A0A3Q0KKY6_SCHMA Loading...

Apple domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KKY6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 771 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	53.8	Low	72.6	Confident	208 Å²	208	124.6 Å²	124.6	100%	1.025	61%	0.609	S	S	*	*				0	-44.3	0	-93	175.6	80.2	0	0	113.7	S3 I4	M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 2.72Å; M1-I4 PolarHBondContact O-N 2.91Å
2	Y	58.5	Low	72.4	Confident	155 Å²	155	120.5 Å²	120.5	61%	0.608	60%	0.602	S	S	*	*	H	α-helix	trans	-62.1	-28.2	-176	-70.5	-76.5	0	0	0	116.4	I4 V6 I770	Y2-I4 VanDerWaalsContact C-N 3.34Å; Y2-I4 PolarHBondContact O-N 3.28Å; Y2-V6 PolarHBondContact O-N 3.23Å; Y2-I770 HydrophobicContact CE1-CD1 4.29Å
3	S	76.8	Confident	72.3	Confident	86 Å²	86	117.7 Å²	117.7	60%	0.601	59%	0.589	S	S	*	*	H	α-helix	trans	-67.3	-30.9	180	173.7	0	0	0	0	113.6	M1 I7	M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 2.72Å; S3-I7 WeakPolarHBondContact O-CD1 3.35Å; S3-I7 VanDerWaalsContact O-CG1 3.24Å; S3-I7 WeakPolarHBondContact O-CG1 3.49Å; S3-I7 PolarHBondContact O-N 2.69Å
4	I	76.5	Confident	71.4	Confident	118 Å²	118	114 Å²	114	61%	0.605	58%	0.576	S	S	*	*	H	α-helix	trans	-75.4	-38.6	-178.1	-63.3	173.6	0	0	0	110.8	M1 Y2 I7 L8	M1-I4 PolarHBondContact O-N 2.91Å; Y2-I4 VanDerWaalsContact C-N 3.34Å; Y2-I4 PolarHBondContact O-N 3.28Å; I4-I7 PolarHBondContact O-N 2.84Å; I4-L8 HydrophobicContact CG2-CD1 3.92Å; I4-L8 HydrophobicContact CG2-CG 4.5Å; I4-L8 WeakPolarHBondContact O-CG 3.17Å; I4-L8 PolarHBondContact O-N 2.95Å
5	Q	73.6	Confident	70	Confident	124 Å²	124	113.6 Å²	113.6	58%	0.579	58%	0.575	S	S	*	*	H	α-helix	trans	-65.2	-40.5	178.4	-91.2	179.9	-28.4	0	0	112.9	L8 I9	Q5-L8 PolarHBondContact O-N 2.99Å; Q5-I9 VanDerWaalsContact O-CG1 3.31Å; Q5-I9 WeakPolarHBondContact O-CG1 3.39Å; Q5-I9 PolarHBondContact O-N 3.22Å
6	V	76.3	Confident	68.9	Low	89 Å²	89	116.9 Å²	116.9	54%	0.539	58%	0.58	S	S	.	*	H	α-helix	trans	-66.4	-40.5	178.4	176.8	0	0	0	0	111.1	Y2 I9 F10	Y2-V6 PolarHBondContact O-N 3.23Å; V6-I9 PolarHBondContact O-N 3.4Å; V6-F10 PolarHBondContact O-N 3.18Å
7	I	77.7	Confident	67.5	Low	87 Å²	87	115 Å²	115	45%	0.446	57%	0.571	S	S	.	*	H	α-helix	trans	-63.2	-45.3	176.3	-67.7	168.2	0	0	0	110.4	S3 I4 I9 F10 Y11	S3-I7 WeakPolarHBondContact O-CD1 3.35Å; S3-I7 VanDerWaalsContact O-CG1 3.24Å; S3-I7 WeakPolarHBondContact O-CG1 3.49Å; S3-I7 PolarHBondContact O-N 2.69Å; I4-I7 PolarHBondContact O-N 2.84Å; I7-I9 PolarHBondContact O-N 3.21Å; I7-F10 PolarHBondContact O-N 3.36Å; I7-Y11 HydrophobicContact CG2-CD2 3.64Å; I7-Y11 HydrophobicContact CG2-CE2 3.64Å; I7-Y11 WeakPolarHBondContact O-CD2 3.16Å; I7-Y11 PolarHBondContact O-N 3.38Å
8	L	76.5	Confident	66	Low	104 Å²	104	115.7 Å²	115.7	55%	0.545	57%	0.573	S	S	.	*	H	α-helix	trans	-60.9	-43.4	177.7	-78.4	165	0	0	0	112.6	I4 Q5 F10 Y11 S12	I4-L8 HydrophobicContact CG2-CD1 3.92Å; I4-L8 HydrophobicContact CG2-CG 4.5Å; I4-L8 WeakPolarHBondContact O-CG 3.17Å; I4-L8 PolarHBondContact O-N 2.95Å; Q5-L8 PolarHBondContact O-N 2.99Å; L8-F10 VanDerWaalsContact C-N 3.33Å; L8-F10 PolarHBondContact O-N 2.69Å; L8-Y11 PolarHBondContact O-N 2.95Å; L8-S12 PolarHBondContact O-N 3.12Å; L8-S12 PolarHBondContact O-OG 2.68Å
9	I	80.3	Confident	64.8	Low	100 Å²	100	113 Å²	113	51%	0.513	57%	0.571	S	S	.	*	H	α-helix	trans	-62.5	-42	176.7	-68.2	165.4	0	0	0	110.7	Q5 V6 I7 S12 I13	Q5-I9 VanDerWaalsContact O-CG1 3.31Å; Q5-I9 WeakPolarHBondContact O-CG1 3.39Å; Q5-I9 PolarHBondContact O-N 3.22Å; V6-I9 PolarHBondContact O-N 3.4Å; I7-I9 PolarHBondContact O-N 3.21Å; I9-S12 PolarHBondContact O-N 3.08Å; I9-I13 HydrophobicContact CG2-CD1 3.73Å; I9-I13 HydrophobicContact CG2-CG1 4.41Å; I9-I13 VanDerWaalsContact O-CG1 3.27Å; I9-I13 WeakPolarHBondContact O-CG1 3.4Å; I9-I13 PolarHBondContact O-N 2.8Å
10	F	75.9	Confident	63.5	Low	142 Å²	142	112.1 Å²	112.1	62%	0.623	57%	0.566	S	S	*	*	H	α-helix	trans	-62.4	-46.2	176.8	-118.3	-85.5	0	0	0	111.7	V6 I7 L8 S12 I13 T14	V6-F10 PolarHBondContact O-N 3.18Å; I7-F10 PolarHBondContact O-N 3.36Å; L8-F10 VanDerWaalsContact C-N 3.33Å; L8-F10 PolarHBondContact O-N 2.69Å; F10-S12 VanDerWaalsContact C-N 3.35Å; F10-S12 PolarHBondContact O-N 3.1Å; F10-I13 PolarHBondContact O-N 2.91Å; F10-T14 PolarHBondContact O-N 2.8Å; F10-T14 PolarHBondContact O-OG1 3.23Å
11	Y	72.5	Confident	62.2	Low	158 Å²	158	113.5 Å²	113.5	62%	0.62	57%	0.571	S	S	*	*	H	α-helix	trans	-61.6	-40.9	175.6	-88	-75.9	0	0	0	112.5	I7 L8 I13 T14 L15	I7-Y11 HydrophobicContact CG2-CD2 3.64Å; I7-Y11 HydrophobicContact CG2-CE2 3.64Å; I7-Y11 WeakPolarHBondContact O-CD2 3.16Å; I7-Y11 PolarHBondContact O-N 3.38Å; L8-Y11 PolarHBondContact O-N 2.95Å; Y11-I13 PolarHBondContact O-N 3.24Å; Y11-T14 PolarHBondContact O-N 3.35Å; Y11-L15 WeakPolarHBondContact O-CB 3.27Å; Y11-L15 WeakPolarHBondContact O-CD1 3.21Å; Y11-L15 WeakPolarHBondContact O-CG 3.47Å; Y11-L15 PolarHBondContact O-N 3.5Å
12	S	70.2	Confident	61.6	Low	75 Å²	75	106.5 Å²	106.5	52%	0.524	54%	0.542	S	S	.	.	H	α-helix	trans	-61.9	-41.7	174.7	-61.9	0	0	0	0	112.3	L8 I9 F10 Y16	L8-S12 PolarHBondContact O-N 3.12Å; L8-S12 PolarHBondContact O-OG 2.68Å; I9-S12 PolarHBondContact O-N 3.08Å; F10-S12 VanDerWaalsContact C-N 3.35Å; F10-S12 PolarHBondContact O-N 3.1Å; S12-Y16 VanDerWaalsContact O-CB 3.24Å; S12-Y16 WeakPolarHBondContact O-CB 2.97Å; S12-Y16 PolarHBondContact O-N 3.14Å
13	I	71.1	Confident	61.2	Low	84 Å²	84	104.3 Å²	104.3	43%	0.431	54%	0.541	S	S	.	.	H	α-helix	trans	-68.4	-43.2	178.1	-68.2	166.7	0	0	0	110.5	I9 F10 Y11 Y16 I17	I9-I13 HydrophobicContact CG2-CD1 3.73Å; I9-I13 HydrophobicContact CG2-CG1 4.41Å; I9-I13 VanDerWaalsContact O-CG1 3.27Å; I9-I13 WeakPolarHBondContact O-CG1 3.4Å; I9-I13 PolarHBondContact O-N 2.8Å; F10-I13 PolarHBondContact O-N 2.91Å; Y11-I13 PolarHBondContact O-N 3.24Å; I13-Y16 PolarHBondContact O-N 2.85Å; I13-I17 HydrophobicContact CG2-CD1 3.65Å; I13-I17 HydrophobicContact CG2-CG1 4.24Å; I13-I17 WeakPolarHBondContact O-CB 3.47Å; I13-I17 VanDerWaalsContact O-CG1 3.25Å; I13-I17 WeakPolarHBondContact O-CG1 3.42Å; I13-I17 PolarHBondContact O-N 2.77Å
14	T	59.6	Low	60.3	Low	66 Å²	66	103.6 Å²	103.6	41%	0.405	53%	0.531	S	S	.	.	H	α-helix	trans	-63.7	-44.1	177.5	-48.9	0	0	0	0	111.2	F10 Y11 Y16 I17 E18	F10-T14 PolarHBondContact O-N 2.8Å; F10-T14 PolarHBondContact O-OG1 3.23Å; Y11-T14 PolarHBondContact O-N 3.35Å; T14-Y16 VanDerWaalsContact C-N 3.3Å; T14-Y16 PolarHBondContact O-N 3.05Å; T14-I17 PolarHBondContact O-N 2.85Å; T14-E18 WeakPolarHBondContact O-CB 3.48Å; T14-E18 PolarHBondContact O-N 2.91Å
15	L	50.5	Low	59.8	Low	108 Å²	108	103.5 Å²	103.5	57%	0.565	53%	0.528	S	S	*	.	H	α-helix	trans	-61.7	-37.8	173.8	-79	163	0	0	0	112	Y11 A19	Y11-L15 WeakPolarHBondContact O-CB 3.27Å; Y11-L15 WeakPolarHBondContact O-CD1 3.21Å; Y11-L15 WeakPolarHBondContact O-CG 3.47Å; Y11-L15 PolarHBondContact O-N 3.5Å; L15-A19 WeakPolarHBondContact O-CB 3.21Å; L15-A19 PolarHBondContact O-N 3.06Å
16	Y	52.2	Low	59.7	Low	167 Å²	167	98.5 Å²	98.5	66%	0.655	50%	0.504	S	S	*	.	H	α-helix	trans	-71	-36.3	176.9	-157.4	-102.9	0	0	0	111.8	S12 I13 T14 I20	S12-Y16 VanDerWaalsContact O-CB 3.24Å; S12-Y16 WeakPolarHBondContact O-CB 2.97Å; S12-Y16 PolarHBondContact O-N 3.14Å; I13-Y16 PolarHBondContact O-N 2.85Å; T14-Y16 VanDerWaalsContact C-N 3.3Å; T14-Y16 PolarHBondContact O-N 3.05Å; Y16-I20 HydrophobicContact CD1-CD1 3.43Å; Y16-I20 VanDerWaalsContact CD1-CD1 3.43Å; Y16-I20 HydrophobicContact CD1-CG1 4.31Å; Y16-I20 HydrophobicContact CE1-CD1 3.43Å; Y16-I20 VanDerWaalsContact CE1-CD1 3.43Å; Y16-I20 HydrophobicContact CE1-CG1 4.33Å; Y16-I20 HydrophobicContact CG-CD1 4.41Å; Y16-I20 WeakPolarHBondContact O-CB 3.44Å; Y16-I20 WeakPolarHBondContact O-CD1 3.39Å; Y16-I20 WeakPolarHBondContact O-CG1 3.49Å; Y16-I20 PolarHBondContact O-N 2.76Å
17	I	45.5	Very low	59.5	Low	84 Å²	84	94.8 Å²	94.8	43%	0.431	48%	0.481	S	S	.	.	H	α-helix	trans	-70.7	-42.9	175.1	-68.7	170.3	0	0	0	110.6	I13 T14 A19 I20 H21	I13-I17 HydrophobicContact CG2-CD1 3.65Å; I13-I17 HydrophobicContact CG2-CG1 4.24Å; I13-I17 WeakPolarHBondContact O-CB 3.47Å; I13-I17 VanDerWaalsContact O-CG1 3.25Å; I13-I17 WeakPolarHBondContact O-CG1 3.42Å; I13-I17 PolarHBondContact O-N 2.77Å; T14-I17 PolarHBondContact O-N 2.85Å; I17-A19 VanDerWaalsContact C-N 3.34Å; I17-I20 CarbonylContact O-C 3.57Å; I17-I20 PolarHBondContact O-N 3.23Å; I17-H21 VanDerWaalsContact O-CB 3.31Å; I17-H21 WeakPolarHBondContact O-CB 3.13Å; I17-H21 PolarHBondContact O-N 2.89Å; I17-H21 PolarHBondContact O-ND1 2.7Å
18	E	41.1	Very low	59.4	Low	128 Å²	128	91.6 Å²	91.6	60%	0.598	47%	0.467	S	S	*	.	H	α-helix	trans	-61.1	-41.6	172.5	-85.4	-179.9	160.4	0	0	111.2	T14 I20 H21 S22	T14-E18 WeakPolarHBondContact O-CB 3.48Å; T14-E18 PolarHBondContact O-N 2.91Å; E18-I20 VanDerWaalsContact C-N 3.32Å; E18-I20 PolarHBondContact O-N 2.71Å; E18-H21 CarbonylContact O-C 3.59Å; E18-H21 PolarHBondContact O-N 3.41Å; E18-S22 PolarHBondContact O-N 2.97Å
19	A	42	Very low	59.4	Low	64 Å²	64	87.1 Å²	87.1	53%	0.529	44%	0.444	S	S	.	.	H	α-helix	trans	-68.5	-27.8	175.1	0	0	0	0	0	113.5	L15 I17 S22	L15-A19 WeakPolarHBondContact O-CB 3.21Å; L15-A19 PolarHBondContact O-N 3.06Å; I17-A19 VanDerWaalsContact C-N 3.34Å; A19-S22 PolarHBondContact O-OG 3.41Å
20	I	39.7	Very low	59.1	Low	94 Å²	94	84.5 Å²	84.5	48%	0.482	43%	0.432	S	S	.	.	H	α-helix	trans	-79.6	-27.2	171.6	-71.1	167	0	0	0	111.3	Y16 I17 E18	Y16-I20 HydrophobicContact CD1-CD1 3.43Å; Y16-I20 VanDerWaalsContact CD1-CD1 3.43Å; Y16-I20 HydrophobicContact CD1-CG1 4.31Å; Y16-I20 HydrophobicContact CE1-CD1 3.43Å; Y16-I20 VanDerWaalsContact CE1-CD1 3.43Å; Y16-I20 HydrophobicContact CE1-CG1 4.33Å; Y16-I20 HydrophobicContact CG-CD1 4.41Å; Y16-I20 WeakPolarHBondContact O-CB 3.44Å; Y16-I20 WeakPolarHBondContact O-CD1 3.39Å; Y16-I20 WeakPolarHBondContact O-CG1 3.49Å; Y16-I20 PolarHBondContact O-N 2.76Å; I17-I20 CarbonylContact O-C 3.57Å; I17-I20 PolarHBondContact O-N 3.23Å; E18-I20 VanDerWaalsContact C-N 3.32Å; E18-I20 PolarHBondContact O-N 2.71Å
21	H	35.7	Very low	59.1	Low	143 Å²	143	78.1 Å²	78.1	66%	0.662	40%	0.404	S	S	*	.	H	α-helix	trans	-92.1	-10.3	-178.5	-78.2	51.7	0	0	0	113.7	I17 E18 D23	I17-H21 VanDerWaalsContact O-CB 3.31Å; I17-H21 WeakPolarHBondContact O-CB 3.13Å; I17-H21 PolarHBondContact O-N 2.89Å; I17-H21 PolarHBondContact O-ND1 2.7Å; E18-H21 CarbonylContact O-C 3.59Å; E18-H21 PolarHBondContact O-N 3.41Å; H21-D23 PolarHBondContact O-N 3.04Å
22	S	41.7	Very low	59.3	Low	61 Å²	61	72.9 Å²	72.9	43%	0.427	39%	0.387	S	S	.	.			trans	-73.5	72.4	153.3	66.1	0	0	0	0	107.7	E18 A19 D24	E18-S22 PolarHBondContact O-N 2.97Å; A19-S22 PolarHBondContact O-OG 3.41Å; S22-D24 PolarHBondContact O-N 2.83Å
23	D	49.5	Very low	59.7	Low	108 Å²	108	72 Å²	72	58%	0.578	39%	0.389	S	S	*	.			trans	-56.7	91.6	152.8	-82.7	-28.9	0	0	0	104.3	H21 E25	H21-D23 PolarHBondContact O-N 3.04Å; D23-E25 PolarHBondContact O-N 3.25Å
24	D	58.4	Low	60.4	Low	72 Å²	72	68.3 Å²	68.3	39%	0.385	37%	0.371	S	S	.	.			trans	-58.1	110.3	-178.1	-75.8	-44.3	0	0	0	107.2	S22 L26 K195	S22-D24 PolarHBondContact O-N 2.83Å; D24-L26 PolarHBondContact O-N 2.83Å; D24-L26 VanDerWaalsContact O-N 3.09Å; D24-K195 HydrophobicContact CB-CD 4.16Å; D24-K195 HydrophobicContact CB-CG 3.75Å; D24-K195 VanDerWaalsContact CG-NZ 3.26Å; D24-K195 WeakPolarHBondContact OD1-CE 3.29Å; D24-K195 IonicContact OD1-NZ 2.66Å; D24-K195 PolarHBondContact OD1-NZ 3.23Å; D24-K195 WeakPolarHBondContact OD2-CE 3.4Å; D24-K195 IonicContact OD2-NZ 3.92Å; D24-K195 PolarHBondContact OD2-NZ 3.06Å
25	E	66	Low	61.8	Low	116 Å²	116	68.2 Å²	68.2	54%	0.542	37%	0.369	S	S	.	.			trans	-58.6	117.3	-176.3	-69.8	179.4	169.4	0	0	109.1	D23 F27 K195	D23-E25 PolarHBondContact O-N 3.25Å; E25-F27 HydrophobicContact CB-CE2 3.77Å; E25-F27 HydrophobicContact CB-CZ 3.81Å; E25-F27 VanDerWaalsContact O-CD2 3.27Å; E25-F27 WeakPolarHBondContact O-CD2 3.26Å; E25-F27 WeakPolarHBondContact O-CE2 3Å; E25-K195 CarbonylContact O-C 3.53Å
26	L	70.9	Confident	63.7	Low	18 Å²	18	63.7 Å²	63.7	9%	0.094	35%	0.345	C	S	.	.			trans	-91.6	137.1	175.1	-71.8	172.8	0	0	0	109.2	D24 K90 E91 Y193 V194 K195 S474	D24-L26 PolarHBondContact O-N 2.83Å; D24-L26 VanDerWaalsContact O-N 3.09Å; L26-K90 HydrophobicContact CD2-CB 4.08Å; L26-K90 HydrophobicContact CD2-CG 4.19Å; L26-E91 HydrophobicContact CD1-CB 4.49Å; L26-E91 WeakPolarHBondContact CD1-OE2 3.17Å; L26-Y193 HydrophobicContact CB-CD1 4.13Å; L26-Y193 HydrophobicContact CB-CG 4.39Å; L26-V194 CarbonylContact C-O 3.57Å; L26-V194 WeakPolarHBondContact CA-O 3.14Å; L26-K195 HydrophobicContact CD2-CB 4.33Å; L26-S474 WeakPolarHBondContact O-CA 3.49Å; L26-S474 WeakPolarHBondContact O-CB 3.24Å; L26-S474 PolarHBondContact O-N 3.45Å; L26-S474 VanDerWaalsContact O-O 3.11Å; L26-S474 PolarHBondContact O-OG 3.23Å
27	F	71.7	Confident	65.6	Low	12 Å²	12	57 Å²	57	5%	0.053	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	125	-178.5	-59.2	-96.9	0	0	0	109.1	E25 Y193 V194 A197 E200 T472 E473	E25-F27 HydrophobicContact CB-CE2 3.77Å; E25-F27 HydrophobicContact CB-CZ 3.81Å; E25-F27 VanDerWaalsContact O-CD2 3.27Å; E25-F27 WeakPolarHBondContact O-CD2 3.26Å; E25-F27 WeakPolarHBondContact O-CE2 3Å; F27-Y193 CarbonylContact O-C 3.54Å; F27-Y193 VanDerWaalsContact O-CA 3.23Å; F27-Y193 WeakPolarHBondContact O-CA 3.29Å; F27-V194 HydrophobicContact CB-CG2 3.79Å; F27-V194 WeakPolarHBondContact CD2-O 3.28Å; F27-V194 PolarHBondContact N-O 3.08Å; F27-V194 PolarHBondContact O-N 3.16Å; F27-A197 HydrophobicContact CB-CB 4Å; F27-A197 HydrophobicContact CD1-CB 3.92Å; F27-A197 HydrophobicContact CD2-CB 4.05Å; F27-A197 HydrophobicContact CG-CB 3.71Å; F27-E200 VanDerWaalsContact CD1-CD 3.45Å; F27-E200 HydrophobicContact CD1-CG 4.16Å; F27-E200 WeakPolarHBondContact CD1-OE1 3.46Å; F27-E200 HydrophobicContact CE1-CG 4.08Å; F27-E200 WeakPolarHBondContact CE1-OE1 3.47Å; F27-E200 WeakPolarHBondContact CE1-OE2 3.46Å; F27-T472 CarbonylContact C-O 3.4Å; F27-T472 WeakPolarHBondContact CA-O 3.33Å; F27-E473 HydrophobicContact CD1-CB 3.65Å; F27-E473 HydrophobicContact CD1-CG 4.11Å; F27-E473 HydrophobicContact CE1-CB 3.6Å; F27-E473 HydrophobicContact CE1-CG 3.74Å; F27-E473 HydrophobicContact CZ-CG 4.47Å
28	A	75.9	Confident	67.8	Low	19 Å²	19	53.7 Å²	53.7	16%	0.157	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	126.6	175	0	0	0	0	0	109.5	Y193 T472	A28-Y193 HydrophobicContact CB-CD1 4.07Å; A28-Y193 HydrophobicContact CB-CE1 3.82Å; A28-T472 PolarHBondContact N-O 3.32Å; A28-T472 PolarHBondContact O-N 3.23Å; A28-T472 PolarHBondContact O-OG1 3.44Å
29	V	76.7	Confident	70.2	Confident	10 Å²	10	49 Å²	49	6%	0.061	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	138.5	175.7	-178.7	0	0	0	0	109.5	I31 L86 V192 V194	V29-I31 PolarHBondContact O-N 2.79Å; V29-I31 VanDerWaalsContact O-N 3.11Å; V29-L86 HydrophobicContact CB-CD1 4.3Å; V29-L86 HydrophobicContact CG1-CD1 3.81Å; V29-L86 HydrophobicContact CG1-CD2 3.61Å; V29-L86 HydrophobicContact CG1-CG 4.37Å; V29-L86 HydrophobicContact CG2-CD1 4.16Å; V29-L86 HydrophobicContact CG2-CD2 4.25Å; V29-V192 PolarHBondContact N-O 3.24Å; V29-V194 HydrophobicContact CG2-CG1 3.8Å; V29-V194 HydrophobicContact CG2-CG2 4.23Å
30	N	74.4	Confident	72.5	Confident	46 Å²	46	46.4 Å²	46.4	25%	0.246	26%	0.263	C	S	.	.			trans	-71.4	104.4	169.7	-175.5	-1.6	0	0	0	110	N32	N30-N32 WeakPolarHBondContact OD1-CB 3.38Å; N30-N32 PolarHBondContact OD1-N 2.95Å; N30-N32 PolarHBondContact OD1-OD1 2.82Å
31	I	76.5	Confident	74.8	Confident	7 Å²	7	44.3 Å²	44.3	4%	0.036	25%	0.253	C	S	.	.			trans	-89.5	-8.4	177.7	57.9	170.6	0	0	0	112.8	V29 A34 I51 F82 L189 V192	V29-I31 PolarHBondContact O-N 2.79Å; V29-I31 VanDerWaalsContact O-N 3.11Å; I31-A34 WeakPolarHBondContact O-CB 3.18Å; I31-A34 PolarHBondContact O-N 3.29Å; I31-A34 VanDerWaalsContact O-N 3.08Å; I31-I51 HydrophobicContact CD1-CG2 4.47Å; I31-F82 HydrophobicContact CG2-CD1 3.91Å; I31-F82 HydrophobicContact CG2-CE1 3.73Å; I31-L189 HydrophobicContact CD1-CB 4.25Å; I31-L189 HydrophobicContact CD1-CD2 3.5Å; I31-L189 HydrophobicContact CD1-CG 3.58Å; I31-V192 HydrophobicContact CG2-CB 4.27Å; I31-V192 HydrophobicContact CG2-CG2 4.01Å
32	N	76.2	Confident	77.3	Confident	48 Å²	48	38.8 Å²	38.8	26%	0.257	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	141.7	-175.1	-55.2	2	0	0	0	110.5	N30 A34 D53 K409	N30-N32 WeakPolarHBondContact OD1-CB 3.38Å; N30-N32 PolarHBondContact OD1-N 2.95Å; N30-N32 PolarHBondContact OD1-OD1 2.82Å; N32-A34 PolarHBondContact O-N 2.81Å; N32-A34 VanDerWaalsContact O-N 3.15Å; N32-D53 VanDerWaalsContact ND2-CB 3.26Å; N32-D53 WeakPolarHBondContact ND2-CB 3.41Å; N32-D53 PolarHBondContact ND2-OD2 2.8Å; N32-K409 VanDerWaalsContact O-CE 3.31Å; N32-K409 WeakPolarHBondContact O-CE 3.4Å; N32-K409 PolarHBondContact O-NZ 2.83Å
