3.93Å; V7-L80 PolarHBondContact N-O 3.02Å; V7-L80 PolarHBondContact O-N 3.3Å; V7-L82 HydrophobicContact CG1-CD1 3.65Å
8	T	94.8	Very high	87.1	Confident	78 Å²	78	67.2 Å²	67.2	48%	0.479	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	112.2	174.7	-52.7	0	0	0	0	109.3	L10 N77 L78	T8-L10 HydrophobicContact CG2-CD2 4.11Å; T8-N77 HydrophobicContact CG2-CB 4.24Å; T8-L78 CarbonylContact C-O 3.59Å; T8-L78 WeakPolarHBondContact CA-O 3.14Å
9	L	93.4	Very high	87.5	Confident	5 Å²	5	65.1 Å²	65.1	3%	0.026	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	133.5	175	-52.5	-174.3	0	0	0	109.4	V7 W15 F17 K39 A40 N77 L78	V7-L9 HydrophobicContact CG2-CD2 3.76Å; L9-W15 HydrophobicContact CB-CE3 3.62Å; L9-W15 HydrophobicContact CB-CZ3 3.67Å; L9-W15 HydrophobicContact CD1-CB 4.25Å; L9-W15 HydrophobicContact CD1-CE3 4.05Å; L9-W15 HydrophobicContact CG-CE3 4.49Å; L9-F17 HydrophobicContact CD1-CE1 4.45Å; L9-K39 HydrophobicContact CD1-CB 4.39Å; L9-K39 WeakPolarHBondContact CD2-O 3.41Å; L9-A40 HydrophobicContact CD1-CB 4.03Å; L9-N77 CarbonylContact O-C 3.57Å; L9-N77 VanDerWaalsContact O-CA 3.31Å; L9-N77 WeakPolarHBondContact O-CA 3.25Å; L9-L78 HydrophobicContact CB-CB 4.47Å; L9-L78 HydrophobicContact CD1-CD2 4.38Å; L9-L78 PolarHBondContact N-O 2.78Å; L9-L78 PolarHBondContact O-N 3.43Å
10	L	91.1	Very high	87.9	Confident	117 Å²	117	66.5 Å²	66.5	61%	0.613	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	143.9	-171.3	-60.1	178.5	0	0	0	113.2	T8 K39	T8-L10 HydrophobicContact CG2-CD2 4.11Å; L10-K39 PolarHBondContact O-NZ 2.82Å
11	G	87.2	Confident	88.2	Confident	26 Å²	26	63.5 Å²	63.5	27%	0.268	37%	0.37	S	S	.	.	S	Bend	trans	73.8	166	-176.5	0	0	0	0	0	113.3	W15 K39 G76	G11-W15 WeakPolarHBondContact O-CH2 3.49Å; G11-W15 WeakPolarHBondContact O-CZ3 3.49Å; G11-K39 PolarHBondContact O-NZ 2.85Å; G11-G76 CarbonylContact C-O 3.58Å; G11-G76 WeakPolarHBondContact CA-O 3.24Å; G11-G76 PolarHBondContact N-O 3.28Å
12	P	87.3	Confident	90.5	Very high	82 Å²	82	51.7 Å²	51.7	53%	0.532	31%	0.313	S	S	.	.	S	Bend	trans	-60.4	164.4	-171.3	24.6	-36.2	0	0	0	115.2	K39 T75	P12-K39 PolarHBondContact O-NZ 3.38Å; P12-T75 VanDerWaalsContact CA-O 3.26Å; P12-T75 WeakPolarHBondContact CA-O 3.39Å; P12-T75 WeakPolarHBondContact CB-O 3.32Å
13	A	83.6	Confident	91.9	Very high	55 Å²	55	55.1 Å²	55.1	46%	0.455	32%	0.32	S	S	.	.	S	Bend	trans	-51.4	151.5	167.9	0	0	0	0	0	112.1
14	P	89.3	Confident	92.4	Very high	112 Å²	112	56.8 Å²	56.8	73%	0.727	32%	0.32	S	S	*	.	P	Polyproline II helix	cis	-79	147.1	9.5	31.3	-36.2	0	0	0	114.6
15	W	92.1	Very high	92.4	Very high	13 Å²	13	58 Å²	58	5%	0.049	32%	0.321	C	S	.	.			trans	-87	-16.1	-179	-57.1	116.8	0	0	0	114.3	L9 G11 F17 K39 A40 I71 C74 L78	L9-W15 HydrophobicContact CB-CE3 3.62Å; L9-W15 HydrophobicContact CB-CZ3 3.67Å; L9-W15 HydrophobicContact CD1-CB 4.25Å; L9-W15 HydrophobicContact CD1-CE3 4.05Å; L9-W15 HydrophobicContact CG-CE3 4.49Å; G11-W15 WeakPolarHBondContact O-CH2 3.49Å; G11-W15 WeakPolarHBondContact O-CZ3 3.49Å; W15-F17 HydrophobicContact CB-CD1 3.64Å; W15-F17 HydrophobicContact CB-CE1 3.5Å; W15-F17 VanDerWaalsContact CB-CE1 3.5Å; W15-F17 HydrophobicContact CG-CE1 4.2Å; W15-K39 HydrophobicContact CE3-CD 4.04Å; W15-K39 HydrophobicContact CZ3-CD 4.31Å; W15-K39 WeakPolarHBondContact O-CB 3.35Å; W15-A40 WeakPolarHBondContact O-CB 3.1Å; W15-A40 PolarHBondContact O-N 3.08Å; W15-I71 PolarHBondContact NE1-O 2.8Å; W15-C74 HydrophobicContact CZ2-CB 3.71Å; W15-C74 WeakPolarHBondContact CZ2-O 3.38Å; W15-L78 HydrophobicContact CB-CD2 4.33Å; W15-L78 HydrophobicContact CD2-CB 3.96Å; W15-L78 HydrophobicContact CD2-CD2 3.66Å; W15-L78 HydrophobicContact CD2-CG 4.47Å; W15-L78 HydrophobicContact CE3-CB 3.97Å; W15-L78 HydrophobicContact CE3-CD2 4.23Å; W15-L78 HydrophobicContact CG-CD2 3.68Å; W15-L78 HydrophobicContact CH2-CB 3.58Å; W15-L78 HydrophobicContact CZ2-CB 3.54Å; W15-L78 HydrophobicContact CZ2-CD2 4.49Å; W15-L78 HydrophobicContact CZ3-CB 3.78Å
16	G	91.5	Very high	92.2	Very high	13 Å²	13	63.3 Å²	63.3	13%	0.134	35%	0.352	C	S	.	.	S	Bend	trans	76.6	33.3	176.2	0	0	0	0	0	115.1	S35	G16-S35 PolarHBondContact O-N 2.98Å
17	F	94.7	Very high	92.2	Very high	30 Å²	30	63.7 Å²	63.7	13%	0.132	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	154.3	171.6	71.4	-88.6	0	0	0	111.3	L9 W15 L19 I31 R33 L34 A40 I71 L78 L80	L9-F17 HydrophobicContact CD1-CE1 4.45Å; W15-F17 HydrophobicContact CB-CD1 3.64Å; W15-F17 HydrophobicContact CB-CE1 3.5Å; W15-F17 VanDerWaalsContact CB-CE1 3.5Å; W15-F17 HydrophobicContact CG-CE1 4.2Å; F17-L19 HydrophobicContact CE2-CB 4.46Å; F17-I31 HydrophobicContact CB-CG2 4.28Å; F17-I31 HydrophobicContact CD2-CD1 3.5Å; F17-I31 VanDerWaalsContact CD2-CD1 3.5Å; F17-I31 HydrophobicContact CE2-CD1 3.76Å; F17-I31 HydrophobicContact CG-CD1 4.23Å; F17-R33 CarbonylContact C-O 3.58Å; F17-R33 WeakPolarHBondContact CA-O 3.48Å; F17-L34 HydrophobicContact CB-CD2 3.66Å; F17-A40 HydrophobicContact CB-CB 3.94Å; F17-A40 HydrophobicContact CD1-CB 3.83Å; F17-A40 HydrophobicContact CG-CB 4.29Å; F17-I71 HydrophobicContact CE2-CD1 4.12Å; F17-I71 HydrophobicContact CZ-CD1 3.93Å; F17-I71 HydrophobicContact CZ-CG1 4.42Å; F17-I71 HydrophobicContact CZ-CG2 4.06Å; F17-L78 HydrophobicContact CE1-CD2 3.87Å; F17-L78 HydrophobicContact CZ-CD2 4.13Å; F17-L80 HydrophobicContact CE1-CD1 4.15Å; F17-L80 HydrophobicContact CZ-CD1 3.97Å
18	R	93.4	Very high	92.1	Very high	89 Å²	89	66.9 Å²	66.9	34%	0.336	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	143.4	164.5	-68.7	-163.9	180	-150.4	2.5	109.8	S32 R33	R18-S32 PolarHBondContact O-N 2.98Å; R18-S32 PolarHBondContact O-OG 3.43Å; R18-R33 HydrophobicContact CB-CB 4.23Å; R18-R33 HydrophobicContact CG-CB 4.47Å; R18-R33 PolarHBondContact N-O 3.06Å
19	L	95.2	Very high	92.2	Very high	27 Å²	27	63.6 Å²	63.6	14%	0.141	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	145.5	178.9	-172.4	70.3	0	0	0	109.3	F17 L29 T30 V51 H64 A67 I71	F17-L19 HydrophobicContact CE2-CB 4.46Å; L19-L29 HydrophobicContact CD1-CD2 4.32Å; L19-L29 HydrophobicContact CD2-CD2 3.92Å; L19-L29 HydrophobicContact CG-CD2 4.1Å; L19-T30 CarbonylContact C-O 3.57Å; L19-T30 WeakPolarHBondContact CA-O 3.11Å; L19-V51 HydrophobicContact CD1-CG2 3.79Å; L19-H64 PolarHBondContact O-CE1 2.87Å; L19-A67 HydrophobicContact CD2-CB 3.85Å; L19-I71 HydrophobicContact CD2-CD1 3.88Å
20	Q	94.7	Very high	92.3	Very high	92 Å²	92	64.4 Å²	64.4	43%	0.43	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	159.4	175.3	177.3	172	-7.1	0	0	110	L29 T30	Q20-L29 CarbonylContact O-C 3.58Å; Q20-L29 WeakPolarHBondContact O-CA 3.39Å; Q20-T30 PolarHBondContact N-O 2.81Å; Q20-T30 PolarHBondContact O-N 3.46Å; Q20-T30 PolarHBondContact O-OG1 3.01Å
21	G	95.1	Very high	92.5	Very high	4 Å²	4	58.9 Å²	58.9	4%	0.041	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	76.5	-173	-179	0	0	0	0	0	113.3	L29 H64	G21-L29 WeakPolarHBondContact O-CD2 3.49Å; G21-H64 WeakPolarHBondContact O-CB 3.47Å; G21-H64 PolarHBondContact O-ND1 3.01Å
22	G	93.8	Very high	92.9	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.01	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	138.8	155.3	-163.3	0	0	0	0	0	109.9	D24 F25 N26 M27	G22-D24 WeakPolarHBondContact CA-OD1 3.48Å; G22-D24 PolarHBondContact O-N 2.79Å; G22-F25 CarbonylContact O-C 3.58Å; G22-F25 WeakPolarHBondContact O-CA 3.07Å; G22-F25 PolarHBondContact O-N 3.16Å; G22-N26 PolarHBondContact O-N 3.03Å; G22-M27 CarbonylContact C-O 3.54Å; G22-M27 PolarHBondContact N-O 3.23Å; G22-M27 PolarHBondContact O-N 3.44Å; G22-M27 VanDerWaalsContact O-O 3.11Å
23	K	93.9	Very high	93	Very high	129 Å²	129	61 Å²	61	56%	0.561	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-59.4	-35.4	178.7	174.1	179.6	-179.5	176.7	0	113.1	F25 N26 G61 M62	K23-F25 PolarHBondContact O-N 2.94Å; K23-N26 PolarHBondContact O-N 2.96Å; K23-N26 VanDerWaalsContact O-N 3.14Å; K23-G61 WeakPolarHBondContact CD-O 3.23Å; K23-G61 PolarHBondContact NZ-O 3.18Å; K23-M62 WeakPolarHBondContact CB-O 3.46Å; K23-M62 PolarHBondContact N-O 3.16Å
24	D	93.9	Very high	93.5	Very high	75 Å²	75	60.1 Å²	60.1	40%	0.401	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-58	-26.9	170.1	44.9	-14.6	0	0	0	113.8	G22 N63 H64	G22-D24 WeakPolarHBondContact CA-OD1 3.48Å; G22-D24 PolarHBondContact O-N 2.79Å; D24-N63 HydrophobicContact CB-CB 4.32Å; D24-N63 WeakPolarHBondContact OD1-CA 3.49Å; D24-H64 VanDerWaalsContact CG-N 3.33Å; D24-H64 PolarHBondContact OD1-N 3.14Å; D24-H64 WeakPolarHBondContact OD2-CB 3.47Å; D24-H64 PolarHBondContact OD2-N 2.81Å; D24-H64 VanDerWaalsContact OD2-N 3.11Å
25	F	92.3	Very high	93.6	Very high	126 Å²	126	56.6 Å²	56.6	55%	0.553	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-102.6	2.5	176.1	-64.9	-83.6	0	0	0	113.8	G22 K23 M27 H64	G22-F25 CarbonylContact O-C 3.58Å; G22-F25 WeakPolarHBondContact O-CA 3.07Å; G22-F25 PolarHBondContact O-N 3.16Å; K23-F25 PolarHBondContact O-N 2.94Å; F25-M27 HydrophobicContact CB-CB 4.49Å; F25-M27 PolarHBondContact O-N 2.9Å; F25-M27 VanDerWaalsContact O-N 3.15Å; F25-H64 HydrophobicContact CD2-CB 3.91Å; F25-H64 HydrophobicContact CE2-CB 3.62Å; F25-H64 AromaticContact CE2-CG 3.99Å
26	N	91.7	Very high	93.3	Very high	159 Å²	159	63.9 Å²	63.9	85%	0.85	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	28.9	-169.7	-63.7	-59.6	0	0	0	114.2	G22 K23	G22-N26 PolarHBondContact O-N 3.03Å; K23-N26 PolarHBondContact O-N 2.96Å; K23-N26 VanDerWaalsContact O-N 3.14Å
27	M	92.4	Very high	93	Very high	91 Å²	91	65.5 Å²	65.5	45%	0.448	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	147	-179.3	-73.2	-175.6	73.5	0	0	110.9	G22 F25	G22-M27 CarbonylContact C-O 3.54Å; G22-M27 PolarHBondContact N-O 3.23Å; G22-M27 PolarHBondContact O-N 3.44Å; G22-M27 VanDerWaalsContact O-O 3.11Å; F25-M27 HydrophobicContact CB-CB 4.49Å; F25-M27 PolarHBondContact O-N 2.9Å; F25-M27 VanDerWaalsContact O-N 3.15Å
28	P	93.2	Very high	92.7	Very high	81 Å²	81	64.8 Å²	64.8	53%	0.526	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	143	173.3	28.5	-34.8	0	0	0	111.2	T30 T50	P28-T30 HydrophobicContact CB-CG2 4.43Å; P28-T30 HydrophobicContact CG-CG2 4.23Å; P28-T30 PolarHBondContact O-N 3.23Å; P28-T30 PolarHBondContact O-OG1 3.28Å; P28-T30 VanDerWaalsContact O-OG1 3.08Å; P28-T50 HydrophobicContact CB-CG2 4.09Å
29	L	96.2	Very high	92.6	Very high	9 Å²	9	63.6 Å²	63.6	5%	0.047	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	116.3	175.6	-77.8	159.5	0	0	0	109.5	L19 Q20 G21 T50 V51 T59 M62 A67	L19-L29 HydrophobicContact CD1-CD2 4.32Å; L19-L29 HydrophobicContact CD2-CD2 3.92Å; L19-L29 HydrophobicContact CG-CD2 4.1Å; Q20-L29 CarbonylContact O-C 3.58Å; Q20-L29 WeakPolarHBondContact O-CA 3.39Å; G21-L29 WeakPolarHBondContact O-CD2 3.49Å; L29-T50 CarbonylContact O-C 3.52Å; L29-T50 WeakPolarHBondContact O-CA 3.26Å; L29-V51 HydrophobicContact CB-CB 4.35Å; L29-V51 PolarHBondContact O-N 3.48Å; L29-T59 HydrophobicContact CD1-CG2 4.1Å; L29-M62 HydrophobicContact CD1-CB 4.03Å; L29-A67 HydrophobicContact CD1-CB 3.9Å; L29-A67 HydrophobicContact CD2-CB 3.82Å
30	T	95.9	Very high	92.5	Very high	22 Å²	22	62.3 Å²	62.3	14%	0.135	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	150.9	-166.1	38.7	0	0	0	0	112.1	L19 Q20 P28 S32 D49 T50	L19-T30 CarbonylContact C-O 3.57Å; L19-T30 WeakPolarHBondContact CA-O 3.11Å; Q20-T30 PolarHBondContact N-O 2.81Å; Q20-T30 PolarHBondContact O-N 3.46Å; Q20-T30 PolarHBondContact O-OG1 3.01Å; P28-T30 HydrophobicContact CB-CG2 4.43Å; P28-T30 HydrophobicContact CG-CG2 4.23Å; P28-T30 PolarHBondContact O-N 3.23Å; P28-T30 PolarHBondContact O-OG1 3.28Å; P28-T30 VanDerWaalsContact O-OG1 3.08Å; T30-S32 PolarHBondContact O-N 2.74Å; T30-D49 WeakPolarHBondContact CA-O 3.39Å; T30-T50 HydrophobicContact CG2-CG2 4.47Å
31	I	95.8	Very high	92.3	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	109.3	176.7	-53.8	-62.4	0	0	0	109.4	F17 L34 V45 G48 D49 V51 L82	F17-I31 HydrophobicContact CB-CG2 4.28Å; F17-I31 HydrophobicContact CD2-CD1 3.5Å; F17-I31 VanDerWaalsContact CD2-CD1 3.5Å; F17-I31 HydrophobicContact CE2-CD1 3.76Å; F17-I31 HydrophobicContact CG-CD1 4.23Å; I31-L34 HydrophobicContact CG2-CD2 4.05Å; I31-L34 HydrophobicContact CG2-CG 4Å; I31-V45 HydrophobicContact CB-CG1 4.46Å; I31-V45 HydrophobicContact CD1-CG1 4.3Å; I31-V45 HydrophobicContact CG1-CG1 3.84Å; I31-V45 HydrophobicContact CG2-CG1 4.13Å; I31-G48 PolarHBondContact O-N 2.9Å; I31-D49 HydrophobicContact CG1-CB 4.32Å; I31-D49 PolarHBondContact N-O 2.9Å; I31-V51 HydrophobicContact CD1-CG2 3.95Å; I31-V51 HydrophobicContact CG1-CG2 4.45Å; I31-L82 HydrophobicContact CD1-CD2 4.43Å; I31-L82 HydrophobicContact CG1-CD2 4.14Å
32	S	94.5	Very high	92.1	Very high	33 Å²	33	67.4 Å²	67.4	23%	0.231	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-33.4	-172.5	57	0	0	0	0	114.7	R18 T30 V47	R18-S32 PolarHBondContact O-N 2.98Å; R18-S32 PolarHBondContact O-OG 3.43Å; T30-S32 PolarHBondContact O-N 2.74Å; S32-V47 WeakPolarHBondContact O-CG1 3.31Å
33	R	89.8	Confident	92	Very high	118 Å²	118	68.8 Å²	68.8	45%	0.445	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	150	174.2	-60.9	-177.1	-178.4	151.9	1.7	109.2	F17 R18 E524	F17-R33 CarbonylContact C-O 3.58Å; F17-R33 WeakPolarHBondContact CA-O 3.48Å; R18-R33 HydrophobicContact CB-CB 4.23Å; R18-R33 HydrophobicContact CG-CB 4.47Å; R18-R33 PolarHBondContact N-O 3.06Å; R33-E524 IonicContact NH1-OE1 3.16Å; R33-E524 PolarHBondContact NH1-OE1 3.48Å; R33-E524 VanDerWaalsContact NH1-OE1 3.16Å
34	L	94.3	Very high	91.8	Very high	38 Å²	38	65 Å²	65	20%	0.199	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	151.5	171.6	-77	166.7	0	0	0	109.8	F17 I31 A40 V45 V47	F17-L34 HydrophobicContact CB-CD2 3.66Å; I31-L34 HydrophobicContact CG2-CD2 4.05Å; I31-L34 HydrophobicContact CG2-CG 4Å; L34-A40 HydrophobicContact CD2-CB 3.58Å; L34-V45 WeakPolarHBondContact CD1-O 3.26Å; L34-V45 HydrophobicContact CD2-CB 4.27Å; L34-V45 HydrophobicContact CD2-CG1 4.1Å; L34-V47 HydrophobicContact CB-CG2 4.21Å; L34-V47 HydrophobicContact CD1-CG2 3.94Å; L34-V47 HydrophobicContact CG-CG2 3.98Å
35	S	90.4	Very high	91.8	Very high	37 Å²	37	61.9 Å²	61.9	26%	0.259	35%	0.353	S	S	.	.			trans	-91.1	124	169	-56.3	0	0	0	0	109.4	G16 G37 G38	G16-S35 PolarHBondContact O-N 2.98Å; S35-G37 PolarHBondContact O-N 3.24Å; S35-G38 WeakPolarHBondContact O-CA 3.37Å; S35-G38 PolarHBondContact O-N 3.42Å
36	D	85.6	Confident	91.9	Very high	166 Å²	166	58 Å²	58	89%	0.888	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	133.6	176.4	-73	-49.8	0	0	0	111.3	G38	D36-G38 PolarHBondContact O-N 3.46Å
37	G	85.8	Confident	92	Very high	47 Å²	47	54.3 Å²	54.3	49%	0.485	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	2	-172	0	0	0	0	0	115.5	S35 K42	S35-G37 PolarHBondContact O-N 3.24Å; G37-K42 WeakPolarHBondContact O-CD 3.26Å; G37-K42 WeakPolarHBondContact O-CE 3.3Å; G37-K42 PolarHBondContact O-NZ 3.3Å
38	G	87.9	Confident	92	Very high	16 Å²	16	51.6 Å²	51.6	17%	0.165	32%	0.323	C	S	.	.	S	Bend	trans	-67.4	170.8	175.2	0	0	0	0	0	113.4	S35 D36 A41 K42	S35-G38 WeakPolarHBondContact O-CA 3.37Å; S35-G38 PolarHBondContact O-N 3.42Å; D36-G38 PolarHBondContact O-N 3.46Å; G38-A41 PolarHBondContact O-N 2.68Å; G38-K42 WeakPolarHBondContact O-CB 3.49Å; G38-K42 WeakPolarHBondContact O-CG 3.48Å; G38-K42 PolarHBondContact O-N 3.47Å
39	K	91.8	Very high	92.1	Very high	64 Å²	64	47.9 Å²	47.9	28%	0.278	30%	0.299	S	S	.	.	H	α-helix	trans	-63.2	-47.3	-176.3	-59.3	-172.3	177.7	-166	0	112.1	L9 L10 G11 P12 W15 A41 K42 G43	L9-K39 HydrophobicContact CD1-CB 4.39Å; L9-K39 WeakPolarHBondContact CD2-O 3.41Å; L10-K39 PolarHBondContact O-NZ 2.82Å; G11-K39 PolarHBondContact O-NZ 2.85Å; P12-K39 PolarHBondContact O-NZ 3.38Å; W15-K39 HydrophobicContact CE3-CD 4.04Å; W15-K39 HydrophobicContact CZ3-CD 4.31Å; W15-K39 WeakPolarHBondContact O-CB 3.35Å; K39-A41 PolarHBondContact O-N 2.79Å; K39-K42 CarbonylContact O-C 3.49Å; K39-K42 PolarHBondContact O-N 3.17Å; K39-G43 PolarHBondContact O-N 2.82Å
40	A	93	Very high	92.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-59.1	-45.4	177.5	0	0	0	0	0	112.6	L9 W15 F17 L34 K42 G43 G44 V45	L9-A40 HydrophobicContact CD1-CB 4.03Å; W15-A40 WeakPolarHBondContact O-CB 3.1Å; W15-A40 PolarHBondContact O-N 3.08Å; F17-A40 HydrophobicContact CB-CB 3.94Å; F17-A40 HydrophobicContact CD1-CB 3.83Å; F17-A40 HydrophobicContact CG-CB 4.29Å; L34-A40 HydrophobicContact CD2-CB 3.58Å; A40-K42 PolarHBondContact O-N 3.04Å; A40-G43 CarbonylContact O-C 3.57Å; A40-G43 WeakPolarHBondContact O-CA 3.36Å; A40-G43 PolarHBondContact O-N 3.24Å; A40-G43 VanDerWaalsContact O-N 3.07Å; A40-G44 PolarHBondContact O-N 2.92Å; A40-V45 HydrophobicContact CB-CB 4.05Å; A40-V45 HydrophobicContact CB-CG2 3.99Å; A40-V45 WeakPolarHBondContact O-CB 3.43Å; A40-V45 WeakPolarHBondContact O-CG2 3.34Å; A40-V45 PolarHBondContact O-N 3.35Å
41	A	92.1	Very high	92.1	Very high	36 Å²	36	48.1 Å²	48.1	30%	0.298	30%	0.3	S	S	.	.	H	α-helix	trans	-60.4	-43.7	175.2	0	0	0	0	0	112.1	G38 K39 G43 G44	G38-A41 PolarHBondContact O-N 2.68Å; K39-A41 PolarHBondContact O-N 2.79Å; A41-G43 VanDerWaalsContact C-N 3.27Å; A41-G43 PolarHBondContact O-N 3.49Å; A41-G44 PolarHBondContact O-N 3.23Å; A41-G44 VanDerWaalsContact O-N 3.08Å
42	K	90.8	Very high	92.1	Very high	166 Å²	166	50.5 Å²	50.5	72%	0.722	31%	0.313	S	S	*	.	H	α-helix	trans	-65.4	-26.9	173.2	-76	167.4	172.4	153	0	113.6	G37 G38 K39 A40 G44	G37-K42 WeakPolarHBondContact O-CD 3.26Å; G37-K42 WeakPolarHBondContact O-CE 3.3Å; G37-K42 PolarHBondContact O-NZ 3.3Å; G38-K42 WeakPolarHBondContact O-CB 3.49Å; G38-K42 WeakPolarHBondContact O-CG 3.48Å; G38-K42 PolarHBondContact O-N 3.47Å; K39-K42 CarbonylContact O-C 3.49Å; K39-K42 PolarHBondContact O-N 3.17Å; A40-K42 PolarHBondContact O-N 3.04Å; K42-G44 VanDerWaalsContact C-N 3.26Å
43	G	90.3	Very high	92.2	Very high	31 Å²	31	49.6 Å²	49.6	32%	0.32	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-1.4	171.9	0	0	0	0	0	114.5	V7 K39 A40 A41	V7-G43 VanDerWaalsContact CG2-O 3.26Å; V7-G43 WeakPolarHBondContact CG2-O 3.45Å; K39-G43 PolarHBondContact O-N 2.82Å; A40-G43 CarbonylContact O-C 3.57Å; A40-G43 WeakPolarHBondContact O-CA 3.36Å; A40-G43 PolarHBondContact O-N 3.24Å; A40-G43 VanDerWaalsContact O-N 3.07Å; A41-G43 VanDerWaalsContact C-N 3.27Å; A41-G43 PolarHBondContact O-N 3.49Å
44	G	90.4	Very high	92.5	Very high	49 Å²	49	44.1 Å²	44.1	51%	0.505	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	16.7	-179.5	0	0	0	0	0	114.9	Y5 A40 A41 K42	Y5-G44 PolarHBondContact OH-O 2.96Å; A40-G44 PolarHBondContact O-N 2.92Å; A41-G44 PolarHBondContact O-N 3.23Å; A41-G44 VanDerWaalsContact O-N 3.08Å; K42-G44 VanDerWaalsContact C-N 3.26Å
45	V	93.9	Very high	92.3	Very high	10 Å²	10	46.1 Å²	46.1	6%	0.061	30%	0.297	C	S	.	.			trans	-66.5	140.1	171.1	-176.5	0	0	0	0	109.9	Y5 V7 I31 L34 A40 L82	Y5-V45 WeakPolarHBondContact OH-CA 3.36Å; V7-V45 HydrophobicContact CG1-CG2 3.97Å; I31-V45 HydrophobicContact CB-CG1 4.46Å; I31-V45 HydrophobicContact CD1-CG1 4.3Å; I31-V45 HydrophobicContact CG1-CG1 3.84Å; I31-V45 HydrophobicContact CG2-CG1 4.13Å; L34-V45 WeakPolarHBondContact CD1-O 3.26Å; L34-V45 HydrophobicContact CD2-CB 4.27Å; L34-V45 HydrophobicContact CD2-CG1 4.1Å; A40-V45 HydrophobicContact CB-CB 4.05Å; A40-V45 HydrophobicContact CB-CG2 3.99Å; A40-V45 WeakPolarHBondContact O-CB 3.43Å; A40-V45 WeakPolarHBondContact O-CG2 3.34Å; A40-V45 PolarHBondContact O-N 3.35Å; V45-L82 HydrophobicContact CB-CD1 4.44Å; V45-L82 HydrophobicContact CG1-CD1 4.09Å; V45-L82 HydrophobicContact CG2-CD1 3.8Å
46	A	93.3	Very high	92.3	Very high	43 Å²	43	47.3 Å²	47.3	36%	0.355	32%	0.315	S	S	.	.			trans	-114.5	157.1	173.9	0	0	0	0	0	112.7	D49	A46-D49 PolarHBondContact N-OD2 2.86Å; A46-D49 VanDerWaalsContact N-OD2 3.09Å; A46-D49 WeakPolarHBondContact O-CB 3Å; A46-D49 PolarHBondContact O-N 3.43Å
47	V	94.8	Very high	92.7	Very high	82 Å²	82	42.7 Å²	42.7	50%	0.497	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	135.9	169.7	176.2	0	0	0	0	109.2	S32 L34	S32-V47 WeakPolarHBondContact O-CG1 3.31Å; L34-V47 HydrophobicContact CB-CG2 4.21Å; L34-V47 HydrophobicContact CD1-CG2 3.94Å; L34-V47 HydrophobicContact CG-CG2 3.98Å
48	G	92.9	Very high	93.1	Very high	35 Å²	35	43.4 Å²	43.4	36%	0.361	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	-3.1	-174.8	0	0	0	0	0	114.8	I31	I31-G48 PolarHBondContact O-N 2.9Å
49	D	95	Very high	93.4	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.016	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-69.2	138	174.3	-73.6	-7.8	0	0	0	110.8	Y5 T30 I31 A46 L82 Q83 K84 A85	Y5-D49 PolarHBondContact OH-OD2 3.08Å; T30-D49 WeakPolarHBondContact CA-O 3.39Å; I31-D49 HydrophobicContact CG1-CB 4.32Å; I31-D49 PolarHBondContact N-O 2.9Å; A46-D49 PolarHBondContact N-OD2 2.86Å; A46-D49 VanDerWaalsContact N-OD2 3.09Å; A46-D49 WeakPolarHBondContact O-CB 3Å; A46-D49 PolarHBondContact O-N 3.43Å; D49-L82 HydrophobicContact CB-CD2 4.15Å; D49-Q83 WeakPolarHBondContact CA-O 3.27Å; D49-K84 VanDerWaalsContact OD1-CA 3.31Å; D49-K84 WeakPolarHBondContact OD1-CA 3.04Å; D49-A85 PolarHBondContact OD1-N 2.86Å
50	T	95.6	Very high	93.3	Very high	34 Å²	34	48.6 Å²	48.6	21%	0.209	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	126.7	179	-58.1	0	0	0	0	110.3	P28 L29 T30 L52 L82 Q83	P28-T50 HydrophobicContact CB-CG2 4.09Å; L29-T50 CarbonylContact O-C 3.52Å; L29-T50 WeakPolarHBondContact O-CA 3.26Å; T30-T50 HydrophobicContact CG2-CG2 4.47Å; T50-L52 HydrophobicContact CG2-CD2 4.23Å; T50-L52 PolarHBondContact O-N 3.39Å; T50-L82 CarbonylContact O-C 3.55Å; T50-L82 VanDerWaalsContact O-CA 3.29Å; T50-L82 WeakPolarHBondContact O-CA 3.1Å; T50-Q83 PolarHBondContact N-O 2.98Å; T50-Q83 PolarHBondContact O-N 2.88Å
51	V	96.1	Very high	93.2	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.012	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	117.6	175.4	-165	0	0	0	0	109.4	L19 L29 I31 I54 T59 L80 L82	L19-V51 HydrophobicContact CD1-CG2 3.79Å; L29-V51 HydrophobicContact CB-CB 4.35Å; L29-V51 PolarHBondContact O-N 3.48Å; I31-V51 HydrophobicContact CD1-CG2 3.95Å; I31-V51 HydrophobicContact CG1-CG2 4.45Å; V51-I54 HydrophobicContact CG1-CD1 4.46Å; V51-I54 HydrophobicContact CG1-CG1 3.86Å; V51-T59 HydrophobicContact CB-CG2 4.34Å; V51-T59 HydrophobicContact CG1-CG2 3.88Å; V51-T59 PolarHBondContact O-OG1 2.89Å; V51-L80 HydrophobicContact CG1-CD2 4.14Å; V51-L82 HydrophobicContact CB-CD2 4.34Å; V51-L82 HydrophobicContact CG2-CD2 3.89Å
52	L	95.5	Very high	93.3	Very high	50 Å²	50	49.5 Å²	49.5	26%	0.262	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	-28.2	178.1	-59.6	-176.5	0	0	0	113.3	N4 T50 S58 T59 T81 Q83	N4-L52 WeakPolarHBondContact ND2-CD1 3.34Å; T50-L52 HydrophobicContact CG2-CD2 4.23Å; T50-L52 PolarHBondContact O-N 3.39Å; L52-S58 WeakPolarHBondContact O-CA 3.44Å; L52-T59 VanDerWaalsContact CA-OG1 3.24Å; L52-T59 WeakPolarHBondContact CA-OG1 3.45Å; L52-T59 PolarHBondContact O-N 2.84Å; L52-T59 PolarHBondContact O-OG1 2.88Å; L52-T81 HydrophobicContact CB-CG2 4.37Å; L52-T81 PolarHBondContact N-O 2.96Å; L52-Q83 HydrophobicContact CD1-CB 4.02Å; L52-Q83 HydrophobicContact CD2-CB 4.43Å; L52-Q83 HydrophobicContact CG-CB 4.2Å
53	S	95.9	Very high	93.5	Very high	15 Å²	15	44.3 Å²	44.3	11%	0.105	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	152.9	170.1	74.2	0	0	0	0	112.7	V57 L80 T81	S53-V57 CarbonylContact C-O 3.51Å; S53-V57 WeakPolarHBondContact CA-O 3.32Å; S53-V57 VanDerWaalsContact CB-O 3.29Å; S53-V57 WeakPolarHBondContact CB-O 3.34Å; S53-L80 WeakPolarHBondContact O-CA 3.37Å; S53-T81 PolarHBondContact N-O 3.18Å; S53-T81 PolarHBondContact O-N 3.07Å; S53-T81 VanDerWaalsContact OG-CB 3.22Å; S53-T81 WeakPolarHBondContact OG-CB 3.33Å; S53-T81 PolarHBondContact OG-OG1 2.84Å
54	I	96.2	Very high	93.7	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.01	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	119.8	175.5	-59.9	163.9	0	0	0	107.2	V51 G56 V57 T59 A67 K70 I71 L78 L80	V51-I54 HydrophobicContact CG1-CD1 4.46Å; V51-I54 HydrophobicContact CG1-CG1 3.86Å; I54-G56 PolarHBondContact O-N 3.05Å; I54-V57 PolarHBondContact N-O 3.07Å; I54-V57 WeakPolarHBondContact O-CB 3.45Å; I54-V57 PolarHBondContact O-N 3.23Å; I54-T59 HydrophobicContact CD1-CG2 3.74Å; I54-T59 HydrophobicContact CG1-CG2 3.79Å; I54-A67 HydrophobicContact CD1-CB 3.83Å; I54-K70 HydrophobicContact CG2-CB 3.85Å; I54-I71 HydrophobicContact CD1-CD1 3.91Å; I54-I71 HydrophobicContact CD1-CG1 4.08Å; I54-I71 HydrophobicContact CG1-CD1 4.5Å; I54-I71 HydrophobicContact CG1-CG1 4.43Å; I54-I71 HydrophobicContact CG2-CG1 3.95Å; I54-L78 HydrophobicContact CG2-CD1 4.01Å; I54-L80 HydrophobicContact CB-CD2 4.36Å; I54-L80 HydrophobicContact CG1-CD2 3.87Å; I54-L80 HydrophobicContact CG2-CD2 4.35Å
55	D	91.7	Very high	93.8	Very high	80 Å²	80	47.1 Å²	47.1	43%	0.428	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.8	45.7	-172.4	-74.3	-9.1	0	0	0	113	V57 C74 S79	D55-V57 PolarHBondContact O-N 2.95Å; D55-C74 PolarHBondContact OD2-SG 3.02Å; D55-S79 PolarHBondContact N-O 3.45Å; D55-S79 PolarHBondContact OD1-N 3.05Å
56	G	89.5	Confident	93.9	Very high	63 Å²	63	51.2 Å²	51.2	65%	0.649	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	-10.2	-179.6	0	0	0	0	0	115.3	I54	I54-G56 PolarHBondContact O-N 3.05Å
57	V	93.8	Very high	94	Very high	68 Å²	68	49.1 Å²	49.1	41%	0.412	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	121.2	176.7	-168.9	0	0	0	0	109.8	S53 I54 D55 T59 M62	S53-V57 CarbonylContact C-O 3.51Å; S53-V57 WeakPolarHBondContact CA-O 3.32Å; S53-V57 VanDerWaalsContact CB-O 3.29Å; S53-V57 WeakPolarHBondContact CB-O 3.34Å; I54-V57 PolarHBondContact N-O 3.07Å; I54-V57 WeakPolarHBondContact O-CB 3.45Å; I54-V57 PolarHBondContact O-N 3.23Å; D55-V57 PolarHBondContact O-N 2.95Å; V57-T59 PolarHBondContact O-N 3.43Å; V57-M62 HydrophobicContact CB-CE 4.01Å; V57-M62 HydrophobicContact CG1-CE 3.69Å
58	S	93.9	Very high	94	Very high	63 Å²	63	48.2 Å²	48.2	44%	0.441	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	131.6	176.8	-177.4	0	0	0	0	111.4	L52 E60 M62	L52-S58 WeakPolarHBondContact O-CA 3.44Å; S58-E60 PolarHBondContact O-N 2.8Å; S58-E60 WeakPolarHBondContact OG-CB 3.33Å; S58-E60 PolarHBondContact OG-N 3.47Å; S58-M62 WeakPolarHBondContact O-CE 3.14Å