33	G	77.6	Confident	79.2	Confident	56 Å²	56	42.4 Å²	42.4	58%	0.577	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	14.3	-177.9	0	0	0	0	0	114.8	H406	G33-H406 PolarHBondContact O-CE1 3.23Å
34	A	86.8	Confident	80.6	Confident	7 Å²	7	39.9 Å²	39.9	6%	0.058	25%	0.25	C	S	.	.			trans	-55.5	155.7	165.4	0	0	0	0	0	111	I31 N32 I51 I80 D81	I31-A34 WeakPolarHBondContact O-CB 3.18Å; I31-A34 PolarHBondContact O-N 3.29Å; I31-A34 VanDerWaalsContact O-N 3.08Å; N32-A34 PolarHBondContact O-N 2.81Å; N32-A34 VanDerWaalsContact O-N 3.15Å; A34-I51 HydrophobicContact CB-CD1 3.64Å; A34-I51 WeakPolarHBondContact O-CD1 3.46Å; A34-I80 HydrophobicContact CB-CG2 3.78Å; A34-D81 WeakPolarHBondContact CA-O 3.31Å; A34-D81 VanDerWaalsContact CB-O 3.23Å; A34-D81 WeakPolarHBondContact CB-O 3.05Å
35	N	88.9	Confident	81.8	Confident	65 Å²	65	36.6 Å²	36.6	35%	0.348	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	133.9	173.5	-61.4	-40.1	0	0	0	109.2	Y37 I80 D81 H406	N35-Y37 HydrophobicContact CB-CE2 3.97Å; N35-I80 CarbonylContact O-C 3.26Å; N35-I80 WeakPolarHBondContact O-CA 3.21Å; N35-D81 HydrophobicContact CB-CB 4.1Å; N35-D81 PolarHBondContact N-O 2.87Å; N35-D81 PolarHBondContact O-N 2.78Å; N35-H406 PolarHBondContact ND2-NE2 3.2Å; N35-H406 VanDerWaalsContact ND2-NE2 3.11Å
36	T	90.7	Very high	82.7	Confident	12 Å²	12	34.2 Å²	34.2	7%	0.074	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	146	-179.7	52.9	0	0	0	0	111	S47 E48 I51 I79 I80	T36-S47 WeakPolarHBondContact CB-OG 3.34Å; T36-S47 VanDerWaalsContact OG1-C 3.26Å; T36-S47 WeakPolarHBondContact OG1-CB 3.25Å; T36-S47 PolarHBondContact OG1-OG 2.93Å; T36-E48 WeakPolarHBondContact OG1-CA 3.16Å; T36-E48 PolarHBondContact OG1-N 2.81Å; T36-E48 VanDerWaalsContact OG1-N 3.14Å; T36-I51 HydrophobicContact CG2-CD1 3.64Å; T36-I51 HydrophobicContact CG2-CG1 3.86Å; T36-I51 HydrophobicContact CG2-CG2 4.13Å; T36-I79 CarbonylContact C-O 3.43Å; T36-I79 WeakPolarHBondContact CA-O 3.45Å; T36-I80 HydrophobicContact CG2-CG1 4.31Å
37	Y	91.5	Very high	83.6	Confident	27 Å²	27	33.5 Å²	33.5	11%	0.106	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	137.7	176.4	-48.1	-93.2	0	0	0	107.8	N35 W77 L78 I79 D81 L130 R131 W176	N35-Y37 HydrophobicContact CB-CE2 3.97Å; Y37-W77 WeakPolarHBondContact O-CZ3 3.05Å; Y37-L78 CarbonylContact O-C 3.54Å; Y37-L78 WeakPolarHBondContact O-CA 3.36Å; Y37-I79 HydrophobicContact CD2-CG2 4.37Å; Y37-I79 PolarHBondContact N-O 3.05Å; Y37-I79 PolarHBondContact O-N 3.06Å; Y37-D81 HydrophobicContact CE2-CB 4.16Å; Y37-L130 HydrophobicContact CD1-CB 4.04Å; Y37-L130 HydrophobicContact CE1-CB 4.37Å; Y37-L130 HydrophobicContact CG-CB 4.34Å; Y37-R131 HydrophobicContact CE1-CG 4.21Å; Y37-R131 WeakPolarHBondContact OH-CG 3.45Å; Y37-W176 AromaticContact CD2-CZ3 3.92Å; Y37-W176 HydrophobicContact CD2-CZ3 3.92Å; Y37-W176 HydrophobicContact CE2-CE3 4.41Å; Y37-W176 HydrophobicContact CE2-CH2 4.11Å; Y37-W176 AromaticContact CE2-CZ3 3.45Å; Y37-W176 HydrophobicContact CE2-CZ3 3.45Å; Y37-W176 VanDerWaalsContact CE2-CZ3 3.45Å
38	S	91.7	Very high	84.2	Confident	14 Å²	14	37 Å²	37	10%	0.098	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	161.7	180	54.8	0	0	0	0	111.6	S40 N41 F63 W77	S38-S40 VanDerWaalsContact C-N 3.34Å; S38-S40 PolarHBondContact OG-O 2.84Å; S38-N41 WeakPolarHBondContact CB-OD1 3.15Å; S38-N41 PolarHBondContact OG-OD1 2.76Å; S38-F63 VanDerWaalsContact CB-CZ 3.47Å; S38-W77 VanDerWaalsContact C-CH2 3.47Å; S38-W77 WeakPolarHBondContact CA-O 3.23Å; S38-W77 WeakPolarHBondContact O-CH2 3.38Å
39	S	91.2	Very high	84.6	Confident	30 Å²	30	38.5 Å²	38.5	21%	0.21	24%	0.239	C	C	.	.	S	Bend	trans	-65.3	-40.5	168.5	55.7	0	0	0	0	111.7	W77	S39-W77 PolarHBondContact N-O 3.12Å; S39-W77 VanDerWaalsContact N-O 3.08Å; S39-W77 PolarHBondContact OG-N 2.94Å
40	S	90.3	Very high	84.9	Confident	10 Å²	10	38.2 Å²	38.2	7%	0.07	24%	0.237	C	C	.	.			trans	-163.9	162	-177.8	57.2	0	0	0	0	109.8	S38 D66 Q69	S38-S40 VanDerWaalsContact C-N 3.34Å; S38-S40 PolarHBondContact OG-O 2.84Å; S40-D66 PolarHBondContact OG-N 2.87Å; S40-D66 PolarHBondContact OG-O 3.16Å; S40-Q69 VanDerWaalsContact CB-O 3.32Å; S40-Q69 WeakPolarHBondContact CB-O 3.47Å; S40-Q69 PolarHBondContact OG-O 2.88Å
41	N	88.5	Confident	85.1	Confident	50 Å²	50	36.5 Å²	36.5	27%	0.267	23%	0.228	S	C	.	.			trans	-132.8	137.7	177.1	-62.6	-29	0	0	0	109.5	S38 L46 F63	S38-N41 WeakPolarHBondContact CB-OD1 3.15Å; S38-N41 PolarHBondContact OG-OD1 2.76Å; N41-L46 HydrophobicContact CB-CD2 4.31Å; N41-F63 VanDerWaalsContact OD1-CE2 3.3Å; N41-F63 WeakPolarHBondContact OD1-CE2 3.44Å
42	V	87.3	Confident	84.7	Confident	26 Å²	26	40.1 Å²	40.1	16%	0.158	25%	0.247	C	C	.	.			trans	-76.6	157.3	162.3	-61	0	0	0	0	110.7	G44 G45 Q64 D66	V42-G44 PolarHBondContact O-N 2.75Å; V42-G45 PolarHBondContact O-N 3.47Å; V42-Q64 HydrophobicContact CG1-CG 4.18Å; V42-Q64 HydrophobicContact CG2-CB 3.68Å; V42-Q64 HydrophobicContact CG2-CG 3.86Å; V42-Q64 PolarHBondContact N-O 2.84Å; V42-Q64 VanDerWaalsContact N-O 3.07Å; V42-D66 HydrophobicContact CG1-CB 4.18Å
43	P	81.8	Confident	83.8	Confident	137 Å²	137	43.8 Å²	43.8	89%	0.89	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	123.8	169.1	-24.2	34.5	0	0	0	110.9	G45	P43-G45 VanDerWaalsContact C-N 3.29Å; P43-G45 PolarHBondContact O-N 2.92Å
44	G	80.2	Confident	82.3	Confident	55 Å²	55	47.5 Å²	47.5	57%	0.567	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	2.1	-177.9	0	0	0	0	0	115.8	V42 Y49	V42-G44 PolarHBondContact O-N 2.75Å; G44-Y49 WeakPolarHBondContact O-CD2 3.36Å; G44-Y49 VanDerWaalsContact O-CE2 3.23Å; G44-Y49 WeakPolarHBondContact O-CE2 3.42Å
45	G	82.4	Confident	80.3	Confident	3 Å²	3	50.2 Å²	50.2	3%	0.031	29%	0.285	C	S	.	.			trans	-115	42.6	176.4	0	0	0	0	0	112.7	V42 P43 F63 Q64	V42-G45 PolarHBondContact O-N 3.47Å; P43-G45 VanDerWaalsContact C-N 3.29Å; P43-G45 PolarHBondContact O-N 2.92Å; G45-F63 VanDerWaalsContact O-CD2 3.32Å; G45-F63 WeakPolarHBondContact O-CD2 3.49Å; G45-Q64 PolarHBondContact O-N 2.81Å
46	L	86.3	Confident	77.9	Confident	67 Å²	67	55.9 Å²	55.9	35%	0.351	31%	0.311	S	S	.	.			trans	-59.4	151.3	-177.7	-66.8	-179.4	0	0	0	111.9	N41 E48 Y49	N41-L46 HydrophobicContact CB-CD2 4.31Å; L46-E48 WeakPolarHBondContact CB-OE2 3.39Å; L46-E48 PolarHBondContact O-N 3.48Å; L46-Y49 HydrophobicContact CB-CD1 4.48Å; L46-Y49 HydrophobicContact CB-CD2 3.89Å; L46-Y49 HydrophobicContact CB-CE1 4.37Å; L46-Y49 HydrophobicContact CB-CE2 3.77Å; L46-Y49 HydrophobicContact CB-CG 4.24Å; L46-Y49 HydrophobicContact CD1-CE1 4.46Å; L46-Y49 HydrophobicContact CD1-CE2 4.39Å; L46-Y49 HydrophobicContact CG-CE2 4.06Å; L46-Y49 VanDerWaalsContact N-CD2 3.34Å; L46-Y49 WeakPolarHBondContact O-CB 3.23Å; L46-Y49 PolarHBondContact O-N 3.09Å
47	S	88.3	Confident	75.5	Confident	3 Å²	3	61.1 Å²	61.1	2%	0.021	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-60.7	-33.9	-178.5	65.7	0	0	0	0	113	T36 Y49 S50 F63	T36-S47 WeakPolarHBondContact CB-OG 3.34Å; T36-S47 VanDerWaalsContact OG1-C 3.26Å; T36-S47 WeakPolarHBondContact OG1-CB 3.25Å; T36-S47 PolarHBondContact OG1-OG 2.93Å; S47-Y49 PolarHBondContact O-N 3.16Å; S47-S50 WeakPolarHBondContact O-CB 3.39Å; S47-S50 PolarHBondContact O-N 2.9Å; S47-S50 VanDerWaalsContact O-N 3.09Å; S47-S50 PolarHBondContact O-OG 2.87Å; S47-F63 VanDerWaalsContact CA-CD2 3.42Å
48	E	86	Confident	73.4	Confident	85 Å²	85	69.3 Å²	69.3	40%	0.397	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-63.9	-29.2	-177.7	-66.6	81.8	164	0	0	111.2	T36 L46 S50 I51	T36-E48 WeakPolarHBondContact OG1-CA 3.16Å; T36-E48 PolarHBondContact OG1-N 2.81Å; T36-E48 VanDerWaalsContact OG1-N 3.14Å; L46-E48 WeakPolarHBondContact CB-OE2 3.39Å; L46-E48 PolarHBondContact O-N 3.48Å; E48-S50 PolarHBondContact O-N 3.29Å; E48-I51 WeakPolarHBondContact O-CG1 3.42Å; E48-I51 PolarHBondContact O-N 3.38Å
49	Y	83.9	Confident	71.4	Confident	50 Å²	50	73.5 Å²	73.5	20%	0.196	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-67.2	-20.1	178.1	-57.7	-25.1	0	0	0	112.9	G44 L46 S47 I51 F55 T61	G44-Y49 WeakPolarHBondContact O-CD2 3.36Å; G44-Y49 VanDerWaalsContact O-CE2 3.23Å; G44-Y49 WeakPolarHBondContact O-CE2 3.42Å; L46-Y49 HydrophobicContact CB-CD1 4.48Å; L46-Y49 HydrophobicContact CB-CD2 3.89Å; L46-Y49 HydrophobicContact CB-CE1 4.37Å; L46-Y49 HydrophobicContact CB-CE2 3.77Å; L46-Y49 HydrophobicContact CB-CG 4.24Å; L46-Y49 HydrophobicContact CD1-CE1 4.46Å; L46-Y49 HydrophobicContact CD1-CE2 4.39Å; L46-Y49 HydrophobicContact CG-CE2 4.06Å; L46-Y49 VanDerWaalsContact N-CD2 3.34Å; L46-Y49 WeakPolarHBondContact O-CB 3.23Å; L46-Y49 PolarHBondContact O-N 3.09Å; S47-Y49 PolarHBondContact O-N 3.16Å; Y49-I51 PolarHBondContact O-N 2.86Å; Y49-F55 HydrophobicContact CE1-CD2 4.41Å; Y49-F55 AromaticContact CE1-CE2 3.95Å; Y49-F55 HydrophobicContact CE1-CE2 3.95Å; Y49-F55 HydrophobicContact CE1-CZ 4.19Å; Y49-T61 CarbonylContact C-O 3.53Å; Y49-T61 VanDerWaalsContact CB-O 3.3Å; Y49-T61 WeakPolarHBondContact CB-O 2.84Å; Y49-T61 HydrophobicContact CD2-CG2 4.2Å; Y49-T61 HydrophobicContact CE2-CG2 4.47Å
50	S	82.9	Confident	69.6	Low	4 Å²	4	75.6 Å²	75.6	3%	0.028	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-66.4	-19.4	177.3	64.3	0	0	0	0	114.7	S47 E48 L189	S47-S50 WeakPolarHBondContact O-CB 3.39Å; S47-S50 PolarHBondContact O-N 2.9Å; S47-S50 VanDerWaalsContact O-N 3.09Å; S47-S50 PolarHBondContact O-OG 2.87Å; E48-S50 PolarHBondContact O-N 3.29Å; S50-L189 VanDerWaalsContact O-CB 3.29Å; S50-L189 WeakPolarHBondContact O-CB 3.34Å; S50-L189 PolarHBondContact O-N 2.86Å
51	I	77.9	Confident	68.3	Low	10 Å²	10	76.6 Å²	76.6	5%	0.051	41%	0.413	C	S	.	.	S	Bend	trans	-125.5	-0.5	-170	56.6	160.2	0	0	0	113.7	I31 A34 T36 E48 Y49 I80 L189	I31-I51 HydrophobicContact CD1-CG2 4.47Å; A34-I51 HydrophobicContact CB-CD1 3.64Å; A34-I51 WeakPolarHBondContact O-CD1 3.46Å; T36-I51 HydrophobicContact CG2-CD1 3.64Å; T36-I51 HydrophobicContact CG2-CG1 3.86Å; T36-I51 HydrophobicContact CG2-CG2 4.13Å; E48-I51 WeakPolarHBondContact O-CG1 3.42Å; E48-I51 PolarHBondContact O-N 3.38Å; Y49-I51 PolarHBondContact O-N 2.86Å; I51-I80 HydrophobicContact CG2-CD1 3.95Å; I51-I80 HydrophobicContact CG2-CG1 4.49Å; I51-I80 HydrophobicContact CG2-CG2 4.05Å; I51-L189 HydrophobicContact CG2-CD2 4.23Å
52	D	68.6	Low	67.9	Low	83 Å²	83	74.6 Å²	74.6	44%	0.444	40%	0.403	S	S	.	.			trans	-85.9	136.7	-176.5	-160.2	-7.8	0	0	0	111	D54	D52-D54 PolarHBondContact OD1-N 2.83Å
53	D	56.7	Low	67.9	Low	125 Å²	125	73.4 Å²	73.4	67%	0.668	40%	0.395	S	S	*	.	S	Bend	trans	-93.4	-23.6	179.1	-151.7	15.8	0	0	0	110.2	N32	N32-D53 VanDerWaalsContact ND2-CB 3.26Å; N32-D53 WeakPolarHBondContact ND2-CB 3.41Å; N32-D53 PolarHBondContact ND2-OD2 2.8Å
54	D	46.9	Very low	68.3	Low	135 Å²	135	68.9 Å²	68.9	72%	0.722	36%	0.362	S	S	*	.			trans	-120.3	39.2	-164.2	-102.9	-12.5	0	0	0	112.6	D52 M56	D52-D54 PolarHBondContact OD1-N 2.83Å; D54-M56 PolarHBondContact O-N 2.8Å
55	F	43.6	Very low	68.8	Low	64 Å²	64	66.3 Å²	66.3	28%	0.281	34%	0.335	S	S	.	.			trans	-79.6	98.7	166.6	-151.8	-120.8	0	0	0	108.6	Y49 H57 T61	Y49-F55 HydrophobicContact CE1-CD2 4.41Å; Y49-F55 AromaticContact CE1-CE2 3.95Å; Y49-F55 HydrophobicContact CE1-CE2 3.95Å; Y49-F55 HydrophobicContact CE1-CZ 4.19Å; F55-H57 HydrophobicContact CD1-CB 3.48Å; F55-H57 VanDerWaalsContact CD1-CB 3.48Å; F55-H57 AromaticContact CD1-CD2 3.21Å; F55-H57 WeakPolarHBondContact CD1-CD2 3.28Å; F55-H57 AromaticContact CD1-CG 3.51Å; F55-H57 HydrophobicContact CE1-CB 3.64Å; F55-H57 AromaticContact CE1-CD2 2.79Å; F55-H57 WeakPolarHBondContact CE1-CD2 3.44Å; F55-H57 AromaticContact CE1-CG 3.18Å; F55-H57 AromaticContact CE1-ND1 3.98Å; F55-H57 AromaticContact CE1-NE2 3.45Å; F55-H57 WeakPolarHBondContact CE1-NE2 3.28Å; F55-H57 AromaticContact CE2-CD2 3.7Å; F55-H57 AromaticContact CE2-NE2 4Å; F55-H57 HydrophobicContact CG-CB 4.47Å; F55-H57 AromaticContact CG-CD2 3.82Å; F55-H57 AromaticContact CZ-CD2 3.07Å; F55-H57 WeakPolarHBondContact CZ-CD2 3.46Å; F55-H57 AromaticContact CZ-CG 3.89Å; F55-H57 AromaticContact CZ-NE2 3.27Å; F55-H57 VanDerWaalsContact CZ-NE2 3.27Å; F55-H57 WeakPolarHBondContact CZ-NE2 2.98Å; F55-H57 PolarHBondContact O-N 3.21Å; F55-T61 HydrophobicContact CD1-CG2 3.4Å; F55-T61 VanDerWaalsContact CD1-CG2 3.4Å; F55-T61 WeakPolarHBondContact CD1-OG1 3.38Å; F55-T61 HydrophobicContact CE1-CG2 3.31Å; F55-T61 HydrophobicContact CG-CG2 4.47Å; F55-T61 WeakPolarHBondContact CG-OG1 3.46Å; F55-T61 HydrophobicContact CZ-CG2 4.35Å
56	M	38.8	Very low	69.1	Low	183 Å²	183	67.9 Å²	67.9	90%	0.901	34%	0.343	S	S	*	.			trans	-57	23.4	172.6	-77.6	-85.5	-86.2	0	0	114.8	D54	D54-M56 PolarHBondContact O-N 2.8Å
57	H	40.9	Very low	69.3	Low	123 Å²	123	68 Å²	68	57%	0.569	35%	0.348	S	S	*	.	S	Bend	trans	-95.4	146	168.9	-71.7	-100.2	0	0	0	109.9	F55 Q59	F55-H57 HydrophobicContact CD1-CB 3.48Å; F55-H57 VanDerWaalsContact CD1-CB 3.48Å; F55-H57 AromaticContact CD1-CD2 3.21Å; F55-H57 WeakPolarHBondContact CD1-CD2 3.28Å; F55-H57 AromaticContact CD1-CG 3.51Å; F55-H57 HydrophobicContact CE1-CB 3.64Å; F55-H57 AromaticContact CE1-CD2 2.79Å; F55-H57 WeakPolarHBondContact CE1-CD2 3.44Å; F55-H57 AromaticContact CE1-CG 3.18Å; F55-H57 AromaticContact CE1-ND1 3.98Å; F55-H57 AromaticContact CE1-NE2 3.45Å; F55-H57 WeakPolarHBondContact CE1-NE2 3.28Å; F55-H57 AromaticContact CE2-CD2 3.7Å; F55-H57 AromaticContact CE2-NE2 4Å; F55-H57 HydrophobicContact CG-CB 4.47Å; F55-H57 AromaticContact CG-CD2 3.82Å; F55-H57 AromaticContact CZ-CD2 3.07Å; F55-H57 WeakPolarHBondContact CZ-CD2 3.46Å; F55-H57 AromaticContact CZ-CG 3.89Å; F55-H57 AromaticContact CZ-NE2 3.27Å; F55-H57 VanDerWaalsContact CZ-NE2 3.27Å; F55-H57 WeakPolarHBondContact CZ-NE2 2.98Å; F55-H57 PolarHBondContact O-N 3.21Å; H57-Q59 PolarHBondContact O-N 2.94Å
58	M	47	Very low	69.4	Low	199 Å²	199	71.9 Å²	71.9	98%	0.98	38%	0.38	S	S	*	.	S	Bend	trans	-63.3	10.6	-178.3	-66.4	-166.2	160.2	0	0	114.7
59	Q	50.4	Low	69.6	Low	102 Å²	102	73.3 Å²	73.3	48%	0.477	39%	0.387	S	S	.	.	S	Bend	trans	-146.4	134.3	-173.9	-61.6	-169.6	-11.7	0	0	109.1	H57 T61 F99	H57-Q59 PolarHBondContact O-N 2.94Å; Q59-T61 PolarHBondContact O-N 3.01Å; Q59-F99 HydrophobicContact CB-CD2 4.1Å; Q59-F99 HydrophobicContact CB-CE2 3.46Å; Q59-F99 VanDerWaalsContact CB-CE2 3.46Å; Q59-F99 HydrophobicContact CB-CZ 4.18Å; Q59-F99 VanDerWaalsContact CD-CE2 3.44Å; Q59-F99 HydrophobicContact CG-CD2 4.07Å; Q59-F99 HydrophobicContact CG-CE1 4.47Å; Q59-F99 HydrophobicContact CG-CE2 3.33Å; Q59-F99 HydrophobicContact CG-CZ 3.58Å
60	P	52.5	Low	69.9	Low	73 Å²	73	73.4 Å²	73.4	47%	0.474	39%	0.394	S	S	.	.			trans	-60.3	110.2	170.4	25.2	-33.2	0	0	0	108.3	C62 P98	P60-C62 PolarHBondContact O-N 2.99Å; P60-C62 VanDerWaalsContact O-N 3.08Å; P60-P98 HydrophobicContact CG-CG 3.71Å
61	T	63.5	Low	70.2	Confident	32 Å²	32	73.6 Å²	73.6	20%	0.196	40%	0.395	C	S	.	.			trans	-69.4	104.6	170	35.3	0	0	0	0	107.3	Y49 F55 Q59	Y49-T61 CarbonylContact C-O 3.53Å; Y49-T61 VanDerWaalsContact CB-O 3.3Å; Y49-T61 WeakPolarHBondContact CB-O 2.84Å; Y49-T61 HydrophobicContact CD2-CG2 4.2Å; Y49-T61 HydrophobicContact CE2-CG2 4.47Å; F55-T61 HydrophobicContact CD1-CG2 3.4Å; F55-T61 VanDerWaalsContact CD1-CG2 3.4Å; F55-T61 WeakPolarHBondContact CD1-OG1 3.38Å; F55-T61 HydrophobicContact CE1-CG2 3.31Å; F55-T61 HydrophobicContact CG-CG2 4.47Å; F55-T61 WeakPolarHBondContact CG-OG1 3.46Å; F55-T61 HydrophobicContact CZ-CG2 4.35Å; Q59-T61 PolarHBondContact O-N 3.01Å
62	C	80.4	Confident	70.6	Confident	8 Å²	8	78.6 Å²	78.6	5%	0.054	42%	0.421	C	S	.	.			trans	-83.7	153.9	168.4	-63.6	0	0	0	0	109.6	P60 N97 I187 C188	P60-C62 PolarHBondContact O-N 2.99Å; P60-C62 VanDerWaalsContact O-N 3.08Å; C62-N97 HydrophobicContact CB-CB 4.01Å; C62-N97 WeakPolarHBondContact SG-CA 3.39Å; C62-I187 WeakPolarHBondContact CB-O 3.16Å; C62-C188 WeakPolarHBondContact CA-SG 3.41Å; C62-C188 HydrophobicContact CB-CB 4.21Å; C62-C188 WeakPolarHBondContact CB-SG 3.11Å; C62-C188 WeakPolarHBondContact SG-CB 3.35Å; C62-C188 CovalentContact SG-SG 2.04Å; C62-C188 PolarHBondContact SG-SG 3.01Å