59	T	94.3	Very high	94	Very high	13 Å²	13	50 Å²	50	8%	0.08	29%	0.289	C	S	.	.			trans	-76.7	-6.3	174	49	0	0	0	0	113.2	L29 V51 L52 I54 V57 G61 M62	L29-T59 HydrophobicContact CD1-CG2 4.1Å; V51-T59 HydrophobicContact CB-CG2 4.34Å; V51-T59 HydrophobicContact CG1-CG2 3.88Å; V51-T59 PolarHBondContact O-OG1 2.89Å; L52-T59 VanDerWaalsContact CA-OG1 3.24Å; L52-T59 WeakPolarHBondContact CA-OG1 3.45Å; L52-T59 PolarHBondContact O-N 2.84Å; L52-T59 PolarHBondContact O-OG1 2.88Å; I54-T59 HydrophobicContact CD1-CG2 3.74Å; I54-T59 HydrophobicContact CG1-CG2 3.79Å; V57-T59 PolarHBondContact O-N 3.43Å; T59-G61 PolarHBondContact O-N 3.29Å; T59-M62 HydrophobicContact CG2-CE 4.33Å; T59-M62 HydrophobicContact CG2-SD 4.37Å; T59-M62 PolarHBondContact O-N 2.96Å
60	E	90.5	Very high	94	Very high	176 Å²	176	53.3 Å²	53.3	82%	0.822	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	107.9	-179.4	-172.6	172.3	-163.6	0	0	111	S58	S58-E60 PolarHBondContact O-N 2.8Å; S58-E60 WeakPolarHBondContact OG-CB 3.33Å; S58-E60 PolarHBondContact OG-N 3.47Å
61	G	90.1	Very high	93.9	Very high	40 Å²	40	52.4 Å²	52.4	41%	0.412	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	13.9	-179.3	0	0	0	0	0	116.1	K23 T59	K23-G61 WeakPolarHBondContact CD-O 3.23Å; K23-G61 PolarHBondContact NZ-O 3.18Å; T59-G61 PolarHBondContact O-N 3.29Å
62	M	94.1	Very high	93.6	Very high	14 Å²	14	58 Å²	58	7%	0.069	32%	0.321	C	S	.	.			trans	-72.1	144.3	165.2	-68.6	-165.2	-158.5	0	0	111.6	K23 L29 V57 S58 T59 E66 A67 K70	K23-M62 WeakPolarHBondContact CB-O 3.46Å; K23-M62 PolarHBondContact N-O 3.16Å; L29-M62 HydrophobicContact CD1-CB 4.03Å; V57-M62 HydrophobicContact CB-CE 4.01Å; V57-M62 HydrophobicContact CG1-CE 3.69Å; S58-M62 WeakPolarHBondContact O-CE 3.14Å; T59-M62 HydrophobicContact CG2-CE 4.33Å; T59-M62 HydrophobicContact CG2-SD 4.37Å; T59-M62 PolarHBondContact O-N 2.96Å; M62-E66 WeakPolarHBondContact CA-OE2 3.49Å; M62-A67 HydrophobicContact SD-CB 4.45Å; M62-K70 HydrophobicContact CE-CD 3.58Å; M62-K70 VanDerWaalsContact CE-CE 3.5Å; M62-K70 HydrophobicContact SD-CD 3.62Å
63	N	95.4	Very high	93.3	Very high	58 Å²	58	61.6 Å²	61.6	31%	0.31	34%	0.341	S	S	.	.			trans	-78.6	157.5	165.3	-65.3	-16.5	0	0	0	110.9	D24 L65 E66 A67	D24-N63 HydrophobicContact CB-CB 4.32Å; D24-N63 WeakPolarHBondContact OD1-CA 3.49Å; N63-L65 VanDerWaalsContact C-N 3.3Å; N63-L65 PolarHBondContact O-N 3.31Å; N63-E66 HydrophobicContact CB-CG 4.15Å; N63-E66 PolarHBondContact N-OE2 3.26Å; N63-E66 WeakPolarHBondContact O-CB 3.42Å; N63-E66 PolarHBondContact O-N 2.87Å; N63-A67 PolarHBondContact O-N 3.47Å; N63-A67 VanDerWaalsContact O-N 3.08Å
64	H	94.4	Very high	93	Very high	35 Å²	35	61.3 Å²	61.3	16%	0.162	34%	0.339	C	S	.	.	H	α-helix	trans	-55.2	-43.5	-179.5	-173.8	79.8	0	0	0	112.6	L19 G21 D24 F25 E66 A67 Q68	L19-H64 PolarHBondContact O-CE1 2.87Å; G21-H64 WeakPolarHBondContact O-CB 3.47Å; G21-H64 PolarHBondContact O-ND1 3.01Å; D24-H64 VanDerWaalsContact CG-N 3.33Å; D24-H64 PolarHBondContact OD1-N 3.14Å; D24-H64 WeakPolarHBondContact OD2-CB 3.47Å; D24-H64 PolarHBondContact OD2-N 2.81Å; D24-H64 VanDerWaalsContact OD2-N 3.11Å; F25-H64 HydrophobicContact CD2-CB 3.91Å; F25-H64 HydrophobicContact CE2-CB 3.62Å; F25-H64 AromaticContact CE2-CG 3.99Å; H64-E66 VanDerWaalsContact C-N 3.34Å; H64-E66 PolarHBondContact O-N 2.89Å; H64-A67 PolarHBondContact O-N 2.89Å; H64-Q68 PolarHBondContact CD2-NE2 3.19Å; H64-Q68 VanDerWaalsContact CD2-NE2 3.33Å; H64-Q68 PolarHBondContact NE2-NE2 2.89Å; H64-Q68 WeakPolarHBondContact O-CG 3.4Å; H64-Q68 PolarHBondContact O-N 2.87Å
65	L	93.6	Very high	92.4	Very high	104 Å²	104	66.7 Å²	66.7	55%	0.545	37%	0.371	S	S	.	.	H	α-helix	trans	-65.3	-34.9	178	-178.6	58.9	0	0	0	112.7	N63 N69	N63-L65 VanDerWaalsContact C-N 3.3Å; N63-L65 PolarHBondContact O-N 3.31Å; L65-N69 VanDerWaalsContact O-CB 3.29Å; L65-N69 WeakPolarHBondContact O-CB 3.31Å; L65-N69 PolarHBondContact O-N 3.19Å; L65-N69 PolarHBondContact O-ND2 3.23Å; L65-N69 PolarHBondContact O-OD1 3.1Å
66	E	94.8	Very high	92.2	Very high	95 Å²	95	64.5 Å²	64.5	44%	0.444	37%	0.368	S	S	.	.	H	α-helix	trans	-69.7	-42.9	177.9	-61.6	174.8	141	0	0	111	M62 N63 H64 N69 K70	M62-E66 WeakPolarHBondContact CA-OE2 3.49Å; N63-E66 HydrophobicContact CB-CG 4.15Å; N63-E66 PolarHBondContact N-OE2 3.26Å; N63-E66 WeakPolarHBondContact O-CB 3.42Å; N63-E66 PolarHBondContact O-N 2.87Å; H64-E66 VanDerWaalsContact C-N 3.34Å; H64-E66 PolarHBondContact O-N 2.89Å; E66-N69 PolarHBondContact O-N 3.04Å; E66-K70 WeakPolarHBondContact O-CG 3.44Å; E66-K70 PolarHBondContact O-N 3.29Å
67	A	95.9	Very high	92.3	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-63.4	-45.3	174.4	0	0	0	0	0	111.7	L19 L29 I54 M62 N63 H64 N69 K70 I71	L19-A67 HydrophobicContact CD2-CB 3.85Å; L29-A67 HydrophobicContact CD1-CB 3.9Å; L29-A67 HydrophobicContact CD2-CB 3.82Å; I54-A67 HydrophobicContact CD1-CB 3.83Å; M62-A67 HydrophobicContact SD-CB 4.45Å; N63-A67 PolarHBondContact O-N 3.47Å; N63-A67 VanDerWaalsContact O-N 3.08Å; H64-A67 PolarHBondContact O-N 2.89Å; A67-N69 PolarHBondContact O-N 3.14Å; A67-K70 PolarHBondContact O-N 2.91Å; A67-I71 WeakPolarHBondContact O-CD1 3.44Å; A67-I71 WeakPolarHBondContact O-CG1 3.48Å; A67-I71 PolarHBondContact O-N 3.44Å; A67-I71 VanDerWaalsContact O-N 3.09Å
68	Q	94	Very high	92.3	Very high	63 Å²	63	62.6 Å²	62.6	29%	0.294	34%	0.34	S	S	.	.	H	α-helix	trans	-56.9	-48.5	172.1	-79.9	-159	28.9	0	0	111.9	H64 K70 I71 K72	H64-Q68 PolarHBondContact CD2-NE2 3.19Å; H64-Q68 VanDerWaalsContact CD2-NE2 3.33Å; H64-Q68 PolarHBondContact NE2-NE2 2.89Å; H64-Q68 WeakPolarHBondContact O-CG 3.4Å; H64-Q68 PolarHBondContact O-N 2.87Å; Q68-K70 VanDerWaalsContact C-N 3.34Å; Q68-K70 PolarHBondContact O-N 2.92Å; Q68-I71 PolarHBondContact O-N 3.09Å; Q68-K72 WeakPolarHBondContact O-CB 3.31Å; Q68-K72 VanDerWaalsContact O-CG 3.25Å; Q68-K72 WeakPolarHBondContact O-CG 3.26Å; Q68-K72 PolarHBondContact O-N 2.55Å
69	N	94.3	Very high	92.3	Very high	71 Å²	71	61.3 Å²	61.3	38%	0.38	33%	0.332	S	S	.	.	H	α-helix	trans	-66	-36.8	-176.1	-72.6	-12.9	0	0	0	111.8	L65 E66 A67 K72 N73	L65-N69 VanDerWaalsContact O-CB 3.29Å; L65-N69 WeakPolarHBondContact O-CB 3.31Å; L65-N69 PolarHBondContact O-N 3.19Å; L65-N69 PolarHBondContact O-ND2 3.23Å; L65-N69 PolarHBondContact O-OD1 3.1Å; E66-N69 PolarHBondContact O-N 3.04Å; A67-N69 PolarHBondContact O-N 3.14Å; N69-K72 PolarHBondContact O-N 3.28Å; N69-N73 WeakPolarHBondContact O-CB 3.42Å; N69-N73 PolarHBondContact O-N 3.16Å; N69-N73 PolarHBondContact O-ND2 3.01Å; N69-N73 PolarHBondContact O-OD1 2.84Å
70	K	94.2	Very high	92.4	Very high	73 Å²	73	60.7 Å²	60.7	32%	0.317	33%	0.328	S	S	.	.	H	α-helix	trans	-59.4	-54.2	170.5	-75	170	175.4	-71.9	0	111.3	I54 M62 E66 A67 Q68 K72 N73 C74	I54-K70 HydrophobicContact CG2-CB 3.85Å; M62-K70 HydrophobicContact CE-CD 3.58Å; M62-K70 VanDerWaalsContact CE-CE 3.5Å; M62-K70 HydrophobicContact SD-CD 3.62Å; E66-K70 WeakPolarHBondContact O-CG 3.44Å; E66-K70 PolarHBondContact O-N 3.29Å; A67-K70 PolarHBondContact O-N 2.91Å; Q68-K70 VanDerWaalsContact C-N 3.34Å; Q68-K70 PolarHBondContact O-N 2.92Å; K70-K72 PolarHBondContact O-N 2.96Å; K70-N73 PolarHBondContact O-N 2.83Å; K70-C74 PolarHBondContact O-N 2.81Å; K70-C74 PolarHBondContact O-SG 3.11Å
71	I	94.4	Very high	92.7	Very high	16 Å²	16	54 Å²	54	8%	0.082	30%	0.299	C	S	.	.	H	α-helix	trans	-59.3	-31.6	-179.8	-70.2	161.5	0	0	0	113	W15 F17 L19 I54 A67 Q68 L78	W15-I71 PolarHBondContact NE1-O 2.8Å; F17-I71 HydrophobicContact CE2-CD1 4.12Å; F17-I71 HydrophobicContact CZ-CD1 3.93Å; F17-I71 HydrophobicContact CZ-CG1 4.42Å; F17-I71 HydrophobicContact CZ-CG2 4.06Å; L19-I71 HydrophobicContact CD2-CD1 3.88Å; I54-I71 HydrophobicContact CD1-CD1 3.91Å; I54-I71 HydrophobicContact CD1-CG1 4.08Å; I54-I71 HydrophobicContact CG1-CD1 4.5Å; I54-I71 HydrophobicContact CG1-CG1 4.43Å; I54-I71 HydrophobicContact CG2-CG1 3.95Å; A67-I71 WeakPolarHBondContact O-CD1 3.44Å; A67-I71 WeakPolarHBondContact O-CG1 3.48Å; A67-I71 PolarHBondContact O-N 3.44Å; A67-I71 VanDerWaalsContact O-N 3.09Å; Q68-I71 PolarHBondContact O-N 3.09Å; I71-L78 HydrophobicContact CG1-CD1 4.31Å; I71-L78 HydrophobicContact CG2-CD2 4.1Å
72	K	89.6	Confident	92.9	Very high	120 Å²	120	52 Å²	52	52%	0.522	28%	0.279	S	S	.	.	H	α-helix	trans	-77.6	-30.9	175.7	-70.4	169.4	-170	173.4	0	113.4	Q68 N69 K70 C74	Q68-K72 WeakPolarHBondContact O-CB 3.31Å; Q68-K72 VanDerWaalsContact O-CG 3.25Å; Q68-K72 WeakPolarHBondContact O-CG 3.26Å; Q68-K72 PolarHBondContact O-N 2.55Å; N69-K72 PolarHBondContact O-N 3.28Å; K70-K72 PolarHBondContact O-N 2.96Å; K72-C74 VanDerWaalsContact C-N 3.3Å
73	N	89.7	Confident	93	Very high	125 Å²	125	54.3 Å²	54.3	67%	0.668	29%	0.289	S	S	*	.	H	α-helix	trans	-77.1	-16.6	178.9	-70.9	-9.4	0	0	0	112.9	N69 K70 T75	N69-N73 WeakPolarHBondContact O-CB 3.42Å; N69-N73 PolarHBondContact O-N 3.16Å; N69-N73 PolarHBondContact O-ND2 3.01Å; N69-N73 PolarHBondContact O-OD1 2.84Å; K70-N73 PolarHBondContact O-N 2.83Å; N73-T75 PolarHBondContact O-N 2.82Å; N73-T75 VanDerWaalsContact O-N 3.16Å
74	C	88.9	Confident	92.8	Very high	9 Å²	9	57 Å²	57	6%	0.061	30%	0.298	C	S	.	.			trans	-64.7	107.1	169.2	-54.4	0	0	0	0	110	W15 D55 K70 K72 N77 L78	W15-C74 HydrophobicContact CZ2-CB 3.71Å; W15-C74 WeakPolarHBondContact CZ2-O 3.38Å; D55-C74 PolarHBondContact OD2-SG 3.02Å; K70-C74 PolarHBondContact O-N 2.81Å; K70-C74 PolarHBondContact O-SG 3.11Å; K72-C74 VanDerWaalsContact C-N 3.3Å; C74-N77 WeakPolarHBondContact CB-O 3.39Å; C74-L78 HydrophobicContact CB-CB 4.09Å; C74-L78 HydrophobicContact CB-CD1 4.32Å; C74-L78 VanDerWaalsContact SG-CD1 3.51Å
75	T	83.5	Confident	92.3	Very high	114 Å²	114	57 Å²	57	70%	0.699	31%	0.305	S	S	*	.	S	Bend	trans	-101.3	-32	-177.4	51.8	0	0	0	0	114.2	P12 N73	P12-T75 VanDerWaalsContact CA-O 3.26Å; P12-T75 WeakPolarHBondContact CA-O 3.39Å; P12-T75 WeakPolarHBondContact CB-O 3.32Å; N73-T75 PolarHBondContact O-N 2.82Å; N73-T75 VanDerWaalsContact O-N 3.16Å
76	G	86.4	Confident	91.1	Very high	34 Å²	34	56.9 Å²	56.9	35%	0.351	31%	0.312	S	S	.	.	S	Bend	trans	-100.3	-59.9	179.9	0	0	0	0	0	112.8	G11	G11-G76 CarbonylContact C-O 3.58Å; G11-G76 WeakPolarHBondContact CA-O 3.24Å; G11-G76 PolarHBondContact N-O 3.28Å
77	N	91.6	Very high	89	Confident	91 Å²	91	57.6 Å²	57.6	49%	0.487	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	155.4	-178.1	-57.4	2.3	0	0	0	108.7	T8 L9 C74	T8-N77 HydrophobicContact CG2-CB 4.24Å; L9-N77 CarbonylContact O-C 3.57Å; L9-N77 VanDerWaalsContact O-CA 3.31Å; L9-N77 WeakPolarHBondContact O-CA 3.25Å; C74-N77 WeakPolarHBondContact CB-O 3.39Å
78	L	94.6	Very high	86.2	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	119.7	168.7	166.8	65.2	0	0	0	109	T8 L9 W15 F17 I54 I71 C74 L80	T8-L78 CarbonylContact C-O 3.59Å; T8-L78 WeakPolarHBondContact CA-O 3.14Å; L9-L78 HydrophobicContact CB-CB 4.47Å; L9-L78 HydrophobicContact CD1-CD2 4.38Å; L9-L78 PolarHBondContact N-O 2.78Å; L9-L78 PolarHBondContact O-N 3.43Å; W15-L78 HydrophobicContact CB-CD2 4.33Å; W15-L78 HydrophobicContact CD2-CB 3.96Å; W15-L78 HydrophobicContact CD2-CD2 3.66Å; W15-L78 HydrophobicContact CD2-CG 4.47Å; W15-L78 HydrophobicContact CE3-CB 3.97Å; W15-L78 HydrophobicContact CE3-CD2 4.23Å; W15-L78 HydrophobicContact CG-CD2 3.68Å; W15-L78 HydrophobicContact CH2-CB 3.58Å; W15-L78 HydrophobicContact CZ2-CB 3.54Å; W15-L78 HydrophobicContact CZ2-CD2 4.49Å; W15-L78 HydrophobicContact CZ3-CB 3.78Å; F17-L78 HydrophobicContact CE1-CD2 3.87Å; F17-L78 HydrophobicContact CZ-CD2 4.13Å; I54-L78 HydrophobicContact CG2-CD1 4.01Å; I71-L78 HydrophobicContact CG1-CD1 4.31Å; I71-L78 HydrophobicContact CG2-CD2 4.1Å; C74-L78 HydrophobicContact CB-CB 4.09Å; C74-L78 HydrophobicContact CB-CD1 4.32Å; C74-L78 VanDerWaalsContact SG-CD1 3.51Å; L78-L80 HydrophobicContact CD1-CD2 3.87Å; L78-L80 HydrophobicContact CD1-CG 4.27Å; L78-L80 HydrophobicContact CD2-CD1 4.29Å; L78-L80 HydrophobicContact CD2-CD2 4.39Å; L78-L80 HydrophobicContact CD2-CG 4.31Å; L78-L80 HydrophobicContact CG-CD2 4.2Å; L78-L80 HydrophobicContact CG-CG 4.07Å
79	S	94.8	Very high	83.4	Confident	37 Å²	37	66.2 Å²	66.2	26%	0.259	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	126.5	174.4	-176.4	0	0	0	0	110.2	V7 D55	V7-S79 WeakPolarHBondContact O-CA 3.45Å; D55-S79 PolarHBondContact N-O 3.45Å; D55-S79 PolarHBondContact OD1-N 3.05Å
80	L	95.8	Very high	80.5	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	136.6	175.9	-61.2	174.7	0	0	0	109.6	S6 V7 F17 V51 S53 I54 L78 L82	S6-L80 CarbonylContact C-O 3.4Å; S6-L80 VanDerWaalsContact CA-O 3.26Å; S6-L80 WeakPolarHBondContact CA-O 3.48Å; V7-L80 HydrophobicContact CG1-CB 3.93Å; V7-L80 PolarHBondContact N-O 3.02Å; V7-L80 PolarHBondContact O-N 3.3Å; F17-L80 HydrophobicContact CE1-CD1 4.15Å; F17-L80 HydrophobicContact CZ-CD1 3.97Å; V51-L80 HydrophobicContact CG1-CD2 4.14Å; S53-L80 WeakPolarHBondContact O-CA 3.37Å; I54-L80 HydrophobicContact CB-CD2 4.36Å; I54-L80 HydrophobicContact CG1-CD2 3.87Å; I54-L80 HydrophobicContact CG2-CD2 4.35Å; L78-L80 HydrophobicContact CD1-CD2 3.87Å; L78-L80 HydrophobicContact CD1-CG 4.27Å; L78-L80 HydrophobicContact CD2-CD1 4.29Å; L78-L80 HydrophobicContact CD2-CD2 4.39Å; L78-L80 HydrophobicContact CD2-CG 4.31Å; L78-L80 HydrophobicContact CG-CD2 4.2Å; L78-L80 HydrophobicContact CG-CG 4.07Å; L80-L82 HydrophobicContact CB-CD1 4.29Å; L80-L82 HydrophobicContact CB-CG 4.23Å
81	T	95.9	Very high	77.6	Confident	34 Å²	34	73.9 Å²	73.9	21%	0.209	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	128.2	160.3	-54.3	0	0	0	0	108.7	S6 L52 S53	S6-T81 PolarHBondContact OG-OG1 3.05Å; S6-T81 VanDerWaalsContact OG-OG1 3.07Å; L52-T81 HydrophobicContact CB-CG2 4.37Å; L52-T81 PolarHBondContact N-O 2.96Å; S53-T81 PolarHBondContact N-O 3.18Å; S53-T81 PolarHBondContact O-N 3.07Å; S53-T81 VanDerWaalsContact OG-CB 3.22Å; S53-T81 WeakPolarHBondContact OG-CB 3.33Å; S53-T81 PolarHBondContact OG-OG1 2.84Å
82	L	95.6	Very high	75	Confident	0 Å²	0	78.4 Å²	78.4	0%	0	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	142.9	-170.8	-68.9	159.1	0	0	0	110	N4 Y5 V7 I31 V45 D49 T50 V51 L80	N4-L82 CarbonylContact C-O 3.59Å; N4-L82 VanDerWaalsContact CA-O 3.31Å; N4-L82 WeakPolarHBondContact CA-O 3.21Å; Y5-L82 HydrophobicContact CD1-CB 4.08Å; Y5-L82 WeakPolarHBondContact CD1-O 3.36Å; Y5-L82 HydrophobicContact CE1-CB 3.56Å; Y5-L82 HydrophobicContact CE1-CD1 4.45Å; Y5-L82 HydrophobicContact CE2-CB 4.38Å; Y5-L82 HydrophobicContact CE2-CD1 4.05Å; Y5-L82 PolarHBondContact N-O 3.01Å; Y5-L82 PolarHBondContact O-N 3.31Å; Y5-L82 VanDerWaalsContact O-O 3.12Å; Y5-L82 WeakPolarHBondContact OH-CD1 3.35Å; V7-L82 HydrophobicContact CG1-CD1 3.65Å; I31-L82 HydrophobicContact CD1-CD2 4.43Å; I31-L82 HydrophobicContact CG1-CD2 4.14Å; V45-L82 HydrophobicContact CB-CD1 4.44Å; V45-L82 HydrophobicContact CG1-CD1 4.09Å; V45-L82 HydrophobicContact CG2-CD1 3.8Å; D49-L82 HydrophobicContact CB-CD2 4.15Å; T50-L82 CarbonylContact O-C 3.55Å; T50-L82 VanDerWaalsContact O-CA 3.29Å; T50-L82 WeakPolarHBondContact O-CA 3.1Å; V51-L82 HydrophobicContact CB-CD2 4.34Å; V51-L82 HydrophobicContact CG2-CD2 3.89Å; L80-L82 HydrophobicContact CB-CD1 4.29Å; L80-L82 HydrophobicContact CB-CG 4.23Å
83	Q	94.5	Very high	72.7	Confident	61 Å²	61	78.7 Å²	78.7	29%	0.285	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	125.2	165.7	176.8	176.1	-2	0	0	108.2	S2 N4 D49 T50 L52 A85	S2-Q83 VanDerWaalsContact CB-NE2 3.33Å; S2-Q83 PolarHBondContact OG-NE2 3.11Å; N4-Q83 WeakPolarHBondContact OD1-CB 3.41Å; N4-Q83 WeakPolarHBondContact OD1-CG 3.42Å; D49-Q83 WeakPolarHBondContact CA-O 3.27Å; T50-Q83 PolarHBondContact N-O 2.98Å; T50-Q83 PolarHBondContact O-N 2.88Å; L52-Q83 HydrophobicContact CD1-CB 4.02Å; L52-Q83 HydrophobicContact CD2-CB 4.43Å; L52-Q83 HydrophobicContact CG-CB 4.2Å; Q83-A85 PolarHBondContact O-N 3.3Å
84	K	93.2	Very high	70.4	Confident	115 Å²	115	79.8 Å²	79.8	50%	0.5	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-59.8	136.3	-179.9	-74.6	-167.1	175.2	-166.4	0	112.2	G3 Y5 D49 S86	G3-K84 PolarHBondContact O-N 3.33Å; Y5-K84 HydrophobicContact CD1-CD 4.41Å; Y5-K84 HydrophobicContact CD1-CG 3.68Å; Y5-K84 HydrophobicContact CE1-CD 4.37Å; Y5-K84 HydrophobicContact CE1-CG 3.48Å; Y5-K84 VanDerWaalsContact CE1-CG 3.48Å; D49-K84 VanDerWaalsContact OD1-CA 3.31Å; D49-K84 WeakPolarHBondContact OD1-CA 3.04Å; K84-S86 PolarHBondContact O-N 3.43Å
85	A	82.1	Confident	68	Low	36 Å²	36	83.3 Å²	83.3	30%	0.298	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-48	134.1	169	0	0	0	0	0	110.6	D49 Q83 S87	D49-A85 PolarHBondContact OD1-N 2.86Å; Q83-A85 PolarHBondContact O-N 3.3Å; A85-S87 VanDerWaalsContact C-N 3.3Å; A85-S87 PolarHBondContact O-N 3.31Å
86	S	68.1	Low	66	Low	100 Å²	100	84 Å²	84	70%	0.699	52%	0.522	S	S	*	.			trans	-71.2	83.7	179.4	-65.8	0	0	0	0	110.7	K84 V88	K84-S86 PolarHBondContact O-N 3.43Å; S86-V88 PolarHBondContact O-N 3.04Å
87	S	51.4	Low	63.4	Low	111 Å²	111	92.4 Å²	92.4	78%	0.776	55%	0.548	S	S	*	.			trans	-68.1	95.7	-178	49.2	0	0	0	0	111.9	A85 S89	A85-S87 VanDerWaalsContact C-N 3.3Å; A85-S87 PolarHBondContact O-N 3.31Å; S87-S89 PolarHBondContact O-N 3.37Å
88	V	36.5	Very low	60.5	Low	140 Å²	140	97.7 Å²	97.7	85%	0.848	57%	0.567	S	S	*	*			trans	-62.2	105.6	159.9	178.5	0	0	0	0	107.1	S86 K90	S86-V88 PolarHBondContact O-N 3.04Å; V88-K90 PolarHBondContact O-N 2.88Å; V88-K90 VanDerWaalsContact O-N 3.11Å
89	S	36.1	Very low	57.6	Low	104 Å²	104	105 Å²	105	73%	0.727	61%	0.607	S	S	*	*			trans	-67.7	109.8	-178.2	41.9	0	0	0	0	110.4	S87 P91	S87-S89 PolarHBondContact O-N 3.37Å; S89-P91 WeakPolarHBondContact O-CD 3.14Å
90	K	32.4	Very low	54.4	Low	195 Å²	195	110.2 Å²	110.2	85%	0.848	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-54.2	120.1	168.6	-172.7	174.2	-175.4	174.4	0	108.4	V88	V88-K90 PolarHBondContact O-N 2.88Å; V88-K90 VanDerWaalsContact O-N 3.11Å
91	P	34.5	Very low	51.5	Low	109 Å²	109	119.4 Å²	119.4	71%	0.708	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-63.2	142.4	-176.8	24.4	-33.2	0	0	0	110.4	S89	S89-P91 WeakPolarHBondContact O-CD 3.14Å
92	P	40.2	Very low	48.5	Very low	112 Å²	112	122.5 Å²	122.5	73%	0.727	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-69.4	146.7	-174.5	28.2	-34.9	0	0	0	111.6	V94	P92-V94 PolarHBondContact O-N 3.35Å
93	P	41.1	Very low	45.6	Very low	126 Å²	126	128.9 Å²	128.9	82%	0.818	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-68.2	128.9	178	28.3	-34	0	0	0	111	A95	P93-A95 PolarHBondContact O-N 2.9Å
94	V	42	Very low	42.7	Very low	147 Å²	147	132.8 Å²	132.8	89%	0.891	74%	0.741	S	S	*	*			trans	-77.9	109.7	177.1	179.6	0	0	0	0	109.6	P92	P92-V94 PolarHBondContact O-N 3.35Å
95	A	37.3	Very low	40	Very low	84 Å²	84	134.2 Å²	134.2	69%	0.694	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-92.2	137.7	170.4	0	0	0	0	0	110.9	P93	P93-A95 PolarHBondContact O-N 2.9Å
96	P	41.3	Very low	37.6	Very low	128 Å²	128	141 Å²	141	83%	0.831	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-76	139.3	-177.8	30.9	-34.9	0	0	0	112
97	K	32.2	Very low	36	Very low	210 Å²	210	142.2 Å²	142.2	91%	0.913	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-94.6	133.3	169.8	-74	-172.6	175.2	-177.6	0	110.8
98	K	30.9	Very low	35	Very low	202 Å²	202	142.8 Å²	142.8	88%	0.878	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-89.7	154.6	163	-87.9	-176.8	171.3	-179.8	0	110.4
99	D	34	Very low	34.5	Very low	155 Å²	155	140.1 Å²	140.1	83%	0.829	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-64.3	146.2	168.8	-48.7	-89.2	0	0	0	112.3
100	N	27.8	Very low	34.2	Very low	146 Å²	146	143.8 Å²	143.8	78%	0.781	78%	0.782	S	S	*	*				-168.5	179.4	88.2	-144.5	-27.2	0	0	0	112
101	R	33.6	Very low	33.9	Very low	193 Å²	193	139.7 Å²	139.7	73%	0.728	78%	0.778	S	S	*	*			trans	-76.2	-177.2	-177.8	-51.9	148.4	55.8	96.3	4	112.1
102	T	33.8	Very low	33.9	Very low	99 Å²	99	142.8 Å²	142.8	61%	0.607	78%	0.783	S	S	*	*			cis	-159.9	176.3	14.2	-18.7	0	0	0	0	106.9
103	D	34.2	Very low	33.5	Very low	133 Å²	133	143.7 Å²	143.7	71%	0.711	79%	0.788	S	S	*	*			cis	-157.5	-146.8	3.2	-154.4	-64.7	0	0	0	107.8
104	L	33.5	Very low	32.8	Very low	144 Å²	144	142.8 Å²	142.8	75%	0.754	79%	0.785	S	S	*	*			trans	103.1	104.2	161.4	-71.4	138.4	0	0	0	119.2
105	I	37	Very low	32.3	Very low	144 Å²	144	142 Å²	142	74%	0.738	78%	0.78	S	S	*	*			trans	84.5	113.6	144.5	-56.6	166.3	0	0	0	118.4
106	K	31.1	Very low	31.8	Very low	179 Å²	179	142.7 Å²	142.7	78%	0.778	78%	0.78	S	S	*	*			trans	-87.1	152.2	155.5	-84	-178.9	171.2	179.6	0	110.7	V108	K106-V108 HydrophobicContact CD-CG2 4.15Å
107	P	34.5	Very low	31.2	Very low	126 Å²	126	144.6 Å²	144.6	82%	0.818	78%	0.778	S	S	*	*				-124.1	172.4	119.2	-1	22.1	0	0	0	113.7
108	V	30.2	Very low	31.2	Very low	122 Å²	122	141.8 Å²	141.8	74%	0.739	77%	0.768	S	S	*	*			trans	-151.1	143.8	-172.4	173.2	0	0	0	0	108.3	K106	K106-V108 HydrophobicContact CD-CG2 4.15Å
109	A	27.1	Very low	31.7	Very low	85 Å²	85	137.3 Å²	137.3	70%	0.702	76%	0.759	S	S	*	*			cis	-170.9	164.3	-25.1	0	0	0	0	0	107.1
110	I	29.3	Very low	31.5	Very low	181 Å²	181	136.9 Å²	136.9	93%	0.928	75%	0.752	S	S	*	*			trans	-141.4	159.6	176.8	-98.4	146.8	0	0	0	112.4
111	S	26.5	Very low	31.6	Very low	108 Å²	108	135.6 Å²	135.6	76%	0.755	75%	0.754	S	S	*	*			trans	-113.4	174.4	-152.4	55.4	0	0	0	0	116.5
112	H	35.2	Very low	31.5	Very low	175 Å²	175	135.2 Å²	135.2	81%	0.81	76%	0.761	S	S	*	*			trans	-65.1	159.6	173.7	-51.2	-91.7	0	0	0	114.3
113	P	31.1	Very low	31.1	Very low	130 Å²	130	135.7 Å²	135.7	84%	0.844	77%	0.767	S	S	*	*			trans	-80.5	178.9	165	35.2	-35.8	0	0	0	113.2
114	S	27.3	Very low	30.8	Very low	108 Å²	108	135.2 Å²	135.2	76%	0.755	77%	0.774	S	S	*	*			trans	-142.3	142.7	-144.9	58	0	0	0	0	118.8
115	V	31.6	Very low	30.8	Very low	129 Å²	129	132.8 Å²	132.8	78%	0.782	78%	0.775	S	S	*	*			trans	68.8	121.6	135.6	174.5	0	0	0	0	121.8
116	S	26.1	Very low	31.6	Very low	99 Å²	99	130.5 Å²	130.5	69%	0.692	77%	0.769	S	S	*	*				-160.2	143.1	128.4	-88.9	0	0	0	0	109.9
117	Q	27.4	Very low	31.8	Very low	169 Å²	169	130 Å²	130	79%	0.79	77%	0.769	S	S	*	*			cis	-148.3	-112	-8.8	-143.4	164.8	102	0	0	112.5
118	H	32.3	Very low	31.7	Very low	151 Å²	151	129.9 Å²	129.9	70%	0.699	76%	0.762	S	S	*	*			trans	-153.1	175.6	-176.1	-121.7	-138.4	0	0	0	109.5	Q120	H118-Q120 WeakPolarHBondContact CE1-CG 3.41Å; H118-Q120 PolarHBondContact CE1-OE1 3.05Å; H118-Q120 VanDerWaalsContact ND1-CD 3.34Å; H118-Q120 WeakPolarHBondContact ND1-CG 3.49Å; H118-Q120 PolarHBondContact ND1-OE1 3.39Å
119	P	42.1	Very low	32	Very low	108 Å²	108	132.8 Å²	132.8	70%	0.701	77%	0.765	S	S	*	*			cis	-130.4	-164.5	6	42.9	-26	0	0	0	113.3
120	Q	30	Very low	32.5	Very low	146 Å²	146	135 Å²	135	68%	0.682	77%	0.77	S	S	*	*			cis	-167.1	126.3	-44.6	-94.7	160.4	-126.5	0	0	109.9	H118	H118-Q120 WeakPolarHBondContact CE1-CG 3.41Å; H118-Q120 PolarHBondContact CE1-OE1 3.05Å; H118-Q120 VanDerWaalsContact ND1-CD 3.34Å; H118-Q120 WeakPolarHBondContact ND1-CG 3.49Å; H118-Q120 PolarHBondContact ND1-OE1 3.39Å
121	S	29.3	Very low	33	Very low	118 Å²	118	132.7 Å²	132.7	83%	0.825	77%	0.766	S	S	*	*			trans	-179.6	123	139	45	0	0	0	0	115.5
122	Q	31.5	Very low	33.7	Very low	185 Å²	185	138.7 Å²	138.7	86%	0.864	77%	0.772	S	S	*	*			trans	15.3	150.4	140.4	-62.4	178	-2.1	0	0	122.2
123	C	25.4	Very low	35.2	Very low	110 Å²	110	134.1 Å²	134.1	74%	0.743	76%	0.759	S	S	*	*			cis	-174.2	161.4	-17.7	-108.6	0	0	0	0	111.5
124	S	27.6	Very low	35.4	Very low	123 Å²	123	139.1 Å²	139.1	86%	0.86	76%	0.762	S	S	*	*			trans	76.9	153.7	155.1	-58.2	0	0	0	0	121.5
125	A	34.4	Very low	35.6	Very low	92 Å²	92	137.9 Å²	137.9	76%	0.76	77%	0.767	S	S	*	*			trans	-131.3	-145.3	178.4	0	0	0	0	0	108.3
126	P	53.4	Low	35.5	Very low	96 Å²	96	135.4 Å²	135.4	62%	0.623	77%	0.767	S	S	*	*			cis	-139.6	-161.1	-15.9	24.5	3.4	0	0	0	114.3
127	H	35.5	Very low	35.5	Very low	169 Å²	169	136.9 Å²	136.9	78%	0.782	78%	0.776	S	S	*	*			trans	90.2	157.1	158.9	-58.3	124.3	0	0	0	120.7
128	N	33.2	Very low	35.6	Very low	124 Å²	124	134.6 Å²	134.6	66%	0.663	78%	0.779	S	S	*	*			cis	-172.3	156.9	-36	-155.8	-5.4	0	0	0	112.4
129	K	36.3	Very low	35.6	Very low	182 Å²	182	133.1 Å²	133.1	79%	0.791	79%	0.785	S	S	*	*			trans	75.9	162.6	157.4	-76.2	161.2	-174.8	180	0	123.1
130	T	36.6	Very low	35.2	Very low	132 Å²	132	133 Å²	133	81%	0.81	79%	0.787	S	S	*	*			trans	-103.7	179	-166.4	33.5	0	0	0	0	113.3
131	P	41.1	Very low	36.3	Very low	132 Å²	132	130.6 Å²	130.6	86%	0.857	78%	0.784	S	S	*	*			cis	-153.1	-150.6	40.7	45.6	-20	0	0	0	119.9
132	R	40.5	Very low	36.4	Very low	234 Å²	234	133.8 Å²	133.8	88%	0.883	78%	0.784	S	S	*	*			trans	-99.6	-167.8	-164.7	-114.4	-169.2	166.2	-155.1	0.9	113.7
133	P	66.7	Low	36.3	Very low	80 Å²	80	130 Å²	130	52%	0.519	77%	0.773	S	S	.	*			cis	-141.3	-157.1	-36.8	38.8	-16.4	0	0	0	115.4
134	Y	35.6	Very low	36.4	Very low	234 Å²	234	130.2 Å²	130.2	92%	0.918	77%	0.771	S	S	*	*			trans	79	149.6	174.9	-55.8	-76.5	0	0	0	116.2
135	G	30.3	Very low	36.5	Very low	83 Å²	83	133.8 Å²	133.8	86%	0.856	77%	0.772	S	S	*	*			cis	-136.2	-152.1	-6.8	0	0	0	0	0	110.8
136	G	29.4	Very low	36.6	Very low	77 Å²	77	136.3 Å²	136.3	79%	0.794	77%	0.771	S	S	*	*			cis	-165.6	-160.1	2.6	0	0	0	0	0	111.6
137	C	26.5	Very low	36.1	Very low	130 Å²	130	137 Å²	137	88%	0.878	78%	0.776	S	S	*	*			trans	-140	174.5	-169.4	-61.9	0	0	0	0	116.9
138	S	30	Very low	36	Very low	121 Å²	121	134 Å²	134	85%	0.846	77%	0.774	S	S	*	*			trans	87.9	147.5	169.5	-56.6	0	0	0	0	117.2
139	S	32	Very low	36.9	Very low	119 Å²	119	133.8 Å²	133.8	83%	0.832	78%	0.779	S	S	*	*			cis	-156.3	170.9	-2	44.5	0	0	0	0	112.6
140	S	33.2	Very low	36.7	Very low	107 Å²	107	130.6 Å²	130.6	75%	0.748	78%	0.78	S	S	*	*			trans	-98.5	-169.4	176.9	62.4	0	0	0	0	112.1
141	P	54.1	Low	36.6	Very low	94 Å²	94	129.9 Å²	129.9	61%	0.61	78%	0.78	S	S	*	*			cis	-140.5	-156.2	4.3	38.8	-14.3	0	0	0	116.2
142	F	31.9	Very low	36.2	Very low	186 Å²	186	127.2 Å²	127.2	82%	0.816	77%	0.769	S	S	*	*			trans	80.1	152.7	172	-58.3	-68.2	0	0	0	118.6
143	T	27.6	Very low	35.9	Very low	106 Å²	106	125.8 Å²	125.8	65%	0.65	77%	0.769	S	S	*	*			cis	-167.2	129.1	-40.6	-109.5	0	0	0	0	112.5
144	T	27.5	Very low	34.4	Very low	114 Å²	114	128 Å²	128	70%	0.699	78%	0.782	S	S	*	*			trans	61.4	154.8	158.7	58.8	0	0	0	0	124
145	F	30.1	Very low	35.4	Very low	198 Å²	198	122.4 Å²	122.4	87%	0.868	77%	0.774	S	S	*	*			trans	88.4	115.2	156.8	-72.7	-68.5	0	0	0	122.8
146	I	36.9	Very low	35.5	Very low	144 Å²	144	123.3 Å²	123.3	74%	0.738	77%	0.773	S	S	*	*			trans	-104.2	144.5	160.1	-72.8	169	0	0	0	104.4
147	P	43.7	Very low	35.8	Very low	112 Å²	112	124.5 Å²	124.5	73%	0.727	77%	0.769	S	S	*	*				-150.9	140.1	59.2	34.5	-11	0	0	0	120.3
148	S	33.2	Very low	36.2	Very low	106 Å²	106	122.7 Å²	122.7	74%	0.741	76%	0.759	S	S	*	*				60	-178.7	121.3	-32	0	0	0	0	119.4
149	P	51.7	Low	36.6	Very low	118 Å²	118	124.2 Å²	124.2	77%	0.766	75%	0.752	S	S	*	*				-132.4	174.1	-123.4	33.1	-9.2	0	0	0	116.8
150	S	32.2	Very low	36.7	Very low	116 Å²	116	126.6 Å²	126.6	81%	0.811	75%	0.754	S	S	*	*			trans	-174.8	142.7	149.6	-90.2	0	0	0	0	116.8
151	S	35.1	Very low	36.7	Very low	116 Å²	116	124.8 Å²	124.8	81%	0.811	75%	0.752	S	S	*	*			trans	81.9	148.4	139.2	-66.9	0	0	0	0	124.4
152	A	31.9	Very low	36.7	Very low	77 Å²	77	126.6 Å²	126.6	64%	0.636	76%	0.764	S	S	*	*			trans	75.2	148.1	164.4	0	0	0	0	0	117.1
153	F	34.1	Very low	36.6	Very low	203 Å²	203	122.6 Å²	122.6	89%	0.89	77%	0.765	S	S	*	*			cis	-135.3	164.9	16.1	-80.2	-90.9	0	0	0	114.9
154	T	35.4	Very low	36.7	Very low	126 Å²	126	123.1 Å²	123.1	77%	0.773	77%	0.773	S	S	*	*			trans	-105.5	-157.1	162.7	59.8	0	0	0	0	108.3
155	P	56.9	Low	36.8	Very low	118 Å²	118	122.5 Å²	122.5	77%	0.766	77%	0.773	S	S	*	*			cis	-132.1	-176.3	-20.9	40.8	-24.8	0	0	0	113.5
156	A	31.4	Very low	36.8	Very low	101 Å²	101	117.8 Å²	117.8	84%	0.835	77%	0.765	S	S	*	*			trans	-172	146.6	133.7	0	0	0	0	0	113.7
157	S	36.1	Very low	36.5	Very low	102 Å²	102	115.9 Å²	115.9	71%	0.713	76%	0.764	S	S	*	*			trans	-47.7	166.3	177.7	-48.8	0	0	0	0	116.8
158	S	34.8	Very low	36	Very low	93 Å²	93	116 Å²	116	65%	0.65	77%	0.767	S	S	*	*				-166.2	145.6	51.8	-76.2	0	0	0	0	117.8
159	H	37.9	Very low	36.1	Very low	152 Å²	152	119.7 Å²	119.7	70%	0.704	77%	0.773	S	S	*	*			trans	-5.6	155	148.1	12.7	-82.6	0	0	0	120.2
160	I	34.8	Very low	35.8	Very low	170 Å²	170	120.3 Å²	120.3	87%	0.872	78%	0.777	S	S	*	*			cis	-160.4	161.5	26.8	-108.6	145.1	0	0	0	110.4
161	G	34.1	Very low	36.3	Very low	69 Å²	69	120.6 Å²	120.6	71%	0.711	77%	0.773	S	S	*	*			trans	127.2	127.1	146.4	0	0	0	0	0	119
162	P	52.6	Low	35.9	Very low	132 Å²	132	123.4 Å²	123.4	86%	0.857	78%	0.779	S	S	*	*			trans	-123.6	160.6	-177.5	41.5	-30.7	0	0	0	116.4
163	A	29.8	Very low	36.1	Very low	102 Å²	102	125.7 Å²	125.7	84%	0.843	78%	0.784	S	S	*	*			trans	-169.6	152.2	144.6	0	0	0	0	0	114.2
164	S	30.7	Very low	36.4	Very low	117 Å²	117	120 Å²	120	82%	0.818	78%	0.775	S	S	*	*			trans	-77.3	177.8	169.8	-25.8	0	0	0	0	111.9
165	S	29.5	Very low	36.4	Very low	101 Å²	101	120.3 Å²	120.3	71%	0.706	78%	0.779	S	S	*	*			cis	-164.8	169.7	5.8	46.6	0	0	0	0	112.4
166	S	29.5	Very low	35.7	Very low	98 Å²	98	123 Å²	123	69%	0.685	78%	0.781	S	S	*	*			trans	69.4	120.9	140.6	57.6	0	0	0	0	123.9
167	S	31.6	Very low	36.1	Very low	104 Å²	104	123.9 Å²	123.9	73%	0.727	78%	0.778	S	S	*	*				84.8	131.3	128.8	59.2	0	0	0	0	124.8
168	S	32.7	Very low	36	Very low	114 Å²	114	124.4 Å²	124.4	80%	0.797	78%	0.782	S	S	*	*			trans	72.7	122.5	145	47.6	0	0	0	0	122.9
169	H	35.9	Very low	36	Very low	184 Å²	184	125.6 Å²	125.6	85%	0.852	79%	0.785	S	S	*	*			trans	-75.5	159.1	153.3	-70.3	-86.9	0	0	0	111
170	P	45.3	Very low	35.6	Very low	132 Å²	132	128.3 Å²	128.3	86%	0.857	79%	0.791	S	S	*	*				-143	-165.3	87.3	37.3	-18.5	0	0	0	115.4
171	V	41.5	Very low	35.5	Very low	121 Å²	121	127.2 Å²	127.2	73%	0.733	79%	0.787	S	S	*	*			trans	-102.2	149.6	-161.4	173.8	0	0	0	0	114.1	V173	V171-V173 HydrophobicContact CG1-CG2 3.94Å
172	L	27.7	Very low	35.6	Very low	176 Å²	176	130.3 Å²	130.3	92%	0.921	79%	0.792	S	S	*	*			trans	-148	161.6	152	-88.5	-171.7	0	0	0	112.8
173	V	35.6	Very low	34.9	Very low	125 Å²	125	130.1 Å²	130.1	76%	0.758	79%	0.79	S	S	*	*			trans	-154.9	157.8	-160.9	176.6	0	0	0	0	110.1	V171	V171-V173 HydrophobicContact CG1-CG2 3.94Å
174	A	40.3	Very low	35.4	Very low	83 Å²	83	132.3 Å²	132.3	69%	0.686	79%	0.787	S	S	*	*			cis	-177.2	143.8	-41.5	0	0	0	0	0	108.7
175	P	35.5	Very low	36.2	Very low	133 Å²	133	133.7 Å²	133.7	86%	0.864	79%	0.785	S	S	*	*			trans	-101	154.6	-178.7	36.7	-31.8	0	0	0	115.7
176	Q	42.2	Very low	37	Very low	174 Å²	174	135 Å²	135	81%	0.813	78%	0.783	S	S	*	*			trans	-115.6	156.6	178.2	-72.3	-80.5	-0.5	0	0	110.3
177	P	41	Very low	37.7	Very low	119 Å²	119	141 Å²	141	77%	0.773	79%	0.792	S	S	*	*				-145.8	179.2	92.2	42.3	-26	0	0	0	112.8
178	S	33.4	Very low	39.1	Very low	114 Å²	114	137.8 Å²	137.8	80%	0.797	77%	0.77	S	S	*	*			cis	-148	-176.7	18.1	61.9	0	0	0	0	112.4
179	V	35.1	Very low	40.2	Very low	117 Å²	117	138.8 Å²	138.8	71%	0.709	77%	0.771	S	S	*	*			trans	-115.7	143.5	-157.1	-174.4	0	0	0	0	111.9
180	Y	29.6	Very low	41.5	Very low	210 Å²	210	137.2 Å²	137.2	82%	0.824	76%	0.764	S	S	*	*				-176.9	151.8	108.7	-107	-80.4	0	0	0	115.9
181	N	31.6	Very low	41.8	Very low	147 Å²	147	135 Å²	135	79%	0.786	75%	0.745	S	S	*	*			trans	68.3	84.6	171.5	-70.2	-22.4	0	0	0	118.8
182	T	37.3	Very low	42.9	Very low	134 Å²	134	132.3 Å²	132.3	82%	0.822	74%	0.736	S	S	*	*			trans	-120.8	139.3	151.3	49.4	0	0	0	0	109.7
183	P	37.5	Very low	44.3	Very low	127 Å²	127	127.1 Å²	127.1	83%	0.825	71%	0.713	S	S	*	*			trans	-74.2	168.3	176.1	31	-34.8	0	0	0	112.5
184	I	40.4	Very low	45.6	Very low	149 Å²	149	126.8 Å²	126.8	76%	0.764	70%	0.704	S	S	*	*			trans	-63.7	148.4	-170.6	-115.1	167.3	0	0	0	113.5	L186	I184-L186 VanDerWaalsContact C-N 3.33Å; I184-L186 HydrophobicContact CG2-CD1 3.93Å; I184-L186 HydrophobicContact CG2-CG 3.75Å; I184-L186 PolarHBondContact O-N 3.03Å
185	N	47.4	Very low	46.9	Very low	145 Å²	145	127.6 Å²	127.6	78%	0.775	70%	0.7	S	S	*	*			trans	-82	69.8	-169.2	-150.6	-10.4	0	0	0	112.6	Y187	N185-Y187 VanDerWaalsContact C-N 3.34Å; N185-Y187 PolarHBondContact O-N 3Å
186	L	45.9	Very low	48.2	Very low	129 Å²	129	123.1 Å²	123.1	68%	0.675	67%	0.674	S	S	*	*			trans	-79.9	-2.1	-171.5	-96	162.6	0	0	0	116.1	I184	I184-L186 VanDerWaalsContact C-N 3.33Å; I184-L186 HydrophobicContact CG2-CD1 3.93Å; I184-L186 HydrophobicContact CG2-CG 3.75Å; I184-L186 PolarHBondContact O-N 3.03Å
187	Y	44.6	Very low	49.2	Very low	223 Å²	223	120 Å²	120	88%	0.875	66%	0.661	S	S	*	*			trans	-125.8	50.4	-178.5	-65.9	-71.3	0	0	0	112.4	N185	N185-Y187 VanDerWaalsContact C-N 3.34Å; N185-Y187 PolarHBondContact O-N 3Å
188	S	61.2	Low	50.3	Low	38 Å²	38	116.5 Å²	116.5	27%	0.266	65%	0.647	S	S	.	*			trans	-65.4	147.8	161.5	84.4	0	0	0	0	109.9	E190 N191 A192	S188-E190 PolarHBondContact O-N 3.4Å; S188-E190 PolarHBondContact OG-N 3.49Å; S188-N191 PolarHBondContact OG-N 2.9Å; S188-N191 PolarHBondContact OG-OD1 3.12Å; S188-A192 PolarHBondContact O-N 3.16Å
189	T	54.5	Low	51.4	Low	134 Å²	134	118.5 Å²	118.5	82%	0.822	64%	0.644	S	S	*	*	H	α-helix	trans	-65.7	-15.5	172.2	45.3	0	0	0	0	112.8	C193	T189-C193 PolarHBondContact O-N 3.11Å
190	E	63.3	Low	52.2	Low	151 Å²	151	122 Å²	122	71%	0.706	64%	0.644	S	S	*	*	H	α-helix	trans	-84.4	-50.3	-176.2	-163	146.6	-145.4	0	0	111.1	S188 A192 C193 E194	S188-E190 PolarHBondContact O-N 3.4Å; S188-E190 PolarHBondContact OG-N 3.49Å; E190-A192 VanDerWaalsContact C-N 3.27Å; E190-A192 PolarHBondContact O-N 3.23Å; E190-C193 WeakPolarHBondContact O-CA 3.39Å; E190-C193 VanDerWaalsContact O-CB 3.29Å; E190-C193 WeakPolarHBondContact O-CB 3.49Å; E190-C193 PolarHBondContact O-N 2.83Å; E190-E194 PolarHBondContact O-N 3.02Å
191	N	52.6	Low	53.3	Low	86 Å²	86	122.2 Å²	122.2	46%	0.46	64%	0.643	S	S	.	*	H	α-helix	trans	-60.1	-37.1	173.2	-69.9	100.3	0	0	0	112	S188 C193 E194 V195	S188-N191 PolarHBondContact OG-N 2.9Å; S188-N191 PolarHBondContact OG-OD1 3.12Å; N191-C193 VanDerWaalsContact C-N 3.26Å; N191-C193 PolarHBondContact O-N 3.37Å; N191-E194 PolarHBondContact O-N 2.95Å; N191-V195 WeakPolarHBondContact O-CG2 3.46Å; N191-V195 PolarHBondContact O-N 3.47Å; N191-V195 VanDerWaalsContact O-N 3.16Å
192	A	63.4	Low	54.1	Low	64 Å²	64	118.5 Å²	118.5	53%	0.529	64%	0.64	S	S	.	*	H	α-helix	trans	-63	-32.8	173.8	0	0	0	0	0	112.5	S188 E190 A196	S188-A192 PolarHBondContact O-N 3.16Å; E190-A192 VanDerWaalsContact C-N 3.27Å; E190-A192 PolarHBondContact O-N 3.23Å; A192-A196 WeakPolarHBondContact O-CB 3.42Å; A192-A196 PolarHBondContact O-N 2.9Å
193	C	57.5	Low	54.4	Low	67 Å²	67	119 Å²	119	45%	0.453	64%	0.637	S	S	.	*	H	α-helix	trans	-75	-42.1	176.3	-159.6	0	0	0	0	111.5	T189 E190 N191 V195 A196 M197	T189-C193 PolarHBondContact O-N 3.11Å; E190-C193 WeakPolarHBondContact O-CA 3.39Å; E190-C193 VanDerWaalsContact O-CB 3.29Å; E190-C193 WeakPolarHBondContact O-CB 3.49Å; E190-C193 PolarHBondContact O-N 2.83Å; N191-C193 VanDerWaalsContact C-N 3.26Å; N191-C193 PolarHBondContact O-N 3.37Å; C193-V195 PolarHBondContact O-N 2.95Å; C193-A196 CarbonylContact O-C 3.58Å; C193-A196 PolarHBondContact O-N 3.16Å; C193-M197 HydrophobicContact CB-CE 4.46Å; C193-M197 WeakPolarHBondContact O-CG 3.25Å; C193-M197 PolarHBondContact O-N 3.37Å
194	E	64.4	Low	54.6	Low	118 Å²	118	120.6 Å²	120.6	55%	0.551	64%	0.637	S	S	*	*	H	α-helix	trans	-57.8	-48	176.3	-69.8	-169.3	123.1	0	0	112.4	E190 N191 A196 M197 G198	E190-E194 PolarHBondContact O-N 3.02Å; N191-E194 PolarHBondContact O-N 2.95Å; E194-A196 VanDerWaalsContact C-N 3.32Å; E194-A196 PolarHBondContact O-N 2.93Å; E194-M197 PolarHBondContact O-N 2.83Å; E194-M197 VanDerWaalsContact O-N 3.1Å; E194-G198 PolarHBondContact O-N 2.99Å
195	V	66.5	Low	54.7	Low	100 Å²	100	122.4 Å²	122.4	61%	0.606	64%	0.643	S	S	*	*	H	α-helix	trans	-61.3	-41.6	177.3	175.7	0	0	0	0	111.1	N191 C193 M197 G198 Q199	N191-V195 WeakPolarHBondContact O-CG2 3.46Å; N191-V195 PolarHBondContact O-N 3.47Å; N191-V195 VanDerWaalsContact O-N 3.16Å; C193-V195 PolarHBondContact O-N 2.95Å; V195-M197 PolarHBondContact O-N 2.82Å; V195-G198 PolarHBondContact O-N 3.44Å; V195-Q199 PolarHBondContact O-N 2.99Å
196	A	63.5	Low	54.6	Low	39 Å²	39	120 Å²	120	32%	0.322	64%	0.637	S	S	.	*	H	α-helix	trans	-70.8	-14	177.3	0	0	0	0	0	114.3	A192 C193 E194 R200	A192-A196 WeakPolarHBondContact O-CB 3.42Å; A192-A196 PolarHBondContact O-N 2.9Å; C193-A196 CarbonylContact O-C 3.58Å; C193-A196 PolarHBondContact O-N 3.16Å; E194-A196 VanDerWaalsContact C-N 3.32Å; E194-A196 PolarHBondContact O-N 2.93Å; A196-R200 WeakPolarHBondContact O-CG 3.34Å; A196-R200 PolarHBondContact O-NE 2.93Å
197	M	63.5	Low	54	Low	108 Å²	108	122.8 Å²	122.8	53%	0.532	65%	0.647	S	S	.	*	H	α-helix	trans	-94	-37.8	170.1	-71.9	-172.1	-72.3	0	0	112.1	C193 E194 V195 Q199 R200 R201	C193-M197 HydrophobicContact CB-CE 4.46Å; C193-M197 WeakPolarHBondContact O-CG 3.25Å; C193-M197 PolarHBondContact O-N 3.37Å; E194-M197 PolarHBondContact O-N 2.83Å; E194-M197 VanDerWaalsContact O-N 3.1Å; V195-M197 PolarHBondContact O-N 2.82Å; M197-Q199 VanDerWaalsContact C-N 3.35Å; M197-Q199 PolarHBondContact O-N 2.79Å; M197-R200 WeakPolarHBondContact O-CB 3.47Å; M197-R200 PolarHBondContact O-N 3.44Å; M197-R201 PolarHBondContact O-N 3.45Å
198	G	63.8	Low	53.4	Low	47 Å²	47	116.2 Å²	116.2	49%	0.485	65%	0.647	S	S	.	*	H	α-helix	trans	-56.4	-45.8	176.8	0	0	0	0	0	112.6	E194 V195 R200 R201	E194-G198 PolarHBondContact O-N 2.99Å; V195-G198 PolarHBondContact O-N 3.44Å; G198-R200 PolarHBondContact O-N 3.21Å; G198-R200 VanDerWaalsContact O-N 3.16Å; G198-R201 PolarHBondContact O-N 3.45Å; G198-R201 VanDerWaalsContact O-N 3.12Å
199	Q	55.8	Low	51.9	Low	156 Å²	156	118.1 Å²	118.1	73%	0.729	67%	0.673	S	S	*	*	H	α-helix	trans	-59.6	-25.6	175.9	-72.6	-176.5	-28.2	0	0	114	V195 M197	V195-Q199 PolarHBondContact O-N 2.99Å; M197-Q199 VanDerWaalsContact C-N 3.35Å; M197-Q199 PolarHBondContact O-N 2.79Å
200	R	52.2	Low	50.7	Low	190 Å²	190	116.9 Å²	116.9	72%	0.717	68%	0.676	S	S	*	*	H	α-helix	trans	-81	-24	179.2	-56.2	-179.2	-160.5	-148.2	0.5	112.8	A196 M197 G198	A196-R200 WeakPolarHBondContact O-CG 3.34Å; A196-R200 PolarHBondContact O-NE 2.93Å; M197-R200 WeakPolarHBondContact O-CB 3.47Å; M197-R200 PolarHBondContact O-N 3.44Å; G198-R200 PolarHBondContact O-N 3.21Å; G198-R200 VanDerWaalsContact O-N 3.16Å
201	R	51.6	Low	49.2	Very low	214 Å²	214	117.8 Å²	117.8	81%	0.808	69%	0.685	S	S	*	*	H	α-helix	trans	-71.4	-36.3	177.6	-171.7	176.1	-71.7	-126.6	2.2	111.7	M197 G198 L203	M197-R201 PolarHBondContact O-N 3.45Å; G198-R201 PolarHBondContact O-N 3.45Å; G198-R201 VanDerWaalsContact O-N 3.12Å; R201-L203 PolarHBondContact O-N 3.28Å
202	G	48.5	Very low	49	Very low	70 Å²	70	119 Å²	119	72%	0.722	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-2.6	-178.2	0	0	0	0	0	116.3
203	L	44.4	Very low	47.5	Very low	144 Å²	144	125.2 Å²	125.2	75%	0.754	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	-5.3	-178.8	-169.9	56.6	0	0	0	113.5	R201	R201-L203 PolarHBondContact O-N 3.28Å
204	L	40.9	Very low	46.1	Very low	160 Å²	160	131 Å²	131	84%	0.838	73%	0.733	S	S	*	*	S	Bend	trans	-104.9	9.8	-168.4	-147.2	111.5	0	0	0	115.2
205	E	43.8	Very low	44.4	Very low	187 Å²	187	132.8 Å²	132.8	87%	0.874	75%	0.746	S	S	*	*	S	Bend	trans	-112.5	23.1	-171.7	-151.1	163.9	-172.7	0	0	113.6
206	S	44.9	Very low	42.6	Very low	94 Å²	94	131.6 Å²	131.6	66%	0.657	75%	0.754	S	S	*	*	S	Bend	trans	-136.5	34.7	-176.1	73	0	0	0	0	115.6
207	Q	33.9	Very low	40.9	Very low	189 Å²	189	137.7 Å²	137.7	88%	0.883	78%	0.78	S	S	*	*			trans	-148.3	91.6	168	-148.3	87.7	86.7	0	0	113.1	G209	Q207-G209 PolarHBondContact O-N 3.09Å
208	G	30.7	Very low	40.5	Very low	85 Å²	85	136.9 Å²	136.9	88%	0.876	78%	0.783	S	S	*	*			trans	-85.4	106.6	174.8	0	0	0	0	0	113.5
209	G	30.7	Very low	38.9	Very low	78 Å²	78	144.6 Å²	144.6	80%	0.804	80%	0.797	S	S	*	*			trans	60.7	105.3	146.5	0	0	0	0	0	121.1	Q207	Q207-G209 PolarHBondContact O-N 3.09Å
210	A	29.6	Very low	37.6	Very low	107 Å²	107	145.5 Å²	145.5	88%	0.884	80%	0.799	S	S	*	*			trans	-153.8	152.1	146.1	0	0	0	0	0	110.6
211	L	30.9	Very low	36.7	Very low	171 Å²	171	144.2 Å²	144.2	90%	0.895	80%	0.8	S	S	*	*			trans	-93.2	160.3	-178.6	-84.6	165.8	0	0	0	112.8
212	P	48.2	Very low	35.8	Very low	112 Å²	112	140.4 Å²	140.4	73%	0.727	80%	0.801	S	S	*	*			trans	-100.9	161.2	-163.9	38.8	-36.7	0	0	0	115.2
213	Q	31.3	Very low	35.5	Very low	194 Å²	194	142.2 Å²	142.2	91%	0.907	80%	0.798	S	S	*	*			trans	-153.6	123.8	154.2	-118.1	167.4	15.8	0	0	115.6
214	F	28.4	Very low	34.8	Very low	187 Å²	187	142.4 Å²	142.4	82%	0.82	80%	0.799	S	S	*	*			trans	12.9	148.6	151.6	-97.9	-113.9	0	0	0	125.2
215	N	29.6	Very low	34.5	Very low	156 Å²	156	139.8 Å²	139.8	83%	0.834	79%	0.79	S	S	*	*			trans	75.8	139.2	150.3	-77.8	-16.4	0	0	0	121.5
216	G	28.2	Very low	33.8	Very low	75 Å²	75	137.3 Å²	137.3	77%	0.773	78%	0.783	S	S	*	*			trans	138	110.3	157.3	0	0	0	0	0	115.1
217	I	28.7	Very low	33.7	Very low	167 Å²	167	139.6 Å²	139.6	86%	0.856	79%	0.786	S	S	*	*			trans	-116.3	173.4	167.9	-17.2	178.9	0	0	0	109.2
218	P	53.3	Low	33.6	Very low	92 Å²	92	138 Å²	138	60%	0.597	78%	0.779	S	S	*	*				-110.3	177.3	-105.7	39	-25.1	0	0	0	114
219	R	30.3	Very low	33.7	Very low	209 Å²	209	143.1 Å²	143.1	79%	0.789	78%	0.777	S	S	*	*				172.7	145.6	122.7	-94.8	161.9	-174.6	117.2	-3.1	116.8
220	K	29.2	Very low	33.9	Very low	175 Å²	175	150.9 Å²	150.9	76%	0.761	78%	0.784	S	S	*	*			trans	58	110	138.4	-65.7	175	177.6	-169.6	0	121.2
221	H	33.9	Very low	34.2	Very low	162 Å²	162	154.1 Å²	154.1	75%	0.75	78%	0.78	S	S	*	*				34.4	105.2	108.8	-170.4	-74.6	0	0	0	117.9
222	V	32.3	Very low	34.5	Very low	134 Å²	134	152 Å²	152	81%	0.812	77%	0.774	S	S	*	*			trans	-118.3	136.7	154.3	173.1	0	0	0	0	107.4
223	V	41.5	Very low	34.1	Very low	109 Å²	109	151.8 Å²	151.8	66%	0.661	77%	0.773	S	S	*	*			trans	-109.5	129.7	162.4	166.9	0	0	0	0	105.8
224	D	30.4	Very low	34.9	Very low	147 Å²	147	148.3 Å²	148.3	79%	0.786	77%	0.77	S	S	*	*			trans	-150.7	-177.4	148.7	-141.5	-29.4	0	0	0	110.3
225	T	34.4	Very low	35.6	Very low	105 Å²	105	147.2 Å²	147.2	64%	0.644	77%	0.767	S	S	*	*			trans	-123.3	-178.1	-141	-36.1	0	0	0	0	112.2
226	D	30.1	Very low	36.5	Very low	135 Å²	135	143 Å²	143	72%	0.722	75%	0.753	S	S	*	*			trans	77.9	98.2	162.8	-67.9	-17.5	0	0	0	120.5
227	I	42.2	Very low	37.4	Very low	142 Å²	142	143.7 Å²	143.7	73%	0.728	74%	0.74	S	S	*	*			trans	30.9	115.1	132.7	47.2	166.8	0	0	0	120
228	H	31.1	Very low	38.3	Very low	157 Å²	157	138.5 Å²	138.5	73%	0.727	72%	0.722	S	S	*	*				-166.8	149.6	114.3	-103	-67.6	0	0	0	113.1
229	F	33.4	Very low	38.1	Very low	192 Å²	192	137.5 Å²	137.5	84%	0.842	72%	0.717	S	S	*	*			trans	26.9	104.3	164.1	-67.2	-78.9	0	0	0	119.8	H231	F229-H231 PolarHBondContact O-N 3.15Å
230	Y	34.3	Very low	39.2	Very low	240 Å²	240	135.8 Å²	135.8	94%	0.941	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-80.7	117.4	167.5	-96.4	-80.2	0	0	0	113.3
231	H	36.1	Very low	40.3	Very low	175 Å²	175	134 Å²	134	81%	0.81	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-82.9	145.3	166	-143.9	-83.1	0	0	0	110.1	F229	F229-H231 PolarHBondContact O-N 3.15Å
232	V	37.1	Very low	41.3	Very low	126 Å²	126	134.5 Å²	134.5	76%	0.764	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-79.4	129.5	177.5	-179.5	0	0	0	0	110.7	S234	V232-S234 PolarHBondContact O-N 3.04Å
233	P	40.3	Very low	42.1	Very low	109 Å²	109	133.4 Å²	133.4	71%	0.708	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-71.4	120.7	177.7	-22.1	35	0	0	0	114	H235	P233-H235 PolarHBondContact O-N 3.45Å
234	S	48.3	Very low	42.4	Very low	120 Å²	120	133.9 Å²	133.9	84%	0.839	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	25.7	-170	-167.2	0	0	0	0	116.6	V232	V232-S234 PolarHBondContact O-N 3.04Å
235	H	43.7	Very low	43.2	Very low	165 Å²	165	133.5 Å²	133.5	76%	0.764	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.1	-3.3	-175.3	-154.9	-90.6	0	0	0	114.6	P233	P233-H235 PolarHBondContact O-N 3.45Å
236	A	47.2	Very low	43.8	Very low	66 Å²	66	133.6 Å²	133.6	55%	0.545	67%	0.673	S	S	.	*	S	Bend	trans	-77.3	-33.3	178.8	0	0	0	0	0	113.6	R240	A236-R240 PolarHBondContact O-N 3.48Å
237	D	48.4	Very low	44.9	Very low	91 Å²	91	131.7 Å²	131.7	49%	0.487	67%	0.666	S	S	.	*	H	α-helix	trans	-69.9	-34	-172.5	-89.7	-63.1	0	0	0	114.7	S239 R240 K241	D237-S239 PolarHBondContact O-N 2.98Å; D237-R240 PolarHBondContact O-N 3.37Å; D237-R240 VanDerWaalsContact O-N 3.14Å; D237-K241 WeakPolarHBondContact O-CG 3.45Å; D237-K241 PolarHBondContact O-N 3.43Å
238	A	46.8	Very low	45.2	Very low	58 Å²	58	132.1 Å²	132.1	48%	0.479	67%	0.665	S	S	.	*	H	α-helix	trans	-69.6	-16.9	-176.5	0	0	0	0	0	113.9
239	S	49.8	Very low	45.9	Very low	70 Å²	70	128.3 Å²	128.3	49%	0.49	65%	0.65	S	S	.	*	H	α-helix	trans	-86.9	-46.3	167.5	177.7	0	0	0	0	110.7	D237 K241 R242 I243	D237-S239 PolarHBondContact O-N 2.98Å; S239-K241 PolarHBondContact O-N 3.35Å; S239-R242 PolarHBondContact O-N 3.37Å; S239-I243 PolarHBondContact O-N 2.83Å
240	R	51.8	Low	46.6	Very low	174 Å²	174	128.7 Å²	128.7	66%	0.657	65%	0.646	S	S	*	*	H	α-helix	trans	-60.3	-42.6	-176.8	-157.5	176.6	-149	131.2	6.7	113.3	A236 D237 I243 M244	A236-R240 PolarHBondContact O-N 3.48Å; D237-R240 PolarHBondContact O-N 3.37Å; D237-R240 VanDerWaalsContact O-N 3.14Å; R240-I243 PolarHBondContact O-N 3.47Å; R240-M244 PolarHBondContact O-N 2.96Å
241	K	53.6	Low	47.4	Very low	136 Å²	136	127.5 Å²	127.5	59%	0.591	64%	0.64	S	S	*	*	H	α-helix	trans	-65.1	-42.5	178.8	-71.4	-176.2	177.8	-176.2	0	112.7	D237 S239 I243 M244 E245	D237-K241 WeakPolarHBondContact O-CG 3.45Å; D237-K241 PolarHBondContact O-N 3.43Å; S239-K241 PolarHBondContact O-N 3.35Å; K241-I243 VanDerWaalsContact C-N 3.29Å; K241-I243 PolarHBondContact O-N 3.27Å; K241-M244 PolarHBondContact O-N 3.25Å; K241-M244 VanDerWaalsContact O-N 3.14Å; K241-E245 WeakPolarHBondContact O-CB 3.39Å; K241-E245 PolarHBondContact O-N 3.01Å
242	R	55.1	Low	47.7	Very low	173 Å²	173	125.1 Å²	125.1	65%	0.653	64%	0.64	S	S	*	*	H	α-helix	trans	-61.5	-37.2	179.1	-128.9	-176.6	-57.5	-168.3	1.8	112.6	S239 E245 D246	S239-R242 PolarHBondContact O-N 3.37Å; R242-E245 PolarHBondContact O-N 3.2Å; R242-D246 PolarHBondContact O-N 2.83Å
243	I	49.3	Very low	47.9	Very low	112 Å²	112	129 Å²	129	57%	0.574	64%	0.641	S	S	*	*	H	α-helix	trans	-71.6	-34.5	177.4	-65.5	168.9	0	0	0	111.4	S239 R240 K241 T247	S239-I243 PolarHBondContact O-N 2.83Å; R240-I243 PolarHBondContact O-N 3.47Å; K241-I243 VanDerWaalsContact C-N 3.29Å; K241-I243 PolarHBondContact O-N 3.27Å; I243-T247 PolarHBondContact O-OG1 2.78Å
244	M	46.8	Very low	47.9	Very low	118 Å²	118	131 Å²	131	58%	0.581	65%	0.651	S	S	*	*	H	α-helix	trans	-68.3	-42.6	172.3	-74.6	173.7	55.8	0	0	112.1	R240 K241 D246 T247 E248	R240-M244 PolarHBondContact O-N 2.96Å; K241-M244 PolarHBondContact O-N 3.25Å; K241-M244 VanDerWaalsContact O-N 3.14Å; M244-D246 PolarHBondContact O-N 2.93Å; M244-T247 WeakPolarHBondContact O-CA 3.37Å; M244-T247 VanDerWaalsContact O-CB 3.27Å; M244-T247 WeakPolarHBondContact O-CB 3.38Å; M244-T247 PolarHBondContact O-N 3.22Å; M244-E248 PolarHBondContact O-N 3.44Å
245	E	47.6	Very low	48.2	Very low	139 Å²	139	129 Å²	129	65%	0.65	65%	0.65	S	S	*	*	H	α-helix	trans	-63.6	-41.9	-175.7	-161.7	166.3	-172.5	0	0	112.3	K241 R242 T247 E248	K241-E245 WeakPolarHBondContact O-CB 3.39Å; K241-E245 PolarHBondContact O-N 3.01Å; R242-E245 PolarHBondContact O-N 3.2Å; E245-T247 PolarHBondContact O-N 2.92Å; E245-E248 PolarHBondContact O-N 3.01Å
246	D	47.5	Very low	48.8	Very low	108 Å²	108	125.3 Å²	125.3	58%	0.578	64%	0.639	S	S	*	*	H	α-helix	trans	-67.9	-8.5	171	-91.5	-27.2	0	0	0	114.1	R242 M244 W250	R242-D246 PolarHBondContact O-N 2.83Å; M244-D246 PolarHBondContact O-N 2.93Å; D246-W250 PolarHBondContact O-NE1 2.88Å
247	T	52.6	Low	48.8	Very low	95 Å²	95	129.7 Å²	129.7	58%	0.583	66%	0.659	S	S	*	*	H	α-helix	trans	-95.4	-16.1	178.3	-54.1	0	0	0	0	112.8	I243 M244 E245	I243-T247 PolarHBondContact O-OG1 2.78Å; M244-T247 WeakPolarHBondContact O-CA 3.37Å; M244-T247 VanDerWaalsContact O-CB 3.27Å; M244-T247 WeakPolarHBondContact O-CB 3.38Å; M244-T247 PolarHBondContact O-N 3.22Å; E245-T247 PolarHBondContact O-N 2.92Å
248	E	48.9	Very low	49.2	Very low	151 Å²	151	129.4 Å²	129.4	71%	0.706	66%	0.655	S	S	*	*	H	α-helix	trans	-86.5	-21.1	-178	-64.3	-169.4	131.5	0	0	113.7	M244 E245 W250	M244-E248 PolarHBondContact O-N 3.44Å; E245-E248 PolarHBondContact O-N 3.01Å; E248-W250 VanDerWaalsContact C-N 3.29Å; E248-W250 PolarHBondContact O-N 2.95Å
249	D	45.4	Very low	50	Low	77 Å²	77	129.5 Å²	129.5	41%	0.412	65%	0.652	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.4	11.2	-169.4	-147.4	37	0	0	0	114.8	R251 R260	D249-R251 VanDerWaalsContact C-N 3.31Å; D249-R251 PolarHBondContact O-N 2.92Å; D249-R260 WeakPolarHBondContact OD2-CD 3.42Å; D249-R260 IonicContact OD2-CZ 3.76Å; D249-R260 IonicContact OD2-NE 2.86Å; D249-R260 PolarHBondContact OD2-NE 2.85Å; D249-R260 IonicContact OD2-NH1 3.98Å; D249-R260 PolarHBondContact OD2-NH1 3.25Å
250	W	48.1	Very low	50.5	Low	199 Å²	199	132.7 Å²	132.7	75%	0.754	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-1.3	-178.4	-67.1	81.3	0	0	0	114.5	D246 E248	D246-W250 PolarHBondContact O-NE1 2.88Å; E248-W250 VanDerWaalsContact C-N 3.29Å; E248-W250 PolarHBondContact O-N 2.95Å
251	R	52.2	Low	50.9	Low	216 Å²	216	127.2 Å²	127.2	82%	0.815	64%	0.641	S	S	*	*	S	Bend	trans	-85.4	124.1	179.2	-68.2	-175.5	178.6	-121	0.3	111.4	D249 R253	D249-R251 VanDerWaalsContact C-N 3.31Å; D249-R251 PolarHBondContact O-N 2.92Å; R251-R253 PolarHBondContact O-N 2.84Å
252	P	41.4	Very low	51.2	Low	124 Å²	124	126.9 Å²	126.9	81%	0.805	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-59.7	126.4	168.5	-20.7	32.5	0	0	0	110.5
253	R	41.3	Very low	51.9	Low	208 Å²	208	125.1 Å²	125.1	79%	0.785	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-83.2	133.5	168.9	-69.7	-168	-175.7	-106.6	1.5	109.6	R251 G255	R251-R253 PolarHBondContact O-N 2.84Å; R253-G255 PolarHBondContact O-N 3.37Å; R253-G255 VanDerWaalsContact O-N 3.13Å
254	T	39.6	Very low	52.8	Low	151 Å²	151	123.3 Å²	123.3	93%	0.926	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	111.6	178.2	47.8	0	0	0	0	110.8
255	G	54.8	Low	53.6	Low	79 Å²	79	122.5 Å²	122.5	81%	0.814	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	140.9	-21.3	176	0	0	0	0	0	115	R253	R253-G255 PolarHBondContact O-N 3.37Å; R253-G255 VanDerWaalsContact O-N 3.13Å
256	T	56.6	Low	54.7	Low	86 Å²	86	116.7 Å²	116.7	53%	0.528	60%	0.598	S	S	.	*			trans	-128.4	137.2	176.2	63.2	0	0	0	0	111.4	Q258	T256-Q258 VanDerWaalsContact C-N 3.34Å; T256-Q258 PolarHBondContact O-N 2.98Å
257	T	48.4	Very low	55.4	Low	158 Å²	158	118.1 Å²	118.1	97%	0.969	60%	0.601	S	S	*	*	S	Bend	trans	-90.4	11.7	-171.7	49.5	0	0	0	0	114.4
258	Q	56.2	Low	56	Low	86 Å²	86	119.8 Å²	119.8	40%	0.402	61%	0.605	S	S	.	*	S	Bend	trans	-134.3	131.3	-170.9	-171.4	-172.4	50.7	0	0	110.9	T256 F262 R263	T256-Q258 VanDerWaalsContact C-N 3.34Å; T256-Q258 PolarHBondContact O-N 2.98Å; Q258-F262 HydrophobicContact CG-CB 4.07Å; Q258-R263 HydrophobicContact CG-CG 4.36Å; Q258-R263 VanDerWaalsContact OE1-CG 3.22Å
259	S	63.5	Low	56.9	Low	59 Å²	59	117.1 Å²	117.1	41%	0.413	60%	0.599	S	S	.	*			trans	-74.5	153.6	-178.2	66.9	0	0	0	0	113.1	S261 F262 R263	S259-S261 PolarHBondContact O-N 2.89Å; S259-S261 PolarHBondContact OG-OG 3.08Å; S259-F262 PolarHBondContact O-N 3.42Å; S259-F262 VanDerWaalsContact O-N 3.1Å; S259-F262 PolarHBondContact OG-N 3.39Å; S259-R263 PolarHBondContact O-N 3.5Å
260	R	59.3	Low	57.2	Low	137 Å²	137	116.2 Å²	116.2	52%	0.517	61%	0.608	S	S	.	*	H	α-helix	trans	-56.3	-39.5	173.5	-176.2	179.7	171.2	-138.8	-9.3	111.7	D249 F262 R263 I264	D249-R260 WeakPolarHBondContact OD2-CD 3.42Å; D249-R260 IonicContact OD2-CZ 3.76Å; D249-R260 IonicContact OD2-NE 2.86Å; D249-R260 PolarHBondContact OD2-NE 2.85Å; D249-R260 IonicContact OD2-NH1 3.98Å; D249-R260 PolarHBondContact OD2-NH1 3.25Å; R260-F262 PolarHBondContact O-N 2.83Å; R260-R263 PolarHBondContact O-N 2.89Å; R260-I264 HydrophobicContact CG-CD1 3.92Å; R260-I264 HydrophobicContact CG-CG1 4.5Å; R260-I264 WeakPolarHBondContact O-CG1 3.42Å; R260-I264 PolarHBondContact O-N 3.17Å
261	S	60.3	Low	57.5	Low	59 Å²	59	111.2 Å²	111.2	41%	0.413	60%	0.6	S	S	.	*	H	α-helix	trans	-59.6	-40.2	175.1	47.6	0	0	0	0	113.2	S259 R263 I264 L265	S259-S261 PolarHBondContact O-N 2.89Å; S259-S261 PolarHBondContact OG-OG 3.08Å; S261-R263 VanDerWaalsContact C-N 3.34Å; S261-I264 PolarHBondContact O-N 2.81Å; S261-L265 WeakPolarHBondContact O-CB 3.29Å; S261-L265 WeakPolarHBondContact O-CG 3.21Å; S261-L265 PolarHBondContact O-N 2.97Å