63	F	88	Confident	71.5	Confident	0 Å²	0	78.2 Å²	78.2	0%	0	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	139.7	167.5	161.7	-111.7	0	0	0	109.7	S38 N41 G45 S47 T65 L78 L185 E186 I187	S38-F63 VanDerWaalsContact CB-CZ 3.47Å; N41-F63 VanDerWaalsContact OD1-CE2 3.3Å; N41-F63 WeakPolarHBondContact OD1-CE2 3.44Å; G45-F63 VanDerWaalsContact O-CD2 3.32Å; G45-F63 WeakPolarHBondContact O-CD2 3.49Å; S47-F63 VanDerWaalsContact CA-CD2 3.42Å; F63-T65 HydrophobicContact CE1-CG2 3.62Å; F63-T65 HydrophobicContact CE2-CG2 4.14Å; F63-T65 HydrophobicContact CZ-CG2 3.24Å; F63-L78 HydrophobicContact CD1-CB 4.07Å; F63-L78 HydrophobicContact CD1-CD1 4.07Å; F63-L78 HydrophobicContact CD1-CD2 3.89Å; F63-L78 HydrophobicContact CD1-CG 4.23Å; F63-L78 HydrophobicContact CD2-CD1 4.46Å; F63-L78 HydrophobicContact CE1-CB 3.67Å; F63-L78 HydrophobicContact CE1-CD1 4.05Å; F63-L78 HydrophobicContact CE1-CD2 4.35Å; F63-L78 HydrophobicContact CE1-CG 4.23Å; F63-L78 HydrophobicContact CE2-CD1 4.44Å; F63-L78 HydrophobicContact CG-CD1 4.23Å; F63-L78 HydrophobicContact CG-CD2 4.4Å; F63-L78 HydrophobicContact CZ-CB 4.29Å; F63-L78 HydrophobicContact CZ-CD1 4.18Å; F63-L185 HydrophobicContact CE1-CB 4.29Å; F63-L185 HydrophobicContact CE1-CD2 4.06Å; F63-L185 HydrophobicContact CE1-CG 4.35Å; F63-E186 CarbonylContact O-C 3.51Å; F63-E186 VanDerWaalsContact O-CA 3.24Å; F63-E186 WeakPolarHBondContact O-CA 3.05Å; F63-I187 HydrophobicContact CD1-CD1 4.37Å; F63-I187 HydrophobicContact CD1-CG1 3.88Å; F63-I187 PolarHBondContact N-O 3.33Å; F63-I187 PolarHBondContact O-N 3.46Å
64	Q	89.1	Confident	73.2	Confident	43 Å²	43	73.9 Å²	73.9	20%	0.201	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	127	171	-179	178.2	10.4	0	0	110.9	V42 G45 E184 L185 E186	V42-Q64 HydrophobicContact CG1-CG 4.18Å; V42-Q64 HydrophobicContact CG2-CB 3.68Å; V42-Q64 HydrophobicContact CG2-CG 3.86Å; V42-Q64 PolarHBondContact N-O 2.84Å; V42-Q64 VanDerWaalsContact N-O 3.07Å; G45-Q64 PolarHBondContact O-N 2.81Å; Q64-E184 PolarHBondContact NE2-OE2 3.3Å; Q64-L185 WeakPolarHBondContact CA-O 3.5Å; Q64-E186 HydrophobicContact CB-CB 4.47Å; Q64-E186 HydrophobicContact CB-CG 4.28Å; Q64-E186 HydrophobicContact CG-CB 4.32Å; Q64-E186 HydrophobicContact CG-CG 4.42Å
65	T	90.7	Very high	75.4	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	38%	0.381	C	S	.	.			trans	-75.1	149	171.6	54.3	0	0	0	0	111.9	F63 P67 H76 E184 L185	F63-T65 HydrophobicContact CE1-CG2 3.62Å; F63-T65 HydrophobicContact CE2-CG2 4.14Å; F63-T65 HydrophobicContact CZ-CG2 3.24Å; T65-P67 VanDerWaalsContact O-CD 3.26Å; T65-P67 WeakPolarHBondContact O-CD 3.48Å; T65-H76 HydrophobicContact CG2-CB 3.97Å; T65-H76 PolarHBondContact OG1-ND1 3.42Å; T65-E184 WeakPolarHBondContact OG1-CA 3.49Å; T65-L185 HydrophobicContact CG2-CB 4Å; T65-L185 PolarHBondContact N-O 3.49Å; T65-L185 PolarHBondContact OG1-N 3.39Å; T65-L185 PolarHBondContact OG1-O 3.34Å
66	D	89.9	Confident	77.8	Confident	36 Å²	36	67.7 Å²	67.7	19%	0.193	37%	0.369	C	S	.	.			trans	-67.9	116.6	167.1	-179.7	-5.2	0	0	0	109.7	S40 V42 A68 Q69 H76	S40-D66 PolarHBondContact OG-N 2.87Å; S40-D66 PolarHBondContact OG-O 3.16Å; V42-D66 HydrophobicContact CG1-CB 4.18Å; D66-A68 PolarHBondContact O-N 3.1Å; D66-A68 WeakPolarHBondContact OD1-CB 3.47Å; D66-A68 PolarHBondContact OD1-N 2.75Å; D66-Q69 HydrophobicContact CB-CB 4.19Å; D66-Q69 HydrophobicContact CB-CG 4.43Å; D66-Q69 PolarHBondContact O-N 2.78Å; D66-Q69 VanDerWaalsContact O-N 3.08Å; D66-Q69 VanDerWaalsContact OD2-CD 3.28Å; D66-Q69 WeakPolarHBondContact OD2-CG 3.37Å; D66-Q69 PolarHBondContact OD2-NE2 3.26Å; D66-H76 PolarHBondContact O-CE1 2.89Å; D66-H76 PolarHBondContact O-ND1 2.9Å
67	P	88.7	Confident	80.4	Confident	71 Å²	71	59 Å²	59	46%	0.461	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-24.9	179.2	-20.1	31.8	0	0	0	113.6	T65 Q69 E184	T65-P67 VanDerWaalsContact O-CD 3.26Å; T65-P67 WeakPolarHBondContact O-CD 3.48Å; P67-Q69 VanDerWaalsContact C-N 3.31Å; P67-E184 HydrophobicContact CB-CB 4.2Å; P67-E184 HydrophobicContact CG-CB 3.92Å; P67-E184 HydrophobicContact CG-CG 4.48Å; P67-E184 WeakPolarHBondContact CG-OE2 3.1Å
68	A	90.5	Very high	82.9	Confident	84 Å²	84	53.1 Å²	53.1	69%	0.694	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-10	179.6	0	0	0	0	0	113.2	D66 P70	D66-A68 PolarHBondContact O-N 3.1Å; D66-A68 WeakPolarHBondContact OD1-CB 3.47Å; D66-A68 PolarHBondContact OD1-N 2.75Å; A68-P70 VanDerWaalsContact C-CD 3.46Å; A68-P70 WeakPolarHBondContact O-CD 2.99Å
69	Q	90.3	Very high	85.2	Confident	115 Å²	115	43.6 Å²	43.6	54%	0.537	25%	0.252	S	S	.	.			trans	-126.7	71.2	-174.3	-61.8	-178	36.5	0	0	111.8	S40 D66 P67	S40-Q69 VanDerWaalsContact CB-O 3.32Å; S40-Q69 WeakPolarHBondContact CB-O 3.47Å; S40-Q69 PolarHBondContact OG-O 2.88Å; D66-Q69 HydrophobicContact CB-CB 4.19Å; D66-Q69 HydrophobicContact CB-CG 4.43Å; D66-Q69 PolarHBondContact O-N 2.78Å; D66-Q69 VanDerWaalsContact O-N 3.08Å; D66-Q69 VanDerWaalsContact OD2-CD 3.28Å; D66-Q69 WeakPolarHBondContact OD2-CG 3.37Å; D66-Q69 PolarHBondContact OD2-NE2 3.26Å; P67-Q69 VanDerWaalsContact C-N 3.31Å
70	P	90.3	Very high	87.2	Confident	52 Å²	52	38.8 Å²	38.8	34%	0.338	23%	0.23	S	C	.	.			trans	-70.6	167.9	165.8	31.7	-34.8	0	0	0	111.4	A68	A68-P70 VanDerWaalsContact C-CD 3.46Å; A68-P70 WeakPolarHBondContact O-CD 2.99Å
71	D	89	Confident	89.1	Confident	8 Å²	8	35.3 Å²	35.3	4%	0.043	21%	0.207	C	C	.	.			trans	-67.3	175.6	169	82.9	-0.1	0	0	0	112.5	N73 G74 Y75 W77	D71-N73 PolarHBondContact O-N 2.84Å; D71-N73 WeakPolarHBondContact OD1-CA 3.4Å; D71-N73 WeakPolarHBondContact OD1-CB 3.41Å; D71-N73 PolarHBondContact OD1-N 3.28Å; D71-G74 PolarHBondContact O-N 2.92Å; D71-G74 PolarHBondContact OD1-N 3.38Å; D71-Y75 WeakPolarHBondContact CB-O 3.33Å; D71-Y75 PolarHBondContact N-O 2.9Å; D71-Y75 PolarHBondContact OD1-N 3.26Å; D71-W77 PolarHBondContact OD2-NE1 3.07Å
72	L	86.5	Confident	90.4	Very high	115 Å²	115	33.9 Å²	33.9	60%	0.602	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-18.5	-179.5	-65.3	-179.1	0	0	0	114.4	S138 Q140	L72-S138 WeakPolarHBondContact CG-OG 3.18Å; L72-Q140 HydrophobicContact CD1-CB 4.32Å
73	N	89	Confident	90.8	Very high	74 Å²	74	33.5 Å²	33.5	40%	0.396	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	2.9	177.9	-62.7	-38.5	0	0	0	112.3	D71 Y75	D71-N73 PolarHBondContact O-N 2.84Å; D71-N73 WeakPolarHBondContact OD1-CA 3.4Å; D71-N73 WeakPolarHBondContact OD1-CB 3.41Å; D71-N73 PolarHBondContact OD1-N 3.28Å; N73-Y75 HydrophobicContact CB-CD2 3.72Å; N73-Y75 HydrophobicContact CB-CE2 4.06Å
74	G	90.9	Very high	90.7	Very high	35 Å²	35	33.8 Å²	33.8	36%	0.361	20%	0.197	S	C	.	.	S	Bend	trans	83.6	17.4	-178.5	0	0	0	0	0	114.4	D71	D71-G74 PolarHBondContact O-N 2.92Å; D71-G74 PolarHBondContact OD1-N 3.38Å
75	Y	93.6	Very high	90.6	Very high	62 Å²	62	33.8 Å²	33.8	24%	0.243	20%	0.197	C	C	.	.			trans	-104.9	144.2	-180	-66.7	-71.1	0	0	0	112.9	D71 N73 R180 R181 T182	D71-Y75 WeakPolarHBondContact CB-O 3.33Å; D71-Y75 PolarHBondContact N-O 2.9Å; D71-Y75 PolarHBondContact OD1-N 3.26Å; N73-Y75 HydrophobicContact CB-CD2 3.72Å; N73-Y75 HydrophobicContact CB-CE2 4.06Å; Y75-R180 HydrophobicContact CD1-CG 3.67Å; Y75-R180 HydrophobicContact CE1-CG 4.46Å; Y75-R180 HydrophobicContact CG-CG 3.76Å; Y75-R181 WeakPolarHBondContact CA-O 3.25Å; Y75-T182 HydrophobicContact CD1-CG2 3.84Å; Y75-T182 HydrophobicContact CE1-CG2 3.54Å
76	H	93.5	Very high	90.4	Very high	6 Å²	6	34 Å²	34	3%	0.028	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	131.2	163.7	-64.3	-85.1	0	0	0	108.5	T65 D66 R180 R181 D183 L185	T65-H76 HydrophobicContact CG2-CB 3.97Å; T65-H76 PolarHBondContact OG1-ND1 3.42Å; D66-H76 PolarHBondContact O-CE1 2.89Å; D66-H76 PolarHBondContact O-ND1 2.9Å; H76-R180 CarbonylContact O-C 3.55Å; H76-R180 WeakPolarHBondContact O-CA 3.46Å; H76-R181 PolarHBondContact N-O 3.12Å; H76-R181 PolarHBondContact O-N 3.25Å; H76-D183 WeakPolarHBondContact CB-O 3.02Å; H76-D183 PolarHBondContact CD2-O 3.24Å; H76-L185 HydrophobicContact CB-CB 4.21Å
77	W	94.2	Very high	90.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	155.1	-176.7	54.9	-101.7	0	0	0	113.9	Y37 S38 S39 D71 I79 L130 K139 I141 W143 L179 R180	Y37-W77 WeakPolarHBondContact O-CZ3 3.05Å; S38-W77 VanDerWaalsContact C-CH2 3.47Å; S38-W77 WeakPolarHBondContact CA-O 3.23Å; S38-W77 WeakPolarHBondContact O-CH2 3.38Å; S39-W77 PolarHBondContact N-O 3.12Å; S39-W77 VanDerWaalsContact N-O 3.08Å; S39-W77 PolarHBondContact OG-N 2.94Å; D71-W77 PolarHBondContact OD2-NE1 3.07Å; W77-I79 HydrophobicContact CE3-CB 4.45Å; W77-I79 HydrophobicContact CE3-CD1 3.83Å; W77-I79 HydrophobicContact CE3-CG1 3.75Å; W77-I79 HydrophobicContact CH2-CD1 4.48Å; W77-I79 HydrophobicContact CZ3-CB 4.39Å; W77-I79 HydrophobicContact CZ3-CD1 3.8Å; W77-I79 HydrophobicContact CZ3-CG1 4Å; W77-L130 HydrophobicContact CH2-CD2 4.12Å; W77-K139 HydrophobicContact CH2-CB 4.24Å; W77-K139 HydrophobicContact CH2-CD 3.82Å; W77-K139 HydrophobicContact CZ2-CB 3.7Å; W77-K139 HydrophobicContact CZ2-CD 4.14Å; W77-I141 HydrophobicContact CD2-CG1 4.3Å; W77-I141 HydrophobicContact CH2-CD1 4.39Å; W77-I141 HydrophobicContact CZ2-CD1 4.12Å; W77-I141 HydrophobicContact CZ2-CG1 3.93Å; W77-W143 HydrophobicContact CB-CH2 3.91Å; W77-W143 HydrophobicContact CB-CZ2 3.87Å; W77-W143 AromaticContact CD1-CZ2 3.81Å; W77-W143 HydrophobicContact CG-CH2 4.2Å; W77-W143 AromaticContact CG-CZ2 3.83Å; W77-W143 HydrophobicContact CG-CZ2 3.83Å; W77-L179 CarbonylContact C-O 3.56Å; W77-L179 WeakPolarHBondContact CA-O 3.38Å; W77-L179 VanDerWaalsContact CB-O 3.23Å; W77-L179 WeakPolarHBondContact CB-O 3.31Å; W77-R180 HydrophobicContact CB-CB 4.25Å; W77-R180 HydrophobicContact CB-CG 4.24Å
78	L	94	Very high	90.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	130.2	171.5	179.4	68.9	0	0	0	108.5	Y37 F63 I80 A178 L179 L185 I187	Y37-L78 CarbonylContact O-C 3.54Å; Y37-L78 WeakPolarHBondContact O-CA 3.36Å; F63-L78 HydrophobicContact CD1-CB 4.07Å; F63-L78 HydrophobicContact CD1-CD1 4.07Å; F63-L78 HydrophobicContact CD1-CD2 3.89Å; F63-L78 HydrophobicContact CD1-CG 4.23Å; F63-L78 HydrophobicContact CD2-CD1 4.46Å; F63-L78 HydrophobicContact CE1-CB 3.67Å; F63-L78 HydrophobicContact CE1-CD1 4.05Å; F63-L78 HydrophobicContact CE1-CD2 4.35Å; F63-L78 HydrophobicContact CE1-CG 4.23Å; F63-L78 HydrophobicContact CE2-CD1 4.44Å; F63-L78 HydrophobicContact CG-CD1 4.23Å; F63-L78 HydrophobicContact CG-CD2 4.4Å; F63-L78 HydrophobicContact CZ-CB 4.29Å; F63-L78 HydrophobicContact CZ-CD1 4.18Å; L78-I80 HydrophobicContact CD2-CD1 3.97Å; L78-I80 HydrophobicContact CD2-CG1 4.17Å; L78-I80 HydrophobicContact CG-CD1 4.41Å; L78-I80 HydrophobicContact CG-CG1 4.08Å; L78-A178 CarbonylContact O-C 3.56Å; L78-A178 WeakPolarHBondContact O-CA 3.34Å; L78-L179 HydrophobicContact CD2-CD1 4.49Å; L78-L179 PolarHBondContact N-O 2.75Å; L78-L179 PolarHBondContact O-N 3.16Å; L78-L185 HydrophobicContact CB-CD2 3.93Å; L78-I187 HydrophobicContact CB-CD1 4.34Å; L78-I187 HydrophobicContact CD2-CD1 3.6Å; L78-I187 HydrophobicContact CD2-CG1 4.25Å
79	I	94.3	Very high	90.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	132	174.8	-64.6	173.6	0	0	0	108	T36 Y37 W77 L130 I141 W176 L177 A178	T36-I79 CarbonylContact C-O 3.43Å; T36-I79 WeakPolarHBondContact CA-O 3.45Å; Y37-I79 HydrophobicContact CD2-CG2 4.37Å; Y37-I79 PolarHBondContact N-O 3.05Å; Y37-I79 PolarHBondContact O-N 3.06Å; W77-I79 HydrophobicContact CE3-CB 4.45Å; W77-I79 HydrophobicContact CE3-CD1 3.83Å; W77-I79 HydrophobicContact CE3-CG1 3.75Å; W77-I79 HydrophobicContact CH2-CD1 4.48Å; W77-I79 HydrophobicContact CZ3-CB 4.39Å; W77-I79 HydrophobicContact CZ3-CD1 3.8Å; W77-I79 HydrophobicContact CZ3-CG1 4Å; I79-L130 HydrophobicContact CD1-CD1 3.77Å; I79-I141 HydrophobicContact CD1-CD1 3.84Å; I79-I141 HydrophobicContact CD1-CG1 4.28Å; I79-W176 HydrophobicContact CG2-CE3 3.64Å; I79-W176 HydrophobicContact CG2-CZ3 4.12Å; I79-L177 CarbonylContact C-O 3.49Å; I79-L177 WeakPolarHBondContact CA-O 3.36Å; I79-A178 HydrophobicContact CG1-CB 3.82Å
80	I	93.3	Very high	90	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	117.5	-175.9	-54.2	174.5	0	0	0	107.8	A34 N35 T36 I51 L78 F82 W176 L177 L189	A34-I80 HydrophobicContact CB-CG2 3.78Å; N35-I80 CarbonylContact O-C 3.26Å; N35-I80 WeakPolarHBondContact O-CA 3.21Å; T36-I80 HydrophobicContact CG2-CG1 4.31Å; I51-I80 HydrophobicContact CG2-CD1 3.95Å; I51-I80 HydrophobicContact CG2-CG1 4.49Å; I51-I80 HydrophobicContact CG2-CG2 4.05Å; L78-I80 HydrophobicContact CD2-CD1 3.97Å; L78-I80 HydrophobicContact CD2-CG1 4.17Å; L78-I80 HydrophobicContact CG-CD1 4.41Å; L78-I80 HydrophobicContact CG-CG1 4.08Å; I80-F82 HydrophobicContact CG2-CD1 4.09Å; I80-F82 HydrophobicContact CG2-CE1 4.03Å; I80-W176 CarbonylContact O-C 3.5Å; I80-W176 WeakPolarHBondContact O-CA 3.29Å; I80-W176 WeakPolarHBondContact O-CB 3.43Å; I80-L177 HydrophobicContact CB-CB 4.42Å; I80-L177 HydrophobicContact CD1-CD2 4.27Å; I80-L177 PolarHBondContact N-O 2.95Å; I80-L177 PolarHBondContact O-N 3.39Å; I80-L189 HydrophobicContact CD1-CB 4.48Å; I80-L189 HydrophobicContact CD1-CD2 3.52Å
81	D	91.9	Very high	89.9	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	107.7	167.7	-172.2	-11.4	0	0	0	107.9	A34 N35 Y37 G83 R131 K175 W176	A34-D81 WeakPolarHBondContact CA-O 3.31Å; A34-D81 VanDerWaalsContact CB-O 3.23Å; A34-D81 WeakPolarHBondContact CB-O 3.05Å; N35-D81 HydrophobicContact CB-CB 4.1Å; N35-D81 PolarHBondContact N-O 2.87Å; N35-D81 PolarHBondContact O-N 2.78Å; Y37-D81 HydrophobicContact CE2-CB 4.16Å; D81-G83 PolarHBondContact O-N 2.9Å; D81-G83 WeakPolarHBondContact OD1-CA 3.25Å; D81-G83 PolarHBondContact OD1-N 2.85Å; D81-R131 IonicContact OD2-CZ 3.23Å; D81-R131 IonicContact OD2-NE 3.3Å; D81-R131 IonicContact OD2-NH2 3.07Å; D81-R131 PolarHBondContact OD2-NH2 2.75Å; D81-K175 WeakPolarHBondContact OD1-CE 3.11Å; D81-W176 HydrophobicContact CB-CD2 3.88Å; D81-W176 HydrophobicContact CB-CE3 3.45Å; D81-W176 VanDerWaalsContact CB-CE3 3.45Å; D81-W176 HydrophobicContact CB-CH2 3.86Å; D81-W176 HydrophobicContact CB-CZ2 4.23Å; D81-W176 HydrophobicContact CB-CZ3 3.48Å; D81-W176 VanDerWaalsContact CB-CZ3 3.48Å; D81-W176 WeakPolarHBondContact OD2-CH2 3.02Å; D81-W176 WeakPolarHBondContact OD2-CZ2 3.23Å
82	F	89.8	Confident	90	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.009	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	-15.7	178.1	-62.6	-53.9	0	0	0	112.7	I31 I80 I84 L86 I89 K175 L177 V192 K409	I31-F82 HydrophobicContact CG2-CD1 3.91Å; I31-F82 HydrophobicContact CG2-CE1 3.73Å; I80-F82 HydrophobicContact CG2-CD1 4.09Å; I80-F82 HydrophobicContact CG2-CE1 4.03Å; F82-I84 PolarHBondContact O-N 3.36Å; F82-L86 HydrophobicContact CB-CD1 4.19Å; F82-L86 HydrophobicContact CB-CG 4.45Å; F82-L86 HydrophobicContact CD1-CD1 4.32Å; F82-L86 HydrophobicContact CD2-CD1 3.35Å; F82-L86 HydrophobicContact CD2-CG 4.04Å; F82-L86 HydrophobicContact CE2-CD1 3.69Å; F82-L86 HydrophobicContact CG-CD1 3.7Å; F82-L86 HydrophobicContact CG-CG 4.42Å; F82-L86 HydrophobicContact CZ-CD1 4.3Å; F82-I89 HydrophobicContact CE2-CD1 4.29Å; F82-K175 WeakPolarHBondContact CB-O 3.13Å; F82-K175 WeakPolarHBondContact CD2-O 3.36Å; F82-K175 PolarHBondContact N-O 2.83Å; F82-L177 HydrophobicContact CE1-CB 4.32Å; F82-L177 HydrophobicContact CE2-CB 3.84Å; F82-L177 HydrophobicContact CZ-CB 3.45Å; F82-L177 VanDerWaalsContact CZ-CB 3.45Å; F82-L177 HydrophobicContact CZ-CD2 4.02Å; F82-L177 HydrophobicContact CZ-CG 4.38Å; F82-V192 HydrophobicContact CE1-CG2 3.98Å; F82-V192 HydrophobicContact CZ-CG1 4.32Å; F82-V192 HydrophobicContact CZ-CG2 3.84Å; F82-K409 WeakPolarHBondContact O-CD 3.23Å; F82-K409 PolarHBondContact O-NZ 3.25Å
83	G	88.7	Confident	90	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84.3	-12.9	-176.6	0	0	0	0	0	113.3	D81 S405 H406	D81-G83 PolarHBondContact O-N 2.9Å; D81-G83 WeakPolarHBondContact OD1-CA 3.25Å; D81-G83 PolarHBondContact OD1-N 2.85Å; G83-S405 WeakPolarHBondContact CA-OG 3.17Å; G83-S405 PolarHBondContact O-N 2.89Å; G83-S405 PolarHBondContact O-OG 2.94Å; G83-H406 PolarHBondContact O-N 2.88Å
84	I	86.9	Confident	89.9	Confident	6 Å²	6	18.4 Å²	18.4	3%	0.031	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	149	179.9	52.6	163.3	0	0	0	110.1	F82 L86 I403 V404 K409 P469	F82-I84 PolarHBondContact O-N 3.36Å; I84-L86 HydrophobicContact CD1-CD2 3.67Å; I84-L86 HydrophobicContact CG1-CD2 3.89Å; I84-L86 PolarHBondContact O-N 2.97Å; I84-I403 CarbonylContact C-O 3.56Å; I84-I403 WeakPolarHBondContact CA-O 3.18Å; I84-V404 HydrophobicContact CG2-CG1 4.18Å; I84-V404 HydrophobicContact CG2-CG2 4.39Å; I84-K409 HydrophobicContact CD1-CB 4.24Å; I84-K409 HydrophobicContact CG1-CD 4.41Å; I84-K409 HydrophobicContact CG2-CB 3.89Å; I84-P469 HydrophobicContact CD1-CB 3.57Å
85	H	86.8	Confident	89.5	Confident	43 Å²	43	17.7 Å²	17.7	20%	0.199	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	118.2	171.9	-172.3	-144.6	0	0	0	110.3	D173 I403	H85-D173 WeakPolarHBondContact NE2-CB 3.33Å; H85-I403 HydrophobicContact CB-CG2 3.71Å; H85-I403 PolarHBondContact N-O 3.09Å
86	L	86.2	Confident	88.9	Confident	4 Å²	4	14.8 Å²	14.8	2%	0.021	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	135.5	175.9	-54.9	177.6	0	0	0	109.2	V29 F82 I84 I89 D173 A174	V29-L86 HydrophobicContact CB-CD1 4.3Å; V29-L86 HydrophobicContact CG1-CD1 3.81Å; V29-L86 HydrophobicContact CG1-CD2 3.61Å; V29-L86 HydrophobicContact CG1-CG 4.37Å; V29-L86 HydrophobicContact CG2-CD1 4.16Å; V29-L86 HydrophobicContact CG2-CD2 4.25Å; F82-L86 HydrophobicContact CB-CD1 4.19Å; F82-L86 HydrophobicContact CB-CG 4.45Å; F82-L86 HydrophobicContact CD1-CD1 4.32Å; F82-L86 HydrophobicContact CD2-CD1 3.35Å; F82-L86 HydrophobicContact CD2-CG 4.04Å; F82-L86 HydrophobicContact CE2-CD1 3.69Å; F82-L86 HydrophobicContact CG-CD1 3.7Å; F82-L86 HydrophobicContact CG-CG 4.42Å; F82-L86 HydrophobicContact CZ-CD1 4.3Å; I84-L86 HydrophobicContact CD1-CD2 3.67Å; I84-L86 HydrophobicContact CG1-CD2 3.89Å; I84-L86 PolarHBondContact O-N 2.97Å; L86-I89 HydrophobicContact CB-CD1 4.01Å; L86-I89 HydrophobicContact CB-CG1 4.01Å; L86-I89 HydrophobicContact CD1-CD1 4.27Å; L86-D173 CarbonylContact O-C 2.94Å; L86-D173 VanDerWaalsContact O-CA 3.3Å; L86-D173 WeakPolarHBondContact O-CA 3.07Å; L86-A174 WeakPolarHBondContact CB-O 3.44Å; L86-A174 PolarHBondContact N-O 2.75Å; L86-A174 PolarHBondContact O-N 3.12Å
87	Q	85	Confident	88.2	Confident	86 Å²	86	16 Å²	16	40%	0.402	8%	0.077	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	150.6	176.6	-62	-179.1	-20.7	0	0	111.3	I89 D173 V194	Q87-I89 VanDerWaalsContact C-N 3.32Å; Q87-I89 PolarHBondContact O-N 2.82Å; Q87-D173 WeakPolarHBondContact CA-OD1 3.36Å; Q87-D173 WeakPolarHBondContact CB-OD1 3.19Å; Q87-V194 WeakPolarHBondContact O-CB 3.35Å; Q87-V194 VanDerWaalsContact O-CG1 3.25Å; Q87-V194 WeakPolarHBondContact O-CG1 3.26Å
88	H	87.1	Confident	87.1	Confident	31 Å²	31	19.1 Å²	19.1	14%	0.144	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	55.4	38.7	173.7	-46.1	87.8	0	0	0	114.8	K90 E171 M172 D173 V194 K195 Y198	H88-K90 PolarHBondContact O-N 2.89Å; H88-E171 HydrophobicContact CB-CB 4.13Å; H88-E171 HydrophobicContact CB-CG 4.35Å; H88-E171 IonicContact CD2-OE2 2.76Å; H88-E171 PolarHBondContact CD2-OE2 3.31Å; H88-E171 VanDerWaalsContact CD2-OE2 3.23Å; H88-E171 IonicContact CG-OE2 3.55Å; H88-M172 PolarHBondContact N-O 3.25Å; H88-D173 PolarHBondContact N-OD1 3.38Å; H88-V194 CarbonylContact O-C 3.59Å; H88-V194 VanDerWaalsContact O-CA 3.24Å; H88-V194 WeakPolarHBondContact O-CA 3.49Å; H88-K195 PolarHBondContact O-N 3.32Å; H88-Y198 AromaticContact CE1-CD2 3.32Å; H88-Y198 WeakPolarHBondContact CE1-CD2 3.23Å; H88-Y198 AromaticContact CE1-CE2 2.89Å; H88-Y198 WeakPolarHBondContact CE1-CE2 3.43Å; H88-Y198 AromaticContact CE1-CZ 3.78Å; H88-Y198 AromaticContact CG-CE2 3.97Å; H88-Y198 AromaticContact ND1-CD2 3.34Å; H88-Y198 VanDerWaalsContact ND1-CD2 3.34Å; H88-Y198 WeakPolarHBondContact ND1-CD2 3.43Å; H88-Y198 AromaticContact ND1-CE2 3.18Å; H88-Y198 WeakPolarHBondContact ND1-CE2 3.44Å; H88-Y198 AromaticContact NE2-CE2 3.44Å; H88-Y198 WeakPolarHBondContact NE2-CE2 3.31Å
89	I	89.8	Confident	86.1	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	126.4	169.3	-58.6	175	0	0	0	108.1	F82 L86 Q87 I92 L114 M172 A174 V192 V194	F82-I89 HydrophobicContact CE2-CD1 4.29Å; L86-I89 HydrophobicContact CB-CD1 4.01Å; L86-I89 HydrophobicContact CB-CG1 4.01Å; L86-I89 HydrophobicContact CD1-CD1 4.27Å; Q87-I89 VanDerWaalsContact C-N 3.32Å; Q87-I89 PolarHBondContact O-N 2.82Å; I89-I92 HydrophobicContact CG2-CD1 4.41Å; I89-I92 HydrophobicContact CG2-CG1 4.31Å; I89-L114 HydrophobicContact CB-CD1 3.91Å; I89-L114 HydrophobicContact CD1-CD1 4.05Å; I89-L114 HydrophobicContact CD1-CD2 3.86Å; I89-L114 HydrophobicContact CG2-CD1 3.84Å; I89-L114 HydrophobicContact CG2-CD2 4.43Å; I89-M172 WeakPolarHBondContact CB-O 3.42Å; I89-M172 PolarHBondContact N-O 2.87Å; I89-M172 PolarHBondContact O-N 2.81Å; I89-A174 HydrophobicContact CD1-CB 4.02Å; I89-V192 HydrophobicContact CG1-CG1 4.48Å; I89-V192 HydrophobicContact CG2-CG1 3.95Å; I89-V194 HydrophobicContact CG1-CG1 4.03Å
90	K	89.2	Confident	85	Confident	51 Å²	51	26.6 Å²	26.6	22%	0.222	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	-39.5	-174.4	-177.8	58.2	-176.2	169.2	0	113	L26 H88 E167 C168 E171 Y193 K195	L26-K90 HydrophobicContact CD2-CB 4.08Å; L26-K90 HydrophobicContact CD2-CG 4.19Å; H88-K90 PolarHBondContact O-N 2.89Å; K90-E167 WeakPolarHBondContact O-CA 3.44Å; K90-C168 PolarHBondContact NZ-O 3.38Å; K90-C168 PolarHBondContact O-N 2.82Å; K90-E171 HydrophobicContact CD-CG 4.39Å; K90-Y193 PolarHBondContact N-O 2.76Å; K90-K195 HydrophobicContact CB-CB 4.17Å
91	E	88.6	Confident	83.9	Confident	15 Å²	15	34.7 Å²	34.7	7%	0.07	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	138.6	-175.2	-179.7	-172.6	146.8	0	0	111.2	L26 R93 T165 I166 Y193	L26-E91 HydrophobicContact CD1-CB 4.49Å; L26-E91 WeakPolarHBondContact CD1-OE2 3.17Å; E91-R93 IonicContact OE1-CZ 3.85Å; E91-R93 IonicContact OE1-NE 2.89Å; E91-R93 PolarHBondContact OE1-NE 3.24Å; E91-R93 IonicContact OE1-NH2 3.96Å; E91-R93 PolarHBondContact OE1-NH2 3.16Å; E91-T165 VanDerWaalsContact CD-CG2 3.43Å; E91-T165 HydrophobicContact CG-CG2 3.48Å; E91-T165 VanDerWaalsContact CG-CG2 3.48Å; E91-T165 WeakPolarHBondContact OE1-CG2 3.33Å; E91-I166 CarbonylContact C-O 3.52Å; E91-I166 VanDerWaalsContact CA-O 3.26Å; E91-I166 WeakPolarHBondContact CA-O 3.46Å; E91-Y193 HydrophobicContact CB-CD2 4.1Å; E91-Y193 HydrophobicContact CB-CG 4.5Å; E91-Y193 HydrophobicContact CG-CD2 3.99Å; E91-Y193 PolarHBondContact N-O 3.24Å; E91-Y193 PolarHBondContact O-N 3.16Å
92	I	89.9	Confident	83	Confident	0 Å²	0	41 Å²	41	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	132	177.9	-62.3	155.4	0	0	0	107.7	I89 L94 V112 L114 I166 L177 L189 V192	I89-I92 HydrophobicContact CG2-CD1 4.41Å; I89-I92 HydrophobicContact CG2-CG1 4.31Å; I92-L94 HydrophobicContact CG2-CD2 4.21Å; I92-V112 HydrophobicContact CD1-CG1 3.67Å; I92-L114 HydrophobicContact CD1-CD2 4.3Å; I92-I166 HydrophobicContact CB-CB 4.3Å; I92-I166 HydrophobicContact CG2-CD1 4.4Å; I92-I166 PolarHBondContact N-O 2.83Å; I92-I166 PolarHBondContact O-N 3.2Å; I92-L177 HydrophobicContact CD1-CD1 3.75Å; I92-L177 HydrophobicContact CG2-CD2 4.19Å; I92-L189 HydrophobicContact CG2-CD1 3.84Å; I92-V192 HydrophobicContact CG1-CG1 4.4Å
93	R	86.5	Confident	82.2	Confident	45 Å²	45	43.3 Å²	43.3	17%	0.17	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129	178.2	-65.2	-173.1	-174.3	174.2	2.6	111.9	E91 A164 T165 I190 S191 Y193	E91-R93 IonicContact OE1-CZ 3.85Å; E91-R93 IonicContact OE1-NE 2.89Å; E91-R93 PolarHBondContact OE1-NE 3.24Å; E91-R93 IonicContact OE1-NH2 3.96Å; E91-R93 PolarHBondContact OE1-NH2 3.16Å; R93-A164 CarbonylContact C-O 3.55Å; R93-A164 VanDerWaalsContact CA-O 3.28Å; R93-A164 WeakPolarHBondContact CA-O 3.47Å; R93-T165 HydrophobicContact CG-CG2 4.46Å; R93-I190 HydrophobicContact CB-CB 3.98Å; R93-I190 HydrophobicContact CB-CD1 4.27Å; R93-I190 WeakPolarHBondContact O-CB 3.42Å; R93-I190 PolarHBondContact O-N 3.08Å; R93-S191 PolarHBondContact N-O 3.29Å; R93-S191 PolarHBondContact O-N 2.92Å; R93-Y193 HydrophobicContact CG-CE2 3.9Å; R93-Y193 PolarHBondContact NH1-OH 2.87Å
94	L	87	Confident	81.3	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	144.4	177.3	-52.6	175.7	0	0	0	109.6	I92 L107 I110 T154 A163 A164 I166 L179 C188 L189	I92-L94 HydrophobicContact CG2-CD2 4.21Å; L94-L107 HydrophobicContact CB-CD2 3.94Å; L94-I110 HydrophobicContact CD1-CD1 4.49Å; L94-I110 HydrophobicContact CD1-CG2 4.44Å; L94-T154 HydrophobicContact CD1-CG2 4.4Å; L94-A163 CarbonylContact O-C 3.38Å; L94-A163 WeakPolarHBondContact O-CA 3.27Å; L94-A163 WeakPolarHBondContact O-CB 3.01Å; L94-A164 HydrophobicContact CB-CB 4.32Å; L94-A164 PolarHBondContact N-O 2.65Å; L94-A164 PolarHBondContact O-N 2.71Å; L94-I166 HydrophobicContact CD1-CD1 3.55Å; L94-I166 HydrophobicContact CG-CD1 3.9Å; L94-L179 HydrophobicContact CD1-CD1 4.3Å; L94-L179 HydrophobicContact CD1-CD2 4.24Å; L94-L179 HydrophobicContact CD2-CD1 3.82Å; L94-C188 CarbonylContact C-O 3.51Å; L94-C188 WeakPolarHBondContact CA-O 3.49Å; L94-L189 HydrophobicContact CD2-CD1 3.66Å
95	A	83.8	Confident	80.7	Confident	19 Å²	19	48.4 Å²	48.4	16%	0.157	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	148.2	167.5	0	0	0	0	0	109.6	C188 I190	A95-C188 HydrophobicContact CB-CB 4.13Å; A95-C188 PolarHBondContact N-O 2.84Å; A95-C188 PolarHBondContact O-N 3.03Å; A95-I190 HydrophobicContact CB-CD1 3.59Å; A95-I190 HydrophobicContact CB-CG1 3.73Å
96	P	81.1	Confident	80.5	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.013	23%	0.228	C	C	.	.			trans	-78.6	163.4	164.1	15.7	3.5	0	0	0	109.4	P98 F103 K106 L107 R162	P96-P98 WeakPolarHBondContact O-CD 3.4Å; P96-F103 HydrophobicContact CB-CD2 3.71Å; P96-F103 HydrophobicContact CB-CE2 3.83Å; P96-F103 HydrophobicContact CG-CD2 3.56Å; P96-F103 HydrophobicContact CG-CE1 4.28Å; P96-F103 HydrophobicContact CG-CE2 3.31Å; P96-F103 HydrophobicContact CG-CG 4.2Å; P96-F103 HydrophobicContact CG-CZ 3.72Å; P96-K106 HydrophobicContact CB-CB 3.87Å; P96-L107 HydrophobicContact CB-CD1 4.41Å; P96-L107 HydrophobicContact CB-CG 4.05Å; P96-L107 HydrophobicContact CG-CD1 3.58Å; P96-L107 HydrophobicContact CG-CG 3.7Å; P96-R162 VanDerWaalsContact CD-O 3.26Å; P96-R162 WeakPolarHBondContact CD-O 3.37Å
97	N	78.5	Confident	80.4	Confident	31 Å²	31	46.9 Å²	46.9	17%	0.166	23%	0.229	C	C	.	.			trans	-63.8	118.9	167.6	179.3	-4.7	0	0	0	110.5	C62 F99 H100 F103 E186	C62-N97 HydrophobicContact CB-CB 4.01Å; C62-N97 WeakPolarHBondContact SG-CA 3.39Å; N97-F99 PolarHBondContact O-N 2.04Å; N97-F99 WeakPolarHBondContact OD1-CD2 3.5Å; N97-F99 PolarHBondContact OD1-N 3.21Å; N97-H100 HydrophobicContact CB-CB 4.36Å; N97-H100 PolarHBondContact O-N 2.87Å; N97-H100 VanDerWaalsContact O-N 3.12Å; N97-F103 VanDerWaalsContact O-CD2 3.28Å; N97-F103 WeakPolarHBondContact O-CD2 3.15Å; N97-E186 HydrophobicContact CB-CG 3.91Å; N97-E186 WeakPolarHBondContact CB-OE1 3.11Å; N97-E186 PolarHBondContact ND2-OE1 3.19Å
98	P	71.6	Confident	80.4	Confident	66 Å²	66	43.7 Å²	43.7	43%	0.429	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.7	-177.2	24.7	-33.6	0	0	0	114.4	P60 P96 F103	P60-P98 HydrophobicContact CG-CG 3.71Å; P96-P98 WeakPolarHBondContact O-CD 3.4Å; P98-F103 HydrophobicContact CB-CE2 4.27Å
99	F	71.9	Confident	80.5	Confident	118 Å²	118	45.9 Å²	45.9	52%	0.518	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-1	-178.3	-56.8	-73.5	0	0	0	113.9	Q59 N97	Q59-F99 HydrophobicContact CB-CD2 4.1Å; Q59-F99 HydrophobicContact CB-CE2 3.46Å; Q59-F99 VanDerWaalsContact CB-CE2 3.46Å; Q59-F99 HydrophobicContact CB-CZ 4.18Å; Q59-F99 VanDerWaalsContact CD-CE2 3.44Å; Q59-F99 HydrophobicContact CG-CD2 4.07Å; Q59-F99 HydrophobicContact CG-CE1 4.47Å; Q59-F99 HydrophobicContact CG-CE2 3.33Å; Q59-F99 HydrophobicContact CG-CZ 3.58Å; N97-F99 PolarHBondContact O-N 2.04Å; N97-F99 WeakPolarHBondContact OD1-CD2 3.5Å; N97-F99 PolarHBondContact OD1-N 3.21Å
100	H	71.3	Confident	80.6	Confident	38 Å²	38	45.9 Å²	45.9	18%	0.176	23%	0.229	C	C	.	.			trans	-76.2	135.8	-179	-164	-88.1	0	0	0	112.5	N97 Y102 F103 K106 E186	N97-H100 HydrophobicContact CB-CB 4.36Å; N97-H100 PolarHBondContact O-N 2.87Å; N97-H100 VanDerWaalsContact O-N 3.12Å; H100-Y102 AromaticContact CE1-CD2 3.86Å; H100-Y102 PolarHBondContact ND1-N 2.79Å; H100-Y102 VanDerWaalsContact ND1-N 3.12Å; H100-Y102 PolarHBondContact O-N 3.11Å; H100-F103 PolarHBondContact O-N 2.86Å; H100-K106 WeakPolarHBondContact CE1-CE 3.46Å; H100-K106 PolarHBondContact CE1-NZ 3.41Å; H100-K106 VanDerWaalsContact ND1-CE 3.33Å; H100-K106 WeakPolarHBondContact ND1-CE 3.29Å; H100-K106 PolarHBondContact ND1-NZ 2.81Å; H100-K106 PolarHBondContact NE2-NZ 3.07Å; H100-E186 WeakPolarHBondContact CB-OE1 3.49Å; H100-E186 WeakPolarHBondContact CB-OE2 3.23Å; H100-E186 VanDerWaalsContact CD2-CD 3.43Å; H100-E186 IonicContact CD2-OE1 3.78Å; H100-E186 PolarHBondContact CD2-OE1 3.26Å; H100-E186 VanDerWaalsContact CD2-OE1 3.3Å; H100-E186 IonicContact CD2-OE2 2.62Å; H100-E186 PolarHBondContact CD2-OE2 3.27Å; H100-E186 IonicContact CE1-OE2 3.17Å; H100-E186 IonicContact CG-OE1 3.73Å; H100-E186 IonicContact CG-OE2 3.03Å; H100-E186 IonicContact ND1-OE2 2.99Å; H100-E186 IonicContact NE2-OE2 3.45Å
101	K	70.5	Confident	80.9	Confident	171 Å²	171	45.3 Å²	45.3	74%	0.743	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-29.7	-179	-173	178.5	-179.9	-175.8	0	114.1
102	Y	73.8	Confident	81.2	Confident	132 Å²	132	44.6 Å²	44.6	52%	0.518	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	33.5	-178.5	-57	-70.1	0	0	0	113.6	H100 A104 T105 K106	H100-Y102 AromaticContact CE1-CD2 3.86Å; H100-Y102 PolarHBondContact ND1-N 2.79Å; H100-Y102 VanDerWaalsContact ND1-N 3.12Å; H100-Y102 PolarHBondContact O-N 3.11Å; Y102-A104 PolarHBondContact O-N 3.33Å; Y102-T105 PolarHBondContact O-N 2.94Å; Y102-T105 PolarHBondContact O-OG1 3.15Å; Y102-K106 VanDerWaalsContact O-CG 3.29Å; Y102-K106 WeakPolarHBondContact O-CG 3.44Å; Y102-K106 PolarHBondContact O-N 3.46Å
103	F	72.6	Confident	81.5	Confident	51 Å²	51	45.2 Å²	45.2	22%	0.224	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-40.1	-45.1	-179.1	178.1	-99	0	0	0	114.5	P96 N97 P98 H100 T105 K106 R162	P96-F103 HydrophobicContact CB-CD2 3.71Å; P96-F103 HydrophobicContact CB-CE2 3.83Å; P96-F103 HydrophobicContact CG-CD2 3.56Å; P96-F103 HydrophobicContact CG-CE1 4.28Å; P96-F103 HydrophobicContact CG-CE2 3.31Å; P96-F103 HydrophobicContact CG-CG 4.2Å; P96-F103 HydrophobicContact CG-CZ 3.72Å; N97-F103 VanDerWaalsContact O-CD2 3.28Å; N97-F103 WeakPolarHBondContact O-CD2 3.15Å; P98-F103 HydrophobicContact CB-CE2 4.27Å; H100-F103 PolarHBondContact O-N 2.86Å; F103-T105 VanDerWaalsContact C-N 3.27Å; F103-T105 PolarHBondContact O-N 3.32Å; F103-K106 PolarHBondContact O-N 2.74Å; F103-R162 HydrophobicContact CE1-CB 4.48Å; F103-R162 HydrophobicContact CE1-CG 4.14Å; F103-R162 HydrophobicContact CZ-CB 4.1Å; F103-R162 HydrophobicContact CZ-CG 4.07Å
104	A	68.4	Low	81.9	Confident	39 Å²	39	43.1 Å²	43.1	32%	0.322	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-65	-22.7	-173.8	0	0	0	0	0	115.1	Y102 A159	Y102-A104 PolarHBondContact O-N 3.33Å; A104-A159 HydrophobicContact CB-CB 4.17Å
105	T	75.6	Confident	82.2	Confident	74 Å²	74	43.1 Å²	43.1	45%	0.454	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-113.8	1.4	-177.7	57.8	0	0	0	0	112.8	Y102 F103 L107 S108	Y102-T105 PolarHBondContact O-N 2.94Å; Y102-T105 PolarHBondContact O-OG1 3.15Å; F103-T105 VanDerWaalsContact C-N 3.27Å; F103-T105 PolarHBondContact O-N 3.32Å; T105-L107 VanDerWaalsContact C-N 3.29Å; T105-L107 PolarHBondContact O-N 3.11Å; T105-S108 PolarHBondContact O-N 3.38Å; T105-S108 PolarHBondContact O-OG 3.09Å
106	K	81.5	Confident	82.4	Confident	11 Å²	11	44.1 Å²	44.1	5%	0.048	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-24.2	-172.3	-83.6	-75.4	172.6	125.7	0	114.2	P96 H100 Y102 F103 R181 E184 E186	P96-K106 HydrophobicContact CB-CB 3.87Å; H100-K106 WeakPolarHBondContact CE1-CE 3.46Å; H100-K106 PolarHBondContact CE1-NZ 3.41Å; H100-K106 VanDerWaalsContact ND1-CE 3.33Å; H100-K106 WeakPolarHBondContact ND1-CE 3.29Å; H100-K106 PolarHBondContact ND1-NZ 2.81Å; H100-K106 PolarHBondContact NE2-NZ 3.07Å; Y102-K106 VanDerWaalsContact O-CG 3.29Å; Y102-K106 WeakPolarHBondContact O-CG 3.44Å; Y102-K106 PolarHBondContact O-N 3.46Å; F103-K106 PolarHBondContact O-N 2.74Å; K106-R181 PolarHBondContact O-NH1 3.12Å; K106-E184 WeakPolarHBondContact CE-OE1 3.44Å; K106-E184 IonicContact NZ-OE1 2.67Å; K106-E184 PolarHBondContact NZ-OE1 3.39Å; K106-E184 IonicContact NZ-OE2 3.13Å; K106-E186 HydrophobicContact CD-CB 4.28Å; K106-E186 WeakPolarHBondContact CD-OE2 3.44Å; K106-E186 IonicContact NZ-OE2 2.93Å; K106-E186 PolarHBondContact NZ-OE2 3.5Å
107	L	85	Confident	82.5	Confident	5 Å²	5	45.2 Å²	45.2	3%	0.026	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	4.7	176.7	-66.5	176.1	0	0	0	114.4	L94 P96 T105 I110 T154 I157 A164 I187	L94-L107 HydrophobicContact CB-CD2 3.94Å; P96-L107 HydrophobicContact CB-CD1 4.41Å; P96-L107 HydrophobicContact CB-CG 4.05Å; P96-L107 HydrophobicContact CG-CD1 3.58Å; P96-L107 HydrophobicContact CG-CG 3.7Å; T105-L107 VanDerWaalsContact C-N 3.29Å; T105-L107 PolarHBondContact O-N 3.11Å; L107-I110 HydrophobicContact CD2-CD1 3.98Å; L107-T154 WeakPolarHBondContact O-CB 3.25Å; L107-T154 PolarHBondContact O-OG1 3.28Å; L107-I157 HydrophobicContact CB-CD1 3.97Å; L107-A164 HydrophobicContact CB-CB 4.24Å; L107-A164 HydrophobicContact CD1-CB 3.84Å; L107-A164 HydrophobicContact CG-CB 4.48Å; L107-I187 HydrophobicContact CD2-CG2 4.07Å