262	F	61.6	Low	57.9	Low	130 Å²	130	106.7 Å²	106.7	57%	0.57	59%	0.587	S	S	*	*	H	α-helix	trans	-70.2	-31.8	178.1	-146.4	-82.3	0	0	0	112.3	Q258 S259 R260 A266	Q258-F262 HydrophobicContact CG-CB 4.07Å; S259-F262 PolarHBondContact O-N 3.42Å; S259-F262 VanDerWaalsContact O-N 3.1Å; S259-F262 PolarHBondContact OG-N 3.39Å; R260-F262 PolarHBondContact O-N 2.83Å; F262-A266 WeakPolarHBondContact O-CB 3.24Å; F262-A266 PolarHBondContact O-N 2.87Å
263	R	67.9	Low	58.1	Low	135 Å²	135	107.6 Å²	107.6	51%	0.509	59%	0.586	S	S	.	*	H	α-helix	trans	-70.6	-44.7	174.1	-70.2	-177.4	171.4	-169.1	-4.8	112.6	Q258 S259 R260 S261 L265 A266 Q267	Q258-R263 HydrophobicContact CG-CG 4.36Å; Q258-R263 VanDerWaalsContact OE1-CG 3.22Å; S259-R263 PolarHBondContact O-N 3.5Å; R260-R263 PolarHBondContact O-N 2.89Å; S261-R263 VanDerWaalsContact C-N 3.34Å; R263-L265 VanDerWaalsContact C-N 3.31Å; R263-L265 PolarHBondContact O-N 3.23Å; R263-A266 PolarHBondContact O-N 2.9Å; R263-Q267 PolarHBondContact O-N 3.33Å
264	I	69.6	Low	58.3	Low	74 Å²	74	103.8 Å²	103.8	38%	0.379	59%	0.585	S	S	.	*	H	α-helix	trans	-60.6	-43.8	175	-68.9	168.5	0	0	0	110.1	R260 S261 Q267 I268	R260-I264 HydrophobicContact CG-CD1 3.92Å; R260-I264 HydrophobicContact CG-CG1 4.5Å; R260-I264 WeakPolarHBondContact O-CG1 3.42Å; R260-I264 PolarHBondContact O-N 3.17Å; S261-I264 PolarHBondContact O-N 2.81Å; I264-Q267 PolarHBondContact O-N 2.76Å; I264-I268 HydrophobicContact CG2-CD1 3.76Å; I264-I268 VanDerWaalsContact O-CG1 3.29Å; I264-I268 WeakPolarHBondContact O-CG1 3.47Å; I264-I268 PolarHBondContact O-N 3.5Å
265	L	62.9	Low	58	Low	102 Å²	102	104.1 Å²	104.1	53%	0.534	58%	0.576	S	S	.	*	H	α-helix	trans	-61.1	-46.5	174	-76.1	169.1	0	0	0	112.2	S261 R263 Q267 I268 T269	S261-L265 WeakPolarHBondContact O-CB 3.29Å; S261-L265 WeakPolarHBondContact O-CG 3.21Å; S261-L265 PolarHBondContact O-N 2.97Å; R263-L265 VanDerWaalsContact C-N 3.31Å; R263-L265 PolarHBondContact O-N 3.23Å; L265-Q267 VanDerWaalsContact C-N 3.29Å; L265-Q267 PolarHBondContact O-N 3.46Å; L265-I268 PolarHBondContact O-N 2.9Å; L265-T269 PolarHBondContact O-N 3.41Å; L265-T269 PolarHBondContact O-OG1 3.35Å
266	A	71.2	Confident	56.8	Low	17 Å²	17	107.9 Å²	107.9	14%	0.14	58%	0.578	C	S	.	*	H	α-helix	trans	-59.8	-36.6	178.8	0	0	0	0	0	113.1	F262 R263 G270 T271	F262-A266 WeakPolarHBondContact O-CB 3.24Å; F262-A266 PolarHBondContact O-N 2.87Å; R263-A266 PolarHBondContact O-N 2.9Å; A266-G270 PolarHBondContact O-N 3.08Å; A266-T271 WeakPolarHBondContact CA-OG1 3.22Å; A266-T271 PolarHBondContact O-N 3.23Å; A266-T271 PolarHBondContact O-OG1 3.02Å
267	Q	61.7	Low	55.6	Low	137 Å²	137	113.1 Å²	113.1	64%	0.64	60%	0.596	S	S	*	*	H	α-helix	trans	-66.7	-41.9	171.8	-106.5	-179.9	-30.3	0	0	112.4	R263 I264 L265 G270 E272	R263-Q267 PolarHBondContact O-N 3.33Å; I264-Q267 PolarHBondContact O-N 2.76Å; L265-Q267 VanDerWaalsContact C-N 3.29Å; L265-Q267 PolarHBondContact O-N 3.46Å; Q267-G270 PolarHBondContact O-N 3.33Å; Q267-E272 VanDerWaalsContact CG-OE2 3.23Å; Q267-E272 WeakPolarHBondContact CG-OE2 3.29Å
268	I	64.5	Low	54.8	Low	131 Å²	131	114.9 Å²	114.9	67%	0.672	59%	0.593	S	S	*	*	H	α-helix	trans	-68.7	-33.1	179	-68.1	166.5	0	0	0	111.8	I264 L265	I264-I268 HydrophobicContact CG2-CD1 3.76Å; I264-I268 VanDerWaalsContact O-CG1 3.29Å; I264-I268 WeakPolarHBondContact O-CG1 3.47Å; I264-I268 PolarHBondContact O-N 3.5Å; L265-I268 PolarHBondContact O-N 2.9Å
269	T	69	Low	53.6	Low	94 Å²	94	115.7 Å²	115.7	58%	0.577	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	1.8	175.5	54.5	0	0	0	0	114.4	L265 T271	L265-T269 PolarHBondContact O-N 3.41Å; L265-T269 PolarHBondContact O-OG1 3.35Å; T269-T271 VanDerWaalsContact C-N 3.27Å; T269-T271 PolarHBondContact O-N 3.45Å; T269-T271 PolarHBondContact OG1-OG1 3Å
270	G	51	Low	52	Low	58 Å²	58	120.6 Å²	120.6	60%	0.598	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	64	26.3	179.3	0	0	0	0	0	114.6	A266 Q267 E272	A266-G270 PolarHBondContact O-N 3.08Å; Q267-G270 PolarHBondContact O-N 3.33Å; G270-E272 VanDerWaalsContact C-N 3.33Å; G270-E272 PolarHBondContact O-N 3.4Å
271	T	54.4	Low	50.5	Low	95 Å²	95	117 Å²	117	58%	0.583	64%	0.636	S	S	*	*			trans	-99.2	35.8	-178.2	60.8	0	0	0	0	112.1	A266 T269 N273	A266-T271 WeakPolarHBondContact CA-OG1 3.22Å; A266-T271 PolarHBondContact O-N 3.23Å; A266-T271 PolarHBondContact O-OG1 3.02Å; T269-T271 VanDerWaalsContact C-N 3.27Å; T269-T271 PolarHBondContact O-N 3.45Å; T269-T271 PolarHBondContact OG1-OG1 3Å; T271-N273 PolarHBondContact O-N 2.62Å
272	E	59.9	Low	49.1	Very low	120 Å²	120	120.4 Å²	120.4	56%	0.561	66%	0.66	S	S	*	*			trans	-82.6	103.8	178.4	51.1	-169.7	-132.5	0	0	111	Q267 G270	Q267-E272 VanDerWaalsContact CG-OE2 3.23Å; Q267-E272 WeakPolarHBondContact CG-OE2 3.29Å; G270-E272 VanDerWaalsContact C-N 3.33Å; G270-E272 PolarHBondContact O-N 3.4Å
273	N	47.4	Very low	47.8	Very low	144 Å²	144	123.1 Å²	123.1	77%	0.77	67%	0.671	S	S	*	*			trans	-91	113	179.5	-169.3	18.2	0	0	0	111	T271 Q275	T271-N273 PolarHBondContact O-N 2.62Å; N273-Q275 PolarHBondContact O-N 3.11Å
274	V	43.7	Very low	45.9	Very low	128 Å²	128	125.3 Å²	125.3	78%	0.776	69%	0.685	S	S	*	*			trans	-89.2	96.6	-176.7	-179.4	0	0	0	0	110.7
275	Q	34.4	Very low	43.8	Very low	157 Å²	157	128.1 Å²	128.1	73%	0.734	71%	0.706	S	S	*	*			trans	-142.8	92.2	164.2	-71.2	-165.9	-18	0	0	111.4	N273	N273-Q275 PolarHBondContact O-N 3.11Å
276	N	30.2	Very low	42.2	Very low	158 Å²	158	129.9 Å²	129.9	85%	0.845	71%	0.714	S	S	*	*				169.4	111.3	121.6	-86	0.1	0	0	0	110.4
277	E	31.2	Very low	40.1	Very low	196 Å²	196	136 Å²	136	92%	0.916	74%	0.744	S	S	*	*			trans	-94.3	-176.8	159.5	-67	-168.7	119.5	0	0	110.3
278	E	30.5	Very low	38.4	Very low	195 Å²	195	135.2 Å²	135.2	91%	0.911	75%	0.754	S	S	*	*			trans	79.5	78.7	168.7	-154.9	174.2	171.4	0	0	118.3
279	A	31.8	Very low	36.7	Very low	103 Å²	103	136.5 Å²	136.5	85%	0.851	76%	0.761	S	S	*	*			trans	-165.7	51.5	143.5	0	0	0	0	0	113.4
280	D	28.5	Very low	35.3	Very low	162 Å²	162	137.6 Å²	137.6	87%	0.866	77%	0.77	S	S	*	*			trans	-81.5	152.9	157.5	-156.6	27	0	0	0	107.2
281	A	27.7	Very low	34.2	Very low	63 Å²	63	141.8 Å²	141.8	52%	0.521	78%	0.778	S	S	.	*			cis	-154.6	159.6	10.8	0	0	0	0	0	111.9
282	S	31.7	Very low	32.9	Very low	129 Å²	129	145.2 Å²	145.2	90%	0.902	79%	0.792	S	S	*	*			trans	-161.2	147.4	142.7	-89.7	0	0	0	0	112.5
283	K	35	Very low	31.3	Very low	187 Å²	187	145.1 Å²	145.1	81%	0.813	80%	0.8	S	S	*	*			trans	-110.2	141.4	-157.7	-76.9	168.6	179.2	160.6	0	115.2
284	K	27.3	Very low	30.2	Very low	181 Å²	181	145.7 Å²	145.7	79%	0.787	80%	0.802	S	S	*	*			trans	43.4	127.6	138.3	-60.7	-177.4	176.4	-172.9	0	120.4
285	T	25.8	Very low	29.3	Very low	134 Å²	134	143.5 Å²	143.5	82%	0.822	79%	0.792	S	S	*	*				-157.3	100.8	127.5	-72.8	0	0	0	0	106.1
286	I	30	Very low	28.9	Very low	139 Å²	139	143.3 Å²	143.3	71%	0.713	79%	0.794	S	S	*	*				67.2	115.1	93.5	-62	171.7	0	0	0	114.2
287	N	26.4	Very low	28.5	Very low	144 Å²	144	141.6 Å²	141.6	77%	0.77	79%	0.794	S	S	*	*			trans	-14.1	137.4	161.2	-41.6	-13.7	0	0	0	118.5
288	S	24.8	Very low	28.2	Very low	122 Å²	122	137 Å²	137	85%	0.853	78%	0.783	S	S	*	*				-177.3	151.6	106.8	37.6	0	0	0	0	114.4
289	I	29.4	Very low	28.1	Very low	158 Å²	158	135.3 Å²	135.3	81%	0.81	78%	0.779	S	S	*	*			trans	-114.3	146.8	171.1	-79.6	170.5	0	0	0	104.3
290	P	40.4	Very low	27.7	Very low	117 Å²	117	135.8 Å²	135.8	76%	0.76	77%	0.772	S	S	*	*				-144.7	-171.5	50.7	30.3	-4.2	0	0	0	118.2
291	D	28.3	Very low	27.7	Very low	146 Å²	146	136.3 Å²	136.3	78%	0.781	77%	0.769	S	S	*	*			trans	-52.1	156	179.8	-49.6	-100	0	0	0	118.8
292	L	25.6	Very low	27.6	Very low	167 Å²	167	141.3 Å²	141.3	87%	0.874	79%	0.785	S	S	*	*			trans	-151.6	100.4	146.4	-151.1	86.1	0	0	0	115.4
293	V	26	Very low	27.3	Very low	118 Å²	118	139.6 Å²	139.6	72%	0.715	77%	0.773	S	S	*	*			trans	20.8	122	132.1	179.9	0	0	0	0	121.2
294	L	25.3	Very low	26.8	Very low	155 Å²	155	135.2 Å²	135.2	81%	0.812	77%	0.767	S	S	*	*			trans	83	140	148.1	-115.4	73.2	0	0	0	124.7
295	S	25.1	Very low	26.7	Very low	82 Å²	82	135.9 Å²	135.9	57%	0.573	77%	0.77	S	S	*	*			trans	84.2	115.4	138	-77.2	0	0	0	0	124.6
296	I	25	Very low	27	Very low	153 Å²	153	135.8 Å²	135.8	79%	0.785	77%	0.771	S	S	*	*				50.6	113.1	121.7	-53.3	165.2	0	0	0	118.4
297	C	22.3	Very low	26.7	Very low	123 Å²	123	134.2 Å²	134.2	83%	0.831	77%	0.772	S	S	*	*				-165.5	179.9	99.5	-146.1	0	0	0	0	112.9
298	S	26	Very low	26.8	Very low	99 Å²	99	132.4 Å²	132.4	69%	0.692	77%	0.77	S	S	*	*			trans	-117.2	-178	-171.7	-60.5	0	0	0	0	113.2
299	L	26.8	Very low	27.7	Very low	159 Å²	159	131.9 Å²	131.9	83%	0.832	76%	0.764	S	S	*	*			trans	81.4	150.3	170.3	-48.1	168.2	0	0	0	114.2
300	T	24.9	Very low	27.7	Very low	114 Å²	114	131.8 Å²	131.8	70%	0.699	76%	0.764	S	S	*	*			cis	-149.9	168.4	7.2	-17.9	0	0	0	0	114
301	Q	27.4	Very low	27	Very low	172 Å²	172	133.4 Å²	133.4	80%	0.804	77%	0.766	S	S	*	*			trans	-39.1	161.1	169.8	-58.4	158.8	-12.2	0	0	119.1
302	I	27	Very low	26.8	Very low	168 Å²	168	129.9 Å²	129.9	86%	0.862	77%	0.765	S	S	*	*			trans	176.9	139	137.4	-93.5	151.4	0	0	0	107.8
303	S	24.7	Very low	27	Very low	93 Å²	93	127.8 Å²	127.8	65%	0.65	76%	0.758	S	S	*	*			cis	-164.4	144.9	-20.5	57.9	0	0	0	0	111.8
304	S	24.2	Very low	27.2	Very low	96 Å²	96	129.1 Å²	129.1	67%	0.671	76%	0.76	S	S	*	*			trans	35.5	124.1	147.2	59.8	0	0	0	0	123.9
305	F	25.8	Very low	27.3	Very low	195 Å²	195	130.2 Å²	130.2	86%	0.855	76%	0.761	S	S	*	*				36.6	147.2	109.3	-73.6	-62.9	0	0	0	121.3
306	P	32.6	Very low	27.2	Very low	132 Å²	132	132.7 Å²	132.7	86%	0.857	77%	0.767	S	S	*	*				-140.2	-156.9	53.3	41.2	-21.2	0	0	0	116.3
307	C	23.2	Very low	27.3	Very low	106 Å²	106	132.3 Å²	132.3	72%	0.716	77%	0.773	S	S	*	*			trans	-141	157.5	-154.7	-154.5	0	0	0	0	114.4
308	S	27.2	Very low	27.5	Very low	106 Å²	106	131 Å²	131	74%	0.741	76%	0.764	S	S	*	*			trans	67.3	167.8	154.9	-68.8	0	0	0	0	119.8
309	P	45.3	Very low	27.5	Very low	110 Å²	110	134.7 Å²	134.7	71%	0.714	78%	0.776	S	S	*	*			cis	-131.8	-175.1	-26.8	33.4	-14.5	0	0	0	113.2
310	L	27.7	Very low	27.4	Very low	157 Å²	157	131.9 Å²	131.9	82%	0.822	77%	0.769	S	S	*	*				-179.5	156.1	125.4	-96.9	168.4	0	0	0	114.2
311	D	26.2	Very low	27.4	Very low	150 Å²	150	134.9 Å²	134.9	80%	0.802	78%	0.78	S	S	*	*			trans	-75.1	167.4	-154.8	-52.7	-58.9	0	0	0	120.1
312	G	25.7	Very low	27.5	Very low	73 Å²	73	134 Å²	134	75%	0.753	78%	0.781	S	S	*	*			trans	-179.5	129.9	165.1	0	0	0	0	0	112.1
313	V	28.8	Very low	27.5	Very low	122 Å²	122	130.7 Å²	130.7	74%	0.739	78%	0.779	S	S	*	*			trans	-142.7	137.3	-155.8	173.5	0	0	0	0	114.8
314	I	29.9	Very low	27.6	Very low	146 Å²	146	134.9 Å²	134.9	75%	0.749	79%	0.788	S	S	*	*			trans	63	120.3	161.3	-71.8	166.7	0	0	0	119
315	H	27.2	Very low	27.7	Very low	179 Å²	179	140.1 Å²	140.1	83%	0.829	80%	0.799	S	S	*	*				-160.2	145.4	103.3	-147.9	-80.1	0	0	0	113.4
316	D	24.3	Very low	27.9	Very low	133 Å²	133	139 Å²	139	71%	0.711	80%	0.796	S	S	*	*			trans	-77.9	153.6	173.1	-94.9	-64.5	0	0	0	113.3
317	T	26.3	Very low	27.6	Very low	146 Å²	146	137.5 Å²	137.5	90%	0.896	79%	0.787	S	S	*	*			trans	-158.4	121.5	138.4	-8.4	0	0	0	0	111.3
318	S	27.5	Very low	27.8	Very low	94 Å²	94	138.8 Å²	138.8	66%	0.657	79%	0.791	S	S	*	*			trans	-93	135.3	173.2	177.5	0	0	0	0	111.1
319	L	24.5	Very low	27.8	Very low	178 Å²	178	140.4 Å²	140.4	93%	0.932	79%	0.79	S	S	*	*			trans	-139.8	104.6	157	-83.7	179.6	0	0	0	109.8
320	S	26	Very low	27	Very low	99 Å²	99	143.9 Å²	143.9	69%	0.692	79%	0.794	S	S	*	*			trans	-89.8	134.5	164.4	-50.6	0	0	0	0	109.9
321	L	24.7	Very low	26.9	Very low	178 Å²	178	143.3 Å²	143.3	93%	0.932	79%	0.792	S	S	*	*			trans	-141.7	134.5	157	-99.9	174.7	0	0	0	109.3
322	N	29	Very low	26.8	Very low	152 Å²	152	145.4 Å²	145.4	81%	0.813	79%	0.794	S	S	*	*			trans	-87.6	147.7	-177.3	-59.1	-44.5	0	0	0	110.9
323	A	26.5	Very low	26.7	Very low	99 Å²	99	146.8 Å²	146.8	82%	0.818	79%	0.792	S	S	*	*			trans	-150	96.7	163.1	0	0	0	0	0	109.5
324	E	27.3	Very low	26.5	Very low	182 Å²	182	146.2 Å²	146.2	85%	0.85	79%	0.792	S	S	*	*			trans	-74.3	137.1	169.8	-69.9	157.9	99.1	0	0	110
325	F	25.8	Very low	26.3	Very low	205 Å²	205	145.1 Å²	145.1	90%	0.899	79%	0.792	S	S	*	*			trans	-145.5	114.3	163.1	-106.4	-80.5	0	0	0	111
326	E	30	Very low	26.3	Very low	171 Å²	171	145.6 Å²	145.6	80%	0.799	79%	0.792	S	S	*	*			trans	-71.2	134.7	175.9	-86.1	-72.8	151.5	0	0	112.2
327	P	27.5	Very low	26.7	Very low	101 Å²	101	145.1 Å²	145.1	66%	0.656	80%	0.796	S	S	*	*			trans	-88.4	116	168.5	33.2	-29.6	0	0	0	111.3	I329	P327-I329 PolarHBondContact O-N 2.94Å; P327-I329 VanDerWaalsContact O-N 3.11Å
328	V	26.1	Very low	26.7	Very low	133 Å²	133	146.5 Å²	146.5	81%	0.806	79%	0.792	S	S	*	*			trans	-58.7	113.4	-179.9	177	0	0	0	0	112	K330	V328-K330 PolarHBondContact O-N 2.85Å
329	I	27.7	Very low	26.5	Very low	140 Å²	140	154.2 Å²	154.2	72%	0.718	81%	0.807	S	S	*	*			trans	-71.2	116.9	172.8	-57.7	177.2	0	0	0	109.7	P327 N331	P327-I329 PolarHBondContact O-N 2.94Å; P327-I329 VanDerWaalsContact O-N 3.11Å; I329-N331 WeakPolarHBondContact CG2-OD1 3.02Å
330	K	27.8	Very low	26.5	Very low	184 Å²	184	154.6 Å²	154.6	80%	0.8	80%	0.801	S	S	*	*			trans	-94.6	102.8	163.8	-73.9	-175.1	177.7	178.9	0	109.3	V328 F332	V328-K330 PolarHBondContact O-N 2.85Å; K330-F332 PolarHBondContact O-N 3.25Å
331	N	25.7	Very low	26.6	Very low	144 Å²	144	154.7 Å²	154.7	77%	0.77	81%	0.808	S	S	*	*			trans	-65.5	118.3	175.8	-69.3	-27.6	0	0	0	110.9	I329	I329-N331 WeakPolarHBondContact CG2-OD1 3.02Å
332	F	25.3	Very low	26.7	Very low	195 Å²	195	154.2 Å²	154.2	86%	0.855	81%	0.805	S	S	*	*			trans	-105.5	106.4	157.5	-100.8	-88	0	0	0	108.6	K330 C334	K330-F332 PolarHBondContact O-N 3.25Å; F332-C334 PolarHBondContact O-N 3.42Å
333	S	24.1	Very low	26.5	Very low	101 Å²	101	156.2 Å²	156.2	71%	0.706	81%	0.807	S	S	*	*			trans	-89.7	95.9	177.5	54.8	0	0	0	0	110.4	V335	S333-V335 PolarHBondContact O-N 3.1Å
334	C	24.6	Very low	26.7	Very low	110 Å²	110	161.2 Å²	161.2	74%	0.743	81%	0.81	S	S	*	*			trans	-73.7	90.6	176.1	-57.9	0	0	0	0	110.8	F332 F336	F332-C334 PolarHBondContact O-N 3.42Å; C334-F336 PolarHBondContact O-N 2.99Å
335	V	24.8	Very low	26.5	Very low	123 Å²	123	158.4 Å²	158.4	75%	0.745	81%	0.81	S	S	*	*			trans	-80.5	108.4	174.4	179.5	0	0	0	0	109.6	S333 P337	S333-V335 PolarHBondContact O-N 3.1Å; V335-P337 WeakPolarHBondContact O-CD 3.44Å
336	F	27.2	Very low	26.4	Very low	189 Å²	189	154.4 Å²	154.4	83%	0.829	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-68.4	127.3	170.5	-86.5	-94.6	0	0	0	111.6	C334	C334-F336 PolarHBondContact O-N 2.99Å
337	P	31.8	Very low	26.2	Very low	123 Å²	123	154.2 Å²	154.2	80%	0.799	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-79.5	125.2	162.8	-12.1	30.2	0	0	0	110.6	V335	V335-P337 WeakPolarHBondContact O-CD 3.44Å
338	Q	26.4	Very low	26.1	Very low	175 Å²	175	153.5 Å²	153.5	82%	0.818	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-76.7	129.5	-179.3	-177.1	-177.5	8.7	0	0	112
339	W	24.4	Very low	26.1	Very low	257 Å²	257	153.3 Å²	153.3	97%	0.973	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-57.6	141	172.7	-87.7	-34	0	0	0	112.7
340	K	24.1	Very low	25.9	Very low	185 Å²	185	150 Å²	150	80%	0.804	81%	0.814	S	S	*	*			trans	-133.9	117.7	161.1	-79.1	-175.3	176.4	176.5	0	110.2
341	A	27.7	Very low	25.9	Very low	102 Å²	102	148 Å²	148	84%	0.843	82%	0.818	S	S	*	*			trans	-79.5	139.8	173.3	0	0	0	0	0	111.3
342	I	26.7	Very low	26.1	Very low	167 Å²	167	148.4 Å²	148.4	86%	0.856	82%	0.819	S	S	*	*			trans	-128.1	140	168.8	-62.8	-178.4	0	0	0	108.3
343	K	26	Very low	26.2	Very low	195 Å²	195	146.7 Å²	146.7	85%	0.848	82%	0.817	S	S	*	*			trans	-101.8	135.8	-174.5	-66.7	178.2	-179.7	175.3	0	112
344	K	29.1	Very low	26.4	Very low	204 Å²	204	148.4 Å²	148.4	89%	0.887	82%	0.819	S	S	*	*			trans	25.3	126.3	146.6	-57.4	-175.2	178.8	-173.6	0	119.5
345	S	24.1	Very low	26.5	Very low	122 Å²	122	150.2 Å²	150.2	85%	0.853	83%	0.827	S	S	*	*			trans	-144.5	174.4	139.1	62.6	0	0	0	0	110.2
346	T	23.7	Very low	26.5	Very low	122 Å²	122	150 Å²	150	75%	0.748	83%	0.826	S	S	*	*			trans	-148	157.1	-152.3	-49.5	0	0	0	0	112.2
347	L	26.4	Very low	26.4	Very low	166 Å²	166	146.5 Å²	146.5	87%	0.869	82%	0.823	S	S	*	*			trans	73	157.5	172.2	-113.4	69.3	0	0	0	114.7
348	A	24.8	Very low	26.2	Very low	87 Å²	87	146 Å²	146	72%	0.719	82%	0.823	S	S	*	*			cis	-147.5	179.2	5.1	0	0	0	0	0	113.6
349	S	26	Very low	26.1	Very low	129 Å²	129	141 Å²	141	90%	0.902	82%	0.819	S	S	*	*			trans	-78.2	163.9	-177.8	-37.7	0	0	0	0	115
350	G	24.1	Very low	26.3	Very low	70 Å²	70	135 Å²	135	72%	0.722	82%	0.815	S	S	*	*			trans	169	81.8	162.6	0	0	0	0	0	120.1
351	T	26.6	Very low	26.7	Very low	143 Å²	143	132.8 Å²	132.8	88%	0.877	82%	0.817	S	S	*	*			trans	49.7	138.9	137	-44.4	0	0	0	0	123.9
352	L	29.1	Very low	26.8	Very low	151 Å²	151	136.2 Å²	136.2	79%	0.791	82%	0.82	S	S	*	*			trans	-46.9	152.1	169.5	-53.5	161.8	0	0	0	116.8
353	L	27.5	Very low	27.1	Very low	159 Å²	159	131.1 Å²	131.1	83%	0.832	81%	0.809	S	S	*	*				-176.2	168.8	107.7	-98.9	169.9	0	0	0	115.2
354	N	28.5	Very low	27.4	Very low	138 Å²	138	128.3 Å²	128.3	74%	0.738	81%	0.811	S	S	*	*			trans	-72.7	155.8	-164.6	-53.1	-29.8	0	0	0	116.7
355	T	26.7	Very low	27.5	Very low	148 Å²	148	124.9 Å²	124.9	91%	0.908	81%	0.807	S	S	*	*			trans	-155.9	147.4	142.7	-72.6	0	0	0	0	109.2
356	T	26.2	Very low	28	Very low	118 Å²	118	124.6 Å²	124.6	72%	0.724	80%	0.802	S	S	*	*			trans	-127.2	156.7	-165.2	-42	0	0	0	0	113.4
357	C	25.4	Very low	28.5	Very low	115 Å²	115	123.4 Å²	123.4	78%	0.777	80%	0.804	S	S	*	*			trans	78.7	155.9	160.9	98	0	0	0	0	117.5
358	S	26.3	Very low	28.8	Very low	114 Å²	114	126.4 Å²	126.4	80%	0.797	80%	0.804	S	S	*	*			cis	-160.1	146.7	-6.7	-136.6	0	0	0	0	113.4
359	G	25	Very low	29.3	Very low	70 Å²	70	127.8 Å²	127.8	72%	0.722	81%	0.806	S	S	*	*			trans	76.9	139.4	167.1	0	0	0	0	0	115.5
360	S	27.3	Very low	29.9	Very low	129 Å²	129	127.4 Å²	127.4	90%	0.902	80%	0.798	S	S	*	*			cis	-155.3	174.1	33.5	-68.6	0	0	0	0	113
361	V	32.8	Very low	30.6	Very low	139 Å²	139	129.6 Å²	129.6	84%	0.842	80%	0.799	S	S	*	*			trans	-88.7	134.6	-171	177	0	0	0	0	113.5
362	L	30.8	Very low	31.1	Very low	174 Å²	174	131.3 Å²	131.3	91%	0.911	80%	0.797	S	S	*	*			trans	-146.7	117.5	158.2	-78.2	-178.3	0	0	0	112.5
363	G	32.2	Very low	31.6	Very low	61 Å²	61	128.8 Å²	128.8	63%	0.629	79%	0.79	S	S	*	*			trans	72.2	131.4	146.9	0	0	0	0	0	120	V365	G363-V365 PolarHBondContact O-N 2.95Å
364	P	32.4	Very low	32.4	Very low	135 Å²	135	124.7 Å²	124.7	88%	0.877	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-73.3	123.8	163	30.8	-31.7	0	0	0	110.4
365	V	32.2	Very low	33.2	Very low	132 Å²	132	123.2 Å²	123.2	80%	0.8	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-69.1	131.4	171	-180	0	0	0	0	108.8	G363 A367	G363-V365 PolarHBondContact O-N 2.95Å; V365-A367 PolarHBondContact O-N 3.43Å
366	P	34.5	Very low	34.1	Very low	117 Å²	117	122.6 Å²	122.6	76%	0.76	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-62.5	127.5	175.1	26.1	-33.8	0	0	0	109.7	R368	P366-R368 PolarHBondContact O-N 2.92Å
367	A	34.3	Very low	35.2	Very low	96 Å²	96	118.1 Å²	118.1	79%	0.793	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-57.9	122.3	-176.8	0	0	0	0	0	110.8	V365	V365-A367 PolarHBondContact O-N 3.43Å
368	R	32.8	Very low	36.4	Very low	230 Å²	230	116.9 Å²	116.9	87%	0.868	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-59.1	132	168.2	-166.8	-178.1	-160	-149.2	5.4	107.6	P366 V370	P366-R368 PolarHBondContact O-N 2.92Å; R368-V370 PolarHBondContact O-N 3.43Å
369	P	34	Very low	37.5	Very low	115 Å²	115	118 Å²	118	75%	0.747	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-54	126.3	178.1	-27.3	35.1	0	0	0	110.7
370	V	38.7	Very low	39.1	Very low	122 Å²	122	118.5 Å²	118.5	74%	0.739	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-60.2	126.6	168.8	177.8	0	0	0	0	106.9	R368 Q372	R368-V370 PolarHBondContact O-N 3.43Å; V370-Q372 PolarHBondContact O-N 3.43Å
371	P	38.4	Very low	40.7	Very low	116 Å²	116	114.8 Å²	114.8	75%	0.753	66%	0.659	S	S	*	*			trans	-60.1	113.8	169.8	-18.8	31.8	0	0	0	107.8
372	Q	38.9	Very low	42.1	Very low	179 Å²	179	109.9 Å²	109.9	84%	0.836	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-62	140.2	177.1	-66.3	-175.4	-65.2	0	0	109	V370 H374	V370-Q372 PolarHBondContact O-N 3.43Å; Q372-H374 PolarHBondContact O-N 2.9Å
373	P	39.8	Very low	44	Very low	97 Å²	97	106.3 Å²	106.3	63%	0.63	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-49.6	139.2	167.4	-26.4	35.3	0	0	0	110.1	P375	P373-P375 WeakPolarHBondContact O-CD 3.45Å
374	H	42.8	Very low	45.9	Very low	74 Å²	74	111 Å²	111	34%	0.343	62%	0.615	S	S	.	*	P	Polyproline II helix	trans	-73.2	119.7	-178.3	-179.9	-104.2	0	0	0	108.7	Q372 K376 D377 Y479	Q372-H374 PolarHBondContact O-N 2.9Å; H374-K376 PolarHBondContact O-N 3.14Å; H374-D377 IonicContact CE1-OD1 3.98Å; H374-D377 IonicContact CG-OD1 3.89Å; H374-D377 IonicContact ND1-OD1 2.98Å; H374-D377 PolarHBondContact ND1-OD1 3.22Å; H374-D377 PolarHBondContact O-N 2.76Å; H374-Y479 AromaticContact CE1-CE1 3.75Å; H374-Y479 AromaticContact CE1-CE2 3.74Å; H374-Y479 AromaticContact CE1-CZ 3.33Å; H374-Y479 PolarHBondContact CE1-OH 3.28Å; H374-Y479 AromaticContact ND1-CD2 3.87Å; H374-Y479 AromaticContact ND1-CE2 3.38Å; H374-Y479 WeakPolarHBondContact ND1-CE2 3.23Å; H374-Y479 AromaticContact ND1-CZ 3.51Å
375	P	44.7	Very low	47.8	Very low	106 Å²	106	105.1 Å²	105.1	69%	0.688	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	51.7	-164.5	34.6	-38.8	0	0	0	112.5	P373	P373-P375 WeakPolarHBondContact O-CD 3.45Å
376	K	47.5	Very low	49.8	Very low	136 Å²	136	105.2 Å²	105.2	59%	0.591	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145.4	-7.2	173.9	-60.1	-164.3	178.2	-168.2	0	112.9	H374 T380	H374-K376 PolarHBondContact O-N 3.14Å; K376-T380 PolarHBondContact O-OG1 3.11Å
377	D	48.3	Very low	51.3	Low	24 Å²	24	104.1 Å²	104.1	13%	0.128	56%	0.555	C	S	.	*	S	Bend	trans	-93.1	-30.5	-172	-59.3	21.1	0	0	0	109.9	H374 T380 L465 G466 Y479	H374-D377 IonicContact CE1-OD1 3.98Å; H374-D377 IonicContact CG-OD1 3.89Å; H374-D377 IonicContact ND1-OD1 2.98Å; H374-D377 PolarHBondContact ND1-OD1 3.22Å; H374-D377 PolarHBondContact O-N 2.76Å; D377-T380 PolarHBondContact O-N 3.19Å; D377-L465 WeakPolarHBondContact CB-O 3.04Å; D377-G466 WeakPolarHBondContact O-CA 3.12Å; D377-Y479 WeakPolarHBondContact OD1-CE2 3.3Å; D377-Y479 WeakPolarHBondContact OD2-CD2 3.43Å
378	E	50.7	Low	53	Low	89 Å²	89	102.3 Å²	102.3	42%	0.416	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-61.7	-50.8	174.9	-67.4	176.5	162	0	0	112.7	T380 L381 V382 L465	E378-T380 PolarHBondContact O-N 2.91Å; E378-L381 PolarHBondContact O-N 2.9Å; E378-V382 VanDerWaalsContact O-CG2 3.28Å; E378-V382 WeakPolarHBondContact O-CG2 3.47Å; E378-L465 HydrophobicContact CG-CB 4.45Å; E378-L465 HydrophobicContact CG-CD1 4.38Å
379	D	50.6	Low	54.3	Low	137 Å²	137	96.5 Å²	96.5	73%	0.733	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-54.5	-14.8	-179.2	-75.1	-42.8	0	0	0	114.8
380	T	57.8	Low	55.2	Low	80 Å²	80	95.3 Å²	95.3	49%	0.491	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-96.7	-19.5	-170.5	-45.3	0	0	0	0	114.3	K376 D377 E378 E467	K376-T380 PolarHBondContact O-OG1 3.11Å; D377-T380 PolarHBondContact O-N 3.19Å; E378-T380 PolarHBondContact O-N 2.91Å; T380-E467 HydrophobicContact CG2-CG 3.76Å
381	L	59.8	Low	56.1	Low	52 Å²	52	92.1 Å²	92.1	27%	0.272	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-21.8	170.2	-84.5	-177.2	0	0	0	113.5	E378 Q383 V437 Y449	E378-L381 PolarHBondContact O-N 2.9Å; L381-Q383 PolarHBondContact O-N 3.28Å; L381-V437 HydrophobicContact CB-CG2 4.42Å; L381-Y449 HydrophobicContact CD1-CD1 4.44Å; L381-Y449 HydrophobicContact CD1-CE1 3.77Å
382	V	62.1	Low	56.9	Low	36 Å²	36	96.2 Å²	96.2	22%	0.218	53%	0.526	C	S	.	.			trans	-91.4	98.5	-157.6	175.2	0	0	0	0	110.5	E378	E378-V382 VanDerWaalsContact O-CG2 3.28Å; E378-V382 WeakPolarHBondContact O-CG2 3.47Å
383	Q	71	Confident	58.2	Low	98 Å²	98	98.6 Å²	98.6	46%	0.458	53%	0.528	S	S	.	.	B	Isolated β-bridge	trans	-75.8	139.3	176	-66.1	-173.1	0.5	0	0	110.6	L381 G435 F436	L381-Q383 PolarHBondContact O-N 3.28Å; Q383-G435 CarbonylContact O-C 3.55Å; Q383-G435 WeakPolarHBondContact O-CA 3.47Å; Q383-F436 HydrophobicContact CB-CD1 4.28Å; Q383-F436 HydrophobicContact CB-CD2 4.49Å; Q383-F436 HydrophobicContact CB-CE1 3.75Å; Q383-F436 HydrophobicContact CB-CE2 3.99Å; Q383-F436 HydrophobicContact CB-CZ 3.56Å; Q383-F436 PolarHBondContact N-O 3.42Å; Q383-F436 WeakPolarHBondContact O-CD1 3.12Å; Q383-F436 WeakPolarHBondContact O-CE1 3.36Å; Q383-F436 PolarHBondContact O-N 2.9Å
384	M	73.3	Confident	59.6	Low	159 Å²	159	98.3 Å²	98.3	78%	0.783	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-98.9	146.1	168	-62	-171.5	-166.3	0	0	110.3
385	A	71	Confident	61.3	Low	12 Å²	12	96 Å²	96	10%	0.099	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-83.2	124.2	174.6	0	0	0	0	0	110.8	L410 A412 F422 F436	A385-L410 HydrophobicContact CB-CB 4.24Å; A385-L410 HydrophobicContact CB-CD1 4.32Å; A385-L410 HydrophobicContact CB-CD2 3.98Å; A385-L410 HydrophobicContact CB-CG 4.41Å; A385-A412 HydrophobicContact CB-CB 4.41Å; A385-F422 HydrophobicContact CB-CD1 4.26Å; A385-F422 HydrophobicContact CB-CE1 3.86Å; A385-F422 HydrophobicContact CB-CZ 4.5Å; A385-F436 HydrophobicContact CB-CE1 4.33Å
386	E	75.2	Confident	63.3	Low	135 Å²	135	97.2 Å²	97.2	63%	0.631	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	129.1	-178.6	-67.5	-169.4	152.9	0	0	111.2	L410 V411	E386-L410 CarbonylContact O-C 3.57Å; E386-L410 WeakPolarHBondContact O-CA 3.22Å; E386-V411 PolarHBondContact N-O 2.83Å; E386-V411 PolarHBondContact O-N 2.99Å
387	H	66.1	Low	65.1	Low	94 Å²	94	90.8 Å²	90.8	44%	0.435	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	114.8	174.9	-78.4	77.9	0	0	0	110.4	L410 A432 D433	H387-L410 VanDerWaalsContact CE1-CD2 3.44Å; H387-L410 WeakPolarHBondContact CE1-CD2 3.25Å; H387-A432 PolarHBondContact CE1-O 3.24Å; H387-D433 IonicContact CE1-OD1 3.42Å