108	S	85.3	Confident	82.6	Confident	19 Å²	19	46.1 Å²	46.1	13%	0.133	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	149.2	177.2	64.3	0	0	0	0	112.4	T105 I110 G155 R181	T105-S108 PolarHBondContact O-N 3.38Å; T105-S108 PolarHBondContact O-OG 3.09Å; S108-I110 VanDerWaalsContact C-N 3.29Å; S108-I110 PolarHBondContact O-N 2.95Å; S108-G155 VanDerWaalsContact CA-O 3.31Å; S108-G155 WeakPolarHBondContact CA-O 3.11Å; S108-G155 WeakPolarHBondContact CB-O 2.96Å; S108-R181 PolarHBondContact O-NH1 3.25Å
109	N	88.8	Confident	83.1	Confident	77 Å²	77	46.3 Å²	46.3	41%	0.412	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	37.9	170.9	-55.4	-35.4	0	0	0	115.2	T154 G155	N109-T154 PolarHBondContact N-OG1 2.93Å; N109-G155 PolarHBondContact N-O 2.86Å; N109-G155 VanDerWaalsContact N-O 3.16Å
110	I	92.1	Very high	83.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.223	C	C	.	.			trans	-93.1	115	171	-58.1	174	0	0	0	107.5	L94 L107 S108 S153 T154 L179 L185 I187	L94-I110 HydrophobicContact CD1-CD1 4.49Å; L94-I110 HydrophobicContact CD1-CG2 4.44Å; L107-I110 HydrophobicContact CD2-CD1 3.98Å; S108-I110 VanDerWaalsContact C-N 3.29Å; S108-I110 PolarHBondContact O-N 2.95Å; I110-S153 CarbonylContact O-C 3.49Å; I110-S153 VanDerWaalsContact O-CA 3.27Å; I110-S153 WeakPolarHBondContact O-CA 3.31Å; I110-S153 PolarHBondContact O-OG 2.86Å; I110-T154 HydrophobicContact CB-CG2 4.02Å; I110-T154 PolarHBondContact N-OG1 3.38Å; I110-T154 PolarHBondContact O-N 3.35Å; I110-L179 HydrophobicContact CG2-CB 4.21Å; I110-L179 HydrophobicContact CG2-CD2 4.33Å; I110-L185 HydrophobicContact CD1-CD1 3.81Å; I110-L185 HydrophobicContact CG1-CD1 3.85Å; I110-L185 HydrophobicContact CG2-CD1 3.94Å; I110-I187 HydrophobicContact CD1-CG2 3.69Å
111	D	94.4	Very high	84.3	Confident	38 Å²	38	43.7 Å²	43.7	20%	0.203	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	130.7	172.5	-66.6	-22.2	0	0	0	109.9	F113 F150 S153 L179 R180	D111-F113 HydrophobicContact CB-CD2 4.36Å; D111-F113 HydrophobicContact CB-CE2 3.45Å; D111-F113 VanDerWaalsContact CB-CE2 3.45Å; D111-F113 HydrophobicContact CB-CZ 3.89Å; D111-F150 HydrophobicContact CB-CE2 4.09Å; D111-S153 WeakPolarHBondContact OD1-CB 3.15Å; D111-S153 PolarHBondContact OD1-OG 2.93Å; D111-L179 CarbonylContact O-C 3.42Å; D111-L179 WeakPolarHBondContact O-CA 2.99Å; D111-R180 PolarHBondContact N-O 3.17Å; D111-R180 PolarHBondContact O-N 3.34Å; D111-R180 IonicContact OD2-CZ 3.67Å; D111-R180 IonicContact OD2-NE 2.67Å; D111-R180 IonicContact OD2-NH2 3.77Å; D111-R180 PolarHBondContact OD2-NH2 2.87Å
112	V	94.8	Very high	85	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	128.4	-178.1	-179.4	0	0	0	0	109.3	I92 C151 Q152 I166 L177 L179	I92-V112 HydrophobicContact CD1-CG1 3.67Å; V112-C151 HydrophobicContact CB-CB 4.4Å; V112-C151 HydrophobicContact CG1-CB 4.13Å; V112-C151 WeakPolarHBondContact O-CB 3.46Å; V112-C151 PolarHBondContact O-N 2.62Å; V112-Q152 WeakPolarHBondContact CA-O 3.49Å; V112-Q152 VanDerWaalsContact CB-O 3.3Å; V112-Q152 WeakPolarHBondContact CB-O 3.2Å; V112-Q152 PolarHBondContact N-O 2.96Å; V112-Q152 PolarHBondContact O-N 3.33Å; V112-I166 HydrophobicContact CB-CD1 4.49Å; V112-I166 HydrophobicContact CB-CG2 4.32Å; V112-I166 HydrophobicContact CG1-CG2 4.38Å; V112-I166 HydrophobicContact CG2-CD1 3.38Å; V112-I166 HydrophobicContact CG2-CG1 4.04Å; V112-I166 HydrophobicContact CG2-CG2 4.28Å; V112-L177 HydrophobicContact CG1-CD1 3.68Å; V112-L179 HydrophobicContact CB-CD2 3.94Å; V112-L179 HydrophobicContact CG1-CD2 3.79Å; V112-L179 HydrophobicContact CG2-CD2 3.41Å; V112-L179 VanDerWaalsContact CG2-CD2 3.41Å
113	F	96.1	Very high	85.7	Confident	13 Å²	13	33.7 Å²	33.7	6%	0.057	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	149.2	-179.9	-54.3	-97.4	0	0	0	110.6	D111 W143 I148 K149 F150 L177 A178 R180	D111-F113 HydrophobicContact CB-CD2 4.36Å; D111-F113 HydrophobicContact CB-CE2 3.45Å; D111-F113 VanDerWaalsContact CB-CE2 3.45Å; D111-F113 HydrophobicContact CB-CZ 3.89Å; F113-W143 HydrophobicContact CD2-CE3 4.01Å; F113-W143 AromaticContact CD2-CZ3 3.83Å; F113-W143 HydrophobicContact CD2-CZ3 3.83Å; F113-W143 AromaticContact CE2-CE3 3.92Å; F113-W143 HydrophobicContact CE2-CE3 3.92Å; F113-W143 HydrophobicContact CE2-CZ3 4.05Å; F113-W143 HydrophobicContact CG-CE3 4.4Å; F113-W143 HydrophobicContact CG-CZ3 4.42Å; F113-W143 HydrophobicContact CZ-CE3 4.25Å; F113-I148 HydrophobicContact CB-CG2 3.85Å; F113-I148 HydrophobicContact CD1-CG2 3.78Å; F113-I148 HydrophobicContact CG-CG2 4.04Å; F113-K149 CarbonylContact C-O 3.54Å; F113-K149 VanDerWaalsContact CA-O 3.23Å; F113-K149 WeakPolarHBondContact CA-O 3.45Å; F113-F150 HydrophobicContact CD1-CB 3.92Å; F113-F150 AromaticContact CD1-CD2 3.94Å; F113-F150 HydrophobicContact CD1-CD2 3.94Å; F113-F150 HydrophobicContact CD1-CG 4.44Å; F113-F150 HydrophobicContact CE1-CB 3.92Å; F113-F150 AromaticContact CE1-CD2 3.54Å; F113-F150 HydrophobicContact CE1-CD2 3.54Å; F113-F150 HydrophobicContact CE1-CG 4.2Å; F113-F150 HydrophobicContact CE2-CD2 4.49Å; F113-F150 AromaticContact CZ-CD2 3.83Å; F113-F150 HydrophobicContact CZ-CD2 3.83Å; F113-F150 HydrophobicContact CZ-CE2 4.44Å; F113-L177 WeakPolarHBondContact O-CD1 3.01Å; F113-A178 HydrophobicContact CB-CB 4.23Å; F113-A178 PolarHBondContact N-O 3.02Å; F113-A178 PolarHBondContact O-N 3.21Å; F113-R180 HydrophobicContact CE2-CB 4.2Å
114	L	95.3	Very high	86.4	Confident	2 Å²	2	31.7 Å²	31.7	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.2	171.9	-70.9	-178.2	0	0	0	108.7	I89 I92 K149 M172 A174 L177	I89-L114 HydrophobicContact CB-CD1 3.91Å; I89-L114 HydrophobicContact CD1-CD1 4.05Å; I89-L114 HydrophobicContact CD1-CD2 3.86Å; I89-L114 HydrophobicContact CG2-CD1 3.84Å; I89-L114 HydrophobicContact CG2-CD2 4.43Å; I92-L114 HydrophobicContact CD1-CD2 4.3Å; L114-K149 PolarHBondContact N-O 3.42Å; L114-K149 PolarHBondContact O-N 2.86Å; L114-M172 HydrophobicContact CB-CE 4.47Å; L114-M172 HydrophobicContact CD1-CB 3.68Å; L114-M172 HydrophobicContact CD1-CE 3.53Å; L114-M172 HydrophobicContact CD1-SD 4.36Å; L114-M172 HydrophobicContact CG-CE 4.2Å; L114-A174 HydrophobicContact CB-CB 3.72Å; L114-A174 HydrophobicContact CD2-CB 4.16Å; L114-A174 HydrophobicContact CG-CB 4.35Å; L114-L177 HydrophobicContact CD2-CB 4.32Å; L114-L177 HydrophobicContact CD2-CD1 3.91Å
115	I	93.6	Very high	87.3	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	122	-176.5	-41.1	176.9	0	0	0	109.7	T123 L127 G147 I148 A174 K175 W176 A178	I115-T123 HydrophobicContact CG2-CG2 3.46Å; I115-T123 VanDerWaalsContact CG2-CG2 3.46Å; I115-L127 HydrophobicContact CD1-CD2 4.24Å; I115-L127 HydrophobicContact CG2-CD1 3.99Å; I115-G147 WeakPolarHBondContact CA-O 3.48Å; I115-G147 WeakPolarHBondContact CG2-O 3.49Å; I115-I148 HydrophobicContact CD1-CD1 4.43Å; I115-I148 HydrophobicContact CD1-CG1 4.19Å; I115-I148 HydrophobicContact CG1-CG1 4.13Å; I115-I148 HydrophobicContact CG1-CG2 4.3Å; I115-I148 HydrophobicContact CG2-CG1 4.07Å; I115-A174 WeakPolarHBondContact O-CB 3.32Å; I115-K175 PolarHBondContact O-N 3.17Å; I115-K175 VanDerWaalsContact O-N 3.14Å; I115-W176 HydrophobicContact CB-CB 4Å; I115-W176 HydrophobicContact CB-CG 4.48Å; I115-W176 HydrophobicContact CD1-CB 4.45Å; I115-W176 HydrophobicContact CG1-CB 4.38Å; I115-W176 PolarHBondContact N-O 2.92Å; I115-W176 PolarHBondContact O-N 2.85Å; I115-A178 HydrophobicContact CD1-CB 4.04Å; I115-A178 HydrophobicContact CG1-CB 4.5Å
116	Q	88.4	Confident	87.8	Confident	40 Å²	40	32.6 Å²	32.6	19%	0.187	18%	0.179	C	C	.	.			trans	-97.4	124.8	178.9	-170.4	173.1	-9.2	0	0	109.7	E119 G147	Q116-E119 HydrophobicContact CB-CG 3.97Å; Q116-E119 HydrophobicContact CG-CG 3.91Å; Q116-E119 VanDerWaalsContact OE1-CD 3.27Å; Q116-E119 PolarHBondContact OE1-OE1 3.37Å; Q116-G147 PolarHBondContact N-O 2.81Å
117	S	82.7	Confident	88.2	Confident	25 Å²	25	32.2 Å²	32.2	18%	0.175	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	141.8	176.4	-69.2	0	0	0	0	111.1	D124 W176 L402	S117-D124 WeakPolarHBondContact CA-OD1 3.21Å; S117-W176 PolarHBondContact OG-NE1 3.39Å; S117-L402 WeakPolarHBondContact CB-O 3.45Å
118	G	80.7	Confident	88.1	Confident	50 Å²	50	32.2 Å²	32.2	52%	0.515	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	-4.7	177.9	0	0	0	0	0	115.8	D124	G118-D124 VanDerWaalsContact CA-OD2 3.22Å; G118-D124 WeakPolarHBondContact CA-OD2 3.42Å; G118-D124 PolarHBondContact N-OD1 2.78Å; G118-D124 PolarHBondContact N-OD2 3.1Å
119	E	82.3	Confident	88.1	Confident	69 Å²	69	33.7 Å²	33.7	32%	0.322	19%	0.188	S	C	.	.	S	Bend	trans	-77.6	-28.2	176.7	-76.2	-159.8	144	0	0	113.5	Q116 K149	Q116-E119 HydrophobicContact CB-CG 3.97Å; Q116-E119 HydrophobicContact CG-CG 3.91Å; Q116-E119 VanDerWaalsContact OE1-CD 3.27Å; Q116-E119 PolarHBondContact OE1-OE1 3.37Å; E119-K149 VanDerWaalsContact CD-NZ 3.29Å; E119-K149 WeakPolarHBondContact OE1-CE 3.33Å; E119-K149 IonicContact OE1-NZ 2.71Å; E119-K149 PolarHBondContact OE1-NZ 3.26Å; E119-K149 WeakPolarHBondContact OE2-CE 3.47Å; E119-K149 IonicContact OE2-NZ 3.83Å; E119-K149 PolarHBondContact OE2-NZ 3.45Å
120	S	84.2	Confident	87.8	Confident	21 Å²	21	30.2 Å²	30.2	15%	0.147	17%	0.17	C	C	.	.			trans	-151.1	121.2	-177.4	177.9	0	0	0	0	110.5	E122 T123 D124	S120-E122 PolarHBondContact O-N 3.05Å; S120-T123 WeakPolarHBondContact CB-OG1 3.44Å; S120-T123 PolarHBondContact O-N 3.26Å; S120-T123 VanDerWaalsContact O-N 3.07Å; S120-D124 PolarHBondContact O-N 3.32Å
121	L	84.1	Confident	87.3	Confident	80 Å²	80	33 Å²	33	42%	0.419	18%	0.181	S	C	.	.	H	α-helix	trans	-56.4	-38.3	176.1	-178.6	65.8	0	0	0	111.7	D124 E125 A377 V378	L121-D124 PolarHBondContact O-N 2.95Å; L121-E125 HydrophobicContact CD1-CG 4.3Å; L121-E125 HydrophobicContact CG-CG 4.32Å; L121-E125 WeakPolarHBondContact O-CB 3.36Å; L121-E125 VanDerWaalsContact O-CG 3.29Å; L121-E125 WeakPolarHBondContact O-CG 3.34Å; L121-E125 PolarHBondContact O-N 3.42Å; L121-A377 HydrophobicContact CD1-CB 3.73Å; L121-V378 HydrophobicContact CD1-CG2 4.2Å
122	E	86	Confident	86.3	Confident	93 Å²	93	36.3 Å²	36.3	44%	0.435	20%	0.195	S	C	.	.	H	α-helix	trans	-61.1	-44.4	176.8	178	-167.9	-136.7	0	0	111.6	S120 E125 M126 M142 S145	S120-E122 PolarHBondContact O-N 3.05Å; E122-E125 PolarHBondContact O-N 3.26Å; E122-M126 WeakPolarHBondContact O-CB 3.39Å; E122-M126 PolarHBondContact O-N 3.39Å; E122-M142 HydrophobicContact CG-SD 4.02Å; E122-S145 PolarHBondContact OE2-OG 2.96Å
123	T	88.1	Confident	84.7	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-65.5	-44	176.9	-51.3	0	0	0	0	110.4	I115 S120 E125 M126 L127 S145 G147 I148	I115-T123 HydrophobicContact CG2-CG2 3.46Å; I115-T123 VanDerWaalsContact CG2-CG2 3.46Å; S120-T123 WeakPolarHBondContact CB-OG1 3.44Å; S120-T123 PolarHBondContact O-N 3.26Å; S120-T123 VanDerWaalsContact O-N 3.07Å; T123-E125 PolarHBondContact O-N 2.85Å; T123-M126 HydrophobicContact CG2-CE 4.41Å; T123-M126 WeakPolarHBondContact O-CB 3.26Å; T123-M126 PolarHBondContact O-N 2.97Å; T123-L127 HydrophobicContact CG2-CD1 4.25Å; T123-L127 VanDerWaalsContact O-CG 3.28Å; T123-L127 WeakPolarHBondContact O-CG 3.04Å; T123-L127 PolarHBondContact O-N 3.41Å; T123-S145 WeakPolarHBondContact OG1-CB 3.46Å; T123-S145 PolarHBondContact OG1-OG 2.85Å; T123-G147 PolarHBondContact OG1-N 2.94Å; T123-I148 HydrophobicContact CG2-CD1 4.49Å; T123-I148 HydrophobicContact CG2-CG1 3.9Å
124	D	86.6	Confident	82.8	Confident	8 Å²	8	44.7 Å²	44.7	4%	0.043	24%	0.242	C	C	.	.	H	α-helix	trans	-67.4	-35.2	-179.9	-67	-39	0	0	0	112.3	S117 G118 S120 L121 L127 A128 A377	S117-D124 WeakPolarHBondContact CA-OD1 3.21Å; G118-D124 VanDerWaalsContact CA-OD2 3.22Å; G118-D124 WeakPolarHBondContact CA-OD2 3.42Å; G118-D124 PolarHBondContact N-OD1 2.78Å; G118-D124 PolarHBondContact N-OD2 3.1Å; S120-D124 PolarHBondContact O-N 3.32Å; L121-D124 PolarHBondContact O-N 2.95Å; D124-L127 PolarHBondContact O-N 2.98Å; D124-A128 WeakPolarHBondContact O-CB 3.31Å; D124-A128 PolarHBondContact O-N 3.26Å; D124-A377 HydrophobicContact CB-CB 3.69Å
125	E	86.9	Confident	80.9	Confident	113 Å²	113	52 Å²	52	53%	0.528	28%	0.276	S	S	.	.	H	α-helix	trans	-65.8	-43.4	173	-77	-179.5	176.9	0	0	111.4	L121 E122 T123 A128 S129 A377	L121-E125 HydrophobicContact CD1-CG 4.3Å; L121-E125 HydrophobicContact CG-CG 4.32Å; L121-E125 WeakPolarHBondContact O-CB 3.36Å; L121-E125 VanDerWaalsContact O-CG 3.29Å; L121-E125 WeakPolarHBondContact O-CG 3.34Å; L121-E125 PolarHBondContact O-N 3.42Å; E122-E125 PolarHBondContact O-N 3.26Å; T123-E125 PolarHBondContact O-N 2.85Å; E125-A128 PolarHBondContact O-N 2.78Å; E125-S129 PolarHBondContact O-N 3.18Å; E125-A377 HydrophobicContact CB-CB 4.36Å; E125-A377 HydrophobicContact CG-CB 3.61Å
126	M	87.8	Confident	79	Confident	20 Å²	20	63.6 Å²	63.6	10%	0.099	32%	0.319	C	S	.	.	H	α-helix	trans	-58.3	-49.3	173.5	-178.3	-162.9	72.8	0	0	110.6	E122 T123 A128 S129 L130 I141 I148	E122-M126 WeakPolarHBondContact O-CB 3.39Å; E122-M126 PolarHBondContact O-N 3.39Å; T123-M126 HydrophobicContact CG2-CE 4.41Å; T123-M126 WeakPolarHBondContact O-CB 3.26Å; T123-M126 PolarHBondContact O-N 2.97Å; M126-A128 PolarHBondContact O-N 2.61Å; M126-S129 WeakPolarHBondContact O-CB 3.37Å; M126-S129 PolarHBondContact O-N 3.12Å; M126-S129 VanDerWaalsContact O-N 3.16Å; M126-S129 PolarHBondContact O-OG 3Å; M126-L130 PolarHBondContact O-N 3.09Å; M126-I141 HydrophobicContact CE-CD1 4.3Å; M126-I141 HydrophobicContact CE-CG2 4.14Å; M126-I141 HydrophobicContact CG-CD1 4.33Å; M126-I141 HydrophobicContact SD-CB 4.25Å; M126-I141 HydrophobicContact SD-CD1 3.87Å; M126-I141 HydrophobicContact SD-CG2 3.79Å; M126-I148 HydrophobicContact CE-CD1 4.02Å
127	L	88.2	Confident	77.6	Confident	3 Å²	3	65.6 Å²	65.6	2%	0.016	34%	0.335	C	S	.	.	H	α-helix	trans	-63.8	-38.7	178.5	-67	172.7	0	0	0	112.5	I115 T123 D124 S129 L130 W176	I115-L127 HydrophobicContact CD1-CD2 4.24Å; I115-L127 HydrophobicContact CG2-CD1 3.99Å; T123-L127 HydrophobicContact CG2-CD1 4.25Å; T123-L127 VanDerWaalsContact O-CG 3.28Å; T123-L127 WeakPolarHBondContact O-CG 3.04Å; T123-L127 PolarHBondContact O-N 3.41Å; D124-L127 PolarHBondContact O-N 2.98Å; L127-S129 VanDerWaalsContact C-N 3.3Å; L127-S129 PolarHBondContact O-N 3.06Å; L127-L130 HydrophobicContact CD2-CD1 4.02Å; L127-L130 WeakPolarHBondContact O-CB 3.42Å; L127-L130 PolarHBondContact O-N 3.08Å; L127-W176 HydrophobicContact CB-CH2 4.16Å; L127-W176 HydrophobicContact CB-CZ2 3.99Å; L127-W176 HydrophobicContact CD1-CD2 4.25Å; L127-W176 HydrophobicContact CD1-CG 4.41Å; L127-W176 HydrophobicContact CD1-CZ2 4.08Å; L127-W176 HydrophobicContact CD2-CD2 4.05Å; L127-W176 HydrophobicContact CD2-CE3 3.99Å; L127-W176 HydrophobicContact CD2-CH2 4.19Å; L127-W176 HydrophobicContact CD2-CZ2 4.26Å; L127-W176 HydrophobicContact CD2-CZ3 4.03Å; L127-W176 HydrophobicContact CG-CZ2 4.34Å
128	A	84	Confident	76.6	Confident	5 Å²	5	67.7 Å²	67.7	4%	0.041	35%	0.349	C	S	.	.	H	α-helix	trans	-62	-38.3	174	0	0	0	0	0	111.9	D124 E125 M126 L130 R131	D124-A128 WeakPolarHBondContact O-CB 3.31Å; D124-A128 PolarHBondContact O-N 3.26Å; E125-A128 PolarHBondContact O-N 2.78Å; M126-A128 PolarHBondContact O-N 2.61Å; A128-L130 VanDerWaalsContact C-N 3.31Å; A128-L130 PolarHBondContact O-N 3.33Å; A128-R131 WeakPolarHBondContact O-CB 3.01Å; A128-R131 PolarHBondContact O-N 3.28Å
129	S	84	Confident	76.2	Confident	49 Å²	49	66.6 Å²	66.6	34%	0.343	33%	0.33	S	S	.	.	H	α-helix	trans	-66.2	-31.4	176.9	81.9	0	0	0	0	113.2	E125 M126 L127 R131 Q132 T133	E125-S129 PolarHBondContact O-N 3.18Å; M126-S129 WeakPolarHBondContact O-CB 3.37Å; M126-S129 PolarHBondContact O-N 3.12Å; M126-S129 VanDerWaalsContact O-N 3.16Å; M126-S129 PolarHBondContact O-OG 3Å; L127-S129 VanDerWaalsContact C-N 3.3Å; L127-S129 PolarHBondContact O-N 3.06Å; S129-R131 PolarHBondContact O-N 3.16Å; S129-Q132 PolarHBondContact O-N 2.9Å; S129-T133 WeakPolarHBondContact O-CG2 3.32Å; S129-T133 PolarHBondContact O-N 2.87Å; S129-T133 PolarHBondContact O-OG1 3.03Å
130	L	84.3	Confident	76.1	Confident	5 Å²	5	68.6 Å²	68.6	3%	0.026	34%	0.34	C	S	.	.	H	α-helix	trans	-61.7	-29.6	176.4	-64.8	178.9	0	0	0	112.3	Y37 W77 I79 M126 L127 A128 K139 I141	Y37-L130 HydrophobicContact CD1-CB 4.04Å; Y37-L130 HydrophobicContact CE1-CB 4.37Å; Y37-L130 HydrophobicContact CG-CB 4.34Å; W77-L130 HydrophobicContact CH2-CD2 4.12Å; I79-L130 HydrophobicContact CD1-CD1 3.77Å; M126-L130 PolarHBondContact O-N 3.09Å; L127-L130 HydrophobicContact CD2-CD1 4.02Å; L127-L130 WeakPolarHBondContact O-CB 3.42Å; L127-L130 PolarHBondContact O-N 3.08Å; A128-L130 VanDerWaalsContact C-N 3.31Å; A128-L130 PolarHBondContact O-N 3.33Å; L130-K139 HydrophobicContact CD2-CD 3.59Å; L130-K139 HydrophobicContact CD2-CG 4.19Å; L130-K139 PolarHBondContact O-NZ 3.01Å; L130-I141 HydrophobicContact CD1-CD1 4.39Å; L130-I141 HydrophobicContact CD2-CD1 4.09Å