388	I	70.3	Confident	66.8	Low	58 Å²	58	91.5 Å²	91.5	30%	0.297	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	131.4	-177.1	-56.2	-169.6	0	0	0	111.5	F409 V411	I388-F409 HydrophobicContact CB-CD2 4.42Å; I388-F409 HydrophobicContact CB-CE1 4.15Å; I388-F409 HydrophobicContact CB-CE2 3.83Å; I388-F409 HydrophobicContact CB-CZ 3.68Å; I388-F409 HydrophobicContact CD1-CE2 4.24Å; I388-F409 HydrophobicContact CG1-CE2 4.37Å; I388-F409 HydrophobicContact CG2-CE1 4.12Å; I388-F409 HydrophobicContact CG2-CE2 4.22Å; I388-F409 HydrophobicContact CG2-CZ 3.63Å; I388-F409 PolarHBondContact N-O 2.25Å; I388-F409 PolarHBondContact O-N 2.82Å; I388-V411 HydrophobicContact CD1-CB 4.16Å; I388-V411 HydrophobicContact CD1-CG2 3.51Å; I388-V411 HydrophobicContact CG1-CG2 4.14Å
389	P	59.3	Low	68.3	Low	108 Å²	108	92.2 Å²	92.2	70%	0.701	50%	0.498	S	S	*	.			trans	-73.4	146	172.1	30.8	-34.6	0	0	0	111.8	G391	P389-G391 PolarHBondContact O-N 3.19Å; P389-G391 VanDerWaalsContact O-N 3.14Å
390	A	53.9	Low	69.9	Low	89 Å²	89	87.8 Å²	87.8	74%	0.736	48%	0.477	S	S	*	.			trans	-62.4	113.3	-170.8	0	0	0	0	0	113.9
391	G	57.4	Low	71.2	Confident	55 Å²	55	90 Å²	90	57%	0.567	49%	0.486	S	S	*	.			trans	-106.4	-177.8	173.7	0	0	0	0	0	113.7	P389 R393	P389-G391 PolarHBondContact O-N 3.19Å; P389-G391 VanDerWaalsContact O-N 3.14Å; G391-R393 PolarHBondContact O-N 3.24Å
392	M	55.5	Low	72.3	Confident	203 Å²	203	93.6 Å²	93.6	100%	1	50%	0.503	S	S	*	.	S	Bend	trans	-70.5	20.6	-170.8	-60.8	-174.8	72.7	0	0	116.5
393	R	65.1	Low	73.3	Confident	228 Å²	228	95.3 Å²	95.3	86%	0.86	51%	0.514	S	S	*	.	S	Bend	trans	-138.4	105.3	169.5	-73.6	-171.3	174.9	-162	-1.3	108.9	G391 P395	G391-R393 PolarHBondContact O-N 3.24Å; R393-P395 VanDerWaalsContact O-CD 3.31Å; R393-P395 WeakPolarHBondContact O-CD 3.28Å
394	T	70.5	Confident	73.9	Confident	92 Å²	92	91 Å²	91	56%	0.564	49%	0.494	S	S	*	.			trans	-70.5	114.7	178.2	-28.1	0	0	0	0	109.6	V403 I404	T394-V403 HydrophobicContact CG2-CG1 3.33Å; T394-I404 WeakPolarHBondContact CG2-O 3.41Å
395	P	78.2	Confident	74	Confident	24 Å²	24	88 Å²	88	16%	0.156	49%	0.488	C	S	.	.	P	Polyproline II helix	trans	-78	162.6	-175.7	31	-32.4	0	0	0	111.8	R393 I404 F409 S416	R393-P395 VanDerWaalsContact O-CD 3.31Å; R393-P395 WeakPolarHBondContact O-CD 3.28Å; P395-I404 HydrophobicContact CG-CB 4.17Å; P395-I404 HydrophobicContact CG-CD1 4.2Å; P395-I404 HydrophobicContact CG-CG1 4.45Å; P395-I404 PolarHBondContact O-N 3.41Å; P395-F409 HydrophobicContact CG-CD1 4.02Å; P395-F409 HydrophobicContact CG-CD2 3.91Å; P395-F409 HydrophobicContact CG-CE1 4.02Å; P395-F409 HydrophobicContact CG-CE2 3.89Å; P395-F409 HydrophobicContact CG-CG 3.96Å; P395-F409 HydrophobicContact CG-CZ 3.95Å; P395-S416 WeakPolarHBondContact CB-OG 3.35Å
396	M	85.6	Confident	73.8	Confident	133 Å²	133	98 Å²	98	66%	0.655	52%	0.524	S	S	*	.	B	Isolated β-bridge	trans	-99.7	137.9	170.3	-61.3	-174	-61.1	0	0	109.6	M402 V403	M396-M402 WeakPolarHBondContact CA-O 3.29Å; M396-V403 HydrophobicContact CG-CG2 4.29Å
397	C	85.8	Confident	73.4	Confident	1 Å²	1	94 Å²	94	1%	0.007	52%	0.519	C	S	.	.	B	Isolated β-bridge	trans	-73.6	131.7	175.7	-177.5	0	0	0	0	111.1	H399 N401 M402 I404 S416 E421	C397-H399 PolarHBondContact O-N 2.81Å; C397-H399 PolarHBondContact SG-N 3.05Å; C397-H399 VanDerWaalsContact SG-N 3.37Å; C397-N401 WeakPolarHBondContact O-CA 3.34Å; C397-N401 PolarHBondContact O-N 2.97Å; C397-M402 PolarHBondContact N-O 3.35Å; C397-I404 HydrophobicContact CB-CD1 3.93Å; C397-I404 HydrophobicContact CB-CG1 3.85Å; C397-S416 CarbonylContact C-O 3.57Å; C397-S416 WeakPolarHBondContact CA-O 3.42Å; C397-E421 PolarHBondContact SG-OE2 3.4Å
398	A	84.3	Confident	73.9	Confident	38 Å²	38	93.7 Å²	93.7	31%	0.314	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-4.7	177.5	0	0	0	0	0	115.2	K415 S416 W417	A398-K415 HydrophobicContact CB-CB 3.93Å; A398-K415 HydrophobicContact CB-CD 3.92Å; A398-K415 HydrophobicContact CB-CG 4.23Å; A398-S416 PolarHBondContact N-O 2.94Å; A398-W417 HydrophobicContact CB-CD2 4.15Å; A398-W417 HydrophobicContact CB-CE3 4.06Å; A398-W417 HydrophobicContact CB-CH2 3.82Å; A398-W417 HydrophobicContact CB-CZ2 3.89Å; A398-W417 HydrophobicContact CB-CZ3 3.89Å
399	H	81.9	Confident	74.4	Confident	105 Å²	105	91.9 Å²	91.9	49%	0.486	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-57.2	175.4	-176.4	-97.7	0	0	0	112.4	C397 W417 E421	C397-H399 PolarHBondContact O-N 2.81Å; C397-H399 PolarHBondContact SG-N 3.05Å; C397-H399 VanDerWaalsContact SG-N 3.37Å; H399-W417 HydrophobicContact CB-CE3 4.02Å; H399-W417 HydrophobicContact CB-CZ3 4.04Å; H399-E421 HydrophobicContact CB-CB 3.93Å; H399-E421 IonicContact CE1-OE1 3.85Å; H399-E421 IonicContact CG-OE1 3.78Å; H399-E421 VanDerWaalsContact ND1-CD 3.32Å; H399-E421 IonicContact ND1-OE1 3.97Å; H399-E421 PolarHBondContact ND1-OE1 3.49Å; H399-E421 IonicContact ND1-OE2 2.75Å
400	C	84.4	Confident	75.7	Confident	43 Å²	43	86.8 Å²	86.8	29%	0.291	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-3.1	-179.2	60.2	0	0	0	0	115.3	M402 E421	C400-M402 HydrophobicContact CB-CG 4.26Å; C400-M402 PolarHBondContact O-N 2.8Å; C400-E421 VanDerWaalsContact CB-OE1 3.29Å; C400-E421 WeakPolarHBondContact CB-OE1 3.47Å; C400-E421 PolarHBondContact SG-OE2 3.15Å
401	N	84.2	Confident	77.2	Confident	127 Å²	127	84.3 Å²	84.3	68%	0.679	46%	0.457	S	S	*	.			trans	56.4	14.3	-172.8	-67.4	-3.5	0	0	0	115.3	C397	C397-N401 WeakPolarHBondContact O-CA 3.34Å; C397-N401 PolarHBondContact O-N 2.97Å
402	M	83.6	Confident	78.4	Confident	128 Å²	128	82 Å²	82	63%	0.631	43%	0.433	S	S	*	.			trans	-87.1	155	175.9	-61	-174.5	68.6	0	0	112	M396 C397 C400 I404	M396-M402 WeakPolarHBondContact CA-O 3.29Å; C397-M402 PolarHBondContact N-O 3.35Å; C400-M402 HydrophobicContact CB-CG 4.26Å; C400-M402 PolarHBondContact O-N 2.8Å; M402-I404 PolarHBondContact O-N 2.98Å
403	V	83.3	Confident	79.6	Confident	72 Å²	72	74 Å²	74	44%	0.436	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-72	121.3	175.8	177.6	0	0	0	0	110.2	T394 M396 S405	T394-V403 HydrophobicContact CG2-CG1 3.33Å; M396-V403 HydrophobicContact CG-CG2 4.29Å; V403-S405 VanDerWaalsContact C-N 3.29Å; V403-S405 PolarHBondContact O-N 3.19Å; V403-S405 PolarHBondContact O-OG 3.36Å; V403-S405 VanDerWaalsContact O-OG 3.11Å
404	I	83.8	Confident	80.4	Confident	7 Å²	7	67.1 Å²	67.1	4%	0.036	39%	0.393	C	S	.	.			trans	-73.3	84.5	179.9	-49.3	179.8	0	0	0	109	T394 P395 C397 M402 F409	T394-I404 WeakPolarHBondContact CG2-O 3.41Å; P395-I404 HydrophobicContact CG-CB 4.17Å; P395-I404 HydrophobicContact CG-CD1 4.2Å; P395-I404 HydrophobicContact CG-CG1 4.45Å; P395-I404 PolarHBondContact O-N 3.41Å; C397-I404 HydrophobicContact CB-CD1 3.93Å; C397-I404 HydrophobicContact CB-CG1 3.85Å; M402-I404 PolarHBondContact O-N 2.98Å; I404-F409 HydrophobicContact CD1-CB 4.04Å; I404-F409 HydrophobicContact CG2-CB 3.85Å
405	S	74.1	Confident	81.1	Confident	96 Å²	96	67 Å²	67	67%	0.671	38%	0.384	S	S	*	.			trans	-99.3	5.9	-168.3	45.2	0	0	0	0	113.7	V403	V403-S405 VanDerWaalsContact C-N 3.29Å; V403-S405 PolarHBondContact O-N 3.19Å; V403-S405 PolarHBondContact O-OG 3.36Å; V403-S405 VanDerWaalsContact O-OG 3.11Å
406	R	67.1	Low	81.5	Confident	223 Å²	223	67 Å²	67	84%	0.842	39%	0.385	S	S	*	.	S	Bend	trans	-140.6	135.1	177.5	-86.5	-174.3	158.7	96.6	-3.3	111.1
407	G	68.1	Low	81.6	Confident	51 Å²	51	61.8 Å²	61.8	53%	0.526	36%	0.358	S	S	.	.	S	Bend	trans	78	-179.5	165.5	0	0	0	0	0	115.7
408	P	75.1	Confident	81.7	Confident	86 Å²	86	63.9 Å²	63.9	56%	0.558	37%	0.367	S	S	*	.			trans	-66.3	147.6	164.6	31.4	-34.3	0	0	0	109.8
409	F	82.1	Confident	81.6	Confident	21 Å²	21	65.3 Å²	65.3	9%	0.092	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	156.2	178.9	60.6	-88.7	0	0	0	110.8	I388 P395 I404 V411	I388-F409 HydrophobicContact CB-CD2 4.42Å; I388-F409 HydrophobicContact CB-CE1 4.15Å; I388-F409 HydrophobicContact CB-CE2 3.83Å; I388-F409 HydrophobicContact CB-CZ 3.68Å; I388-F409 HydrophobicContact CD1-CE2 4.24Å; I388-F409 HydrophobicContact CG1-CE2 4.37Å; I388-F409 HydrophobicContact CG2-CE1 4.12Å; I388-F409 HydrophobicContact CG2-CE2 4.22Å; I388-F409 HydrophobicContact CG2-CZ 3.63Å; I388-F409 PolarHBondContact N-O 2.25Å; I388-F409 PolarHBondContact O-N 2.82Å; P395-F409 HydrophobicContact CG-CD1 4.02Å; P395-F409 HydrophobicContact CG-CD2 3.91Å; P395-F409 HydrophobicContact CG-CE1 4.02Å; P395-F409 HydrophobicContact CG-CE2 3.89Å; P395-F409 HydrophobicContact CG-CG 3.96Å; P395-F409 HydrophobicContact CG-CZ 3.95Å; I404-F409 HydrophobicContact CD1-CB 4.04Å; I404-F409 HydrophobicContact CG2-CB 3.85Å; F409-V411 HydrophobicContact CD2-CG2 3.9Å; F409-V411 HydrophobicContact CE2-CG2 3.63Å
410	L	85.4	Confident	81.7	Confident	1 Å²	1	67.1 Å²	67.1	1%	0.005	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	141.2	176	-62.7	177.5	0	0	0	110.2	A385 E386 H387 S416 W417 K419 F422 A432	A385-L410 HydrophobicContact CB-CB 4.24Å; A385-L410 HydrophobicContact CB-CD1 4.32Å; A385-L410 HydrophobicContact CB-CD2 3.98Å; A385-L410 HydrophobicContact CB-CG 4.41Å; E386-L410 CarbonylContact O-C 3.57Å; E386-L410 WeakPolarHBondContact O-CA 3.22Å; H387-L410 VanDerWaalsContact CE1-CD2 3.44Å; H387-L410 WeakPolarHBondContact CE1-CD2 3.25Å; L410-S416 CarbonylContact O-C 3.55Å; L410-S416 VanDerWaalsContact O-CA 3.29Å; L410-S416 WeakPolarHBondContact O-CA 3.38Å; L410-W417 HydrophobicContact CB-CB 4.3Å; L410-W417 PolarHBondContact N-O 2.9Å; L410-W417 PolarHBondContact O-N 2.96Å; L410-K419 HydrophobicContact CD1-CG 4.28Å; L410-F422 HydrophobicContact CD1-CB 3.59Å; L410-F422 HydrophobicContact CD1-CD1 3.8Å; L410-F422 HydrophobicContact CD1-CG 3.9Å; L410-A432 HydrophobicContact CD1-CB 3.66Å
411	V	85.2	Confident	81.6	Confident	37 Å²	37	67.1 Å²	67.1	22%	0.224	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.8	164.4	178.2	0	0	0	0	109.8	E386 I388 F409 K415	E386-V411 PolarHBondContact N-O 2.83Å; E386-V411 PolarHBondContact O-N 2.99Å; I388-V411 HydrophobicContact CD1-CB 4.16Å; I388-V411 HydrophobicContact CD1-CG2 3.51Å; I388-V411 HydrophobicContact CG1-CG2 4.14Å; F409-V411 HydrophobicContact CD2-CG2 3.9Å; F409-V411 HydrophobicContact CE2-CG2 3.63Å; V411-K415 WeakPolarHBondContact CA-O 3.48Å
412	A	83.1	Confident	81.8	Confident	6 Å²	6	61.1 Å²	61.1	5%	0.05	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	139.7	179.3	0	0	0	0	0	108.9	A385 G414 K415 W417 F422 F436	A385-A412 HydrophobicContact CB-CB 4.41Å; A412-G414 PolarHBondContact O-N 2.85Å; A412-K415 PolarHBondContact N-O 2.99Å; A412-K415 WeakPolarHBondContact O-CB 3.16Å; A412-K415 PolarHBondContact O-N 2.72Å; A412-W417 PolarHBondContact O-NE1 3.21Å; A412-F422 HydrophobicContact CB-CE1 4.4Å; A412-F422 HydrophobicContact CB-CE2 3.65Å; A412-F422 HydrophobicContact CB-CZ 3.53Å; A412-F436 HydrophobicContact CB-CE1 4Å; A412-F436 HydrophobicContact CB-CE2 4.42Å; A412-F436 HydrophobicContact CB-CZ 3.61Å
413	M	80.4	Confident	82.2	Confident	36 Å²	36	57 Å²	57	18%	0.177	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	32.1	178.4	-50.7	158.4	42.5	0	0	114	K415 F436 E438 V443	M413-K415 PolarHBondContact O-N 3.31Å; M413-F436 HydrophobicContact CG-CE2 4.13Å; M413-F436 HydrophobicContact SD-CE2 4.39Å; M413-E438 HydrophobicContact CE-CG 3.76Å; M413-E438 WeakPolarHBondContact CE-OE1 3.2Å; M413-E438 HydrophobicContact CG-CB 4.28Å; M413-E438 HydrophobicContact CG-CG 4.34Å; M413-E438 VanDerWaalsContact CG-OE2 3.32Å; M413-E438 WeakPolarHBondContact CG-OE2 3.48Å; M413-E438 HydrophobicContact SD-CB 4.14Å; M413-E438 HydrophobicContact SD-CG 3.93Å; M413-V443 HydrophobicContact SD-CG1 3.31Å; M413-V443 WeakPolarHBondContact SD-CG1 3.22Å
414	G	81.5	Confident	82.5	Confident	82 Å²	82	53.5 Å²	53.5	85%	0.845	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	12	-174.2	0	0	0	0	0	115	A412	A412-G414 PolarHBondContact O-N 2.85Å
415	K	85.8	Confident	82.8	Confident	90 Å²	90	56.1 Å²	56.1	39%	0.391	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	156.6	-179.2	-65.9	167.2	-176.2	172.8	0	110.3	A398 V411 A412 M413 W417	A398-K415 HydrophobicContact CB-CB 3.93Å; A398-K415 HydrophobicContact CB-CD 3.92Å; A398-K415 HydrophobicContact CB-CG 4.23Å; V411-K415 WeakPolarHBondContact CA-O 3.48Å; A412-K415 PolarHBondContact N-O 2.99Å; A412-K415 WeakPolarHBondContact O-CB 3.16Å; A412-K415 PolarHBondContact O-N 2.72Å; M413-K415 PolarHBondContact O-N 3.31Å; K415-W417 HydrophobicContact CB-CZ2 4.19Å; K415-W417 HydrophobicContact CD-CZ2 3.96Å
416	S	87.3	Confident	83.5	Confident	23 Å²	23	56.1 Å²	56.1	16%	0.161	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	147.9	174.5	-55.7	0	0	0	0	111.5	P395 C397 A398 L410	P395-S416 WeakPolarHBondContact CB-OG 3.35Å; C397-S416 CarbonylContact C-O 3.57Å; C397-S416 WeakPolarHBondContact CA-O 3.42Å; A398-S416 PolarHBondContact N-O 2.94Å; L410-S416 CarbonylContact O-C 3.55Å; L410-S416 VanDerWaalsContact O-CA 3.29Å; L410-S416 WeakPolarHBondContact O-CA 3.38Å
417	W	88.1	Confident	84.6	Confident	25 Å²	25	48.2 Å²	48.2	10%	0.095	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	147.6	-175.6	-48.7	83.8	0	0	0	111.7	A398 H399 L410 A412 K415 F422	A398-W417 HydrophobicContact CB-CD2 4.15Å; A398-W417 HydrophobicContact CB-CE3 4.06Å; A398-W417 HydrophobicContact CB-CH2 3.82Å; A398-W417 HydrophobicContact CB-CZ2 3.89Å; A398-W417 HydrophobicContact CB-CZ3 3.89Å; H399-W417 HydrophobicContact CB-CE3 4.02Å; H399-W417 HydrophobicContact CB-CZ3 4.04Å; L410-W417 HydrophobicContact CB-CB 4.3Å; L410-W417 PolarHBondContact N-O 2.9Å; L410-W417 PolarHBondContact O-N 2.96Å; A412-W417 PolarHBondContact O-NE1 3.21Å; K415-W417 HydrophobicContact CB-CZ2 4.19Å; K415-W417 HydrophobicContact CD-CZ2 3.96Å; W417-F422 HydrophobicContact CB-CB 4.08Å; W417-F422 HydrophobicContact CB-CD2 4.05Å; W417-F422 HydrophobicContact CB-CG 4.38Å; W417-F422 AromaticContact CD1-CD2 3.87Å; W417-F422 AromaticContact CD2-CD2 3.69Å; W417-F422 HydrophobicContact CD2-CD2 3.69Å; W417-F422 HydrophobicContact CD2-CE2 4.21Å; W417-F422 AromaticContact CE2-CD2 3.99Å; W417-F422 HydrophobicContact CE3-CD2 4.17Å; W417-F422 AromaticContact CG-CD2 3.62Å; W417-F422 HydrophobicContact CG-CD2 3.62Å; W417-F422 HydrophobicContact CG-CE2 4.25Å; W417-F422 HydrophobicContact CG-CG 4.41Å; W417-F422 AromaticContact NE1-CE2 3.96Å
418	H	87.2	Confident	85.6	Confident	44 Å²	44	53.5 Å²	53.5	20%	0.204	29%	0.286	C	S	.	.			trans	-69.8	148.1	163.4	-64.1	116.5	0	0	0	109.9	E420 E421 F422	H418-E420 PolarHBondContact O-N 2.93Å; H418-E421 HydrophobicContact CB-CB 4.15Å; H418-E421 HydrophobicContact CB-CG 4.01Å; H418-E421 IonicContact CE1-OE2 2.73Å; H418-E421 IonicContact CG-OE2 2.71Å; H418-E421 IonicContact ND1-OE2 3.58Å; H418-E421 PolarHBondContact ND1-OE2 3.32Å; H418-E421 PolarHBondContact O-N 2.84Å; H418-E421 VanDerWaalsContact O-N 3.15Å; H418-F422 PolarHBondContact O-N 2.94Å
419	K	82.9	Confident	86.3	Confident	68 Å²	68	52.6 Å²	52.6	30%	0.296	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-34.5	-178.3	-157.6	-176.2	-177.8	178.4	0	111.8	L410 S430 A432 D433	L410-K419 HydrophobicContact CD1-CG 4.28Å; K419-S430 PolarHBondContact O-OG 2.81Å; K419-A432 HydrophobicContact CD-CB 4.05Å; K419-A432 HydrophobicContact CG-CB 3.39Å; K419-D433 WeakPolarHBondContact CE-OD1 3.36Å; K419-D433 WeakPolarHBondContact CE-OD2 3.32Å; K419-D433 IonicContact NZ-OD1 3.48Å; K419-D433 PolarHBondContact NZ-OD1 3.38Å; K419-D433 IonicContact NZ-OD2 2.74Å; K419-D433 PolarHBondContact NZ-OD2 3.17Å
420	E	82.8	Confident	86.6	Confident	144 Å²	144	53.6 Å²	53.6	67%	0.673	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-17	-177.9	-56.2	74	-163.9	0	0	113.1	H418 N423	H418-E420 PolarHBondContact O-N 2.93Å; E420-N423 PolarHBondContact O-ND2 3.34Å
421	E	83.1	Confident	86.8	Confident	43 Å²	43	53.6 Å²	53.6	20%	0.201	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-19.9	-177	-65	-169	121.1	0	0	113.3	C397 H399 C400 H418 N423	C397-E421 PolarHBondContact SG-OE2 3.4Å; H399-E421 HydrophobicContact CB-CB 3.93Å; H399-E421 IonicContact CE1-OE1 3.85Å; H399-E421 IonicContact CG-OE1 3.78Å; H399-E421 VanDerWaalsContact ND1-CD 3.32Å; H399-E421 IonicContact ND1-OE1 3.97Å; H399-E421 PolarHBondContact ND1-OE1 3.49Å; H399-E421 IonicContact ND1-OE2 2.75Å; C400-E421 VanDerWaalsContact CB-OE1 3.29Å; C400-E421 WeakPolarHBondContact CB-OE1 3.47Å; C400-E421 PolarHBondContact SG-OE2 3.15Å; H418-E421 HydrophobicContact CB-CB 4.15Å; H418-E421 HydrophobicContact CB-CG 4.01Å; H418-E421 IonicContact CE1-OE2 2.73Å; H418-E421 IonicContact CG-OE2 2.71Å; H418-E421 IonicContact ND1-OE2 3.58Å; H418-E421 PolarHBondContact ND1-OE2 3.32Å; H418-E421 PolarHBondContact O-N 2.84Å; H418-E421 VanDerWaalsContact O-N 3.15Å; E421-N423 VanDerWaalsContact C-N 3.32Å; E421-N423 WeakPolarHBondContact CA-ND2 3.42Å; E421-N423 PolarHBondContact O-N 3.14Å; E421-N423 PolarHBondContact O-ND2 2.94Å; E421-N423 VanDerWaalsContact O-ND2 3.15Å
422	F	88.3	Confident	86.8	Confident	1 Å²	1	52.1 Å²	52.1	0%	0.004	28%	0.28	C	S	.	.			trans	-77	80.5	176.8	-164.2	-113	0	0	0	111.1	A385 L410 A412 W417 H418 L431 F436 V443	A385-F422 HydrophobicContact CB-CD1 4.26Å; A385-F422 HydrophobicContact CB-CE1 3.86Å; A385-F422 HydrophobicContact CB-CZ 4.5Å; L410-F422 HydrophobicContact CD1-CB 3.59Å; L410-F422 HydrophobicContact CD1-CD1 3.8Å; L410-F422 HydrophobicContact CD1-CG 3.9Å; A412-F422 HydrophobicContact CB-CE1 4.4Å; A412-F422 HydrophobicContact CB-CE2 3.65Å; A412-F422 HydrophobicContact CB-CZ 3.53Å; W417-F422 HydrophobicContact CB-CB 4.08Å; W417-F422 HydrophobicContact CB-CD2 4.05Å; W417-F422 HydrophobicContact CB-CG 4.38Å; W417-F422 AromaticContact CD1-CD2 3.87Å; W417-F422 AromaticContact CD2-CD2 3.69Å; W417-F422 HydrophobicContact CD2-CD2 3.69Å; W417-F422 HydrophobicContact CD2-CE2 4.21Å; W417-F422 AromaticContact CE2-CD2 3.99Å; W417-F422 HydrophobicContact CE3-CD2 4.17Å; W417-F422 AromaticContact CG-CD2 3.62Å; W417-F422 HydrophobicContact CG-CD2 3.62Å; W417-F422 HydrophobicContact CG-CE2 4.25Å; W417-F422 HydrophobicContact CG-CG 4.41Å; W417-F422 AromaticContact NE1-CE2 3.96Å; H418-F422 PolarHBondContact O-N 2.94Å; F422-L431 HydrophobicContact CD1-CB 3.58Å; F422-L431 WeakPolarHBondContact CD1-O 3.41Å; F422-L431 HydrophobicContact CE1-CB 3.52Å; F422-L431 WeakPolarHBondContact CE1-O 3.33Å; F422-L431 HydrophobicContact CZ-CB 4.44Å; F422-L431 PolarHBondContact O-N 2.82Å; F422-F436 AromaticContact CE1-CD1 3.67Å; F422-F436 HydrophobicContact CE1-CD1 3.67Å; F422-F436 AromaticContact CE1-CE1 3.92Å; F422-F436 HydrophobicContact CE1-CE1 3.92Å; F422-F436 HydrophobicContact CE1-CG 4.2Å; F422-F436 AromaticContact CZ-CD1 3.65Å; F422-F436 HydrophobicContact CZ-CD1 3.65Å; F422-F436 HydrophobicContact CZ-CD2 4.14Å; F422-F436 AromaticContact CZ-CE1 3.65Å; F422-F436 HydrophobicContact CZ-CE1 3.65Å; F422-F436 HydrophobicContact CZ-CE2 4.14Å; F422-F436 AromaticContact CZ-CG 3.93Å; F422-F436 HydrophobicContact CZ-CG 3.93Å; F422-F436 AromaticContact CZ-CZ 3.92Å; F422-F436 HydrophobicContact CZ-CZ 3.92Å; F422-V443 HydrophobicContact CE2-CB 4.48Å; F422-V443 HydrophobicContact CE2-CG1 3.88Å; F422-V443 HydrophobicContact CE2-CG2 4.19Å; F422-V443 HydrophobicContact CZ-CG1 4.06Å
423	N	91.1	Very high	86.7	Confident	40 Å²	40	57.6 Å²	57.6	21%	0.214	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-126.4	150.7	-175.3	-53.2	-76.3	0	0	0	111.6	E420 E421 V425 T429 S430	E420-N423 PolarHBondContact O-ND2 3.34Å; E421-N423 VanDerWaalsContact C-N 3.32Å; E421-N423 WeakPolarHBondContact CA-ND2 3.42Å; E421-N423 PolarHBondContact O-N 3.14Å; E421-N423 PolarHBondContact O-ND2 2.94Å; E421-N423 VanDerWaalsContact O-ND2 3.15Å; N423-V425 PolarHBondContact O-N 2.91Å; N423-T429 CarbonylContact C-O 3.52Å; N423-T429 VanDerWaalsContact CA-O 3.31Å; N423-T429 WeakPolarHBondContact CA-O 3.33Å; N423-S430 WeakPolarHBondContact OD1-CA 3.45Å; N423-S430 WeakPolarHBondContact OD1-CB 3.44Å; N423-S430 PolarHBondContact OD1-N 3.47Å
424	C	90.9	Very high	86.8	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.321	C	S	.	.			trans	-61.3	133.8	174.7	171.9	0	0	0	0	111.6	H426 C427 R428 T429 L431 C445	C424-H426 VanDerWaalsContact C-N 3.3Å; C424-H426 PolarHBondContact O-N 3.46Å; C424-H426 PolarHBondContact SG-N 3.16Å; C424-C427 VanDerWaalsContact CB-SG 3.54Å; C424-R428 VanDerWaalsContact O-CA 3.24Å; C424-R428 WeakPolarHBondContact O-CA 3.02Å; C424-R428 PolarHBondContact O-N 3.49Å; C424-T429 PolarHBondContact N-O 3.04Å; C424-L431 HydrophobicContact CB-CD1 4.06Å; C424-L431 HydrophobicContact CB-CD2 4.32Å; C424-L431 HydrophobicContact CB-CG 4.28Å; C424-C445 HydrophobicContact CB-CB 4.29Å; C424-C445 PolarHBondContact SG-N 3.44Å; C424-C445 VanDerWaalsContact SG-N 3.45Å
425	V	90	Very high	86.8	Confident	61 Å²	61	56.8 Å²	56.8	37%	0.37	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-36.5	-178.6	175.4	0	0	0	0	113.1	N423 R428 V443 Y444	N423-V425 PolarHBondContact O-N 2.91Å; V425-R428 PolarHBondContact O-NE 2.71Å; V425-V443 PolarHBondContact N-O 2.75Å; V425-V443 VanDerWaalsContact N-O 3.13Å; V425-Y444 HydrophobicContact CB-CE1 4.04Å
426	H	88.1	Confident	86.9	Confident	96 Å²	96	52.5 Å²	52.5	44%	0.444	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-67.3	179	-81.1	-63.2	0	0	0	113.1	C424 Y444 C448 F453	C424-H426 VanDerWaalsContact C-N 3.3Å; C424-H426 PolarHBondContact O-N 3.46Å; C424-H426 PolarHBondContact SG-N 3.16Å; H426-Y444 AromaticContact CD2-CD1 3.68Å; H426-Y444 AromaticContact CD2-CE1 3.47Å; H426-Y444 VanDerWaalsContact CD2-CE1 3.47Å; H426-Y444 WeakPolarHBondContact CD2-CE1 3.29Å; H426-Y444 AromaticContact NE2-CE1 3.88Å; H426-C448 HydrophobicContact CB-CB 4.28Å; H426-F453 AromaticContact CD2-CE2 3.98Å; H426-F453 AromaticContact NE2-CE2 3.77Å; H426-F453 AromaticContact NE2-CZ 3.86Å
427	C	90.3	Very high	86.9	Confident	57 Å²	57	52 Å²	52	39%	0.385	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-9.4	-170.6	64.6	0	0	0	0	114.8	C424 T429	C424-C427 VanDerWaalsContact CB-SG 3.54Å; C427-T429 PolarHBondContact O-N 3.5Å; C427-T429 VanDerWaalsContact O-N 3.07Å; C427-T429 PolarHBondContact SG-OG1 3.36Å
428	R	89	Confident	86.9	Confident	162 Å²	162	54.9 Å²	54.9	61%	0.611	28%	0.28	S	S	*	.			trans	59.6	10.2	-177.6	-56.5	-64.3	177.2	157.4	0.3	116	C424 V425	C424-R428 VanDerWaalsContact O-CA 3.24Å; C424-R428 WeakPolarHBondContact O-CA 3.02Å; C424-R428 PolarHBondContact O-N 3.49Å; V425-R428 PolarHBondContact O-NE 2.71Å
429	T	89.3	Confident	86.9	Confident	68 Å²	68	55.2 Å²	55.2	42%	0.417	28%	0.281	S	S	.	.			trans	-62.3	139.1	166.4	-52.2	0	0	0	0	110.5	N423 C424 C427 I434	N423-T429 CarbonylContact C-O 3.52Å; N423-T429 VanDerWaalsContact CA-O 3.31Å; N423-T429 WeakPolarHBondContact CA-O 3.33Å; C424-T429 PolarHBondContact N-O 3.04Å; C427-T429 PolarHBondContact O-N 3.5Å; C427-T429 VanDerWaalsContact O-N 3.07Å; C427-T429 PolarHBondContact SG-OG1 3.36Å; T429-I434 HydrophobicContact CG2-CD1 4.03Å
430	S	89.6	Confident	86.9	Confident	41 Å²	41	60.4 Å²	60.4	29%	0.287	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-67	134.5	174.7	-177.4	0	0	0	0	111.3	K419 N423 A432	K419-S430 PolarHBondContact O-OG 2.81Å; N423-S430 WeakPolarHBondContact OD1-CA 3.45Å; N423-S430 WeakPolarHBondContact OD1-CB 3.44Å; N423-S430 PolarHBondContact OD1-N 3.47Å; S430-A432 WeakPolarHBondContact OG-CB 3.21Å; S430-A432 PolarHBondContact OG-N 2.95Å
431	L	89.1	Confident	87	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.005	29%	0.289	C	S	.	.			trans	-101.3	15.4	178.2	-62.2	172.4	0	0	0	111.3	F422 C424 I434 F436 V443 C445	F422-L431 HydrophobicContact CD1-CB 3.58Å; F422-L431 WeakPolarHBondContact CD1-O 3.41Å; F422-L431 HydrophobicContact CE1-CB 3.52Å; F422-L431 WeakPolarHBondContact CE1-O 3.33Å; F422-L431 HydrophobicContact CZ-CB 4.44Å; F422-L431 PolarHBondContact O-N 2.82Å; C424-L431 HydrophobicContact CB-CD1 4.06Å; C424-L431 HydrophobicContact CB-CD2 4.32Å; C424-L431 HydrophobicContact CB-CG 4.28Å; L431-I434 CarbonylContact C-O 3.56Å; L431-F436 HydrophobicContact CB-CB 4.28Å; L431-F436 HydrophobicContact CD1-CB 3.82Å; L431-F436 HydrophobicContact CD2-CB 4.1Å; L431-F436 HydrophobicContact CG-CB 4.29Å; L431-V443 HydrophobicContact CD1-CB 3.78Å; L431-V443 HydrophobicContact CD1-CG2 3.72Å; L431-C445 HydrophobicContact CD2-CB 3.67Å
432	A	84.1	Confident	87.2	Confident	6 Å²	6	55.3 Å²	55.3	5%	0.05	29%	0.294	C	S	.	.	S	Bend	trans	-74.8	-32	-175.4	0	0	0	0	0	113.6	H387 L410 K419 S430	H387-A432 PolarHBondContact CE1-O 3.24Å; L410-A432 HydrophobicContact CD1-CB 3.66Å; K419-A432 HydrophobicContact CD-CB 4.05Å; K419-A432 HydrophobicContact CG-CB 3.39Å; S430-A432 WeakPolarHBondContact OG-CB 3.21Å; S430-A432 PolarHBondContact OG-N 2.95Å
433	D	81	Confident	87.2	Confident	121 Å²	121	55.7 Å²	55.7	65%	0.647	30%	0.297	S	S	*	.	S	Bend	trans	-122.6	10.4	179.7	-50.3	-68.8	0	0	0	111.5	H387 K419	H387-D433 IonicContact CE1-OD1 3.42Å; K419-D433 WeakPolarHBondContact CE-OD1 3.36Å; K419-D433 WeakPolarHBondContact CE-OD2 3.32Å; K419-D433 IonicContact NZ-OD1 3.48Å; K419-D433 PolarHBondContact NZ-OD1 3.38Å; K419-D433 IonicContact NZ-OD2 2.74Å; K419-D433 PolarHBondContact NZ-OD2 3.17Å
434	I	83.1	Confident	87.1	Confident	87 Å²	87	55 Å²	55	45%	0.446	29%	0.291	S	S	.	.	S	Bend	trans	-130.5	133.1	179.8	-53.3	178	0	0	0	107.1	T429 L431	T429-I434 HydrophobicContact CG2-CD1 4.03Å; L431-I434 CarbonylContact C-O 3.56Å
435	G	81.9	Confident	87.1	Confident	14 Å²	14	55.6 Å²	55.6	14%	0.144	30%	0.296	C	S	.	.			trans	-66.3	155.5	179.3	0	0	0	0	0	113.7	Q383	Q383-G435 CarbonylContact O-C 3.55Å; Q383-G435 WeakPolarHBondContact O-CA 3.47Å
436	F	88.1	Confident	86.9	Confident	1 Å²	1	55.8 Å²	55.8	0%	0.004	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	163.4	-170.1	70.6	-86.2	0	0	0	112.6	Q383 A385 A412 M413 F422 L431 V443 Y444	Q383-F436 HydrophobicContact CB-CD1 4.28Å; Q383-F436 HydrophobicContact CB-CD2 4.49Å; Q383-F436 HydrophobicContact CB-CE1 3.75Å; Q383-F436 HydrophobicContact CB-CE2 3.99Å; Q383-F436 HydrophobicContact CB-CZ 3.56Å; Q383-F436 PolarHBondContact N-O 3.42Å; Q383-F436 WeakPolarHBondContact O-CD1 3.12Å; Q383-F436 WeakPolarHBondContact O-CE1 3.36Å; Q383-F436 PolarHBondContact O-N 2.9Å; A385-F436 HydrophobicContact CB-CE1 4.33Å; A412-F436 HydrophobicContact CB-CE1 4Å; A412-F436 HydrophobicContact CB-CE2 4.42Å; A412-F436 HydrophobicContact CB-CZ 3.61Å; M413-F436 HydrophobicContact CG-CE2 4.13Å; M413-F436 HydrophobicContact SD-CE2 4.39Å; F422-F436 AromaticContact CE1-CD1 3.67Å; F422-F436 HydrophobicContact CE1-CD1 3.67Å; F422-F436 AromaticContact CE1-CE1 3.92Å; F422-F436 HydrophobicContact CE1-CE1 3.92Å; F422-F436 HydrophobicContact CE1-CG 4.2Å; F422-F436 AromaticContact CZ-CD1 3.65Å; F422-F436 HydrophobicContact CZ-CD1 3.65Å; F422-F436 HydrophobicContact CZ-CD2 4.14Å; F422-F436 AromaticContact CZ-CE1 3.65Å; F422-F436 HydrophobicContact CZ-CE1 3.65Å; F422-F436 HydrophobicContact CZ-CE2 4.14Å; F422-F436 AromaticContact CZ-CG 3.93Å; F422-F436 HydrophobicContact CZ-CG 3.93Å; F422-F436 AromaticContact CZ-CZ 3.92Å; F422-F436 HydrophobicContact CZ-CZ 3.92Å; L431-F436 HydrophobicContact CB-CB 4.28Å; L431-F436 HydrophobicContact CD1-CB 3.82Å; L431-F436 HydrophobicContact CD2-CB 4.1Å; L431-F436 HydrophobicContact CG-CB 4.29Å; F436-V443 HydrophobicContact CD2-CB 4.24Å; F436-V443 HydrophobicContact CD2-CG1 3.75Å; F436-V443 HydrophobicContact CE2-CG1 4.05Å; F436-Y444 WeakPolarHBondContact CA-O 3.44Å; F436-Y444 WeakPolarHBondContact CB-O 3.36Å