131	R	80.2	Confident	76.2	Confident	59 Å²	59	67.7 Å²	67.7	22%	0.223	33%	0.333	C	S	.	.	H	α-helix	trans	-81.8	-26.1	-179.8	-59.8	172.9	172.6	161	-6.6	113.8	Y37 D81 A128 S129 Y373	Y37-R131 HydrophobicContact CE1-CG 4.21Å; Y37-R131 WeakPolarHBondContact OH-CG 3.45Å; D81-R131 IonicContact OD2-CZ 3.23Å; D81-R131 IonicContact OD2-NE 3.3Å; D81-R131 IonicContact OD2-NH2 3.07Å; D81-R131 PolarHBondContact OD2-NH2 2.75Å; A128-R131 WeakPolarHBondContact O-CB 3.01Å; A128-R131 PolarHBondContact O-N 3.28Å; S129-R131 PolarHBondContact O-N 3.16Å; R131-Y373 HydrophobicContact CB-CE2 3.77Å; R131-Y373 HydrophobicContact CG-CE2 4.42Å
132	Q	73.1	Confident	76.4	Confident	107 Å²	107	68.3 Å²	68.3	50%	0.5	34%	0.335	S	S	.	.	H	α-helix	trans	-94	-25.5	-173.3	-70.3	176.9	22.1	0	0	113.6	S129 Y373 S375	S129-Q132 PolarHBondContact O-N 2.9Å; Q132-Y373 WeakPolarHBondContact CG-OH 3.44Å; Q132-S375 PolarHBondContact NE2-O 3.19Å
133	T	62	Low	76.5	Confident	49 Å²	49	64.7 Å²	64.7	30%	0.301	32%	0.317	S	S	.	.	S	Bend	trans	-80.8	133	-170.3	40.7	0	0	0	0	111.3	S129 H135 K139	S129-T133 WeakPolarHBondContact O-CG2 3.32Å; S129-T133 PolarHBondContact O-N 2.87Å; S129-T133 PolarHBondContact O-OG1 3.03Å; T133-H135 PolarHBondContact O-N 3.07Å; T133-K139 WeakPolarHBondContact OG1-CE 3.45Å
134	N	55.3	Low	76.5	Confident	140 Å²	140	72.7 Å²	72.7	75%	0.749	36%	0.36	S	S	*	.			trans	-54.7	138.2	161.5	-77.1	-26.6	0	0	0	108.7	R136 T137	N134-R136 PolarHBondContact O-N 2.9Å; N134-T137 PolarHBondContact O-N 2.79Å
135	H	56.1	Low	76.6	Confident	156 Å²	156	72.6 Å²	72.6	72%	0.722	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	2.5	-175.7	-64	-82.2	0	0	0	116.4	T133	T133-H135 PolarHBondContact O-N 3.07Å
136	R	53.7	Low	76.7	Confident	242 Å²	242	75.3 Å²	75.3	91%	0.913	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-16.6	-173.3	-68.1	-172.6	179.6	-175	0.2	115.6	N134	N134-R136 PolarHBondContact O-N 2.9Å
137	T	59.5	Low	76.7	Confident	83 Å²	83	74.3 Å²	74.3	51%	0.509	37%	0.365	S	S	.	.	S	Bend	trans	-86.5	125.7	178.1	45.6	0	0	0	0	110.5	N134 K139	N134-T137 PolarHBondContact O-N 2.79Å; T137-K139 PolarHBondContact O-N 2.81Å
138	S	60.5	Low	76.9	Confident	68 Å²	68	74.9 Å²	74.9	48%	0.476	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-58.5	128.4	173.5	-171.1	0	0	0	0	110	L72	L72-S138 WeakPolarHBondContact CG-OG 3.18Å
139	K	73.4	Confident	77.4	Confident	27 Å²	27	77.8 Å²	77.8	12%	0.117	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-103.3	127.2	-168.5	-78.6	165.9	175.7	-170.3	0	109.5	W77 L130 T133 T137	W77-K139 HydrophobicContact CH2-CB 4.24Å; W77-K139 HydrophobicContact CH2-CD 3.82Å; W77-K139 HydrophobicContact CZ2-CB 3.7Å; W77-K139 HydrophobicContact CZ2-CD 4.14Å; L130-K139 HydrophobicContact CD2-CD 3.59Å; L130-K139 HydrophobicContact CD2-CG 4.19Å; L130-K139 PolarHBondContact O-NZ 3.01Å; T133-K139 WeakPolarHBondContact OG1-CE 3.45Å; T137-K139 PolarHBondContact O-N 2.81Å
140	Q	79.1	Confident	77.9	Confident	111 Å²	111	80.7 Å²	80.7	52%	0.519	39%	0.386	S	S	.	.			trans	-96.8	115.5	175.1	-166.4	176.5	11.9	0	0	110.1	L72	L72-Q140 HydrophobicContact CD1-CB 4.32Å
141	I	87.5	Confident	78.3	Confident	3 Å²	3	80.6 Å²	80.6	2%	0.015	39%	0.386	C	S	.	.			trans	-93.1	126.9	173.9	-55.8	-59.3	0	0	0	109.4	W77 I79 M126 L130 W143 I148	W77-I141 HydrophobicContact CD2-CG1 4.3Å; W77-I141 HydrophobicContact CH2-CD1 4.39Å; W77-I141 HydrophobicContact CZ2-CD1 4.12Å; W77-I141 HydrophobicContact CZ2-CG1 3.93Å; I79-I141 HydrophobicContact CD1-CD1 3.84Å; I79-I141 HydrophobicContact CD1-CG1 4.28Å; M126-I141 HydrophobicContact CE-CD1 4.3Å; M126-I141 HydrophobicContact CE-CG2 4.14Å; M126-I141 HydrophobicContact CG-CD1 4.33Å; M126-I141 HydrophobicContact SD-CB 4.25Å; M126-I141 HydrophobicContact SD-CD1 3.87Å; M126-I141 HydrophobicContact SD-CG2 3.79Å; L130-I141 HydrophobicContact CD1-CD1 4.39Å; L130-I141 HydrophobicContact CD2-CD1 4.09Å; I141-W143 VanDerWaalsContact C-N 3.32Å; I141-W143 HydrophobicContact CB-CD2 4.12Å; I141-W143 HydrophobicContact CB-CH2 4.41Å; I141-W143 HydrophobicContact CB-CZ2 3.68Å; I141-W143 HydrophobicContact CG1-CZ2 3.95Å; I141-W143 HydrophobicContact CG2-CD2 3.52Å; I141-W143 VanDerWaalsContact CG2-CE2 3.41Å; I141-W143 HydrophobicContact CG2-CE3 3.82Å; I141-W143 HydrophobicContact CG2-CG 4.06Å; I141-W143 HydrophobicContact CG2-CH2 3.92Å; I141-W143 HydrophobicContact CG2-CZ2 3.62Å; I141-W143 HydrophobicContact CG2-CZ3 4.02Å; I141-W143 PolarHBondContact O-N 3.27Å; I141-W143 VanDerWaalsContact O-N 3.11Å; I141-I148 HydrophobicContact CG2-CD1 4.32Å
142	M	87.5	Confident	78.8	Confident	92 Å²	92	81.7 Å²	81.7	45%	0.453	39%	0.394	S	S	.	.			trans	-85.1	75	175.7	-65.7	-174.4	179.2	0	0	110.2	E122 N144 S145 I148	E122-M142 HydrophobicContact CG-SD 4.02Å; M142-N144 PolarHBondContact O-N 2.76Å; M142-S145 VanDerWaalsContact O-CB 3.23Å; M142-S145 WeakPolarHBondContact O-CB 3.32Å; M142-S145 PolarHBondContact O-N 3.43Å; M142-I148 WeakPolarHBondContact O-CD1 3.31Å
143	W	89.6	Confident	79.7	Confident	17 Å²	17	78 Å²	78	6%	0.064	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-20.4	-174.1	-61.5	104.9	0	0	0	115.7	W77 F113 I141 A178 R180	W77-W143 HydrophobicContact CB-CH2 3.91Å; W77-W143 HydrophobicContact CB-CZ2 3.87Å; W77-W143 AromaticContact CD1-CZ2 3.81Å; W77-W143 HydrophobicContact CG-CH2 4.2Å; W77-W143 AromaticContact CG-CZ2 3.83Å; W77-W143 HydrophobicContact CG-CZ2 3.83Å; F113-W143 HydrophobicContact CD2-CE3 4.01Å; F113-W143 AromaticContact CD2-CZ3 3.83Å; F113-W143 HydrophobicContact CD2-CZ3 3.83Å; F113-W143 AromaticContact CE2-CE3 3.92Å; F113-W143 HydrophobicContact CE2-CE3 3.92Å; F113-W143 HydrophobicContact CE2-CZ3 4.05Å; F113-W143 HydrophobicContact CG-CE3 4.4Å; F113-W143 HydrophobicContact CG-CZ3 4.42Å; F113-W143 HydrophobicContact CZ-CE3 4.25Å; I141-W143 VanDerWaalsContact C-N 3.32Å; I141-W143 HydrophobicContact CB-CD2 4.12Å; I141-W143 HydrophobicContact CB-CH2 4.41Å; I141-W143 HydrophobicContact CB-CZ2 3.68Å; I141-W143 HydrophobicContact CG1-CZ2 3.95Å; I141-W143 HydrophobicContact CG2-CD2 3.52Å; I141-W143 VanDerWaalsContact CG2-CE2 3.41Å; I141-W143 HydrophobicContact CG2-CE3 3.82Å; I141-W143 HydrophobicContact CG2-CG 4.06Å; I141-W143 HydrophobicContact CG2-CH2 3.92Å; I141-W143 HydrophobicContact CG2-CZ2 3.62Å; I141-W143 HydrophobicContact CG2-CZ3 4.02Å; I141-W143 PolarHBondContact O-N 3.27Å; I141-W143 VanDerWaalsContact O-N 3.11Å; W143-A178 HydrophobicContact CH2-CB 4.4Å; W143-A178 HydrophobicContact CZ3-CB 4Å; W143-R180 HydrophobicContact CH2-CB 3.91Å; W143-R180 HydrophobicContact CH2-CG 4.16Å; W143-R180 HydrophobicContact CZ2-CB 4.14Å; W143-R180 VanDerWaalsContact CZ2-CD 3.41Å; W143-R180 HydrophobicContact CZ2-CG 3.85Å; W143-R180 HydrophobicContact CZ3-CB 4.3Å
144	N	87.4	Confident	80.9	Confident	169 Å²	169	76.6 Å²	76.6	90%	0.904	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	3.9	176.8	-63.3	-24	0	0	0	113.3	M142	M142-N144 PolarHBondContact O-N 2.76Å
145	S	89.3	Confident	81.8	Confident	6 Å²	6	71.1 Å²	71.1	4%	0.042	35%	0.348	C	S	.	.	S	Bend	trans	-66.8	145.2	-179.2	-167.4	0	0	0	0	110.6	E122 T123 M142 G147 I148	E122-S145 PolarHBondContact OE2-OG 2.96Å; T123-S145 WeakPolarHBondContact OG1-CB 3.46Å; T123-S145 PolarHBondContact OG1-OG 2.85Å; M142-S145 VanDerWaalsContact O-CB 3.23Å; M142-S145 WeakPolarHBondContact O-CB 3.32Å; M142-S145 PolarHBondContact O-N 3.43Å; S145-G147 PolarHBondContact O-N 2.71Å; S145-G147 VanDerWaalsContact O-N 3.13Å; S145-I148 PolarHBondContact O-N 2.76Å
146	K	87.2	Confident	82.1	Confident	170 Å²	170	70.5 Å²	70.5	74%	0.739	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-30.2	-170.9	-172.4	-176.9	175	-166.9	0	113.8	I148	K146-I148 VanDerWaalsContact C-N 3.29Å; K146-I148 PolarHBondContact O-N 2.74Å
147	G	88	Confident	82.6	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-6.8	179.4	0	0	0	0	0	114.7	I115 Q116 T123 S145	I115-G147 WeakPolarHBondContact CA-O 3.48Å; I115-G147 WeakPolarHBondContact CG2-O 3.49Å; Q116-G147 PolarHBondContact N-O 2.81Å; T123-G147 PolarHBondContact OG1-N 2.94Å; S145-G147 PolarHBondContact O-N 2.71Å; S145-G147 VanDerWaalsContact O-N 3.13Å
148	I	93.9	Very high	82.3	Confident	14 Å²	14	62 Å²	62	7%	0.072	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	111.5	179.5	-55.2	-178.2	0	0	0	108.6	F113 I115 T123 M126 I141 M142 S145 K146	F113-I148 HydrophobicContact CB-CG2 3.85Å; F113-I148 HydrophobicContact CD1-CG2 3.78Å; F113-I148 HydrophobicContact CG-CG2 4.04Å; I115-I148 HydrophobicContact CD1-CD1 4.43Å; I115-I148 HydrophobicContact CD1-CG1 4.19Å; I115-I148 HydrophobicContact CG1-CG1 4.13Å; I115-I148 HydrophobicContact CG1-CG2 4.3Å; I115-I148 HydrophobicContact CG2-CG1 4.07Å; T123-I148 HydrophobicContact CG2-CD1 4.49Å; T123-I148 HydrophobicContact CG2-CG1 3.9Å; M126-I148 HydrophobicContact CE-CD1 4.02Å; I141-I148 HydrophobicContact CG2-CD1 4.32Å; M142-I148 WeakPolarHBondContact O-CD1 3.31Å; S145-I148 PolarHBondContact O-N 2.76Å; K146-I148 VanDerWaalsContact C-N 3.29Å; K146-I148 PolarHBondContact O-N 2.74Å
149	K	94	Very high	81.7	Confident	67 Å²	67	62.8 Å²	62.8	29%	0.291	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	123.4	-178.6	-65.6	175	-176.7	162.6	0	109.9	F113 L114 E119 C151 M172	F113-K149 CarbonylContact C-O 3.54Å; F113-K149 VanDerWaalsContact CA-O 3.23Å; F113-K149 WeakPolarHBondContact CA-O 3.45Å; L114-K149 PolarHBondContact N-O 3.42Å; L114-K149 PolarHBondContact O-N 2.86Å; E119-K149 VanDerWaalsContact CD-NZ 3.29Å; E119-K149 WeakPolarHBondContact OE1-CE 3.33Å; E119-K149 IonicContact OE1-NZ 2.71Å; E119-K149 PolarHBondContact OE1-NZ 3.26Å; E119-K149 WeakPolarHBondContact OE2-CE 3.47Å; E119-K149 IonicContact OE2-NZ 3.83Å; E119-K149 PolarHBondContact OE2-NZ 3.45Å; K149-C151 PolarHBondContact O-N 3.07Å; K149-M172 HydrophobicContact CB-SD 4.05Å
150	F	93.9	Very high	80.8	Confident	109 Å²	109	64.3 Å²	64.3	48%	0.478	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	125.1	172.6	179.7	-106.5	0	0	0	110.2	D111 F113	D111-F150 HydrophobicContact CB-CE2 4.09Å; F113-F150 HydrophobicContact CD1-CB 3.92Å; F113-F150 AromaticContact CD1-CD2 3.94Å; F113-F150 HydrophobicContact CD1-CD2 3.94Å; F113-F150 HydrophobicContact CD1-CG 4.44Å; F113-F150 HydrophobicContact CE1-CB 3.92Å; F113-F150 AromaticContact CE1-CD2 3.54Å; F113-F150 HydrophobicContact CE1-CD2 3.54Å; F113-F150 HydrophobicContact CE1-CG 4.2Å; F113-F150 HydrophobicContact CE2-CD2 4.49Å; F113-F150 AromaticContact CZ-CD2 3.83Å; F113-F150 HydrophobicContact CZ-CD2 3.83Å; F113-F150 HydrophobicContact CZ-CE2 4.44Å
151	C	92.7	Very high	80.1	Confident	4 Å²	4	61.1 Å²	61.1	3%	0.027	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-70.2	174.9	169.6	0	0	0	0	109.7	V112 K149 C168 P169 M172	V112-C151 HydrophobicContact CB-CB 4.4Å; V112-C151 HydrophobicContact CG1-CB 4.13Å; V112-C151 WeakPolarHBondContact O-CB 3.46Å; V112-C151 PolarHBondContact O-N 2.62Å; K149-C151 PolarHBondContact O-N 3.07Å; C151-C168 HydrophobicContact CB-CB 4.22Å; C151-C168 WeakPolarHBondContact CB-SG 3.37Å; C151-C168 WeakPolarHBondContact SG-CA 3.18Å; C151-C168 WeakPolarHBondContact SG-CB 3.46Å; C151-C168 CovalentContact SG-SG 2.05Å; C151-C168 PolarHBondContact SG-SG 3.37Å; C151-P169 WeakPolarHBondContact O-CD 3.19Å; C151-M172 HydrophobicContact CB-CE 3.5Å
152	Q	91.8	Very high	79.4	Confident	81 Å²	81	69.6 Å²	69.6	38%	0.379	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	166.4	-180	-152.8	-178.3	-3.4	0	0	109.2	V112 I166 E167	V112-Q152 WeakPolarHBondContact CA-O 3.49Å; V112-Q152 VanDerWaalsContact CB-O 3.3Å; V112-Q152 WeakPolarHBondContact CB-O 3.2Å; V112-Q152 PolarHBondContact N-O 2.96Å; V112-Q152 PolarHBondContact O-N 3.33Å; Q152-I166 HydrophobicContact CB-CG2 3.81Å; Q152-E167 VanDerWaalsContact OE1-N 3.11Å; Q152-E167 PolarHBondContact OE1-O 3Å
153	S	90.6	Very high	78.9	Confident	31 Å²	31	67 Å²	67	22%	0.217	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	145.3	164	-168.2	0	0	0	0	108.8	I110 D111 G155	I110-S153 CarbonylContact O-C 3.49Å; I110-S153 VanDerWaalsContact O-CA 3.27Å; I110-S153 WeakPolarHBondContact O-CA 3.31Å; I110-S153 PolarHBondContact O-OG 2.86Å; D111-S153 WeakPolarHBondContact OD1-CB 3.15Å; D111-S153 PolarHBondContact OD1-OG 2.93Å; S153-G155 PolarHBondContact O-N 3.21Å; S153-G155 VanDerWaalsContact O-N 3.14Å
154	T	87.2	Confident	78.6	Confident	18 Å²	18	66.2 Å²	66.2	11%	0.11	37%	0.368	C	S	.	.			trans	-62.5	-17	175.3	53.9	0	0	0	0	112.8	L94 L107 N109 I110 I157 A164 I166	L94-T154 HydrophobicContact CD1-CG2 4.4Å; L107-T154 WeakPolarHBondContact O-CB 3.25Å; L107-T154 PolarHBondContact O-OG1 3.28Å; N109-T154 PolarHBondContact N-OG1 2.93Å; I110-T154 HydrophobicContact CB-CG2 4.02Å; I110-T154 PolarHBondContact N-OG1 3.38Å; I110-T154 PolarHBondContact O-N 3.35Å; T154-I157 HydrophobicContact CG2-CD1 4.22Å; T154-I157 WeakPolarHBondContact O-CG1 3.48Å; T154-A164 HydrophobicContact CG2-CB 3.98Å; T154-I166 HydrophobicContact CG2-CD1 3.72Å; T154-I166 HydrophobicContact CG2-CG1 3.77Å
155	G	74.6	Confident	78.5	Confident	25 Å²	25	61.7 Å²	61.7	26%	0.258	35%	0.346	S	S	.	.			trans	58.9	-159	176.1	0	0	0	0	0	113.4	S108 N109 S153 I157	S108-G155 VanDerWaalsContact CA-O 3.31Å; S108-G155 WeakPolarHBondContact CA-O 3.11Å; S108-G155 WeakPolarHBondContact CB-O 2.96Å; N109-G155 PolarHBondContact N-O 2.86Å; N109-G155 VanDerWaalsContact N-O 3.16Å; S153-G155 PolarHBondContact O-N 3.21Å; S153-G155 VanDerWaalsContact O-N 3.14Å; G155-I157 PolarHBondContact O-N 2.79Å
156	N	62	Low	78.5	Confident	143 Å²	143	61.5 Å²	61.5	77%	0.765	35%	0.345	S	S	*	.	S	Bend	trans	-79.2	74.3	172.5	-76.8	-10.5	0	0	0	109.9	T158	N156-T158 PolarHBondContact O-N 2.86Å
157	I	64.2	Low	78.5	Confident	40 Å²	40	58.8 Å²	58.8	21%	0.205	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-54.2	126.4	164.8	-63.8	-170.3	0	0	0	108.2	L107 T154 G155 T161 A164	L107-I157 HydrophobicContact CB-CD1 3.97Å; T154-I157 HydrophobicContact CG2-CD1 4.22Å; T154-I157 WeakPolarHBondContact O-CG1 3.48Å; G155-I157 PolarHBondContact O-N 2.79Å; I157-T161 HydrophobicContact CG2-CG2 3.87Å; I157-T161 WeakPolarHBondContact CG2-OG1 3.34Å; I157-A164 HydrophobicContact CD1-CB 3.21Å
158	T	53.6	Low	78.6	Confident	107 Å²	107	58.8 Å²	58.8	66%	0.656	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-59.9	137.9	178.9	39.6	0	0	0	0	110.6	N156 G160	N156-T158 PolarHBondContact O-N 2.86Å; T158-G160 PolarHBondContact O-N 3.4Å; T158-G160 VanDerWaalsContact O-N 3.08Å
159	A	47.6	Very low	78.2	Confident	84 Å²	84	62.6 Å²	62.6	69%	0.694	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	116.6	175.6	0	0	0	0	0	110.1	A104	A104-A159 HydrophobicContact CB-CB 4.17Å
160	G	55	Low	77.9	Confident	59 Å²	59	66.5 Å²	66.5	61%	0.608	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	125.6	-4	176.2	0	0	0	0	0	116.3	T158	T158-G160 PolarHBondContact O-N 3.4Å; T158-G160 VanDerWaalsContact O-N 3.08Å
161	T	63.9	Low	77.4	Confident	45 Å²	45	64.8 Å²	64.8	28%	0.276	37%	0.373	S	S	.	.			trans	-77.9	132.4	174.3	64.3	0	0	0	0	110.6	I157 A163	I157-T161 HydrophobicContact CG2-CG2 3.87Å; I157-T161 WeakPolarHBondContact CG2-OG1 3.34Å; T161-A163 WeakPolarHBondContact CB-O 2.96Å; T161-A163 PolarHBondContact OG1-O 2.03Å
162	R	73.1	Confident	77.3	Confident	180 Å²	180	65.9 Å²	65.9	68%	0.679	38%	0.378	S	S	*	.	S	Bend	trans	-79.1	-9.9	173.2	-65.8	-177.8	178.6	179.8	-1.8	112.7	P96 F103 E546	P96-R162 VanDerWaalsContact CD-O 3.26Å; P96-R162 WeakPolarHBondContact CD-O 3.37Å; F103-R162 HydrophobicContact CE1-CB 4.48Å; F103-R162 HydrophobicContact CE1-CG 4.14Å; F103-R162 HydrophobicContact CZ-CB 4.1Å; F103-R162 HydrophobicContact CZ-CG 4.07Å; R162-E546 IonicContact NH2-OE1 3.64Å; R162-E546 PolarHBondContact NH2-OE1 3Å; R162-E546 VanDerWaalsContact NH2-OE1 3.13Å
163	A	78.1	Confident	77.1	Confident	37 Å²	37	64.2 Å²	64.2	31%	0.306	37%	0.372	S	S	.	.	S	Bend	trans	-153.9	148.9	-179.4	0	0	0	0	0	110.8	L94 T161 I190	L94-A163 CarbonylContact O-C 3.38Å; L94-A163 WeakPolarHBondContact O-CA 3.27Å; L94-A163 WeakPolarHBondContact O-CB 3.01Å; T161-A163 WeakPolarHBondContact CB-O 2.96Å; T161-A163 PolarHBondContact OG1-O 2.03Å; A163-I190 HydrophobicContact CB-CD1 3.7Å
164	A	83.2	Confident	77.2	Confident	2 Å²	2	62.7 Å²	62.7	2%	0.017	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	130.5	166.4	0	0	0	0	0	108.8	R93 L94 L107 T154 I157	R93-A164 CarbonylContact C-O 3.55Å; R93-A164 VanDerWaalsContact CA-O 3.28Å; R93-A164 WeakPolarHBondContact CA-O 3.47Å; L94-A164 HydrophobicContact CB-CB 4.32Å; L94-A164 PolarHBondContact N-O 2.65Å; L94-A164 PolarHBondContact O-N 2.71Å; L107-A164 HydrophobicContact CB-CB 4.24Å; L107-A164 HydrophobicContact CD1-CB 3.84Å; L107-A164 HydrophobicContact CG-CB 4.48Å; T154-A164 HydrophobicContact CG2-CB 3.98Å; I157-A164 HydrophobicContact CD1-CB 3.21Å