437	V	87.1	Confident	87	Confident	11 Å²	11	57.1 Å²	57.1	7%	0.067	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.3	171.3	-172.2	0	0	0	0	109.1	L381 Y444 Y449	L381-V437 HydrophobicContact CB-CG2 4.42Å; V437-Y444 PolarHBondContact N-O 2.74Å; V437-Y444 PolarHBondContact O-N 3.45Å; V437-Y449 HydrophobicContact CB-CD2 3.92Å; V437-Y449 HydrophobicContact CB-CE2 4.38Å; V437-Y449 HydrophobicContact CB-CG 4.07Å; V437-Y449 HydrophobicContact CG1-CD2 3.69Å; V437-Y449 HydrophobicContact CG1-CE1 4.49Å; V437-Y449 HydrophobicContact CG1-CE2 3.63Å; V437-Y449 HydrophobicContact CG1-CG 4.15Å; V437-Y449 HydrophobicContact CG2-CD1 4.24Å; V437-Y449 HydrophobicContact CG2-CD2 4.37Å; V437-Y449 HydrophobicContact CG2-CG 4.03Å
438	E	88.1	Confident	86.9	Confident	86 Å²	86	54.8 Å²	54.8	40%	0.402	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	126.2	167.5	-177.1	-173.9	171.3	0	0	109.8	M413 G441 S442	M413-E438 HydrophobicContact CE-CG 3.76Å; M413-E438 WeakPolarHBondContact CE-OE1 3.2Å; M413-E438 HydrophobicContact CG-CB 4.28Å; M413-E438 HydrophobicContact CG-CG 4.34Å; M413-E438 VanDerWaalsContact CG-OE2 3.32Å; M413-E438 WeakPolarHBondContact CG-OE2 3.48Å; M413-E438 HydrophobicContact SD-CB 4.14Å; M413-E438 HydrophobicContact SD-CG 3.93Å; E438-G441 VanDerWaalsContact OE1-CA 3.23Å; E438-G441 WeakPolarHBondContact OE1-CA 3.4Å; E438-G441 PolarHBondContact OE1-N 2.97Å; E438-S442 WeakPolarHBondContact CA-O 3.16Å
439	E	86.1	Confident	86.9	Confident	52 Å²	52	48.4 Å²	48.4	24%	0.243	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	119.2	167.9	175.8	64.8	-149.3	0	0	108.2	G441 S442 Y444 F453	E439-G441 VanDerWaalsContact C-N 3.31Å; E439-G441 PolarHBondContact O-N 3.45Å; E439-S442 PolarHBondContact N-O 3.3Å; E439-S442 PolarHBondContact O-N 2.96Å; E439-S442 VanDerWaalsContact O-N 3.07Å; E439-Y444 HydrophobicContact CB-CD2 3.93Å; E439-Y444 HydrophobicContact CB-CE2 3.75Å; E439-Y444 HydrophobicContact CG-CE2 4.49Å; E439-F453 HydrophobicContact CG-CD1 4.2Å; E439-F453 HydrophobicContact CG-CE1 4.47Å
440	K	84.4	Confident	86.9	Confident	177 Å²	177	48.9 Å²	48.9	77%	0.77	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	39.5	179.3	-56.2	176.5	179.7	77.9	0	114.5	S442	K440-S442 VanDerWaalsContact C-N 3.31Å; K440-S442 PolarHBondContact O-N 2.87Å
441	G	83.2	Confident	86.7	Confident	34 Å²	34	52.3 Å²	52.3	35%	0.351	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	6.9	179.8	0	0	0	0	0	115.4	E438 E439	E438-G441 VanDerWaalsContact OE1-CA 3.23Å; E438-G441 WeakPolarHBondContact OE1-CA 3.4Å; E438-G441 PolarHBondContact OE1-N 2.97Å; E439-G441 VanDerWaalsContact C-N 3.31Å; E439-G441 PolarHBondContact O-N 3.45Å
442	S	87.8	Confident	86.5	Confident	45 Å²	45	57.6 Å²	57.6	32%	0.315	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	148.5	175.7	-67	0	0	0	0	111	E438 E439 K440 Y444	E438-S442 WeakPolarHBondContact CA-O 3.16Å; E439-S442 PolarHBondContact N-O 3.3Å; E439-S442 PolarHBondContact O-N 2.96Å; E439-S442 VanDerWaalsContact O-N 3.07Å; K440-S442 VanDerWaalsContact C-N 3.31Å; K440-S442 PolarHBondContact O-N 2.87Å; S442-Y444 WeakPolarHBondContact O-CD2 3.33Å; S442-Y444 WeakPolarHBondContact O-CE2 3.47Å
443	V	88.2	Confident	86.7	Confident	10 Å²	10	60.7 Å²	60.7	6%	0.061	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	136.6	-178.6	-66.8	0	0	0	0	113.2	M413 F422 V425 L431 F436	M413-V443 HydrophobicContact SD-CG1 3.31Å; M413-V443 WeakPolarHBondContact SD-CG1 3.22Å; F422-V443 HydrophobicContact CE2-CB 4.48Å; F422-V443 HydrophobicContact CE2-CG1 3.88Å; F422-V443 HydrophobicContact CE2-CG2 4.19Å; F422-V443 HydrophobicContact CZ-CG1 4.06Å; V425-V443 PolarHBondContact N-O 2.75Å; V425-V443 VanDerWaalsContact N-O 3.13Å; L431-V443 HydrophobicContact CD1-CB 3.78Å; L431-V443 HydrophobicContact CD1-CG2 3.72Å; F436-V443 HydrophobicContact CD2-CB 4.24Å; F436-V443 HydrophobicContact CD2-CG1 3.75Å; F436-V443 HydrophobicContact CE2-CG1 4.05Å
444	Y	90.1	Very high	87	Confident	24 Å²	24	55.2 Å²	55.2	9%	0.094	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	144.3	-179	-57.5	-86.1	0	0	0	110.5	V425 H426 F436 V437 E439 S442 F453	V425-Y444 HydrophobicContact CB-CE1 4.04Å; H426-Y444 AromaticContact CD2-CD1 3.68Å; H426-Y444 AromaticContact CD2-CE1 3.47Å; H426-Y444 VanDerWaalsContact CD2-CE1 3.47Å; H426-Y444 WeakPolarHBondContact CD2-CE1 3.29Å; H426-Y444 AromaticContact NE2-CE1 3.88Å; F436-Y444 WeakPolarHBondContact CA-O 3.44Å; F436-Y444 WeakPolarHBondContact CB-O 3.36Å; V437-Y444 PolarHBondContact N-O 2.74Å; V437-Y444 PolarHBondContact O-N 3.45Å; E439-Y444 HydrophobicContact CB-CD2 3.93Å; E439-Y444 HydrophobicContact CB-CE2 3.75Å; E439-Y444 HydrophobicContact CG-CE2 4.49Å; S442-Y444 WeakPolarHBondContact O-CD2 3.33Å; S442-Y444 WeakPolarHBondContact O-CE2 3.47Å; Y444-F453 AromaticContact CD1-CE2 3.97Å; Y444-F453 HydrophobicContact CD1-CE2 3.97Å; Y444-F453 AromaticContact CE1-CE2 3.8Å; Y444-F453 HydrophobicContact CE1-CE2 3.8Å; Y444-F453 HydrophobicContact CE1-CZ 4.07Å; Y444-F453 HydrophobicContact CG-CE2 4.45Å
445	C	90.5	Very high	87.4	Confident	14 Å²	14	52.9 Å²	52.9	10%	0.095	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	154.9	165.2	66.2	0	0	0	0	109.6	C424 L431 H447 C448 Y449	C424-C445 HydrophobicContact CB-CB 4.29Å; C424-C445 PolarHBondContact SG-N 3.44Å; C424-C445 VanDerWaalsContact SG-N 3.45Å; L431-C445 HydrophobicContact CD2-CB 3.67Å; C445-H447 VanDerWaalsContact C-N 3.29Å; C445-H447 PolarHBondContact O-N 3.13Å; C445-C448 PolarHBondContact O-N 3.32Å; C445-C448 VanDerWaalsContact O-N 3.16Å; C445-C448 PolarHBondContact SG-N 2.92Å; C445-C448 VanDerWaalsContact SG-SG 3.61Å; C445-Y449 PolarHBondContact O-N 3.13Å
446	E	86.7	Confident	87.9	Confident	64 Å²	64	54.9 Å²	54.9	30%	0.299	28%	0.275	S	S	.	.	H	α-helix	trans	-45	-49.1	175.6	-178.4	168.5	-133.1	0	0	113.4	C448 Y449 E450 L465	E446-C448 PolarHBondContact O-N 2.98Å; E446-Y449 WeakPolarHBondContact O-CB 3.42Å; E446-Y449 PolarHBondContact O-N 3.46Å; E446-Y449 VanDerWaalsContact O-N 3.17Å; E446-E450 PolarHBondContact O-N 3.26Å; E446-L465 HydrophobicContact CG-CD1 4.12Å
447	H	88.3	Confident	88.1	Confident	124 Å²	124	54.9 Å²	54.9	57%	0.574	28%	0.275	S	S	*	.	H	α-helix	trans	-63.8	-43.7	-179.4	-174.9	46.5	0	0	0	113.8	C445 Y449 E450 E451	C445-H447 VanDerWaalsContact C-N 3.29Å; C445-H447 PolarHBondContact O-N 3.13Å; H447-Y449 VanDerWaalsContact C-N 3.3Å; H447-Y449 PolarHBondContact O-N 3.07Å; H447-E450 PolarHBondContact O-N 3.47Å; H447-E451 PolarHBondContact O-N 3.3Å
448	C	90	Very high	88.3	Confident	9 Å²	9	55.9 Å²	55.9	6%	0.061	28%	0.282	C	S	.	.	H	α-helix	trans	-72.3	-25.2	175.3	-69.5	0	0	0	0	112.4	H426 C445 E446 F452	H426-C448 HydrophobicContact CB-CB 4.28Å; C445-C448 PolarHBondContact O-N 3.32Å; C445-C448 VanDerWaalsContact O-N 3.16Å; C445-C448 PolarHBondContact SG-N 2.92Å; C445-C448 VanDerWaalsContact SG-SG 3.61Å; E446-C448 PolarHBondContact O-N 2.98Å; C448-F452 WeakPolarHBondContact O-CD2 3.47Å; C448-F452 PolarHBondContact O-N 3.36Å
449	Y	89.1	Confident	88.3	Confident	28 Å²	28	57.1 Å²	57.1	11%	0.11	28%	0.284	C	S	.	.	H	α-helix	trans	-68.9	-47.6	169.7	-174.6	-96.5	0	0	0	110.8	L381 V437 C445 E446 H447 E451 F453 A454 L465	L381-Y449 HydrophobicContact CD1-CD1 4.44Å; L381-Y449 HydrophobicContact CD1-CE1 3.77Å; V437-Y449 HydrophobicContact CB-CD2 3.92Å; V437-Y449 HydrophobicContact CB-CE2 4.38Å; V437-Y449 HydrophobicContact CB-CG 4.07Å; V437-Y449 HydrophobicContact CG1-CD2 3.69Å; V437-Y449 HydrophobicContact CG1-CE1 4.49Å; V437-Y449 HydrophobicContact CG1-CE2 3.63Å; V437-Y449 HydrophobicContact CG1-CG 4.15Å; V437-Y449 HydrophobicContact CG2-CD1 4.24Å; V437-Y449 HydrophobicContact CG2-CD2 4.37Å; V437-Y449 HydrophobicContact CG2-CG 4.03Å; C445-Y449 PolarHBondContact O-N 3.13Å; E446-Y449 WeakPolarHBondContact O-CB 3.42Å; E446-Y449 PolarHBondContact O-N 3.46Å; E446-Y449 VanDerWaalsContact O-N 3.17Å; H447-Y449 VanDerWaalsContact C-N 3.3Å; H447-Y449 PolarHBondContact O-N 3.07Å; Y449-E451 PolarHBondContact O-N 3.07Å; Y449-F453 HydrophobicContact CD2-CB 3.8Å; Y449-F453 HydrophobicContact CD2-CG 4.47Å; Y449-F453 HydrophobicContact CE2-CB 3.82Å; Y449-F453 HydrophobicContact CG-CB 4.44Å; Y449-F453 CarbonylContact O-C 3.48Å; Y449-F453 WeakPolarHBondContact O-CA 3.34Å; Y449-F453 PolarHBondContact O-N 2.98Å; Y449-A454 HydrophobicContact CD1-CB 4.08Å; Y449-A454 HydrophobicContact CE1-CB 3.94Å; Y449-A454 PolarHBondContact O-N 2.95Å; Y449-L465 HydrophobicContact CD1-CD2 3.9Å; Y449-L465 HydrophobicContact CE1-CD2 4.36Å
450	E	87.9	Confident	88.6	Confident	78 Å²	78	57.6 Å²	57.6	36%	0.364	29%	0.292	S	S	.	.	H	α-helix	trans	-55.6	-52.2	177.5	-166.5	-164.5	-178.5	0	0	111.8	E446 H447 K463 L465	E446-E450 PolarHBondContact O-N 3.26Å; H447-E450 PolarHBondContact O-N 3.47Å; E450-K463 HydrophobicContact CG-CB 3.85Å; E450-K463 HydrophobicContact CG-CG 3.96Å; E450-K463 WeakPolarHBondContact O-CE 3.28Å; E450-K463 PolarHBondContact O-NZ 3.15Å; E450-L465 HydrophobicContact CB-CD1 4.48Å; E450-L465 HydrophobicContact CB-CD2 4.07Å; E450-L465 HydrophobicContact CG-CD1 4.37Å; E450-L465 HydrophobicContact CG-CD2 4.25Å; E450-L465 HydrophobicContact CG-CG 4.46Å
451	E	86.8	Confident	88.9	Confident	112 Å²	112	55.7 Å²	55.7	52%	0.523	29%	0.285	S	S	.	.	H	α-helix	trans	-62.4	-57.4	-175.4	-172.3	174.1	-162.4	0	0	111.6	H447 Y449 K463	H447-E451 PolarHBondContact O-N 3.3Å; Y449-E451 PolarHBondContact O-N 3.07Å; E451-K463 PolarHBondContact O-NZ 2.85Å
452	F	84.8	Confident	89.2	Confident	113 Å²	113	56.4 Å²	56.4	50%	0.496	29%	0.288	S	S	.	.	H	α-helix	trans	-96	-24.8	-166.4	-60.3	-69.8	0	0	0	115.5	C448	C448-F452 WeakPolarHBondContact O-CD2 3.47Å; C448-F452 PolarHBondContact O-N 3.36Å
453	F	86.8	Confident	89.3	Confident	71 Å²	71	57.1 Å²	57.1	31%	0.311	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.9	-34.4	-167.7	-61	-77.8	0	0	0	114.6	H426 E439 Y444 Y449	H426-F453 AromaticContact CD2-CE2 3.98Å; H426-F453 AromaticContact NE2-CE2 3.77Å; H426-F453 AromaticContact NE2-CZ 3.86Å; E439-F453 HydrophobicContact CG-CD1 4.2Å; E439-F453 HydrophobicContact CG-CE1 4.47Å; Y444-F453 AromaticContact CD1-CE2 3.97Å; Y444-F453 HydrophobicContact CD1-CE2 3.97Å; Y444-F453 AromaticContact CE1-CE2 3.8Å; Y444-F453 HydrophobicContact CE1-CE2 3.8Å; Y444-F453 HydrophobicContact CE1-CZ 4.07Å; Y444-F453 HydrophobicContact CG-CE2 4.45Å; Y449-F453 HydrophobicContact CD2-CB 3.8Å; Y449-F453 HydrophobicContact CD2-CG 4.47Å; Y449-F453 HydrophobicContact CE2-CB 3.82Å; Y449-F453 HydrophobicContact CG-CB 4.44Å; Y449-F453 CarbonylContact O-C 3.48Å; Y449-F453 WeakPolarHBondContact O-CA 3.34Å; Y449-F453 PolarHBondContact O-N 2.98Å
454	A	88.3	Confident	89.4	Confident	5 Å²	5	56.7 Å²	56.7	4%	0.041	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-62	134.3	-174.3	0	0	0	0	0	111.9	Y449 K463 L465	Y449-A454 HydrophobicContact CD1-CB 4.08Å; Y449-A454 HydrophobicContact CE1-CB 3.94Å; Y449-A454 PolarHBondContact O-N 2.95Å; A454-K463 HydrophobicContact CB-CB 4.28Å; A454-K463 HydrophobicContact CB-CD 4.14Å; A454-K463 VanDerWaalsContact O-CD 3.24Å; A454-K463 WeakPolarHBondContact O-CD 3.48Å; A454-K463 PolarHBondContact O-NZ 3.2Å; A454-L465 HydrophobicContact CB-CD2 4.11Å
455	P	90.5	Very high	89.1	Confident	38 Å²	38	56.4 Å²	56.4	25%	0.247	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-74.7	152	179.9	29.6	-33.1	0	0	0	111.5	K463 I464 V468 T475	P455-K463 CarbonylContact O-C 3.59Å; P455-I464 HydrophobicContact CG-CB 4.34Å; P455-I464 HydrophobicContact CG-CD1 4.33Å; P455-I464 PolarHBondContact O-N 3.15Å; P455-V468 HydrophobicContact CG-CG1 3.9Å; P455-T475 HydrophobicContact CB-CG2 3.94Å; P455-T475 HydrophobicContact CG-CG2 4.4Å
456	T	92.1	Very high	88.5	Confident	57 Å²	57	56 Å²	56	35%	0.35	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-85.9	137.6	176.5	-54.2	0	0	0	0	110.8	Q461 T475	T456-Q461 HydrophobicContact CG2-CB 4.5Å; T456-Q461 WeakPolarHBondContact CG2-O 3.43Å; T456-T475 PolarHBondContact O-OG1 3.48Å
457	C	93.8	Very high	88.3	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-79.1	129.6	171.5	171	0	0	0	0	111.8	R459 C460 Q461 A462 I464 T475 H477 C480	C457-R459 VanDerWaalsContact C-N 3.29Å; C457-R459 PolarHBondContact O-N 3.45Å; C457-R459 PolarHBondContact SG-N 2.94Å; C457-R459 VanDerWaalsContact SG-N 3.43Å; C457-C460 VanDerWaalsContact CB-SG 3.56Å; C457-C460 VanDerWaalsContact SG-SG 3.69Å; C457-Q461 WeakPolarHBondContact O-CA 3.39Å; C457-Q461 PolarHBondContact O-N 3.28Å; C457-A462 PolarHBondContact N-O 3.28Å; C457-I464 HydrophobicContact CB-CD1 3.92Å; C457-I464 HydrophobicContact CB-CG1 3.77Å; C457-T475 WeakPolarHBondContact CA-O 3.05Å; C457-H477 WeakPolarHBondContact CB-CE1 3.42Å; C457-H477 WeakPolarHBondContact CB-ND1 3.38Å; C457-C480 WeakPolarHBondContact SG-CB 3.45Å; C457-C480 VanDerWaalsContact SG-SG 3.68Å
458	S	90.8	Very high	88.3	Confident	32 Å²	32	55.6 Å²	55.6	22%	0.224	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-22.1	-175.4	-54.2	0	0	0	0	114.5	Q461 Q474 T475	S458-Q461 PolarHBondContact O-NE2 3.46Å; S458-Q474 VanDerWaalsContact CB-OE1 3.24Å; S458-Q474 WeakPolarHBondContact OG-CB 3.17Å; S458-Q474 PolarHBondContact OG-OE1 3.22Å; S458-T475 PolarHBondContact N-O 2.87Å; S458-T475 PolarHBondContact OG-O 3.02Å
459	R	88.7	Confident	88.3	Confident	113 Å²	113	56.7 Å²	56.7	43%	0.426	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-49.6	177	-166.2	170.1	-174.7	155.5	2	113.8	C457 W476 C480	C457-R459 VanDerWaalsContact C-N 3.29Å; C457-R459 PolarHBondContact O-N 3.45Å; C457-R459 PolarHBondContact SG-N 2.94Å; C457-R459 VanDerWaalsContact SG-N 3.43Å; R459-W476 HydrophobicContact CB-CE3 3.92Å; R459-W476 HydrophobicContact CB-CZ3 3.83Å; R459-C480 HydrophobicContact CB-CB 3.88Å; R459-C480 WeakPolarHBondContact CD-O 3.24Å; R459-C480 PolarHBondContact NH1-O 3.45Å
460	C	92.1	Very high	88.4	Confident	61 Å²	61	61.3 Å²	61.3	41%	0.412	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-10.9	-172.2	67.3	0	0	0	0	113.8	C457 A462 H477	C457-C460 VanDerWaalsContact CB-SG 3.56Å; C457-C460 VanDerWaalsContact SG-SG 3.69Å; C460-A462 PolarHBondContact O-N 3.26Å; C460-A462 VanDerWaalsContact O-N 3.11Å; C460-H477 PolarHBondContact SG-CE1 3.14Å; C460-H477 PolarHBondContact SG-ND1 3.29Å; C460-H477 VanDerWaalsContact SG-ND1 3.43Å
461	Q	90.3	Very high	88.4	Confident	137 Å²	137	57.9 Å²	57.9	64%	0.64	30%	0.3	S	S	*	.			trans	60	12	-177.5	-57	-65.1	-39.3	0	0	115.1	T456 C457 S458	T456-Q461 HydrophobicContact CG2-CB 4.5Å; T456-Q461 WeakPolarHBondContact CG2-O 3.43Å; C457-Q461 WeakPolarHBondContact O-CA 3.39Å; C457-Q461 PolarHBondContact O-N 3.28Å; S458-Q461 PolarHBondContact O-NE2 3.46Å
462	A	89.4	Confident	88.4	Confident	49 Å²	49	55.7 Å²	55.7	41%	0.405	29%	0.292	S	S	.	.			trans	-84.6	159.8	168.7	0	0	0	0	0	111.5	C457 C460 H477	C457-A462 PolarHBondContact N-O 3.28Å; C460-A462 PolarHBondContact O-N 3.26Å; C460-A462 VanDerWaalsContact O-N 3.11Å; A462-H477 WeakPolarHBondContact CB-CE1 3.45Å; A462-H477 PolarHBondContact O-CE1 2.8Å
463	K	90.8	Very high	88.5	Confident	60 Å²	60	60.7 Å²	60.7	26%	0.261	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-64.5	147	170.8	-66.9	-69.6	-162.5	133.5	0	110.6	E450 E451 A454 P455 H477	E450-K463 HydrophobicContact CG-CB 3.85Å; E450-K463 HydrophobicContact CG-CG 3.96Å; E450-K463 WeakPolarHBondContact O-CE 3.28Å; E450-K463 PolarHBondContact O-NZ 3.15Å; E451-K463 PolarHBondContact O-NZ 2.85Å; A454-K463 HydrophobicContact CB-CB 4.28Å; A454-K463 HydrophobicContact CB-CD 4.14Å; A454-K463 VanDerWaalsContact O-CD 3.24Å; A454-K463 WeakPolarHBondContact O-CD 3.48Å; A454-K463 PolarHBondContact O-NZ 3.2Å; P455-K463 CarbonylContact O-C 3.59Å; K463-H477 PolarHBondContact O-CE1 3.34Å; K463-H477 PolarHBondContact O-NE2 2.81Å
464	I	89.8	Confident	88.7	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.005	32%	0.318	C	S	.	.			trans	-101.4	105.9	173.8	-51	161.3	0	0	0	108.6	P455 C457 V468 H477	P455-I464 HydrophobicContact CG-CB 4.34Å; P455-I464 HydrophobicContact CG-CD1 4.33Å; P455-I464 PolarHBondContact O-N 3.15Å; C457-I464 HydrophobicContact CB-CD1 3.92Å; C457-I464 HydrophobicContact CB-CG1 3.77Å; I464-V468 HydrophobicContact CB-CG1 4.07Å; I464-V468 HydrophobicContact CD1-CG1 4.11Å; I464-V468 HydrophobicContact CG2-CG1 3.65Å; I464-H477 WeakPolarHBondContact CA-NE2 3.47Å
465	L	83.5	Confident	88.9	Confident	18 Å²	18	63 Å²	63	9%	0.094	33%	0.326	C	S	.	.			trans	-95.5	126.8	156.7	-54.7	179.3	0	0	0	106.2	D377 E378 E446 Y449 E450 A454	D377-L465 WeakPolarHBondContact CB-O 3.04Å; E378-L465 HydrophobicContact CG-CB 4.45Å; E378-L465 HydrophobicContact CG-CD1 4.38Å; E446-L465 HydrophobicContact CG-CD1 4.12Å; Y449-L465 HydrophobicContact CD1-CD2 3.9Å; Y449-L465 HydrophobicContact CE1-CD2 4.36Å; E450-L465 HydrophobicContact CB-CD1 4.48Å; E450-L465 HydrophobicContact CB-CD2 4.07Å; E450-L465 HydrophobicContact CG-CD1 4.37Å; E450-L465 HydrophobicContact CG-CD2 4.25Å; E450-L465 HydrophobicContact CG-CG 4.46Å; A454-L465 HydrophobicContact CB-CD2 4.11Å
466	G	78.7	Confident	89	Confident	5 Å²	5	62.9 Å²	62.9	5%	0.052	32%	0.321	C	S	.	.	S	Bend	trans	120.1	-165.1	-176.8	0	0	0	0	0	114.3	D377	D377-G466 WeakPolarHBondContact O-CA 3.12Å
467	E	82	Confident	89	Confident	118 Å²	118	61.6 Å²	61.6	55%	0.551	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-64.9	130.1	173.6	-64.2	-178.6	143.5	0	0	111.3	T380 I478	T380-E467 HydrophobicContact CG2-CG 3.76Å; E467-I478 HydrophobicContact CB-CD1 3.63Å; E467-I478 HydrophobicContact CB-CG1 4.45Å; E467-I478 HydrophobicContact CG-CD1 4.46Å; E467-I478 WeakPolarHBondContact OE2-CD1 3.36Å
468	V	88.9	Confident	88.7	Confident	63 Å²	63	62.5 Å²	62.5	38%	0.382	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	132.4	-179.6	-67.7	0	0	0	0	112.2	P455 I464	P455-V468 HydrophobicContact CG-CG1 3.9Å; I464-V468 HydrophobicContact CB-CG1 4.07Å; I464-V468 HydrophobicContact CD1-CG1 4.11Å; I464-V468 HydrophobicContact CG2-CG1 3.65Å
469	I	88.8	Confident	88.7	Confident	32 Å²	32	64.5 Å²	64.5	16%	0.164	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	121.7	164.8	-66.6	-175.3	0	0	0	108.8	A471 W476 I478 F481	I469-A471 HydrophobicContact CG2-CB 3.91Å; I469-W476 HydrophobicContact CB-CB 4.35Å; I469-W476 PolarHBondContact N-O 3.06Å; I469-W476 PolarHBondContact O-N 3.21Å; I469-I478 HydrophobicContact CD1-CB 4.35Å; I469-I478 HydrophobicContact CD1-CG1 4.01Å; I469-I478 HydrophobicContact CG1-CG1 3.96Å; I469-F481 HydrophobicContact CD1-CB 4.01Å; I469-F481 HydrophobicContact CD1-CD1 4.21Å; I469-F481 HydrophobicContact CD1-CG 4.47Å; I469-F481 HydrophobicContact CG2-CB 4.25Å; I469-F481 HydrophobicContact CG2-CD1 3.96Å; I469-F481 HydrophobicContact CG2-CE1 4.48Å; I469-F481 HydrophobicContact CG2-CG 4Å
470	N	91	Very high	88.8	Confident	124 Å²	124	60.1 Å²	60.1	66%	0.663	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	96.5	174	-71.7	-59	0	0	0	109.4	T475	N470-T475 WeakPolarHBondContact OD1-CG2 3.37Å
471	A	88.4	Confident	88.8	Confident	7 Å²	7	57.4 Å²	57.4	6%	0.058	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	146.4	-175.3	0	0	0	0	0	110.9	I469 K473 Q474 W476 F481 F495	I469-A471 HydrophobicContact CG2-CB 3.91Å; A471-K473 PolarHBondContact O-N 2.9Å; A471-Q474 PolarHBondContact N-O 2.92Å; A471-Q474 CarbonylContact O-C 3.53Å; A471-Q474 WeakPolarHBondContact O-CA 3.47Å; A471-Q474 WeakPolarHBondContact O-CB 3.45Å; A471-Q474 PolarHBondContact O-N 3.24Å; A471-W476 PolarHBondContact O-NE1 3.42Å; A471-F481 HydrophobicContact CB-CD2 4.18Å; A471-F481 HydrophobicContact CB-CE1 4.25Å; A471-F481 HydrophobicContact CB-CE2 3.56Å; A471-F481 HydrophobicContact CB-CZ 3.61Å; A471-F495 HydrophobicContact CB-CE1 4.38Å; A471-F495 HydrophobicContact CB-CZ 4.14Å
472	L	87.5	Confident	88.9	Confident	65 Å²	65	53.1 Å²	53.1	34%	0.34	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	31.9	179.9	-48.7	-178.5	0	0	0	114.2	Q474 F495 L497	L472-Q474 PolarHBondContact O-N 3.26Å; L472-F495 HydrophobicContact CD2-CE2 4.34Å; L472-L497 HydrophobicContact CD1-CD1 3.99Å; L472-L497 HydrophobicContact CD2-CD1 3.64Å; L472-L497 HydrophobicContact CD2-CD2 3.58Å; L472-L497 HydrophobicContact CD2-CG 4.22Å; L472-L497 HydrophobicContact CG-CD1 4.48Å
473	K	87.1	Confident	89	Confident	219 Å²	219	50.8 Å²	50.8	95%	0.952	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	24.7	-172.1	-49.3	178.9	-178	175.6	0	113.8	A471	A471-K473 PolarHBondContact O-N 2.9Å
474	Q	91.3	Very high	89	Confident	90 Å²	90	49.1 Å²	49.1	42%	0.421	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	154.5	-175	-80.3	-179.3	5.4	0	0	111.3	S458 A471 L472 W476	S458-Q474 VanDerWaalsContact CB-OE1 3.24Å; S458-Q474 WeakPolarHBondContact OG-CB 3.17Å; S458-Q474 PolarHBondContact OG-OE1 3.22Å; A471-Q474 PolarHBondContact N-O 2.92Å; A471-Q474 CarbonylContact O-C 3.53Å; A471-Q474 WeakPolarHBondContact O-CA 3.47Å; A471-Q474 WeakPolarHBondContact O-CB 3.45Å; A471-Q474 PolarHBondContact O-N 3.24Å; L472-Q474 PolarHBondContact O-N 3.26Å; Q474-W476 HydrophobicContact CB-CZ2 4Å; Q474-W476 VanDerWaalsContact O-CD1 3.25Å; Q474-W476 PolarHBondContact O-NE1 3.02Å
475	T	92.2	Very high	89	Confident	34 Å²	34	51.2 Å²	51.2	21%	0.209	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	140.6	175	36.5	0	0	0	0	111.4	P455 T456 C457 S458 N470	P455-T475 HydrophobicContact CB-CG2 3.94Å; P455-T475 HydrophobicContact CG-CG2 4.4Å; T456-T475 PolarHBondContact O-OG1 3.48Å; C457-T475 WeakPolarHBondContact CA-O 3.05Å; S458-T475 PolarHBondContact N-O 2.87Å; S458-T475 PolarHBondContact OG-O 3.02Å; N470-T475 WeakPolarHBondContact OD1-CG2 3.37Å
476	W	92.4	Very high	89.4	Confident	35 Å²	35	52.6 Å²	52.6	13%	0.133	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	143.2	-178	-45.2	79	0	0	0	111.6	R459 I469 A471 Q474 F481	R459-W476 HydrophobicContact CB-CE3 3.92Å; R459-W476 HydrophobicContact CB-CZ3 3.83Å; I469-W476 HydrophobicContact CB-CB 4.35Å; I469-W476 PolarHBondContact N-O 3.06Å; I469-W476 PolarHBondContact O-N 3.21Å; A471-W476 PolarHBondContact O-NE1 3.42Å; Q474-W476 HydrophobicContact CB-CZ2 4Å; Q474-W476 VanDerWaalsContact O-CD1 3.25Å; Q474-W476 PolarHBondContact O-NE1 3.02Å; W476-F481 HydrophobicContact CB-CB 3.99Å; W476-F481 AromaticContact CD2-CD2 3.97Å; W476-F481 HydrophobicContact CD2-CD2 3.97Å; W476-F481 HydrophobicContact CE3-CD2 4.48Å; W476-F481 HydrophobicContact CG-CB 4.29Å; W476-F481 AromaticContact CG-CD2 3.99Å; W476-F481 HydrophobicContact CG-CD2 3.99Å
477	H	90.9	Very high	90	Very high	30 Å²	30	56.3 Å²	56.3	14%	0.139	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	150.7	159.3	-57.6	90.7	0	0	0	109.4	C457 C460 A462 K463 I464 Y479 C480 F481	C457-H477 WeakPolarHBondContact CB-CE1 3.42Å; C457-H477 WeakPolarHBondContact CB-ND1 3.38Å; C460-H477 PolarHBondContact SG-CE1 3.14Å; C460-H477 PolarHBondContact SG-ND1 3.29Å; C460-H477 VanDerWaalsContact SG-ND1 3.43Å; A462-H477 WeakPolarHBondContact CB-CE1 3.45Å; A462-H477 PolarHBondContact O-CE1 2.8Å; K463-H477 PolarHBondContact O-CE1 3.34Å; K463-H477 PolarHBondContact O-NE2 2.81Å; I464-H477 WeakPolarHBondContact CA-NE2 3.47Å; H477-Y479 PolarHBondContact O-N 2.99Å; H477-C480 HydrophobicContact CB-CB 4.05Å; H477-C480 WeakPolarHBondContact O-CB 3.17Å; H477-C480 PolarHBondContact O-N 3.4Å; H477-F481 PolarHBondContact O-N 2.92Å; H477-F481 VanDerWaalsContact O-N 3.14Å
478	I	88.9	Confident	90.3	Very high	19 Å²	19	56.4 Å²	56.4	10%	0.097	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-41	174.2	-68.1	176.1	0	0	0	111.8	E467 I469 C480 P489 R491	E467-I478 HydrophobicContact CB-CD1 3.63Å; E467-I478 HydrophobicContact CB-CG1 4.45Å; E467-I478 HydrophobicContact CG-CD1 4.46Å; E467-I478 WeakPolarHBondContact OE2-CD1 3.36Å; I469-I478 HydrophobicContact CD1-CB 4.35Å; I469-I478 HydrophobicContact CD1-CG1 4.01Å; I469-I478 HydrophobicContact CG1-CG1 3.96Å; I478-C480 VanDerWaalsContact C-N 3.28Å; I478-C480 PolarHBondContact O-N 3.18Å; I478-P489 VanDerWaalsContact O-CB 3.25Å; I478-P489 WeakPolarHBondContact O-CB 3.4Å; I478-R491 HydrophobicContact CG2-CG 3.85Å
479	Y	89.4	Confident	90.4	Very high	75 Å²	75	55.2 Å²	55.2	29%	0.294	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-7	179	-54.4	-88.6	0	0	0	113.9	H374 D377 H477 M482 R491	H374-Y479 AromaticContact CE1-CE1 3.75Å; H374-Y479 AromaticContact CE1-CE2 3.74Å; H374-Y479 AromaticContact CE1-CZ 3.33Å; H374-Y479 PolarHBondContact CE1-OH 3.28Å; H374-Y479 AromaticContact ND1-CD2 3.87Å; H374-Y479 AromaticContact ND1-CE2 3.38Å; H374-Y479 WeakPolarHBondContact ND1-CE2 3.23Å; H374-Y479 AromaticContact ND1-CZ 3.51Å; D377-Y479 WeakPolarHBondContact OD1-CE2 3.3Å; D377-Y479 WeakPolarHBondContact OD2-CD2 3.43Å; H477-Y479 PolarHBondContact O-N 2.99Å; Y479-M482 VanDerWaalsContact O-CG 3.3Å; Y479-M482 WeakPolarHBondContact O-CG 3.18Å; Y479-R491 PolarHBondContact OH-NH2 3.08Å
480	C	90.8	Very high	90.5	Very high	20 Å²	20	54.2 Å²	54.2	14%	0.135	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-32.5	175.3	-80.8	0	0	0	0	112.8	C457 R459 H477 I478 M482	C457-C480 WeakPolarHBondContact SG-CB 3.45Å; C457-C480 VanDerWaalsContact SG-SG 3.68Å; R459-C480 HydrophobicContact CB-CB 3.88Å; R459-C480 WeakPolarHBondContact CD-O 3.24Å; R459-C480 PolarHBondContact NH1-O 3.45Å; H477-C480 HydrophobicContact CB-CB 4.05Å; H477-C480 WeakPolarHBondContact O-CB 3.17Å; H477-C480 PolarHBondContact O-N 3.4Å; I478-C480 VanDerWaalsContact C-N 3.28Å; I478-C480 PolarHBondContact O-N 3.18Å; C480-M482 VanDerWaalsContact C-N 3.34Å; C480-M482 PolarHBondContact O-N 3.5Å
481	F	92.2	Very high	90	Very high	5 Å²	5	54.9 Å²	54.9	2%	0.022	27%	0.271	C	S	.	.	S	Bend	trans	-79.3	82.7	175.8	-165	-109.7	0	0	0	110	I469 A471 W476 H477 P489 I490 F495 P502	I469-F481 HydrophobicContact CD1-CB 4.01Å; I469-F481 HydrophobicContact CD1-CD1 4.21Å; I469-F481 HydrophobicContact CD1-CG 4.47Å; I469-F481 HydrophobicContact CG2-CB 4.25Å; I469-F481 HydrophobicContact CG2-CD1 3.96Å; I469-F481 HydrophobicContact CG2-CE1 4.48Å; I469-F481 HydrophobicContact CG2-CG 4Å; A471-F481 HydrophobicContact CB-CD2 4.18Å; A471-F481 HydrophobicContact CB-CE1 4.25Å; A471-F481 HydrophobicContact CB-CE2 3.56Å; A471-F481 HydrophobicContact CB-CZ 3.61Å; W476-F481 HydrophobicContact CB-CB 3.99Å; W476-F481 AromaticContact CD2-CD2 3.97Å; W476-F481 HydrophobicContact CD2-CD2 3.97Å; W476-F481 HydrophobicContact CE3-CD2 4.48Å; W476-F481 HydrophobicContact CG-CB 4.29Å; W476-F481 AromaticContact CG-CD2 3.99Å; W476-F481 HydrophobicContact CG-CD2 3.99Å; H477-F481 PolarHBondContact O-N 2.92Å; H477-F481 VanDerWaalsContact O-N 3.14Å; F481-P489 WeakPolarHBondContact O-CA 3.35Å; F481-I490 HydrophobicContact CD1-CB 3.97Å; F481-I490 HydrophobicContact CE1-CB 4.15Å; F481-I490 HydrophobicContact CE1-CD1 4.29Å; F481-I490 HydrophobicContact CE1-CG2 4.47Å; F481-I490 PolarHBondContact O-N 2.9Å; F481-F495 HydrophobicContact CE1-CD1 4.17Å; F481-F495 HydrophobicContact CE1-CD2 4.35Å; F481-F495 HydrophobicContact CE1-CE1 4.4Å; F481-F495 HydrophobicContact CE1-CG 4.15Å; F481-F495 HydrophobicContact CZ-CD1 4.35Å; F481-F495 AromaticContact CZ-CD2 3.97Å; F481-F495 HydrophobicContact CZ-CD2 3.97Å; F481-F495 HydrophobicContact CZ-CE1 4.26Å; F481-F495 AromaticContact CZ-CE2 3.88Å; F481-F495 HydrophobicContact CZ-CE2 3.88Å; F481-F495 HydrophobicContact CZ-CG 4.22Å; F481-F495 HydrophobicContact CZ-CZ 4.03Å; F481-P502 HydrophobicContact CE1-CB 4.36Å; F481-P502 HydrophobicContact CE2-CB 3.9Å; F481-P502 HydrophobicContact CE2-CG 3.96Å; F481-P502 HydrophobicContact CZ-CB 3.65Å; F481-P502 HydrophobicContact CZ-CG 4.21Å
482	M	92.4	Very high	89.2	Confident	46 Å²	46	59.7 Å²	59.7	23%	0.227	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-115.2	147.2	-175.6	-47.9	-167.9	-71.6	0	0	111.7	Y479 C480 Q488 P489	Y479-M482 VanDerWaalsContact O-CG 3.3Å; Y479-M482 WeakPolarHBondContact O-CG 3.18Å; C480-M482 VanDerWaalsContact C-N 3.34Å; C480-M482 PolarHBondContact O-N 3.5Å; M482-Q488 CarbonylContact C-O 3.4Å; M482-Q488 VanDerWaalsContact CA-O 3.22Å; M482-Q488 WeakPolarHBondContact CA-O 3.4Å; M482-Q488 WeakPolarHBondContact CB-O 3.09Å; M482-P489 HydrophobicContact CG-CB 4.32Å
483	C	92.2	Very high	88.3	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.323	C	S	.	.			trans	-58.6	135.7	177.3	-179	0	0	0	0	111.9	A485 Q487 Q488 I490 P502 C504 D507	C483-A485 VanDerWaalsContact C-N 3.26Å; C483-A485 PolarHBondContact O-N 2.88Å; C483-A485 PolarHBondContact SG-N 3.24Å; C483-A485 VanDerWaalsContact SG-N 3.43Å; C483-Q487 WeakPolarHBondContact O-CA 3.24Å; C483-Q487 PolarHBondContact O-N 2.98Å; C483-Q487 PolarHBondContact O-NE2 3.5Å; C483-Q488 PolarHBondContact N-O 3.48Å; C483-I490 HydrophobicContact CB-CD1 4.06Å; C483-I490 HydrophobicContact CB-CG1 4.14Å; C483-P502 WeakPolarHBondContact CA-O 3.38Å; C483-C504 HydrophobicContact CB-CB 4.19Å; C483-C504 PolarHBondContact SG-N 3.33Å; C483-D507 PolarHBondContact SG-OD2 3.48Å
484	A	91.6	Very high	88.1	Confident	25 Å²	25	57.9 Å²	57.9	21%	0.207	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-38.7	175.6	0	0	0	0	0	113.1	Q487 E501 P502 Y503	A484-Q487 PolarHBondContact O-NE2 2.98Å; A484-E501 HydrophobicContact CB-CB 4.04Å; A484-E501 WeakPolarHBondContact CB-OE2 3.46Å; A484-P502 PolarHBondContact N-O 3.23Å; A484-Y503 HydrophobicContact CB-CD1 4.4Å; A484-Y503 HydrophobicContact CB-CE1 3.85Å; A484-Y503 HydrophobicContact CB-CE2 4.27Å
485	A	89.3	Confident	88	Confident	45 Å²	45	57 Å²	57	37%	0.372	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-75.9	-179.5	0	0	0	0	0	113.4	C483 Q487 Y503 D507 L511	C483-A485 VanDerWaalsContact C-N 3.26Å; C483-A485 PolarHBondContact O-N 2.88Å; C483-A485 PolarHBondContact SG-N 3.24Å; C483-A485 VanDerWaalsContact SG-N 3.43Å; A485-Q487 VanDerWaalsContact C-N 3.26Å; A485-Q487 PolarHBondContact O-N 2.95Å; A485-Y503 HydrophobicContact CB-CD1 4.25Å; A485-Y503 HydrophobicContact CB-CE1 4.2Å; A485-D507 HydrophobicContact CB-CB 3.91Å; A485-D507 WeakPolarHBondContact CB-OD2 3.47Å; A485-L511 HydrophobicContact CB-CD1 3.62Å
486	C	91.8	Very high	87.8	Confident	47 Å²	47	57.4 Å²	57.4	32%	0.318	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-6.6	-176.1	67.7	0	0	0	0	115.6	Q488 D507	C486-Q488 HydrophobicContact CB-CG 4.13Å; C486-Q488 PolarHBondContact O-N 2.86Å; C486-Q488 PolarHBondContact O-NE2 3.29Å; C486-D507 WeakPolarHBondContact CB-OD2 3.31Å; C486-D507 PolarHBondContact N-OD2 3.44Å; C486-D507 PolarHBondContact SG-OD2 3.1Å
487	Q	90.6	Very high	87.7	Confident	83 Å²	83	59.9 Å²	59.9	39%	0.388	31%	0.31	S	S	.	.			trans	49.8	27.8	-174.1	-62.4	-69.5	-39	0	0	113.9	C483 A484 A485	C483-Q487 WeakPolarHBondContact O-CA 3.24Å; C483-Q487 PolarHBondContact O-N 2.98Å; C483-Q487 PolarHBondContact O-NE2 3.5Å; A484-Q487 PolarHBondContact O-NE2 2.98Å; A485-Q487 VanDerWaalsContact C-N 3.26Å; A485-Q487 PolarHBondContact O-N 2.95Å
488	Q	89.4	Confident	87.6	Confident	121 Å²	121	62 Å²	62	57%	0.565	32%	0.32	S	S	*	.			trans	-89.5	145.1	170.9	-58.7	-50.2	-68.8	0	0	110.8	M482 C483 C486 I490	M482-Q488 CarbonylContact C-O 3.4Å; M482-Q488 VanDerWaalsContact CA-O 3.22Å; M482-Q488 WeakPolarHBondContact CA-O 3.4Å; M482-Q488 WeakPolarHBondContact CB-O 3.09Å; C483-Q488 PolarHBondContact N-O 3.48Å; C486-Q488 HydrophobicContact CB-CG 4.13Å; C486-Q488 PolarHBondContact O-N 2.86Å; C486-Q488 PolarHBondContact O-NE2 3.29Å; Q488-I490 PolarHBondContact O-N 2.73Å
489	P	90.3	Very high	87.4	Confident	38 Å²	38	69.2 Å²	69.2	25%	0.247	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-65.5	125.2	176.8	27.2	-34.5	0	0	0	111.5	I478 F481 M482 R491	I478-P489 VanDerWaalsContact O-CB 3.25Å; I478-P489 WeakPolarHBondContact O-CB 3.4Å; F481-P489 WeakPolarHBondContact O-CA 3.35Å; M482-P489 HydrophobicContact CG-CB 4.32Å; P489-R491 PolarHBondContact O-N 3.37Å
490	I	89.8	Confident	87.2	Confident	10 Å²	10	68 Å²	68	5%	0.051	37%	0.368	C	S	.	.			trans	-83.6	96.3	-179.2	-52.8	176.4	0	0	0	108.3	F481 C483 Q488 F495 P502 C504	F481-I490 HydrophobicContact CD1-CB 3.97Å; F481-I490 HydrophobicContact CE1-CB 4.15Å; F481-I490 HydrophobicContact CE1-CD1 4.29Å; F481-I490 HydrophobicContact CE1-CG2 4.47Å; F481-I490 PolarHBondContact O-N 2.9Å; C483-I490 HydrophobicContact CB-CD1 4.06Å; C483-I490 HydrophobicContact CB-CG1 4.14Å; Q488-I490 PolarHBondContact O-N 2.73Å; I490-F495 HydrophobicContact CD1-CB 4.36Å; I490-F495 HydrophobicContact CG2-CB 3.88Å; I490-P502 HydrophobicContact CD1-CB 4.13Å; I490-C504 HydrophobicContact CD1-CB 4.4Å; I490-C504 HydrophobicContact CG1-CB 4.24Å
491	R	81	Confident	87.1	Confident	138 Å²	138	72.2 Å²	72.2	52%	0.521	39%	0.386	S	S	.	.			trans	-86.9	-21.3	177	-64.3	-175.5	-179.6	-118.6	-3.9	113.8	I478 Y479 P489	I478-R491 HydrophobicContact CG2-CG 3.85Å; Y479-R491 PolarHBondContact OH-NH2 3.08Å; P489-R491 PolarHBondContact O-N 3.37Å
492	N	71.9	Confident	87.1	Confident	108 Å²	108	73 Å²	73	58%	0.578	39%	0.392	S	S	*	.	S	Bend	trans	-74.9	143.5	-177.1	-65	12.2	0	0	0	110.1	T494	N492-T494 PolarHBondContact O-N 3.03Å
493	N	68.8	Low	87	Confident	170 Å²	170	72.4 Å²	72.4	91%	0.909	39%	0.387	S	S	*	.	S	Bend	trans	-64.3	-17	173.4	-61.5	85.3	0	0	0	113.1
494	T	82.3	Confident	86.9	Confident	77 Å²	77	73.7 Å²	73.7	47%	0.472	40%	0.396	S	S	.	.			trans	-90.1	118.7	170.6	47	0	0	0	0	111	N492 E505	N492-T494 PolarHBondContact O-N 3.03Å; T494-E505 PolarHBondContact OG1-OE2 2.93Å
495	F	89.5	Confident	86.7	Confident	71 Å²	71	76.6 Å²	76.6	31%	0.311	41%	0.405	S	S	.	.			trans	-145.4	155.1	169.1	75.3	-90.6	0	0	0	109.6	A471 L472 F481 I490 P502	A471-F495 HydrophobicContact CB-CE1 4.38Å; A471-F495 HydrophobicContact CB-CZ 4.14Å; L472-F495 HydrophobicContact CD2-CE2 4.34Å; F481-F495 HydrophobicContact CE1-CD1 4.17Å; F481-F495 HydrophobicContact CE1-CD2 4.35Å; F481-F495 HydrophobicContact CE1-CE1 4.4Å; F481-F495 HydrophobicContact CE1-CG 4.15Å; F481-F495 HydrophobicContact CZ-CD1 4.35Å; F481-F495 AromaticContact CZ-CD2 3.97Å; F481-F495 HydrophobicContact CZ-CD2 3.97Å; F481-F495 HydrophobicContact CZ-CE1 4.26Å; F481-F495 AromaticContact CZ-CE2 3.88Å; F481-F495 HydrophobicContact CZ-CE2 3.88Å; F481-F495 HydrophobicContact CZ-CG 4.22Å; F481-F495 HydrophobicContact CZ-CZ 4.03Å; I490-F495 HydrophobicContact CD1-CB 4.36Å; I490-F495 HydrophobicContact CG2-CB 3.88Å; F495-P502 HydrophobicContact CD2-CB 4.3Å
496	H	88.2	Confident	86.6	Confident	43 Å²	43	80.7 Å²	80.7	20%	0.199	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	158.3	178.6	-63.1	-103.1	0	0	0	110.1	P502 Y503 F508 Y509	H496-P502 WeakPolarHBondContact O-CA 3.38Å; H496-Y503 PolarHBondContact N-O 3.2Å; H496-Y503 PolarHBondContact O-N 2.84Å; H496-F508 HydrophobicContact CB-CB 3.9Å; H496-F508 HydrophobicContact CB-CD1 3.94Å; H496-F508 HydrophobicContact CB-CD2 3.33Å; H496-F508 HydrophobicContact CB-CE1 4.33Å; H496-F508 HydrophobicContact CB-CE2 3.78Å; H496-F508 HydrophobicContact CB-CG 3.42Å; H496-F508 VanDerWaalsContact CB-CG 3.42Å; H496-F508 HydrophobicContact CB-CZ 4.26Å; H496-F508 AromaticContact CD2-CD1 3.91Å; H496-F508 AromaticContact CD2-CG 3.96Å; H496-F508 AromaticContact CE1-CD1 3.67Å; H496-F508 AromaticContact CE1-CE1 3.83Å; H496-F508 AromaticContact CG-CD1 3.45Å; H496-F508 VanDerWaalsContact CG-CD1 3.45Å; H496-F508 AromaticContact CG-CD2 3.85Å; H496-F508 AromaticContact CG-CE1 3.88Å; H496-F508 AromaticContact CG-CG 3.43Å; H496-F508 VanDerWaalsContact CG-CG 3.43Å; H496-F508 AromaticContact ND1-CD1 3.28Å; H496-F508 VanDerWaalsContact ND1-CD1 3.28Å; H496-F508 WeakPolarHBondContact ND1-CD1 3.48Å; H496-F508 AromaticContact ND1-CE1 3.29Å; H496-F508 VanDerWaalsContact ND1-CE1 3.29Å; H496-F508 WeakPolarHBondContact ND1-CE1 3.44Å; H496-F508 AromaticContact ND1-CG 3.77Å; H496-F508 AromaticContact ND1-CZ 3.79Å; H496-Y509 AromaticContact CE1-CZ 4Å
497	L	90.4	Very high	86.4	Confident	86 Å²	86	79.9 Å²	79.9	45%	0.45	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	107.6	-175.2	-176	69.3	0	0	0	109	L472 G500	L472-L497 HydrophobicContact CD1-CD1 3.99Å; L472-L497 HydrophobicContact CD2-CD1 3.64Å; L472-L497 HydrophobicContact CD2-CD2 3.58Å; L472-L497 HydrophobicContact CD2-CG 4.22Å; L472-L497 HydrophobicContact CG-CD1 4.48Å; L497-G500 VanDerWaalsContact CD1-C 3.41Å; L497-G500 WeakPolarHBondContact CD1-O 3.46Å
498	E	88.3	Confident	86.3	Confident	76 Å²	76	77.6 Å²	77.6	36%	0.355	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	133.4	179.7	-158.9	62.5	-124	0	0	108.5	G500 E501 Y503 F512	E498-G500 PolarHBondContact O-N 2.86Å; E498-E501 PolarHBondContact N-O 3.14Å; E498-E501 PolarHBondContact O-N 3.4Å; E498-Y503 HydrophobicContact CB-CD2 4.01Å; E498-Y503 HydrophobicContact CB-CE2 3.85Å; E498-F512 HydrophobicContact CB-CE2 4.11Å; E498-F512 HydrophobicContact CB-CZ 4.06Å; E498-F512 HydrophobicContact CG-CD1 4.28Å; E498-F512 HydrophobicContact CG-CE1 3.93Å; E498-F512 HydrophobicContact CG-CE2 4.25Å; E498-F512 HydrophobicContact CG-CZ 3.91Å
499	D	85.3	Confident	86	Confident	170 Å²	170	76.4 Å²	76.4	91%	0.909	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	11	-170.5	-77.9	-40.1	0	0	0	116.6
500	G	84.6	Confident	85.6	Confident	48 Å²	48	78.5 Å²	78.5	50%	0.495	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.8	-1	-176.5	0	0	0	0	0	115	L497 E498	L497-G500 VanDerWaalsContact CD1-C 3.41Å; L497-G500 WeakPolarHBondContact CD1-O 3.46Å; E498-G500 PolarHBondContact O-N 2.86Å
501	E	89.2	Confident	85.2	Confident	110 Å²	110	83 Å²	83	51%	0.514	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	141	173.6	-61.2	-157.7	137.1	0	0	112	A484 E498 Y503	A484-E501 HydrophobicContact CB-CB 4.04Å; A484-E501 WeakPolarHBondContact CB-OE2 3.46Å; E498-E501 PolarHBondContact N-O 3.14Å; E498-E501 PolarHBondContact O-N 3.4Å; E501-Y503 HydrophobicContact CB-CE2 4.04Å; E501-Y503 VanDerWaalsContact O-CD2 3.23Å; E501-Y503 WeakPolarHBondContact O-CD2 3.46Å; E501-Y503 WeakPolarHBondContact O-CE2 3.2Å
502	P	91.4	Very high	85.2	Confident	22 Å²	22	80.8 Å²	80.8	14%	0.143	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	132.1	-179.6	32.2	-34.1	0	0	0	111.7	F481 C483 A484 I490 F495 H496	F481-P502 HydrophobicContact CE1-CB 4.36Å; F481-P502 HydrophobicContact CE2-CB 3.9Å; F481-P502 HydrophobicContact CE2-CG 3.96Å; F481-P502 HydrophobicContact CZ-CB 3.65Å; F481-P502 HydrophobicContact CZ-CG 4.21Å; C483-P502 WeakPolarHBondContact CA-O 3.38Å; A484-P502 PolarHBondContact N-O 3.23Å; I490-P502 HydrophobicContact CD1-CB 4.13Å; F495-P502 HydrophobicContact CD2-CB 4.3Å; H496-P502 WeakPolarHBondContact O-CA 3.38Å
503	Y	90.7	Very high	85.5	Confident	33 Å²	33	77 Å²	77	13%	0.129	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	141.7	174	-67.7	-95	0	0	0	110.8	A484 A485 H496 E498 E501 L511 F512	A484-Y503 HydrophobicContact CB-CD1 4.4Å; A484-Y503 HydrophobicContact CB-CE1 3.85Å; A484-Y503 HydrophobicContact CB-CE2 4.27Å; A485-Y503 HydrophobicContact CB-CD1 4.25Å; A485-Y503 HydrophobicContact CB-CE1 4.2Å; H496-Y503 PolarHBondContact N-O 3.2Å; H496-Y503 PolarHBondContact O-N 2.84Å; E498-Y503 HydrophobicContact CB-CD2 4.01Å; E498-Y503 HydrophobicContact CB-CE2 3.85Å; E501-Y503 HydrophobicContact CB-CE2 4.04Å; E501-Y503 VanDerWaalsContact O-CD2 3.23Å; E501-Y503 WeakPolarHBondContact O-CD2 3.46Å; E501-Y503 WeakPolarHBondContact O-CE2 3.2Å; Y503-L511 HydrophobicContact CD1-CD1 4.48Å; Y503-L511 HydrophobicContact CE1-CD1 4.25Å; Y503-F512 AromaticContact CD1-CE2 3.9Å; Y503-F512 HydrophobicContact CD1-CE2 3.9Å; Y503-F512 HydrophobicContact CD2-CE2 4.15Å; Y503-F512 AromaticContact CE1-CE2 3.84Å; Y503-F512 HydrophobicContact CE1-CE2 3.84Å; Y503-F512 AromaticContact CE1-CZ 3.99Å; Y503-F512 HydrophobicContact CE1-CZ 3.99Å; Y503-F512 HydrophobicContact CE2-CE2 4.12Å; Y503-F512 HydrophobicContact CE2-CZ 4.16Å; Y503-F512 HydrophobicContact CG-CE2 4.06Å; Y503-F512 AromaticContact CZ-CE2 3.97Å; Y503-F512 AromaticContact CZ-CZ 3.81Å
504	C	90.7	Very high	86.1	Confident	26 Å²	26	72 Å²	72	18%	0.176	39%	0.385	C	S	.	.			trans	-73.5	155.1	167.7	74.5	0	0	0	0	109.9	C483 I490 Q506 D507 F508	C483-C504 HydrophobicContact CB-CB 4.19Å; C483-C504 PolarHBondContact SG-N 3.33Å; I490-C504 HydrophobicContact CD1-CB 4.4Å; I490-C504 HydrophobicContact CG1-CB 4.24Å; C504-Q506 VanDerWaalsContact C-N 3.29Å; C504-Q506 PolarHBondContact O-N 3.14Å; C504-D507 PolarHBondContact O-N 3.46Å; C504-D507 PolarHBondContact SG-N 3.31Å; C504-D507 PolarHBondContact SG-OD2 3.34Å; C504-D507 VanDerWaalsContact SG-OD2 3.4Å; C504-F508 WeakPolarHBondContact O-CB 3.32Å; C504-F508 PolarHBondContact O-N 3.31Å
505	E	87.4	Confident	86.3	Confident	86 Å²	86	70.3 Å²	70.3	40%	0.402	38%	0.382	S	S	.	.	H	α-helix	trans	-49.6	-46.7	-178.9	-163.8	176.9	138.7	0	0	112.8	T494 F508 Y509	T494-E505 PolarHBondContact OG1-OE2 2.93Å; E505-F508 PolarHBondContact O-N 3.4Å; E505-Y509 HydrophobicContact CG-CD2 4.06Å; E505-Y509 HydrophobicContact CG-CE2 3.82Å; E505-Y509 WeakPolarHBondContact O-CD2 3.31Å; E505-Y509 PolarHBondContact O-N 2.71Å; E505-Y509 VanDerWaalsContact O-N 3.11Å
506	Q	86.1	Confident	86.3	Confident	131 Å²	131	67 Å²	67	61%	0.612	37%	0.368	S	S	*	.	H	α-helix	trans	-65.4	-44.6	-178.8	-177.7	60.4	63.6	0	0	113.3	C504 S510	C504-Q506 VanDerWaalsContact C-N 3.29Å; C504-Q506 PolarHBondContact O-N 3.14Å; Q506-S510 WeakPolarHBondContact O-CB 3.38Å; Q506-S510 PolarHBondContact O-N 3.24Å; Q506-S510 VanDerWaalsContact O-N 3.12Å
507	D	87.9	Confident	86.3	Confident	30 Å²	30	69.1 Å²	69.1	16%	0.16	38%	0.378	C	S	.	.	H	α-helix	trans	-73.1	-37.6	179.2	-68.7	-14.7	0	0	0	110.8	C483 A485 C486 C504 S510 L511	C483-D507 PolarHBondContact SG-OD2 3.48Å; A485-D507 HydrophobicContact CB-CB 3.91Å; A485-D507 WeakPolarHBondContact CB-OD2 3.47Å; C486-D507 WeakPolarHBondContact CB-OD2 3.31Å; C486-D507 PolarHBondContact N-OD2 3.44Å; C486-D507 PolarHBondContact SG-OD2 3.1Å; C504-D507 PolarHBondContact O-N 3.46Å; C504-D507 PolarHBondContact SG-N 3.31Å; C504-D507 PolarHBondContact SG-OD2 3.34Å; C504-D507 VanDerWaalsContact SG-OD2 3.4Å; D507-S510 CarbonylContact O-C 3.6Å; D507-S510 PolarHBondContact O-N 3.05Å; D507-S510 VanDerWaalsContact O-N 3.16Å; D507-L511 HydrophobicContact CB-CD1 4.44Å; D507-L511 WeakPolarHBondContact O-CB 3.23Å; D507-L511 VanDerWaalsContact O-CG 3.32Å; D507-L511 WeakPolarHBondContact O-CG 3.42Å; D507-L511 PolarHBondContact O-N 2.87Å
508	F	88.8	Confident	86.1	Confident	35 Å²	35	67 Å²	67	15%	0.154	38%	0.376	C	S	.	.	H	α-helix	trans	-59.1	-52.5	178.1	-179.3	-98.3	0	0	0	111.2	H496 C504 E505 S510 L511 F512	H496-F508 HydrophobicContact CB-CB 3.9Å; H496-F508 HydrophobicContact CB-CD1 3.94Å; H496-F508 HydrophobicContact CB-CD2 3.33Å; H496-F508 HydrophobicContact CB-CE1 4.33Å; H496-F508 HydrophobicContact CB-CE2 3.78Å; H496-F508 HydrophobicContact CB-CG 3.42Å; H496-F508 VanDerWaalsContact CB-CG 3.42Å; H496-F508 HydrophobicContact CB-CZ 4.26Å; H496-F508 AromaticContact CD2-CD1 3.91Å; H496-F508 AromaticContact CD2-CG 3.96Å; H496-F508 AromaticContact CE1-CD1 3.67Å; H496-F508 AromaticContact CE1-CE1 3.83Å; H496-F508 AromaticContact CG-CD1 3.45Å; H496-F508 VanDerWaalsContact CG-CD1 3.45Å; H496-F508 AromaticContact CG-CD2 3.85Å; H496-F508 AromaticContact CG-CE1 3.88Å; H496-F508 AromaticContact CG-CG 3.43Å; H496-F508 VanDerWaalsContact CG-CG 3.43Å; H496-F508 AromaticContact ND1-CD1 3.28Å; H496-F508 VanDerWaalsContact ND1-CD1 3.28Å; H496-F508 WeakPolarHBondContact ND1-CD1 3.48Å; H496-F508 AromaticContact ND1-CE1 3.29Å; H496-F508 VanDerWaalsContact ND1-CE1 3.29Å; H496-F508 WeakPolarHBondContact ND1-CE1 3.44Å; H496-F508 AromaticContact ND1-CG 3.77Å; H496-F508 AromaticContact ND1-CZ 3.79Å; C504-F508 WeakPolarHBondContact O-CB 3.32Å; C504-F508 PolarHBondContact O-N 3.31Å; E505-F508 PolarHBondContact O-N 3.4Å; F508-S510 VanDerWaalsContact C-N 3.26Å; F508-S510 PolarHBondContact O-N 2.94Å; F508-L511 PolarHBondContact O-N 3.02Å; F508-F512 AromaticContact CD2-CD2 3.45Å; F508-F512 HydrophobicContact CD2-CD2 3.45Å; F508-F512 VanDerWaalsContact CD2-CD2 3.45Å; F508-F512 HydrophobicContact CD2-CE2 4.03Å; F508-F512 HydrophobicContact CD2-CG 4.37Å; F508-F512 HydrophobicContact CE2-CB 4.35Å; F508-F512 AromaticContact CE2-CD2 3.81Å; F508-F512 HydrophobicContact CE2-CD2 3.81Å; F508-F512 HydrophobicContact CE2-CG 4.34Å; F508-F512 HydrophobicContact CG-CD2 4.17Å; F508-F512 WeakPolarHBondContact O-CD2 3.48Å; F508-F512 PolarHBondContact O-N 3.31Å
509	Y	82.8	Confident	86.1	Confident	96 Å²	96	65.3 Å²	65.3	38%	0.376	37%	0.373	S	S	.	.	H	α-helix	trans	-69.7	-20.7	176.3	-68.8	-59.8	0	0	0	113.7	H496 E505 G513	H496-Y509 AromaticContact CE1-CZ 4Å; E505-Y509 HydrophobicContact CG-CD2 4.06Å; E505-Y509 HydrophobicContact CG-CE2 3.82Å; E505-Y509 WeakPolarHBondContact O-CD2 3.31Å; E505-Y509 PolarHBondContact O-N 2.71Å; E505-Y509 VanDerWaalsContact O-N 3.11Å; Y509-G513 WeakPolarHBondContact O-CA 3.48Å; Y509-G513 PolarHBondContact O-N 3.32Å
510	S	82.7	Confident	86.1	Confident	83 Å²	83	65.8 Å²	65.8	58%	0.58	37%	0.369	S	S	*	.	H	α-helix	trans	-84.9	-21.3	175.9	-169.7	0	0	0	0	114.4	Q506 D507 F508	Q506-S510 WeakPolarHBondContact O-CB 3.38Å; Q506-S510 PolarHBondContact O-N 3.24Å; Q506-S510 VanDerWaalsContact O-N 3.12Å; D507-S510 CarbonylContact O-C 3.6Å; D507-S510 PolarHBondContact O-N 3.05Å; D507-S510 VanDerWaalsContact O-N 3.16Å; F508-S510 VanDerWaalsContact C-N 3.26Å; F508-S510 PolarHBondContact O-N 2.94Å
511	L	81.9	Confident	86	Confident	104 Å²	104	66.5 Å²	66.5	55%	0.545	36%	0.359	S	S	.	.	H	α-helix	trans	-107.5	-36.3	-177.2	-66.7	173.1	0	0	0	112.8	A485 Y503 D507 F508	A485-L511 HydrophobicContact CB-CD1 3.62Å; Y503-L511 HydrophobicContact CD1-CD1 4.48Å; Y503-L511 HydrophobicContact CE1-CD1 4.25Å; D507-L511 HydrophobicContact CB-CD1 4.44Å; D507-L511 WeakPolarHBondContact O-CB 3.23Å; D507-L511 VanDerWaalsContact O-CG 3.32Å; D507-L511 WeakPolarHBondContact O-CG 3.42Å; D507-L511 PolarHBondContact O-N 2.87Å; F508-L511 PolarHBondContact O-N 3.02Å
512	F	81.1	Confident	85.8	Confident	91 Å²	91	63.4 Å²	63.4	40%	0.399	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-8.6	-176.4	-48.2	-72.1	0	0	0	113.1	E498 Y503 F508	E498-F512 HydrophobicContact CB-CE2 4.11Å; E498-F512 HydrophobicContact CB-CZ 4.06Å; E498-F512 HydrophobicContact CG-CD1 4.28Å; E498-F512 HydrophobicContact CG-CE1 3.93Å; E498-F512 HydrophobicContact CG-CE2 4.25Å; E498-F512 HydrophobicContact CG-CZ 3.91Å; Y503-F512 AromaticContact CD1-CE2 3.9Å; Y503-F512 HydrophobicContact CD1-CE2 3.9Å; Y503-F512 HydrophobicContact CD2-CE2 4.15Å; Y503-F512 AromaticContact CE1-CE2 3.84Å; Y503-F512 HydrophobicContact CE1-CE2 3.84Å; Y503-F512 AromaticContact CE1-CZ 3.99Å; Y503-F512 HydrophobicContact CE1-CZ 3.99Å; Y503-F512 HydrophobicContact CE2-CE2 4.12Å; Y503-F512 HydrophobicContact CE2-CZ 4.16Å; Y503-F512 HydrophobicContact CG-CE2 4.06Å; Y503-F512 AromaticContact CZ-CE2 3.97Å; Y503-F512 AromaticContact CZ-CZ 3.81Å; F508-F512 AromaticContact CD2-CD2 3.45Å; F508-F512 HydrophobicContact CD2-CD2 3.45Å; F508-F512 VanDerWaalsContact CD2-CD2 3.45Å; F508-F512 HydrophobicContact CD2-CE2 4.03Å; F508-F512 HydrophobicContact CD2-CG 4.37Å; F508-F512 HydrophobicContact CE2-CB 4.35Å; F508-F512 AromaticContact CE2-CD2 3.81Å; F508-F512 HydrophobicContact CE2-CD2 3.81Å; F508-F512 HydrophobicContact CE2-CG 4.34Å; F508-F512 HydrophobicContact CG-CD2 4.17Å; F508-F512 WeakPolarHBondContact O-CD2 3.48Å; F508-F512 PolarHBondContact O-N 3.31Å
513	G	77.2	Confident	85.6	Confident	30 Å²	30	63.1 Å²	63.1	31%	0.309	35%	0.345	S	S	.	.	S	Bend	trans	-73.3	141	178.4	0	0	0	0	0	113.2	Y509 G515	Y509-G513 WeakPolarHBondContact O-CA 3.48Å; Y509-G513 PolarHBondContact O-N 3.32Å; G513-G515 PolarHBondContact O-N 3.39Å; G513-G515 VanDerWaalsContact O-N 3.14Å
514	T	82.3	Confident	85.2	Confident	65 Å²	65	65.7 Å²	65.7	40%	0.399	36%	0.359	S	S	.	.			trans	-71.3	104.3	173.4	40.8	0	0	0	0	110.9	I523	T514-I523 WeakPolarHBondContact O-CB 3.35Å; T514-I523 WeakPolarHBondContact O-CG1 3.29Å; T514-I523 PolarHBondContact O-N 3.48Å
515	G	86.1	Confident	84.4	Confident	40 Å²	40	69.6 Å²	69.6	41%	0.412	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-73.6	141.1	173.5	0	0	0	0	0	113.5	G513	G513-G515 PolarHBondContact O-N 3.39Å; G513-G515 VanDerWaalsContact O-N 3.14Å
516	C	90.4	Very high	84	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.007	41%	0.411	C	S	.	.	B	Isolated β-bridge	trans	-83.5	117.5	172	165.1	0	0	0	0	111.3	G518 C519 E520 F521 I523 N536 H538 C541	C516-G518 PolarHBondContact O-N 3.45Å; C516-G518 VanDerWaalsContact O-N 3.17Å; C516-G518 PolarHBondContact SG-N 2.87Å; C516-C519 PolarHBondContact O-N 3.33Å; C516-C519 PolarHBondContact SG-SG 3.02Å; C516-E520 WeakPolarHBondContact O-CA 3.4Å; C516-E520 PolarHBondContact O-N 3.43Å; C516-F521 PolarHBondContact N-O 3.04Å; C516-I523 HydrophobicContact CB-CD1 4.1Å; C516-I523 HydrophobicContact CB-CG1 3.89Å; C516-N536 CarbonylContact C-O 3.55Å; C516-N536 WeakPolarHBondContact CA-O 3.48Å; C516-H538 WeakPolarHBondContact CB-CE1 3.27Å; C516-H538 WeakPolarHBondContact CB-ND1 3.37Å; C516-H538 PolarHBondContact SG-N 2.92Å; C516-H538 PolarHBondContact SG-ND1 3.32Å; C516-C541 VanDerWaalsContact SG-CB 3.56Å
517	H	87.6	Confident	83.9	Confident	89 Å²	89	66 Å²	66	41%	0.412	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-26.3	-178.4	-168.9	112.5	0	0	0	113.6	C519 Y535 N536 W537	H517-C519 PolarHBondContact O-N 3.04Å; H517-Y535 HydrophobicContact CB-CD1 4.44Å; H517-Y535 HydrophobicContact CB-CG 4.12Å; H517-Y535 AromaticContact CE1-CD2 3.97Å; H517-Y535 AromaticContact CE1-CE1 3.87Å; H517-Y535 AromaticContact CE1-CE2 3.79Å; H517-Y535 AromaticContact CE1-CZ 3.74Å; H517-Y535 AromaticContact CG-CG 3.93Å; H517-Y535 AromaticContact ND1-CD1 3.26Å; H517-Y535 VanDerWaalsContact ND1-CD1 3.26Å; H517-Y535 WeakPolarHBondContact ND1-CD1 3.22Å; H517-Y535 AromaticContact ND1-CD2 3.65Å; H517-Y535 AromaticContact ND1-CE1 3.48Å; H517-Y535 WeakPolarHBondContact ND1-CE1 3.31Å; H517-Y535 AromaticContact ND1-CE2 3.86Å; H517-Y535 AromaticContact ND1-CG 3.35Å; H517-Y535 AromaticContact ND1-CZ 3.78Å; H517-N536 PolarHBondContact N-O 2.91Å; H517-W537 HydrophobicContact CB-CD2 4.3Å; H517-W537 HydrophobicContact CB-CE3 4.46Å; H517-W537 HydrophobicContact CB-CH2 4.14Å; H517-W537 HydrophobicContact CB-CZ2 3.98Å; H517-W537 HydrophobicContact CB-CZ3 4.39Å; H517-W537 AromaticContact CD2-CH2 3.5Å; H517-W537 AromaticContact CD2-CZ2 3.85Å
518	G	86.6	Confident	84	Confident	40 Å²	40	71.3 Å²	71.3	41%	0.412	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-12.9	-179.7	0	0	0	0	0	115.7	C516 W537	C516-G518 PolarHBondContact O-N 3.45Å; C516-G518 VanDerWaalsContact O-N 3.17Å; C516-G518 PolarHBondContact SG-N 2.87Å; G518-W537 VanDerWaalsContact CA-CZ3 3.46Å
519	C	88	Confident	84.1	Confident	41 Å²	41	74.9 Å²	74.9	28%	0.277	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.4	2.4	-177.6	68.5	0	0	0	0	115.3	C516 H517 F521 H538 C541	C516-C519 PolarHBondContact O-N 3.33Å; C516-C519 PolarHBondContact SG-SG 3.02Å; H517-C519 PolarHBondContact O-N 3.04Å; C519-F521 HydrophobicContact CB-CD2 4.13Å; C519-F521 WeakPolarHBondContact O-CD2 2.95Å; C519-F521 PolarHBondContact O-N 3.38Å; C519-H538 VanDerWaalsContact SG-CE1 3.59Å; C519-H538 PolarHBondContact SG-ND1 3.42Å; C519-H538 VanDerWaalsContact SG-ND1 3.37Å; C519-C541 VanDerWaalsContact SG-SG 3.6Å
520	E	84.6	Confident	84.5	Confident	180 Å²	180	72.2 Å²	72.2	84%	0.841	43%	0.428	S	S	*	.	S	Bend	trans	61.2	7	175.8	-59.8	175.1	178.3	0	0	115.6	C516	C516-E520 WeakPolarHBondContact O-CA 3.4Å; C516-E520 PolarHBondContact O-N 3.43Å
521	F	82.5	Confident	84.9	Confident	64 Å²	64	75.3 Å²	75.3	28%	0.281	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-87.4	147.5	172.6	-67.4	-69.3	0	0	0	112.5	C516 C519	C516-F521 PolarHBondContact N-O 3.04Å; C519-F521 HydrophobicContact CB-CD2 4.13Å; C519-F521 WeakPolarHBondContact O-CD2 2.95Å; C519-F521 PolarHBondContact O-N 3.38Å