165	T	85.1	Confident	77.3	Confident	74 Å²	74	61.9 Å²	61.9	45%	0.454	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	120.2	166.5	-59.9	0	0	0	0	108.3	E91 R93 E167	E91-T165 VanDerWaalsContact CD-CG2 3.43Å; E91-T165 HydrophobicContact CG-CG2 3.48Å; E91-T165 VanDerWaalsContact CG-CG2 3.48Å; E91-T165 WeakPolarHBondContact OE1-CG2 3.33Å; R93-T165 HydrophobicContact CG-CG2 4.46Å; T165-E167 HydrophobicContact CG2-CG 4.48Å
166	I	88.3	Confident	78.3	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.005	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	123.1	176.5	-66.7	138.4	0	0	0	107.5	E91 I92 L94 V112 Q152 T154	E91-I166 CarbonylContact C-O 3.52Å; E91-I166 VanDerWaalsContact CA-O 3.26Å; E91-I166 WeakPolarHBondContact CA-O 3.46Å; I92-I166 HydrophobicContact CB-CB 4.3Å; I92-I166 HydrophobicContact CG2-CD1 4.4Å; I92-I166 PolarHBondContact N-O 2.83Å; I92-I166 PolarHBondContact O-N 3.2Å; L94-I166 HydrophobicContact CD1-CD1 3.55Å; L94-I166 HydrophobicContact CG-CD1 3.9Å; V112-I166 HydrophobicContact CB-CD1 4.49Å; V112-I166 HydrophobicContact CB-CG2 4.32Å; V112-I166 HydrophobicContact CG1-CG2 4.38Å; V112-I166 HydrophobicContact CG2-CD1 3.38Å; V112-I166 HydrophobicContact CG2-CG1 4.04Å; V112-I166 HydrophobicContact CG2-CG2 4.28Å; Q152-I166 HydrophobicContact CB-CG2 3.81Å; T154-I166 HydrophobicContact CG2-CD1 3.72Å; T154-I166 HydrophobicContact CG2-CG1 3.77Å
167	E	87.9	Confident	79.8	Confident	114 Å²	114	54 Å²	54	53%	0.533	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	112.3	176	-71.1	-177.4	-165.3	0	0	109.1	K90 Q152 T165	K90-E167 WeakPolarHBondContact O-CA 3.44Å; Q152-E167 VanDerWaalsContact OE1-N 3.11Å; Q152-E167 PolarHBondContact OE1-O 3Å; T165-E167 HydrophobicContact CG2-CG 4.48Å
168	C	89.3	Confident	81.4	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	134.9	174.7	-62.5	0	0	0	0	109.5	K90 C151 Q170 M172	K90-C168 PolarHBondContact NZ-O 3.38Å; K90-C168 PolarHBondContact O-N 2.82Å; C151-C168 HydrophobicContact CB-CB 4.22Å; C151-C168 WeakPolarHBondContact CB-SG 3.37Å; C151-C168 WeakPolarHBondContact SG-CA 3.18Å; C151-C168 WeakPolarHBondContact SG-CB 3.46Å; C151-C168 CovalentContact SG-SG 2.05Å; C151-C168 PolarHBondContact SG-SG 3.37Å; C168-Q170 WeakPolarHBondContact CB-O 3.17Å; C168-Q170 PolarHBondContact O-N 3.21Å; C168-Q170 VanDerWaalsContact O-N 3.13Å; C168-M172 HydrophobicContact CB-CE 3.45Å; C168-M172 VanDerWaalsContact CB-CE 3.45Å; C168-M172 WeakPolarHBondContact SG-CE 2.98Å
169	P	85.3	Confident	83.3	Confident	93 Å²	93	47 Å²	47	60%	0.604	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.8	-32	-172.9	21.7	-33.4	0	0	0	111.9	C151	C151-P169 WeakPolarHBondContact O-CD 3.19Å
170	Q	87.8	Confident	85.5	Confident	150 Å²	150	44.2 Å²	44.2	70%	0.701	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-130.6	160.1	172.9	-63.5	-179.7	-1.9	0	0	109.4	C168 M172	C168-Q170 WeakPolarHBondContact CB-O 3.17Å; C168-Q170 PolarHBondContact O-N 3.21Å; C168-Q170 VanDerWaalsContact O-N 3.13Å; Q170-M172 PolarHBondContact O-N 3.14Å
171	E	84.7	Confident	87.3	Confident	73 Å²	73	42.6 Å²	42.6	34%	0.341	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	126.5	169.9	-68.8	160.7	-136.6	0	0	108.7	H88 K90 K195	H88-E171 HydrophobicContact CB-CB 4.13Å; H88-E171 HydrophobicContact CB-CG 4.35Å; H88-E171 IonicContact CD2-OE2 2.76Å; H88-E171 PolarHBondContact CD2-OE2 3.31Å; H88-E171 VanDerWaalsContact CD2-OE2 3.23Å; H88-E171 IonicContact CG-OE2 3.55Å; K90-E171 HydrophobicContact CD-CG 4.39Å; E171-K195 HydrophobicContact CG-CB 4.37Å; E171-K195 HydrophobicContact CG-CD 4Å; E171-K195 WeakPolarHBondContact OE1-CD 3.43Å; E171-K195 VanDerWaalsContact OE1-CE 3.28Å; E171-K195 WeakPolarHBondContact OE1-CE 3.09Å; E171-K195 IonicContact OE1-NZ 2.65Å; E171-K195 PolarHBondContact OE1-NZ 3.42Å; E171-K195 VanDerWaalsContact OE1-NZ 3.07Å
172	M	89.3	Confident	88.6	Confident	26 Å²	26	44.5 Å²	44.5	13%	0.128	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	143.3	-176.2	-69.1	-167.9	-74.6	0	0	111.5	H88 I89 L114 K149 C151 C168 Q170	H88-M172 PolarHBondContact N-O 3.25Å; I89-M172 WeakPolarHBondContact CB-O 3.42Å; I89-M172 PolarHBondContact N-O 2.87Å; I89-M172 PolarHBondContact O-N 2.81Å; L114-M172 HydrophobicContact CB-CE 4.47Å; L114-M172 HydrophobicContact CD1-CB 3.68Å; L114-M172 HydrophobicContact CD1-CE 3.53Å; L114-M172 HydrophobicContact CD1-SD 4.36Å; L114-M172 HydrophobicContact CG-CE 4.2Å; K149-M172 HydrophobicContact CB-SD 4.05Å; C151-M172 HydrophobicContact CB-CE 3.5Å; C168-M172 HydrophobicContact CB-CE 3.45Å; C168-M172 VanDerWaalsContact CB-CE 3.45Å; C168-M172 WeakPolarHBondContact SG-CE 2.98Å; Q170-M172 PolarHBondContact O-N 3.14Å
173	D	89.1	Confident	89.4	Confident	46 Å²	46	39.8 Å²	39.8	25%	0.246	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	132	174.7	-60.5	-12.3	0	0	0	109.3	H85 L86 Q87 H88	H85-D173 WeakPolarHBondContact NE2-CB 3.33Å; L86-D173 CarbonylContact O-C 2.94Å; L86-D173 VanDerWaalsContact O-CA 3.3Å; L86-D173 WeakPolarHBondContact O-CA 3.07Å; Q87-D173 WeakPolarHBondContact CA-OD1 3.36Å; Q87-D173 WeakPolarHBondContact CB-OD1 3.19Å; H88-D173 PolarHBondContact N-OD1 3.38Å
174	A	91.7	Very high	89.9	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	151.1	178.6	0	0	0	0	0	112.8	L86 I89 L114 I115	L86-A174 WeakPolarHBondContact CB-O 3.44Å; L86-A174 PolarHBondContact N-O 2.75Å; L86-A174 PolarHBondContact O-N 3.12Å; I89-A174 HydrophobicContact CD1-CB 4.02Å; L114-A174 HydrophobicContact CB-CB 3.72Å; L114-A174 HydrophobicContact CD2-CB 4.16Å; L114-A174 HydrophobicContact CG-CB 4.35Å; I115-A174 WeakPolarHBondContact O-CB 3.32Å
175	K	90.1	Very high	90.2	Very high	1 Å²	1	40 Å²	40	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-21.9	170.2	176.1	171.4	176.9	170.9	0	111.5	D81 F82 I115 S401 L402 S405	D81-K175 WeakPolarHBondContact OD1-CE 3.11Å; F82-K175 WeakPolarHBondContact CB-O 3.13Å; F82-K175 WeakPolarHBondContact CD2-O 3.36Å; F82-K175 PolarHBondContact N-O 2.83Å; I115-K175 PolarHBondContact O-N 3.17Å; I115-K175 VanDerWaalsContact O-N 3.14Å; K175-S401 PolarHBondContact NZ-O 3.44Å; K175-S401 VanDerWaalsContact NZ-O 3.12Å; K175-L402 WeakPolarHBondContact CD-O 3.37Å; K175-L402 PolarHBondContact NZ-O 2.88Å; K175-S405 VanDerWaalsContact CE-OG 3.23Å; K175-S405 WeakPolarHBondContact CE-OG 3.32Å; K175-S405 PolarHBondContact NZ-OG 2.82Å
176	W	94.1	Very high	90.3	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.008	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	147.6	-177.3	-44.5	67.6	0	0	0	112.3	Y37 I79 I80 D81 I115 S117 L127	Y37-W176 AromaticContact CD2-CZ3 3.92Å; Y37-W176 HydrophobicContact CD2-CZ3 3.92Å; Y37-W176 HydrophobicContact CE2-CE3 4.41Å; Y37-W176 HydrophobicContact CE2-CH2 4.11Å; Y37-W176 AromaticContact CE2-CZ3 3.45Å; Y37-W176 HydrophobicContact CE2-CZ3 3.45Å; Y37-W176 VanDerWaalsContact CE2-CZ3 3.45Å; I79-W176 HydrophobicContact CG2-CE3 3.64Å; I79-W176 HydrophobicContact CG2-CZ3 4.12Å; I80-W176 CarbonylContact O-C 3.5Å; I80-W176 WeakPolarHBondContact O-CA 3.29Å; I80-W176 WeakPolarHBondContact O-CB 3.43Å; D81-W176 HydrophobicContact CB-CD2 3.88Å; D81-W176 HydrophobicContact CB-CE3 3.45Å; D81-W176 VanDerWaalsContact CB-CE3 3.45Å; D81-W176 HydrophobicContact CB-CH2 3.86Å; D81-W176 HydrophobicContact CB-CZ2 4.23Å; D81-W176 HydrophobicContact CB-CZ3 3.48Å; D81-W176 VanDerWaalsContact CB-CZ3 3.48Å; D81-W176 WeakPolarHBondContact OD2-CH2 3.02Å; D81-W176 WeakPolarHBondContact OD2-CZ2 3.23Å; I115-W176 HydrophobicContact CB-CB 4Å; I115-W176 HydrophobicContact CB-CG 4.48Å; I115-W176 HydrophobicContact CD1-CB 4.45Å; I115-W176 HydrophobicContact CG1-CB 4.38Å; I115-W176 PolarHBondContact N-O 2.92Å; I115-W176 PolarHBondContact O-N 2.85Å; S117-W176 PolarHBondContact OG-NE1 3.39Å; L127-W176 HydrophobicContact CB-CH2 4.16Å; L127-W176 HydrophobicContact CB-CZ2 3.99Å; L127-W176 HydrophobicContact CD1-CD2 4.25Å; L127-W176 HydrophobicContact CD1-CG 4.41Å; L127-W176 HydrophobicContact CD1-CZ2 4.08Å; L127-W176 HydrophobicContact CD2-CD2 4.05Å; L127-W176 HydrophobicContact CD2-CE3 3.99Å; L127-W176 HydrophobicContact CD2-CH2 4.19Å; L127-W176 HydrophobicContact CD2-CZ2 4.26Å; L127-W176 HydrophobicContact CD2-CZ3 4.03Å; L127-W176 HydrophobicContact CG-CZ2 4.34Å
177	L	95.5	Very high	90.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.6	170.3	168.3	63.5	0	0	0	108.4	I79 I80 F82 I92 V112 F113 L114 L179 L189 V192	I79-L177 CarbonylContact C-O 3.49Å; I79-L177 WeakPolarHBondContact CA-O 3.36Å; I80-L177 HydrophobicContact CB-CB 4.42Å; I80-L177 HydrophobicContact CD1-CD2 4.27Å; I80-L177 PolarHBondContact N-O 2.95Å; I80-L177 PolarHBondContact O-N 3.39Å; F82-L177 HydrophobicContact CE1-CB 4.32Å; F82-L177 HydrophobicContact CE2-CB 3.84Å; F82-L177 HydrophobicContact CZ-CB 3.45Å; F82-L177 VanDerWaalsContact CZ-CB 3.45Å; F82-L177 HydrophobicContact CZ-CD2 4.02Å; F82-L177 HydrophobicContact CZ-CG 4.38Å; I92-L177 HydrophobicContact CD1-CD1 3.75Å; I92-L177 HydrophobicContact CG2-CD2 4.19Å; V112-L177 HydrophobicContact CG1-CD1 3.68Å; F113-L177 WeakPolarHBondContact O-CD1 3.01Å; L114-L177 HydrophobicContact CD2-CB 4.32Å; L114-L177 HydrophobicContact CD2-CD1 3.91Å; L177-L179 HydrophobicContact CD1-CD2 4.17Å; L177-L179 HydrophobicContact CG-CG 4.46Å; L177-L189 HydrophobicContact CD2-CD1 4.06Å; L177-L189 HydrophobicContact CD2-CD2 3.94Å; L177-V192 HydrophobicContact CD2-CG2 4.22Å
178	A	95.7	Very high	90.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	135.1	175.5	0	0	0	0	0	110.5	L78 I79 F113 I115 W143	L78-A178 CarbonylContact O-C 3.56Å; L78-A178 WeakPolarHBondContact O-CA 3.34Å; I79-A178 HydrophobicContact CG1-CB 3.82Å; F113-A178 HydrophobicContact CB-CB 4.23Å; F113-A178 PolarHBondContact N-O 3.02Å; F113-A178 PolarHBondContact O-N 3.21Å; I115-A178 HydrophobicContact CD1-CB 4.04Å; I115-A178 HydrophobicContact CG1-CB 4.5Å; W143-A178 HydrophobicContact CH2-CB 4.4Å; W143-A178 HydrophobicContact CZ3-CB 4Å
179	L	95.2	Very high	89.9	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	135.1	-179.6	-59.2	173.7	0	0	0	107.9	W77 L78 L94 I110 D111 V112 L177 L185 I187	W77-L179 CarbonylContact C-O 3.56Å; W77-L179 WeakPolarHBondContact CA-O 3.38Å; W77-L179 VanDerWaalsContact CB-O 3.23Å; W77-L179 WeakPolarHBondContact CB-O 3.31Å; L78-L179 HydrophobicContact CD2-CD1 4.49Å; L78-L179 PolarHBondContact N-O 2.75Å; L78-L179 PolarHBondContact O-N 3.16Å; L94-L179 HydrophobicContact CD1-CD1 4.3Å; L94-L179 HydrophobicContact CD1-CD2 4.24Å; L94-L179 HydrophobicContact CD2-CD1 3.82Å; I110-L179 HydrophobicContact CG2-CB 4.21Å; I110-L179 HydrophobicContact CG2-CD2 4.33Å; D111-L179 CarbonylContact O-C 3.42Å; D111-L179 WeakPolarHBondContact O-CA 2.99Å; V112-L179 HydrophobicContact CB-CD2 3.94Å; V112-L179 HydrophobicContact CG1-CD2 3.79Å; V112-L179 HydrophobicContact CG2-CD2 3.41Å; V112-L179 VanDerWaalsContact CG2-CD2 3.41Å; L177-L179 HydrophobicContact CD1-CD2 4.17Å; L177-L179 HydrophobicContact CG-CG 4.46Å; L179-L185 HydrophobicContact CB-CD2 4.02Å; L179-I187 HydrophobicContact CB-CD1 4.21Å; L179-I187 HydrophobicContact CD1-CD1 3.24Å; L179-I187 HydrophobicContact CG-CD1 4.34Å
180	R	93.8	Very high	89.6	Confident	26 Å²	26	32 Å²	32	10%	0.098	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	143.5	-175.2	-172.9	-171.7	73.3	176	-4.2	111.8	Y75 H76 W77 D111 F113 W143	Y75-R180 HydrophobicContact CD1-CG 3.67Å; Y75-R180 HydrophobicContact CE1-CG 4.46Å; Y75-R180 HydrophobicContact CG-CG 3.76Å; H76-R180 CarbonylContact O-C 3.55Å; H76-R180 WeakPolarHBondContact O-CA 3.46Å; W77-R180 HydrophobicContact CB-CB 4.25Å; W77-R180 HydrophobicContact CB-CG 4.24Å; D111-R180 PolarHBondContact N-O 3.17Å; D111-R180 PolarHBondContact O-N 3.34Å; D111-R180 IonicContact OD2-CZ 3.67Å; D111-R180 IonicContact OD2-NE 2.67Å; D111-R180 IonicContact OD2-NH2 3.77Å; D111-R180 PolarHBondContact OD2-NH2 2.87Å; F113-R180 HydrophobicContact CE2-CB 4.2Å; W143-R180 HydrophobicContact CH2-CB 3.91Å; W143-R180 HydrophobicContact CH2-CG 4.16Å; W143-R180 HydrophobicContact CZ2-CB 4.14Å; W143-R180 VanDerWaalsContact CZ2-CD 3.41Å; W143-R180 HydrophobicContact CZ2-CG 3.85Å; W143-R180 HydrophobicContact CZ3-CB 4.3Å
181	R	92.4	Very high	89.3	Confident	25 Å²	25	25.4 Å²	25.4	9%	0.094	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	157.9	173.3	-172.9	177.4	169	168.4	-1.3	110.5	Y75 H76 K106 S108 D183 L185	Y75-R181 WeakPolarHBondContact CA-O 3.25Å; H76-R181 PolarHBondContact N-O 3.12Å; H76-R181 PolarHBondContact O-N 3.25Å; K106-R181 PolarHBondContact O-NH1 3.12Å; S108-R181 PolarHBondContact O-NH1 3.25Å; R181-D183 HydrophobicContact CG-CB 4.49Å; R181-D183 IonicContact CZ-OD2 3.42Å; R181-D183 IonicContact NE-OD2 3.19Å; R181-D183 PolarHBondContact NE-OD2 3.45Å; R181-D183 IonicContact NH2-OD2 2.79Å; R181-D183 PolarHBondContact NH2-OD2 2.69Å; R181-L185 HydrophobicContact CB-CD1 4.06Å
182	T	91.2	Very high	89.4	Confident	84 Å²	84	22 Å²	22	52%	0.515	12%	0.116	S	C	.	.	S	Bend	trans	-80	-29.1	174.2	50.4	0	0	0	0	113.6	Y75	Y75-T182 HydrophobicContact CD1-CG2 3.84Å; Y75-T182 HydrophobicContact CE1-CG2 3.54Å
183	D	88.8	Confident	89.2	Confident	82 Å²	82	22 Å²	22	44%	0.439	12%	0.115	S	C	.	.	S	Bend	trans	-93.8	176.5	169.4	-41.6	-50.5	0	0	0	110.2	H76 R181 L185	H76-D183 WeakPolarHBondContact CB-O 3.02Å; H76-D183 PolarHBondContact CD2-O 3.24Å; R181-D183 HydrophobicContact CG-CB 4.49Å; R181-D183 IonicContact CZ-OD2 3.42Å; R181-D183 IonicContact NE-OD2 3.19Å; R181-D183 PolarHBondContact NE-OD2 3.45Å; R181-D183 IonicContact NH2-OD2 2.79Å; R181-D183 PolarHBondContact NH2-OD2 2.69Å; D183-L185 PolarHBondContact O-N 2.96Å
184	E	89.4	Confident	89	Confident	43 Å²	43	20 Å²	20	20%	0.201	10%	0.104	C	C	.	.			trans	-48.8	136.8	174.8	67.5	176.6	163.3	0	0	112.4	Q64 T65 P67 K106	Q64-E184 PolarHBondContact NE2-OE2 3.3Å; T65-E184 WeakPolarHBondContact OG1-CA 3.49Å; P67-E184 HydrophobicContact CB-CB 4.2Å; P67-E184 HydrophobicContact CG-CB 3.92Å; P67-E184 HydrophobicContact CG-CG 4.48Å; P67-E184 WeakPolarHBondContact CG-OE2 3.1Å; K106-E184 WeakPolarHBondContact CE-OE1 3.44Å; K106-E184 IonicContact NZ-OE1 2.67Å; K106-E184 PolarHBondContact NZ-OE1 3.39Å; K106-E184 IonicContact NZ-OE2 3.13Å
185	L	89.6	Confident	88.3	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.112	C	C	.	.			trans	-98.4	119	174.4	-164.4	66	0	0	0	108.4	F63 Q64 T65 H76 L78 I110 L179 R181 D183 I187	F63-L185 HydrophobicContact CE1-CB 4.29Å; F63-L185 HydrophobicContact CE1-CD2 4.06Å; F63-L185 HydrophobicContact CE1-CG 4.35Å; Q64-L185 WeakPolarHBondContact CA-O 3.5Å; T65-L185 HydrophobicContact CG2-CB 4Å; T65-L185 PolarHBondContact N-O 3.49Å; T65-L185 PolarHBondContact OG1-N 3.39Å; T65-L185 PolarHBondContact OG1-O 3.34Å; H76-L185 HydrophobicContact CB-CB 4.21Å; L78-L185 HydrophobicContact CB-CD2 3.93Å; I110-L185 HydrophobicContact CD1-CD1 3.81Å; I110-L185 HydrophobicContact CG1-CD1 3.85Å; I110-L185 HydrophobicContact CG2-CD1 3.94Å; L179-L185 HydrophobicContact CB-CD2 4.02Å; R181-L185 HydrophobicContact CB-CD1 4.06Å; D183-L185 PolarHBondContact O-N 2.96Å; L185-I187 HydrophobicContact CD1-CD1 4.36Å; L185-I187 HydrophobicContact CD1-CG2 4.04Å; L185-I187 HydrophobicContact CD2-CD1 3.73Å; L185-I187 HydrophobicContact CD2-CG1 4.34Å; L185-I187 HydrophobicContact CG-CD1 3.89Å; L185-I187 HydrophobicContact CG-CG1 4.03Å; L185-I187 HydrophobicContact CG-CG2 4.25Å
186	E	87.4	Confident	87.2	Confident	2 Å²	2	26.6 Å²	26.6	1%	0.009	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	104.7	175.7	-178.4	-178.5	-163	0	0	109.2	F63 Q64 N97 H100 K106	F63-E186 CarbonylContact O-C 3.51Å; F63-E186 VanDerWaalsContact O-CA 3.24Å; F63-E186 WeakPolarHBondContact O-CA 3.05Å; Q64-E186 HydrophobicContact CB-CB 4.47Å; Q64-E186 HydrophobicContact CB-CG 4.28Å; Q64-E186 HydrophobicContact CG-CB 4.32Å; Q64-E186 HydrophobicContact CG-CG 4.42Å; N97-E186 HydrophobicContact CB-CG 3.91Å; N97-E186 WeakPolarHBondContact CB-OE1 3.11Å; N97-E186 PolarHBondContact ND2-OE1 3.19Å; H100-E186 WeakPolarHBondContact CB-OE1 3.49Å; H100-E186 WeakPolarHBondContact CB-OE2 3.23Å; H100-E186 VanDerWaalsContact CD2-CD 3.43Å; H100-E186 IonicContact CD2-OE1 3.78Å; H100-E186 PolarHBondContact CD2-OE1 3.26Å; H100-E186 VanDerWaalsContact CD2-OE1 3.3Å; H100-E186 IonicContact CD2-OE2 2.62Å; H100-E186 PolarHBondContact CD2-OE2 3.27Å; H100-E186 IonicContact CE1-OE2 3.17Å; H100-E186 IonicContact CG-OE1 3.73Å; H100-E186 IonicContact CG-OE2 3.03Å; H100-E186 IonicContact ND1-OE2 2.99Å; H100-E186 IonicContact NE2-OE2 3.45Å; K106-E186 HydrophobicContact CD-CB 4.28Å; K106-E186 WeakPolarHBondContact CD-OE2 3.44Å; K106-E186 IonicContact NZ-OE2 2.93Å; K106-E186 PolarHBondContact NZ-OE2 3.5Å