522	P	84.9	Confident	85.3	Confident	45 Å²	45	70.8 Å²	70.8	29%	0.292	41%	0.411	S	S	.	.	B	Isolated β-bridge	trans	-56	143.3	165.1	-22.9	33.9	0	0	0	111.8
523	I	86.6	Confident	85.6	Confident	15 Å²	15	69 Å²	69	8%	0.077	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-85.2	116.8	169.5	-63	158.9	0	0	0	106.8	T514 C516 D527 F529 N536	T514-I523 WeakPolarHBondContact O-CB 3.35Å; T514-I523 WeakPolarHBondContact O-CG1 3.29Å; T514-I523 PolarHBondContact O-N 3.48Å; C516-I523 HydrophobicContact CB-CD1 4.1Å; C516-I523 HydrophobicContact CB-CG1 3.89Å; I523-D527 HydrophobicContact CG2-CB 3.85Å; I523-F529 HydrophobicContact CD1-CB 3.8Å; I523-F529 HydrophobicContact CD1-CD2 4.24Å; I523-F529 HydrophobicContact CD1-CG 4.1Å; I523-F529 HydrophobicContact CG1-CB 4.32Å; I523-F529 HydrophobicContact CG2-CB 3.81Å; I523-F529 HydrophobicContact CG2-CD1 3.65Å; I523-F529 HydrophobicContact CG2-CE1 4.43Å; I523-F529 HydrophobicContact CG2-CG 3.87Å; I523-N536 HydrophobicContact CD1-CB 3.58Å
524	E	82.2	Confident	86	Confident	87 Å²	87	70.6 Å²	70.6	41%	0.407	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-85.1	159.5	-174.6	-64.7	175.1	-174.8	0	0	110.9	R33 G526 D527	R33-E524 IonicContact NH1-OE1 3.16Å; R33-E524 PolarHBondContact NH1-OE1 3.48Å; R33-E524 VanDerWaalsContact NH1-OE1 3.16Å; E524-G526 PolarHBondContact O-N 3.49Å; E524-D527 PolarHBondContact N-OD2 3.06Å; E524-D527 WeakPolarHBondContact O-CB 3.33Å; E524-D527 PolarHBondContact O-N 2.92Å
525	A	74.6	Confident	86.3	Confident	108 Å²	108	72.5 Å²	72.5	89%	0.893	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	84	-171.9	0	0	0	0	0	112.7
526	G	79.4	Confident	86.6	Confident	77 Å²	77	72.6 Å²	72.6	79%	0.794	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	143.2	-15.6	-173	0	0	0	0	0	113	E524	E524-G526 PolarHBondContact O-N 3.49Å
527	D	84.5	Confident	86.6	Confident	64 Å²	64	73.1 Å²	73.1	34%	0.342	42%	0.415	S	S	.	.			trans	-65.3	142.4	171.1	-78.2	-35.4	0	0	0	111.1	I523 E524 H538	I523-D527 HydrophobicContact CG2-CB 3.85Å; E524-D527 PolarHBondContact N-OD2 3.06Å; E524-D527 WeakPolarHBondContact O-CB 3.33Å; E524-D527 PolarHBondContact O-N 2.92Å; D527-H538 IonicContact OD2-NE2 3.83Å
528	K	88.2	Confident	86.8	Confident	143 Å²	143	69.5 Å²	69.5	62%	0.622	40%	0.399	S	S	*	.			trans	-80	121.1	170.3	-69.4	179.7	-179.8	-178.5	0	109.3	H538 D539	K528-H538 WeakPolarHBondContact O-CA 3.29Å; K528-D539 HydrophobicContact CB-CB 3.98Å; K528-D539 WeakPolarHBondContact CB-OD2 3.42Å; K528-D539 WeakPolarHBondContact CD-OD2 3.43Å; K528-D539 PolarHBondContact O-N 3.21Å
529	F	91.4	Very high	87	Confident	109 Å²	109	69.2 Å²	69.2	48%	0.478	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	162.2	175.4	75.3	-82.5	0	0	0	111.6	I523 N536 W537	I523-F529 HydrophobicContact CD1-CB 3.8Å; I523-F529 HydrophobicContact CD1-CD2 4.24Å; I523-F529 HydrophobicContact CD1-CG 4.1Å; I523-F529 HydrophobicContact CG1-CB 4.32Å; I523-F529 HydrophobicContact CG2-CB 3.81Å; I523-F529 HydrophobicContact CG2-CD1 3.65Å; I523-F529 HydrophobicContact CG2-CE1 4.43Å; I523-F529 HydrophobicContact CG2-CG 3.87Å; F529-N536 HydrophobicContact CD2-CB 4.41Å; F529-W537 CarbonylContact C-O 3.51Å; F529-W537 WeakPolarHBondContact CA-O 3.4Å; F529-W537 VanDerWaalsContact CB-O 3.27Å; F529-W537 WeakPolarHBondContact CB-O 3.29Å
530	L	91.7	Very high	87.1	Confident	40 Å²	40	72.2 Å²	72.2	21%	0.209	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	150.2	174.5	61.9	87.4	0	0	0	109.8	A532 W537 F542	L530-A532 HydrophobicContact CD1-CB 3.67Å; L530-W537 HydrophobicContact CD1-CB 4.17Å; L530-W537 HydrophobicContact CD1-CG 4.43Å; L530-W537 HydrophobicContact CG-CB 4.45Å; L530-W537 PolarHBondContact N-O 3.43Å; L530-W537 PolarHBondContact O-N 3.23Å; L530-F542 HydrophobicContact CD1-CB 4.03Å; L530-F542 HydrophobicContact CD1-CD1 3.9Å; L530-F542 HydrophobicContact CD1-CD2 3.97Å; L530-F542 HydrophobicContact CD1-CE1 4.35Å; L530-F542 HydrophobicContact CD1-CE2 4.42Å; L530-F542 HydrophobicContact CD1-CG 3.7Å; L530-F542 HydrophobicContact CD2-CB 3.92Å; L530-F542 HydrophobicContact CD2-CD1 3.99Å; L530-F542 HydrophobicContact CD2-CG 4.14Å; L530-F542 HydrophobicContact CG-CB 4.29Å; L530-F542 HydrophobicContact CG-CG 4.43Å
531	E	91.6	Very high	87.4	Confident	149 Å²	149	65 Å²	65	70%	0.696	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	124.2	171.3	-165.5	-171.3	155.2	0	0	109.1	Y535	E531-Y535 WeakPolarHBondContact CA-O 3.35Å
532	A	89.1	Confident	88	Confident	9 Å²	9	62 Å²	62	7%	0.074	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	138.8	178	0	0	0	0	0	110.8	L530 G534 Y535 W537 F542 F556	L530-A532 HydrophobicContact CD1-CB 3.67Å; A532-G534 PolarHBondContact O-N 3.11Å; A532-Y535 PolarHBondContact N-O 2.83Å; A532-Y535 PolarHBondContact O-N 2.85Å; A532-Y535 VanDerWaalsContact O-N 3.08Å; A532-W537 PolarHBondContact O-NE1 2.92Å; A532-F542 HydrophobicContact CB-CD2 4.16Å; A532-F542 HydrophobicContact CB-CE1 4.46Å; A532-F542 HydrophobicContact CB-CE2 3.47Å; A532-F542 VanDerWaalsContact CB-CE2 3.47Å; A532-F542 HydrophobicContact CB-CZ 3.66Å; A532-F556 HydrophobicContact CB-CZ 4.35Å
533	L	87.2	Confident	88.3	Confident	52 Å²	52	61.9 Å²	61.9	27%	0.272	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	26.3	-180	-51.5	178	0	0	0	114.2	Y535 F556 D561	L533-Y535 VanDerWaalsContact C-N 3.33Å; L533-Y535 VanDerWaalsContact O-CD2 3.3Å; L533-Y535 WeakPolarHBondContact O-CD2 3.34Å; L533-F556 HydrophobicContact CD2-CE2 4.06Å; L533-F556 HydrophobicContact CG-CE2 4.38Å; L533-D561 WeakPolarHBondContact CD1-O 3.42Å
534	G	85.5	Confident	88.6	Confident	64 Å²	64	61.1 Å²	61.1	66%	0.66	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	13	-176.7	0	0	0	0	0	114.4	A532	A532-G534 PolarHBondContact O-N 3.11Å
535	Y	89.5	Confident	88.9	Confident	106 Å²	106	60.9 Å²	60.9	42%	0.416	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	155.9	177.7	-58.7	-76.1	0	0	0	111.5	H517 E531 A532 L533 W537	H517-Y535 HydrophobicContact CB-CD1 4.44Å; H517-Y535 HydrophobicContact CB-CG 4.12Å; H517-Y535 AromaticContact CE1-CD2 3.97Å; H517-Y535 AromaticContact CE1-CE1 3.87Å; H517-Y535 AromaticContact CE1-CE2 3.79Å; H517-Y535 AromaticContact CE1-CZ 3.74Å; H517-Y535 AromaticContact CG-CG 3.93Å; H517-Y535 AromaticContact ND1-CD1 3.26Å; H517-Y535 VanDerWaalsContact ND1-CD1 3.26Å; H517-Y535 WeakPolarHBondContact ND1-CD1 3.22Å; H517-Y535 AromaticContact ND1-CD2 3.65Å; H517-Y535 AromaticContact ND1-CE1 3.48Å; H517-Y535 WeakPolarHBondContact ND1-CE1 3.31Å; H517-Y535 AromaticContact ND1-CE2 3.86Å; H517-Y535 AromaticContact ND1-CG 3.35Å; H517-Y535 AromaticContact ND1-CZ 3.78Å; E531-Y535 WeakPolarHBondContact CA-O 3.35Å; A532-Y535 PolarHBondContact N-O 2.83Å; A532-Y535 PolarHBondContact O-N 2.85Å; A532-Y535 VanDerWaalsContact O-N 3.08Å; L533-Y535 VanDerWaalsContact C-N 3.33Å; L533-Y535 VanDerWaalsContact O-CD2 3.3Å; L533-Y535 WeakPolarHBondContact O-CD2 3.34Å; Y535-W537 PolarHBondContact O-NE1 3.41Å
536	N	91.8	Very high	89.6	Confident	41 Å²	41	60.1 Å²	60.1	22%	0.219	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	145.9	170.7	-61.8	-69.6	0	0	0	110.7	C516 H517 I523 F529	C516-N536 CarbonylContact C-O 3.55Å; C516-N536 WeakPolarHBondContact CA-O 3.48Å; H517-N536 PolarHBondContact N-O 2.91Å; I523-N536 HydrophobicContact CD1-CB 3.58Å; F529-N536 HydrophobicContact CD2-CB 4.41Å
537	W	91.9	Very high	90.2	Very high	13 Å²	13	59.2 Å²	59.2	5%	0.049	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	137.9	178.8	-52.1	76.3	0	0	0	109.5	H517 G518 F529 L530 A532 Y535 F542 P563	H517-W537 HydrophobicContact CB-CD2 4.3Å; H517-W537 HydrophobicContact CB-CE3 4.46Å; H517-W537 HydrophobicContact CB-CH2 4.14Å; H517-W537 HydrophobicContact CB-CZ2 3.98Å; H517-W537 HydrophobicContact CB-CZ3 4.39Å; H517-W537 AromaticContact CD2-CH2 3.5Å; H517-W537 AromaticContact CD2-CZ2 3.85Å; G518-W537 VanDerWaalsContact CA-CZ3 3.46Å; F529-W537 CarbonylContact C-O 3.51Å; F529-W537 WeakPolarHBondContact CA-O 3.4Å; F529-W537 VanDerWaalsContact CB-O 3.27Å; F529-W537 WeakPolarHBondContact CB-O 3.29Å; L530-W537 HydrophobicContact CD1-CB 4.17Å; L530-W537 HydrophobicContact CD1-CG 4.43Å; L530-W537 HydrophobicContact CG-CB 4.45Å; L530-W537 PolarHBondContact N-O 3.43Å; L530-W537 PolarHBondContact O-N 3.23Å; A532-W537 PolarHBondContact O-NE1 2.92Å; Y535-W537 PolarHBondContact O-NE1 3.41Å; W537-F542 HydrophobicContact CB-CB 4.08Å; W537-F542 HydrophobicContact CB-CD2 4.33Å; W537-F542 AromaticContact CD2-CD2 3.8Å; W537-F542 HydrophobicContact CD2-CD2 3.8Å; W537-F542 HydrophobicContact CE3-CD2 4.19Å; W537-F542 HydrophobicContact CG-CB 4.47Å; W537-F542 AromaticContact CG-CD2 3.84Å; W537-F542 HydrophobicContact CG-CD2 3.84Å; W537-P563 HydrophobicContact CH2-CG 4.42Å
538	H	91.8	Very high	90.3	Very high	13 Å²	13	60.9 Å²	60.9	6%	0.06	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	149.3	162.2	-54.9	104.2	0	0	0	109.9	C516 C519 D527 K528 T540 C541 F542	C516-H538 WeakPolarHBondContact CB-CE1 3.27Å; C516-H538 WeakPolarHBondContact CB-ND1 3.37Å; C516-H538 PolarHBondContact SG-N 2.92Å; C516-H538 PolarHBondContact SG-ND1 3.32Å; C519-H538 VanDerWaalsContact SG-CE1 3.59Å; C519-H538 PolarHBondContact SG-ND1 3.42Å; C519-H538 VanDerWaalsContact SG-ND1 3.37Å; D527-H538 IonicContact OD2-NE2 3.83Å; K528-H538 WeakPolarHBondContact O-CA 3.29Å; H538-T540 PolarHBondContact O-N 3.33Å; H538-C541 HydrophobicContact CB-CB 3.99Å; H538-C541 WeakPolarHBondContact O-CA 3.44Å; H538-C541 PolarHBondContact O-N 3.48Å; H538-F542 PolarHBondContact O-N 3.41Å; H538-F542 VanDerWaalsContact O-N 3.14Å
539	D	90.3	Very high	90.3	Very high	34 Å²	34	56.3 Å²	56.3	18%	0.182	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-45.9	-47.2	174.7	61.5	-10.4	0	0	0	112.8	K528	K528-D539 HydrophobicContact CB-CB 3.98Å; K528-D539 WeakPolarHBondContact CB-OD2 3.42Å; K528-D539 WeakPolarHBondContact CD-OD2 3.43Å; K528-D539 PolarHBondContact O-N 3.21Å
540	T	90.4	Very high	90.2	Very high	103 Å²	103	53.9 Å²	53.9	63%	0.632	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-77.1	-15	179.6	42.8	0	0	0	0	114.2	H538 V543	H538-T540 PolarHBondContact O-N 3.33Å; T540-V543 WeakPolarHBondContact O-CG1 3.13Å
541	C	91.1	Very high	90.1	Very high	28 Å²	28	52.3 Å²	52.3	19%	0.189	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-95.6	-16.4	177.1	-67.2	0	0	0	0	113.1	C516 C519 H538 V543	C516-C541 VanDerWaalsContact SG-CB 3.56Å; C519-C541 VanDerWaalsContact SG-SG 3.6Å; H538-C541 HydrophobicContact CB-CB 3.99Å; H538-C541 WeakPolarHBondContact O-CA 3.44Å; H538-C541 PolarHBondContact O-N 3.48Å; C541-V543 VanDerWaalsContact C-N 3.25Å; C541-V543 PolarHBondContact O-N 2.7Å
542	F	93.5	Very high	90	Very high	3 Å²	3	50.1 Å²	50.1	1%	0.013	31%	0.307	C	S	.	.			trans	-81.7	70.9	177	-166.3	-116.1	0	0	0	111.6	L530 A532 W537 H538 L551 F556 P563	L530-F542 HydrophobicContact CD1-CB 4.03Å; L530-F542 HydrophobicContact CD1-CD1 3.9Å; L530-F542 HydrophobicContact CD1-CD2 3.97Å; L530-F542 HydrophobicContact CD1-CE1 4.35Å; L530-F542 HydrophobicContact CD1-CE2 4.42Å; L530-F542 HydrophobicContact CD1-CG 3.7Å; L530-F542 HydrophobicContact CD2-CB 3.92Å; L530-F542 HydrophobicContact CD2-CD1 3.99Å; L530-F542 HydrophobicContact CD2-CG 4.14Å; L530-F542 HydrophobicContact CG-CB 4.29Å; L530-F542 HydrophobicContact CG-CG 4.43Å; A532-F542 HydrophobicContact CB-CD2 4.16Å; A532-F542 HydrophobicContact CB-CE1 4.46Å; A532-F542 HydrophobicContact CB-CE2 3.47Å; A532-F542 VanDerWaalsContact CB-CE2 3.47Å; A532-F542 HydrophobicContact CB-CZ 3.66Å; W537-F542 HydrophobicContact CB-CB 4.08Å; W537-F542 HydrophobicContact CB-CD2 4.33Å; W537-F542 AromaticContact CD2-CD2 3.8Å; W537-F542 HydrophobicContact CD2-CD2 3.8Å; W537-F542 HydrophobicContact CE3-CD2 4.19Å; W537-F542 HydrophobicContact CG-CB 4.47Å; W537-F542 AromaticContact CG-CD2 3.84Å; W537-F542 HydrophobicContact CG-CD2 3.84Å; H538-F542 PolarHBondContact O-N 3.41Å; H538-F542 VanDerWaalsContact O-N 3.14Å; F542-L551 HydrophobicContact CD1-CB 3.58Å; F542-L551 HydrophobicContact CE1-CB 3.57Å; F542-L551 HydrophobicContact CE1-CD1 4.46Å; F542-L551 WeakPolarHBondContact O-CB 3.39Å; F542-L551 PolarHBondContact O-N 3.4Å; F542-F556 AromaticContact CE1-CD1 3.68Å; F542-F556 HydrophobicContact CE1-CD1 3.68Å; F542-F556 AromaticContact CE1-CE1 3.9Å; F542-F556 HydrophobicContact CE1-CE1 3.9Å; F542-F556 HydrophobicContact CE1-CG 4.03Å; F542-F556 HydrophobicContact CE1-CZ 4.42Å; F542-F556 AromaticContact CZ-CD1 3.79Å; F542-F556 HydrophobicContact CZ-CD1 3.79Å; F542-F556 AromaticContact CZ-CD2 3.88Å; F542-F556 HydrophobicContact CZ-CD2 3.88Å; F542-F556 AromaticContact CZ-CE1 3.8Å; F542-F556 HydrophobicContact CZ-CE1 3.8Å; F542-F556 AromaticContact CZ-CE2 3.89Å; F542-F556 HydrophobicContact CZ-CE2 3.89Å; F542-F556 AromaticContact CZ-CG 3.84Å; F542-F556 HydrophobicContact CZ-CG 3.84Å; F542-F556 AromaticContact CZ-CZ 3.85Å; F542-F556 HydrophobicContact CZ-CZ 3.85Å; F542-P563 HydrophobicContact CD2-CB 4.38Å; F542-P563 HydrophobicContact CD2-CG 4.24Å; F542-P563 HydrophobicContact CE2-CB 3.67Å; F542-P563 HydrophobicContact CE2-CG 3.94Å; F542-P563 HydrophobicContact CZ-CB 3.92Å
543	V	92.6	Very high	89.7	Confident	41 Å²	41	53.7 Å²	53.7	25%	0.248	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-111.8	152.2	-175.2	-61.4	0	0	0	0	112.8	T540 C541 V545 A549	T540-V543 WeakPolarHBondContact O-CG1 3.13Å; C541-V543 VanDerWaalsContact C-N 3.25Å; C541-V543 PolarHBondContact O-N 2.7Å; V543-V545 PolarHBondContact O-N 3.35Å; V543-A549 CarbonylContact C-O 3.12Å; V543-A549 WeakPolarHBondContact CA-O 3.47Å
544	C	92.5	Very high	89.5	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	36%	0.359	C	S	.	.			trans	-65.6	118.1	173.6	174.1	0	0	0	0	111.1	V546 C547 C548 A549 L551 C565	C544-V546 PolarHBondContact O-N 3.41Å; C544-C547 PolarHBondContact O-N 2.96Å; C544-C548 WeakPolarHBondContact O-CA 3.5Å; C544-C548 PolarHBondContact O-N 3.47Å; C544-A549 PolarHBondContact N-O 3.26Å; C544-L551 HydrophobicContact CB-CD1 4.07Å; C544-L551 HydrophobicContact CB-CD2 4.28Å; C544-L551 HydrophobicContact CB-CG 4.28Å; C544-C565 HydrophobicContact CB-CB 3.92Å; C544-C565 PolarHBondContact SG-N 3.22Å
545	V	89.1	Confident	89.6	Confident	82 Å²	82	58.6 Å²	58.6	50%	0.497	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-22.2	-174.7	177.7	0	0	0	0	114.4	V543 K562 P563	V543-V545 PolarHBondContact O-N 3.35Å; V545-K562 HydrophobicContact CG1-CD 4.45Å; V545-K562 HydrophobicContact CG2-CB 4.01Å; V545-K562 HydrophobicContact CG2-CG 4.38Å; V545-P563 PolarHBondContact N-O 2.99Å; V545-P563 VanDerWaalsContact N-O 3.16Å
546	V	89.3	Confident	89.5	Confident	92 Å²	92	57.1 Å²	57.1	56%	0.558	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-23.9	179.9	178.3	0	0	0	0	113.4	C544 L564 H568	C544-V546 PolarHBondContact O-N 3.41Å; V546-L564 HydrophobicContact CG2-CD2 3.79Å; V546-H568 HydrophobicContact CB-CB 4Å; V546-H568 HydrophobicContact CG1-CB 4.22Å; V546-H568 HydrophobicContact CG2-CB 4.12Å
547	C	90.7	Very high	89.4	Confident	57 Å²	57	59 Å²	59	39%	0.385	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.7	10.5	-171.5	73.1	0	0	0	0	116	C544 A549 H568	C544-C547 PolarHBondContact O-N 2.96Å; C547-A549 PolarHBondContact O-N 3.32Å; C547-H568 VanDerWaalsContact CB-CE1 3.49Å; C547-H568 WeakPolarHBondContact CB-CE1 3.23Å; C547-H568 PolarHBondContact SG-CE1 3.34Å
548	C	87.7	Confident	89.3	Confident	100 Å²	100	61.6 Å²	61.6	68%	0.676	38%	0.378	S	S	*	.			trans	53.4	12.1	176.3	-56.4	0	0	0	0	116.5	C544	C544-C548 WeakPolarHBondContact O-CA 3.5Å; C544-C548 PolarHBondContact O-N 3.47Å
549	A	87.9	Confident	89.1	Confident	46 Å²	46	66.8 Å²	66.8	38%	0.38	40%	0.4	S	S	.	.			trans	-73.1	133.9	174.3	0	0	0	0	0	109.9	V543 C544 C547	V543-A549 CarbonylContact C-O 3.12Å; V543-A549 WeakPolarHBondContact CA-O 3.47Å; C544-A549 PolarHBondContact N-O 3.26Å; C547-A549 PolarHBondContact O-N 3.32Å
550	S	89.5	Confident	88.8	Confident	59 Å²	59	74.3 Å²	74.3	41%	0.413	43%	0.431	S	S	.	.	B	Isolated β-bridge	trans	-57.2	142.7	173.5	179.9	0	0	0	0	111.2	E552	S550-E552 WeakPolarHBondContact OG-CB 3.41Å; S550-E552 PolarHBondContact OG-N 3.4Å
551	L	90.1	Very high	88.4	Confident	6 Å²	6	74.2 Å²	74.2	3%	0.031	43%	0.427	C	S	.	.			trans	-109.8	4.7	176.3	-64.4	171	0	0	0	112.2	F542 C544 G553 Q554 F556 P563 C565	F542-L551 HydrophobicContact CD1-CB 3.58Å; F542-L551 HydrophobicContact CE1-CB 3.57Å; F542-L551 HydrophobicContact CE1-CD1 4.46Å; F542-L551 WeakPolarHBondContact O-CB 3.39Å; F542-L551 PolarHBondContact O-N 3.4Å; C544-L551 HydrophobicContact CB-CD1 4.07Å; C544-L551 HydrophobicContact CB-CD2 4.28Å; C544-L551 HydrophobicContact CB-CG 4.28Å; L551-G553 PolarHBondContact O-N 3.35Å; L551-Q554 PolarHBondContact O-N 3.38Å; L551-F556 HydrophobicContact CB-CB 4.29Å; L551-F556 HydrophobicContact CD1-CB 3.95Å; L551-F556 HydrophobicContact CD2-CB 4.17Å; L551-F556 HydrophobicContact CG-CB 4.37Å; L551-P563 HydrophobicContact CD1-CB 3.74Å; L551-P563 HydrophobicContact CD1-CG 4.47Å; L551-C565 HydrophobicContact CD2-CB 3.62Å
552	E	87.8	Confident	88.2	Confident	104 Å²	104	78.6 Å²	78.6	49%	0.486	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	124.8	172.7	-169.9	-171.7	-179.2	0	0	110.6	S550 Q554	S550-E552 WeakPolarHBondContact OG-CB 3.41Å; S550-E552 PolarHBondContact OG-N 3.4Å; E552-Q554 PolarHBondContact O-N 2.95Å; E552-Q554 VanDerWaalsContact O-N 3.1Å
553	G	83.6	Confident	88.1	Confident	84 Å²	84	78.6 Å²	78.6	87%	0.866	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	6.4	-177.8	0	0	0	0	0	116	L551	L551-G553 PolarHBondContact O-N 3.35Å
554	Q	84.2	Confident	88	Confident	125 Å²	125	77.3 Å²	77.3	58%	0.584	43%	0.434	S	S	*	.	S	Bend	trans	-107.8	153.5	-177.2	-65.5	-60.7	-41.8	0	0	112.7	L551 E552 F556	L551-Q554 PolarHBondContact O-N 3.38Å; E552-Q554 PolarHBondContact O-N 2.95Å; E552-Q554 VanDerWaalsContact O-N 3.1Å; Q554-F556 PolarHBondContact O-N 3.4Å
555	T	85.6	Confident	88	Confident	94 Å²	94	78.3 Å²	78.3	58%	0.577	44%	0.441	S	S	*	.			trans	-69.8	104	171.4	61.3	0	0	0	0	110.2
556	F	88.6	Confident	88	Confident	75 Å²	75	81.1 Å²	81.1	33%	0.329	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	167.5	173.9	69.1	-89.3	0	0	0	111.9	A532 L533 F542 L551 Q554 L564	A532-F556 HydrophobicContact CB-CZ 4.35Å; L533-F556 HydrophobicContact CD2-CE2 4.06Å; L533-F556 HydrophobicContact CG-CE2 4.38Å; F542-F556 AromaticContact CE1-CD1 3.68Å; F542-F556 HydrophobicContact CE1-CD1 3.68Å; F542-F556 AromaticContact CE1-CE1 3.9Å; F542-F556 HydrophobicContact CE1-CE1 3.9Å; F542-F556 HydrophobicContact CE1-CG 4.03Å; F542-F556 HydrophobicContact CE1-CZ 4.42Å; F542-F556 AromaticContact CZ-CD1 3.79Å; F542-F556 HydrophobicContact CZ-CD1 3.79Å; F542-F556 AromaticContact CZ-CD2 3.88Å; F542-F556 HydrophobicContact CZ-CD2 3.88Å; F542-F556 AromaticContact CZ-CE1 3.8Å; F542-F556 HydrophobicContact CZ-CE1 3.8Å; F542-F556 AromaticContact CZ-CE2 3.89Å; F542-F556 HydrophobicContact CZ-CE2 3.89Å; F542-F556 AromaticContact CZ-CG 3.84Å; F542-F556 HydrophobicContact CZ-CG 3.84Å; F542-F556 AromaticContact CZ-CZ 3.85Å; F542-F556 HydrophobicContact CZ-CZ 3.85Å; L551-F556 HydrophobicContact CB-CB 4.29Å; L551-F556 HydrophobicContact CD1-CB 3.95Å; L551-F556 HydrophobicContact CD2-CB 4.17Å; L551-F556 HydrophobicContact CG-CB 4.37Å; Q554-F556 PolarHBondContact O-N 3.4Å; F556-L564 WeakPolarHBondContact CA-O 3.47Å
557	F	89.7	Confident	87.8	Confident	81 Å²	81	85.5 Å²	85.5	36%	0.355	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	146.8	173.3	-62.3	-106	0	0	0	108.6	L564 K566 A569 H570	F557-L564 PolarHBondContact N-O 3.17Å; F557-L564 PolarHBondContact O-N 2.87Å; F557-K566 HydrophobicContact CE2-CB 4.12Å; F557-K566 HydrophobicContact CE2-CG 4.11Å; F557-A569 HydrophobicContact CB-CB 3.49Å; F557-A569 VanDerWaalsContact CB-CB 3.49Å; F557-A569 HydrophobicContact CD1-CB 4.04Å; F557-A569 HydrophobicContact CD2-CB 3.32Å; F557-A569 HydrophobicContact CE2-CB 4.03Å; F557-A569 HydrophobicContact CG-CB 3.34Å; F557-H570 AromaticContact CE1-CE1 3.85Å; F557-H570 AromaticContact CZ-CE1 3.87Å
558	S	89.1	Confident	87.7	Confident	67 Å²	67	86.2 Å²	86.2	47%	0.469	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	144.1	173.1	48	0	0	0	0	111.9	K562	S558-K562 WeakPolarHBondContact CA-O 3.29Å
559	K	87.1	Confident	87.5	Confident	122 Å²	122	82.1 Å²	82.1	53%	0.53	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	110.8	171.9	-169.9	176.3	-176.7	178.8	0	109.3	D561 K562 L564	K559-D561 VanDerWaalsContact C-N 3.3Å; K559-K562 PolarHBondContact N-O 2.94Å; K559-K562 VanDerWaalsContact N-O 3.16Å; K559-K562 PolarHBondContact O-N 3.31Å; K559-L564 HydrophobicContact CB-CD1 3.8Å; K559-L564 HydrophobicContact CD-CD1 4.37Å
560	K	84.1	Confident	86.9	Confident	192 Å²	192	85.6 Å²	85.6	84%	0.835	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	50.1	-165.6	-54.5	-175.7	177.8	-172.1	0	111.1	K562	K560-K562 PolarHBondContact O-N 3.16Å
561	D	83.6	Confident	85.5	Confident	101 Å²	101	87.2 Å²	87.2	54%	0.54	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	9.3	176.6	-44.8	-51.7	0	0	0	116.2	L533 K559	L533-D561 WeakPolarHBondContact CD1-O 3.42Å; K559-D561 VanDerWaalsContact C-N 3.3Å
562	K	87	Confident	83.5	Confident	120 Å²	120	92.8 Å²	92.8	52%	0.522	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	128.5	173	-70.8	176.1	-172.3	-57.4	0	110.2	V545 S558 K559 K560	V545-K562 HydrophobicContact CG1-CD 4.45Å; V545-K562 HydrophobicContact CG2-CB 4.01Å; V545-K562 HydrophobicContact CG2-CG 4.38Å; S558-K562 WeakPolarHBondContact CA-O 3.29Å; K559-K562 PolarHBondContact N-O 2.94Å; K559-K562 VanDerWaalsContact N-O 3.16Å; K559-K562 PolarHBondContact O-N 3.31Å; K560-K562 PolarHBondContact O-N 3.16Å
563	P	90.6	Very high	81.3	Confident	2 Å²	2	97.4 Å²	97.4	1%	0.013	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	136.4	179.1	31.9	-35.5	0	0	0	111.8	W537 F542 V545 L551	W537-P563 HydrophobicContact CH2-CG 4.42Å; F542-P563 HydrophobicContact CD2-CB 4.38Å; F542-P563 HydrophobicContact CD2-CG 4.24Å; F542-P563 HydrophobicContact CE2-CB 3.67Å; F542-P563 HydrophobicContact CE2-CG 3.94Å; F542-P563 HydrophobicContact CZ-CB 3.92Å; V545-P563 PolarHBondContact N-O 2.99Å; V545-P563 VanDerWaalsContact N-O 3.16Å; L551-P563 HydrophobicContact CD1-CB 3.74Å; L551-P563 HydrophobicContact CD1-CG 4.47Å
564	L	90.6	Very high	78.9	Confident	15 Å²	15	105.1 Å²	105.1	8%	0.079	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	138.9	-176.2	-63.1	173.6	0	0	0	110.8	V546 F556 F557 K559 H568 A569	V546-L564 HydrophobicContact CG2-CD2 3.79Å; F556-L564 WeakPolarHBondContact CA-O 3.47Å; F557-L564 PolarHBondContact N-O 3.17Å; F557-L564 PolarHBondContact O-N 2.87Å; K559-L564 HydrophobicContact CB-CD1 3.8Å; K559-L564 HydrophobicContact CD-CD1 4.37Å; L564-H568 HydrophobicContact CD2-CB 4.48Å; L564-A569 HydrophobicContact CB-CB 4.46Å
565	C	91.6	Very high	78.7	Confident	20 Å²	20	104.1 Å²	104.1	14%	0.135	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	159.6	170.5	78.1	0	0	0	0	110.7	C544 L551 K567 H568 A569	C544-C565 HydrophobicContact CB-CB 3.92Å; C544-C565 PolarHBondContact SG-N 3.22Å; L551-C565 HydrophobicContact CD2-CB 3.62Å; C565-K567 PolarHBondContact O-N 2.83Å; C565-H568 PolarHBondContact O-N 3.44Å; C565-H568 PolarHBondContact SG-ND1 3.03Å; C565-A569 PolarHBondContact O-N 3.1Å
566	K	88.8	Confident	78.3	Confident	142 Å²	142	104.6 Å²	104.6	62%	0.617	51%	0.508	S	S	*	.	H	α-helix	trans	-49.5	-30.5	179.9	-170.4	170.7	-178.3	174.6	0	114.7	F557	F557-K566 HydrophobicContact CE2-CB 4.12Å; F557-K566 HydrophobicContact CE2-CG 4.11Å
567	K	87	Confident	77.7	Confident	183 Å²	183	106.3 Å²	106.3	80%	0.796	52%	0.518	S	S	*	.	H	α-helix	trans	-73.2	-29.4	177.3	-61	-175.9	179.6	-179.1	0	114.1	C565	C565-K567 PolarHBondContact O-N 2.83Å
568	H	87.1	Confident	77	Confident	72 Å²	72	107.8 Å²	107.8	33%	0.333	53%	0.528	S	S	.	.	H	α-helix	trans	-109.9	-8.7	-176.2	-57	125.3	0	0	0	113.5	V546 C547 L564 C565	V546-H568 HydrophobicContact CB-CB 4Å; V546-H568 HydrophobicContact CG1-CB 4.22Å; V546-H568 HydrophobicContact CG2-CB 4.12Å; C547-H568 VanDerWaalsContact CB-CE1 3.49Å; C547-H568 WeakPolarHBondContact CB-CE1 3.23Å; C547-H568 PolarHBondContact SG-CE1 3.34Å; L564-H568 HydrophobicContact CD2-CB 4.48Å; C565-H568 PolarHBondContact O-N 3.44Å; C565-H568 PolarHBondContact SG-ND1 3.03Å
569	A	83.9	Confident	76.3	Confident	15 Å²	15	110.3 Å²	110.3	12%	0.124	53%	0.531	C	S	.	.	H	α-helix	trans	-63	-43.5	174.3	0	0	0	0	0	113	F557 L564 C565 P571	F557-A569 HydrophobicContact CB-CB 3.49Å; F557-A569 VanDerWaalsContact CB-CB 3.49Å; F557-A569 HydrophobicContact CD1-CB 4.04Å; F557-A569 HydrophobicContact CD2-CB 3.32Å; F557-A569 HydrophobicContact CE2-CB 4.03Å; F557-A569 HydrophobicContact CG-CB 3.34Å; L564-A569 HydrophobicContact CB-CB 4.46Å; C565-A569 PolarHBondContact O-N 3.1Å; A569-P571 WeakPolarHBondContact O-CD 3.47Å
570	H	75.3	Confident	75.5	Confident	119 Å²	119	109.5 Å²	109.5	55%	0.551	53%	0.532	S	S	*	.	S	Bend	trans	-94.2	113.8	179.6	-65	80.8	0	0	0	108.8	F557 V572	F557-H570 AromaticContact CE1-CE1 3.85Å; F557-H570 AromaticContact CZ-CE1 3.87Å; H570-V572 PolarHBondContact O-N 3.16Å
571	P	59.8	Low	74.9	Confident	92 Å²	92	103.6 Å²	103.6	60%	0.597	51%	0.51	S	S	*	.			trans	-62.4	127.7	161.5	28.4	-31.5	0	0	0	107.1	A569 K573	A569-P571 WeakPolarHBondContact O-CD 3.47Å; P571-K573 PolarHBondContact O-N 3.12Å
572	V	49.4	Very low	74.3	Confident	123 Å²	123	103.8 Å²	103.8	75%	0.745	51%	0.508	S	S	*	.			trans	-60.9	112.2	168.9	178.1	0	0	0	0	106.5	H570 M574	H570-V572 PolarHBondContact O-N 3.16Å; V572-M574 HydrophobicContact CG1-CG 4.32Å; V572-M574 PolarHBondContact O-N 3.48Å; V572-M574 VanDerWaalsContact O-N 3.11Å
573	K	40.6	Very low	73.2	Confident	201 Å²	201	102.5 Å²	102.5	87%	0.874	51%	0.506	S	S	*	.			trans	-68.2	105.8	166	-74.7	-173.3	174.6	-174.6	0	107	P571	P571-K573 PolarHBondContact O-N 3.12Å
574	M	33.7	Very low	71.6	Confident	246 Å²	246	111.6 Å²	111.6	100%	1.212	55%	0.551	S	S	*	*			trans	-85.7	0	154	-64.5	-171.6	172.5	0	0	108.5	V572	V572-M574 HydrophobicContact CG1-CG 4.32Å; V572-M574 PolarHBondContact O-N 3.48Å; V572-M574 VanDerWaalsContact O-N 3.11Å

Retrieved 574 of 574 residues in 915.3 ms (Link to these results)

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