187	I	86.8	Confident	85.3	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	143.9	-166.2	54.2	169.6	0	0	0	112.5	C62 F63 L78 L107 I110 L179 L185	C62-I187 WeakPolarHBondContact CB-O 3.16Å; F63-I187 HydrophobicContact CD1-CD1 4.37Å; F63-I187 HydrophobicContact CD1-CG1 3.88Å; F63-I187 PolarHBondContact N-O 3.33Å; F63-I187 PolarHBondContact O-N 3.46Å; L78-I187 HydrophobicContact CB-CD1 4.34Å; L78-I187 HydrophobicContact CD2-CD1 3.6Å; L78-I187 HydrophobicContact CD2-CG1 4.25Å; L107-I187 HydrophobicContact CD2-CG2 4.07Å; I110-I187 HydrophobicContact CD1-CG2 3.69Å; L179-I187 HydrophobicContact CB-CD1 4.21Å; L179-I187 HydrophobicContact CD1-CD1 3.24Å; L179-I187 HydrophobicContact CG-CD1 4.34Å; L185-I187 HydrophobicContact CD1-CD1 4.36Å; L185-I187 HydrophobicContact CD1-CG2 4.04Å; L185-I187 HydrophobicContact CD2-CD1 3.73Å; L185-I187 HydrophobicContact CD2-CG1 4.34Å; L185-I187 HydrophobicContact CG-CD1 3.89Å; L185-I187 HydrophobicContact CG-CG1 4.03Å; L185-I187 HydrophobicContact CG-CG2 4.25Å
188	C	84.5	Confident	83.1	Confident	19 Å²	19	32.2 Å²	32.2	13%	0.128	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.4	160.8	-81.1	0	0	0	0	107.9	C62 L94 A95 I190	C62-C188 WeakPolarHBondContact CA-SG 3.41Å; C62-C188 HydrophobicContact CB-CB 4.21Å; C62-C188 WeakPolarHBondContact CB-SG 3.11Å; C62-C188 WeakPolarHBondContact SG-CB 3.35Å; C62-C188 CovalentContact SG-SG 2.04Å; C62-C188 PolarHBondContact SG-SG 3.01Å; L94-C188 CarbonylContact C-O 3.51Å; L94-C188 WeakPolarHBondContact CA-O 3.49Å; A95-C188 HydrophobicContact CB-CB 4.13Å; A95-C188 PolarHBondContact N-O 2.84Å; A95-C188 PolarHBondContact O-N 3.03Å; C188-I190 PolarHBondContact O-N 2.77Å
189	L	85.2	Confident	81.2	Confident	10 Å²	10	34.2 Å²	34.2	5%	0.052	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	109.4	170.2	178.1	62.8	0	0	0	107.9	I31 S50 I51 I80 I92 L94 L177 V192	I31-L189 HydrophobicContact CD1-CB 4.25Å; I31-L189 HydrophobicContact CD1-CD2 3.5Å; I31-L189 HydrophobicContact CD1-CG 3.58Å; S50-L189 VanDerWaalsContact O-CB 3.29Å; S50-L189 WeakPolarHBondContact O-CB 3.34Å; S50-L189 PolarHBondContact O-N 2.86Å; I51-L189 HydrophobicContact CG2-CD2 4.23Å; I80-L189 HydrophobicContact CD1-CB 4.48Å; I80-L189 HydrophobicContact CD1-CD2 3.52Å; I92-L189 HydrophobicContact CG2-CD1 3.84Å; L94-L189 HydrophobicContact CD2-CD1 3.66Å; L177-L189 HydrophobicContact CD2-CD1 4.06Å; L177-L189 HydrophobicContact CD2-CD2 3.94Å; L189-V192 HydrophobicContact CD1-CG2 4.11Å; L189-V192 HydrophobicContact CD2-CG2 4.04Å; L189-V192 HydrophobicContact CG-CG2 4.48Å
190	I	79.4	Confident	79.5	Confident	84 Å²	84	35.5 Å²	35.5	43%	0.431	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	-49.6	-177.7	-52.7	177.3	0	0	0	109.9	R93 A95 A163 C188	R93-I190 HydrophobicContact CB-CB 3.98Å; R93-I190 HydrophobicContact CB-CD1 4.27Å; R93-I190 WeakPolarHBondContact O-CB 3.42Å; R93-I190 PolarHBondContact O-N 3.08Å; A95-I190 HydrophobicContact CB-CD1 3.59Å; A95-I190 HydrophobicContact CB-CG1 3.73Å; A163-I190 HydrophobicContact CB-CD1 3.7Å; C188-I190 PolarHBondContact O-N 2.77Å
191	S	81.3	Confident	78.8	Confident	11 Å²	11	34.3 Å²	34.3	8%	0.077	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168	150	-172.8	56.3	0	0	0	0	111.9	R93 Y193	R93-S191 PolarHBondContact N-O 3.29Å; R93-S191 PolarHBondContact O-N 2.92Å; S191-Y193 WeakPolarHBondContact OG-CE2 3.46Å; S191-Y193 PolarHBondContact OG-OH 3.02Å
192	V	86.4	Confident	78.4	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	126.6	168.7	-179.8	0	0	0	0	107.9	V29 I31 F82 I89 I92 L177 L189	V29-V192 PolarHBondContact N-O 3.24Å; I31-V192 HydrophobicContact CG2-CB 4.27Å; I31-V192 HydrophobicContact CG2-CG2 4.01Å; F82-V192 HydrophobicContact CE1-CG2 3.98Å; F82-V192 HydrophobicContact CZ-CG1 4.32Å; F82-V192 HydrophobicContact CZ-CG2 3.84Å; I89-V192 HydrophobicContact CG1-CG1 4.48Å; I89-V192 HydrophobicContact CG2-CG1 3.95Å; I92-V192 HydrophobicContact CG1-CG1 4.4Å; L177-V192 HydrophobicContact CD2-CG2 4.22Å; L189-V192 HydrophobicContact CD1-CG2 4.11Å; L189-V192 HydrophobicContact CD2-CG2 4.04Å; L189-V192 HydrophobicContact CG-CG2 4.48Å
193	Y	85	Confident	78.2	Confident	26 Å²	26	31.1 Å²	31.1	10%	0.102	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	135.8	-178.7	-62	-80.9	0	0	0	112.1	L26 F27 A28 K90 E91 R93 S191 S474	L26-Y193 HydrophobicContact CB-CD1 4.13Å; L26-Y193 HydrophobicContact CB-CG 4.39Å; F27-Y193 CarbonylContact O-C 3.54Å; F27-Y193 VanDerWaalsContact O-CA 3.23Å; F27-Y193 WeakPolarHBondContact O-CA 3.29Å; A28-Y193 HydrophobicContact CB-CD1 4.07Å; A28-Y193 HydrophobicContact CB-CE1 3.82Å; K90-Y193 PolarHBondContact N-O 2.76Å; E91-Y193 HydrophobicContact CB-CD2 4.1Å; E91-Y193 HydrophobicContact CB-CG 4.5Å; E91-Y193 HydrophobicContact CG-CD2 3.99Å; E91-Y193 PolarHBondContact N-O 3.24Å; E91-Y193 PolarHBondContact O-N 3.16Å; R93-Y193 HydrophobicContact CG-CE2 3.9Å; R93-Y193 PolarHBondContact NH1-OH 2.87Å; S191-Y193 WeakPolarHBondContact OG-CE2 3.46Å; S191-Y193 PolarHBondContact OG-OH 3.02Å; Y193-S474 WeakPolarHBondContact CD1-OG 3.33Å; Y193-S474 WeakPolarHBondContact CE1-OG 3.24Å
194	V	84.8	Confident	78.2	Confident	4 Å²	4	32.3 Å²	32.3	2%	0.024	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	144.7	170.8	-58.4	0	0	0	0	109.8	L26 F27 V29 Q87 H88 I89 A197	L26-V194 CarbonylContact C-O 3.57Å; L26-V194 WeakPolarHBondContact CA-O 3.14Å; F27-V194 HydrophobicContact CB-CG2 3.79Å; F27-V194 WeakPolarHBondContact CD2-O 3.28Å; F27-V194 PolarHBondContact N-O 3.08Å; F27-V194 PolarHBondContact O-N 3.16Å; V29-V194 HydrophobicContact CG2-CG1 3.8Å; V29-V194 HydrophobicContact CG2-CG2 4.23Å; Q87-V194 WeakPolarHBondContact O-CB 3.35Å; Q87-V194 VanDerWaalsContact O-CG1 3.25Å; Q87-V194 WeakPolarHBondContact O-CG1 3.26Å; H88-V194 CarbonylContact O-C 3.59Å; H88-V194 VanDerWaalsContact O-CA 3.24Å; H88-V194 WeakPolarHBondContact O-CA 3.49Å; I89-V194 HydrophobicContact CG1-CG1 4.03Å; V194-A197 HydrophobicContact CG2-CB 4.22Å
195	K	77.2	Confident	78.1	Confident	39 Å²	39	31.3 Å²	31.3	17%	0.17	15%	0.147	C	C	.	.	S	Bend	trans	-80.8	-28.3	-178.4	-171.3	-163.6	159.7	143.4	0	113.7	D24 E25 L26 H88 K90 E171	D24-K195 HydrophobicContact CB-CD 4.16Å; D24-K195 HydrophobicContact CB-CG 3.75Å; D24-K195 VanDerWaalsContact CG-NZ 3.26Å; D24-K195 WeakPolarHBondContact OD1-CE 3.29Å; D24-K195 IonicContact OD1-NZ 2.66Å; D24-K195 PolarHBondContact OD1-NZ 3.23Å; D24-K195 WeakPolarHBondContact OD2-CE 3.4Å; D24-K195 IonicContact OD2-NZ 3.92Å; D24-K195 PolarHBondContact OD2-NZ 3.06Å; E25-K195 CarbonylContact O-C 3.53Å; L26-K195 HydrophobicContact CD2-CB 4.33Å; H88-K195 PolarHBondContact O-N 3.32Å; K90-K195 HydrophobicContact CB-CB 4.17Å; E171-K195 HydrophobicContact CG-CB 4.37Å; E171-K195 HydrophobicContact CG-CD 4Å; E171-K195 WeakPolarHBondContact OE1-CD 3.43Å; E171-K195 VanDerWaalsContact OE1-CE 3.28Å; E171-K195 WeakPolarHBondContact OE1-CE 3.09Å; E171-K195 IonicContact OE1-NZ 2.65Å; E171-K195 PolarHBondContact OE1-NZ 3.42Å; E171-K195 VanDerWaalsContact OE1-NZ 3.07Å
196	K	67.6	Low	77.8	Confident	101 Å²	101	32.8 Å²	32.8	44%	0.439	16%	0.158	S	C	.	.			trans	-135.5	102.9	172.6	-73.5	-178.8	179.2	176.2	0	106.1	Y198	K196-Y198 HydrophobicContact CB-CD2 3.65Å; K196-Y198 HydrophobicContact CB-CE2 3.41Å; K196-Y198 VanDerWaalsContact CB-CE2 3.41Å; K196-Y198 HydrophobicContact CD-CE2 3.61Å; K196-Y198 HydrophobicContact CG-CE2 4.16Å; K196-Y198 PolarHBondContact O-N 2.76Å
197	A	54.8	Low	77.5	Confident	16 Å²	16	37.6 Å²	37.6	13%	0.132	19%	0.188	C	C	.	.			trans	-68.4	86.3	155	0	0	0	0	0	105.9	F27 V194 E199 E200 T471	F27-A197 HydrophobicContact CB-CB 4Å; F27-A197 HydrophobicContact CD1-CB 3.92Å; F27-A197 HydrophobicContact CD2-CB 4.05Å; F27-A197 HydrophobicContact CG-CB 3.71Å; V194-A197 HydrophobicContact CG2-CB 4.22Å; A197-E199 PolarHBondContact O-N 2.88Å; A197-E200 HydrophobicContact CB-CG 3.62Å; A197-T471 HydrophobicContact CB-CG2 4Å; A197-T471 WeakPolarHBondContact CB-OG1 3.36Å
198	Y	47.7	Very low	77.4	Confident	104 Å²	104	43.9 Å²	43.9	41%	0.408	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	124.2	166.4	-76.2	-97.1	0	0	0	105.9	H88 K196	H88-Y198 AromaticContact CE1-CD2 3.32Å; H88-Y198 WeakPolarHBondContact CE1-CD2 3.23Å; H88-Y198 AromaticContact CE1-CE2 2.89Å; H88-Y198 WeakPolarHBondContact CE1-CE2 3.43Å; H88-Y198 AromaticContact CE1-CZ 3.78Å; H88-Y198 AromaticContact CG-CE2 3.97Å; H88-Y198 AromaticContact ND1-CD2 3.34Å; H88-Y198 VanDerWaalsContact ND1-CD2 3.34Å; H88-Y198 WeakPolarHBondContact ND1-CD2 3.43Å; H88-Y198 AromaticContact ND1-CE2 3.18Å; H88-Y198 WeakPolarHBondContact ND1-CE2 3.44Å; H88-Y198 AromaticContact NE2-CE2 3.44Å; H88-Y198 WeakPolarHBondContact NE2-CE2 3.31Å; K196-Y198 HydrophobicContact CB-CD2 3.65Å; K196-Y198 HydrophobicContact CB-CE2 3.41Å; K196-Y198 VanDerWaalsContact CB-CE2 3.41Å; K196-Y198 HydrophobicContact CD-CE2 3.61Å; K196-Y198 HydrophobicContact CG-CE2 4.16Å; K196-Y198 PolarHBondContact O-N 2.76Å
199	E	56.1	Low	77.3	Confident	43 Å²	43	44.5 Å²	44.5	20%	0.201	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	42.3	171.2	-47.6	169.8	156.3	0	0	115.5	A197 C201 N464 S465 I468	A197-E199 PolarHBondContact O-N 2.88Å; E199-C201 PolarHBondContact O-N 3.41Å; E199-N464 VanDerWaalsContact OE1-C 3.27Å; E199-N464 WeakPolarHBondContact OE1-CA 2.99Å; E199-N464 WeakPolarHBondContact OE1-CB 3.44Å; E199-N464 PolarHBondContact OE1-N 2.79Å; E199-S465 VanDerWaalsContact CD-OG 3.27Å; E199-S465 WeakPolarHBondContact OE1-CB 3.45Å; E199-S465 PolarHBondContact OE1-N 2.01Å; E199-S465 PolarHBondContact OE1-OG 3.05Å; E199-S465 VanDerWaalsContact OE2-CB 3.22Å; E199-S465 WeakPolarHBondContact OE2-CB 3Å; E199-S465 PolarHBondContact OE2-OG 2.93Å; E199-I468 HydrophobicContact CB-CD1 3.83Å; E199-I468 HydrophobicContact CB-CG1 3.82Å; E199-I468 HydrophobicContact CB-CG2 4.42Å; E199-I468 WeakPolarHBondContact O-CG2 3.2Å
200	E	61	Low	77.2	Confident	27 Å²	27	48.1 Å²	48.1	13%	0.126	24%	0.235	C	C	.	.			trans	-43.7	137.2	166	-70.9	-159.5	112.6	0	0	111.9	F27 A197 F202 R233 K298 E473	F27-E200 VanDerWaalsContact CD1-CD 3.45Å; F27-E200 HydrophobicContact CD1-CG 4.16Å; F27-E200 WeakPolarHBondContact CD1-OE1 3.46Å; F27-E200 HydrophobicContact CE1-CG 4.08Å; F27-E200 WeakPolarHBondContact CE1-OE1 3.47Å; F27-E200 WeakPolarHBondContact CE1-OE2 3.46Å; A197-E200 HydrophobicContact CB-CG 3.62Å; E200-F202 PolarHBondContact O-N 2.98Å; E200-R233 IonicContact OE1-NH1 2.74Å; E200-R233 PolarHBondContact OE1-NH1 3.15Å; E200-R233 IonicContact OE2-CZ 3.46Å; E200-R233 IonicContact OE2-NH1 2.61Å; E200-R233 PolarHBondContact OE2-NH1 3.17Å; E200-K298 WeakPolarHBondContact O-CE 3.1Å; E200-K298 PolarHBondContact O-NZ 3.29Å; E200-E473 PolarHBondContact OE1-N 3.13Å
201	C	77.6	Confident	77.5	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	-59.4	-22.6	169.5	-68.8	0	0	0	0	111.6	E199 L296 N297 K298 C299	E199-C201 PolarHBondContact O-N 3.41Å; C201-L296 VanDerWaalsContact O-O 3.14Å; C201-N297 WeakPolarHBondContact CB-OD1 2.98Å; C201-N297 CarbonylContact O-C 3.58Å; C201-N297 VanDerWaalsContact O-CA 3.31Å; C201-N297 WeakPolarHBondContact O-CA 3.37Å; C201-K298 WeakPolarHBondContact O-CG 3Å; C201-K298 PolarHBondContact O-N 2.86Å; C201-C299 WeakPolarHBondContact CA-SG 3.45Å; C201-C299 HydrophobicContact CB-CB 3.63Å; C201-C299 WeakPolarHBondContact CB-SG 3.23Å; C201-C299 WeakPolarHBondContact SG-CB 3.32Å; C201-C299 CovalentContact SG-SG 2.02Å; C201-C299 PolarHBondContact SG-SG 3.34Å
202	F	85.6	Confident	77.5	Confident	9 Å²	9	54.8 Å²	54.8	4%	0.039	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	125.9	-177.3	-65	-85.7	0	0	0	111.9	E200 R233 C236 S237 I245 E295 L296 N297	E200-F202 PolarHBondContact O-N 2.98Å; F202-R233 HydrophobicContact CD1-CG 4.06Å; F202-R233 HydrophobicContact CD2-CB 4.1Å; F202-R233 HydrophobicContact CD2-CG 3.89Å; F202-R233 HydrophobicContact CE1-CB 4.42Å; F202-R233 HydrophobicContact CE1-CG 4.1Å; F202-R233 HydrophobicContact CE2-CB 3.71Å; F202-R233 HydrophobicContact CE2-CG 3.94Å; F202-R233 HydrophobicContact CG-CG 3.96Å; F202-R233 HydrophobicContact CZ-CB 3.9Å; F202-R233 HydrophobicContact CZ-CG 4.06Å; F202-C236 HydrophobicContact CE1-CB 4.16Å; F202-C236 HydrophobicContact CZ-CB 3.9Å; F202-S237 WeakPolarHBondContact CE2-OG 3.38Å; F202-I245 HydrophobicContact CD1-CD1 4.49Å; F202-I245 HydrophobicContact CD1-CG1 4.43Å; F202-I245 HydrophobicContact CE1-CD1 4.41Å; F202-I245 HydrophobicContact CE1-CG1 4.35Å; F202-I245 HydrophobicContact CE1-CG2 4.33Å; F202-E295 HydrophobicContact CB-CB 4.46Å; F202-E295 HydrophobicContact CD1-CB 4.21Å; F202-L296 CarbonylContact C-O 3.58Å; F202-L296 VanDerWaalsContact CA-O 3.28Å; F202-L296 WeakPolarHBondContact CA-O 3.3Å; F202-N297 HydrophobicContact CD1-CB 4.16Å; F202-N297 HydrophobicContact CE1-CB 3.76Å; F202-N297 HydrophobicContact CZ-CB 4.2Å
203	I	86.1	Confident	77.4	Confident	34 Å²	34	55 Å²	55	17%	0.174	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	128	170.3	-62.2	171.4	0	0	0	107.5	Y205 E209 E295 L296 K298 V461	I203-Y205 PolarHBondContact O-N 2.87Å; I203-E209 HydrophobicContact CG2-CG 3.94Å; I203-E295 CarbonylContact O-C 3.48Å; I203-E295 VanDerWaalsContact O-CA 3.26Å; I203-E295 WeakPolarHBondContact O-CA 3.43Å; I203-L296 PolarHBondContact N-O 2.94Å; I203-L296 PolarHBondContact O-N 3.44Å; I203-K298 HydrophobicContact CD1-CB 4.12Å; I203-K298 HydrophobicContact CD1-CD 3.5Å; I203-K298 HydrophobicContact CD1-CG 4.42Å; I203-K298 HydrophobicContact CG1-CD 3.93Å; I203-V461 HydrophobicContact CD1-CG1 4.23Å
204	Q	87.9	Confident	77.3	Confident	106 Å²	106	55.1 Å²	55.1	50%	0.495	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	126.9	171.7	-173.6	178.1	-1.9	0	0	109.9	S206 E209	Q204-S206 PolarHBondContact O-N 3.34Å; Q204-E209 WeakPolarHBondContact O-CG 3.44Å
205	Y	88.1	Confident	77.2	Confident	22 Å²	22	55.8 Å²	55.8	9%	0.086	27%	0.271	C	S	.	.			trans	-74.1	73.6	173.9	-172.9	-112.5	0	0	0	110.1	I203 E209 Q210 W213 L216 I294 L296	I203-Y205 PolarHBondContact O-N 2.87Å; Y205-E209 HydrophobicContact CD2-CB 3.95Å; Y205-E209 HydrophobicContact CE2-CB 4.44Å; Y205-Q210 HydrophobicContact CD1-CG 4.13Å; Y205-Q210 HydrophobicContact CE1-CG 3.58Å; Y205-Q210 HydrophobicContact CE2-CG 4.25Å; Y205-W213 HydrophobicContact CE2-CB 4.42Å; Y205-W213 PolarHBondContact OH-O 2.76Å; Y205-L216 HydrophobicContact CD1-CD2 3.81Å; Y205-L216 HydrophobicContact CD2-CD2 4.21Å; Y205-L216 HydrophobicContact CE1-CB 3.89Å; Y205-L216 HydrophobicContact CE1-CD2 3.9Å; Y205-L216 HydrophobicContact CE2-CB 4.14Å; Y205-L216 HydrophobicContact CE2-CD2 4.29Å; Y205-L216 HydrophobicContact CG-CD2 3.95Å; Y205-L216 WeakPolarHBondContact OH-CB 3.26Å; Y205-I294 WeakPolarHBondContact CB-O 3.44Å; Y205-I294 PolarHBondContact N-O 3.24Å; Y205-L296 HydrophobicContact CD2-CD1 4.01Å; Y205-L296 HydrophobicContact CD2-CG 4.44Å
206	S	84.3	Confident	77.7	Confident	31 Å²	31	54.1 Å²	54.1	22%	0.217	26%	0.264	C	S	.	.			trans	-83	-179.8	-173.3	75.5	0	0	0	0	111.9	Q204 E208 E209 Q210	Q204-S206 PolarHBondContact O-N 3.34Å; S206-E208 PolarHBondContact O-N 3.26Å; S206-E208 PolarHBondContact OG-N 3.26Å; S206-E209 PolarHBondContact O-N 3.15Å; S206-E209 PolarHBondContact OG-N 2.87Å; S206-Q210 WeakPolarHBondContact O-CB 3.42Å; S206-Q210 VanDerWaalsContact O-CG 3.23Å; S206-Q210 WeakPolarHBondContact O-CG 3.38Å; S206-Q210 PolarHBondContact O-N 2.02Å
207	T	80.7	Confident	78.8	Confident	104 Å²	104	49.5 Å²	49.5	64%	0.638	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-22.4	172.5	51.3	0	0	0	0	113	K211	T207-K211 WeakPolarHBondContact O-CG 3.22Å
208	E	83.6	Confident	80.4	Confident	132 Å²	132	48.9 Å²	48.9	62%	0.617	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-47.2	174.5	-64	178.3	172.5	0	0	110.4	S206 Q210 K211	S206-E208 PolarHBondContact O-N 3.26Å; S206-E208 PolarHBondContact OG-N 3.26Å; E208-Q210 VanDerWaalsContact C-N 3.29Å; E208-Q210 PolarHBondContact O-N 2.67Å; E208-K211 WeakPolarHBondContact O-CB 3.48Å; E208-K211 PolarHBondContact O-N 2.04Å
209	E	83.5	Confident	82.4	Confident	31 Å²	31	48.3 Å²	48.3	15%	0.145	24%	0.241	C	C	.	.	H	α-helix	trans	-63.1	-36.1	175.4	-64.6	-56.4	156.1	0	0	112.1	I203 Q204 Y205 S206 K211 I212 W213	I203-E209 HydrophobicContact CG2-CG 3.94Å; Q204-E209 WeakPolarHBondContact O-CG 3.44Å; Y205-E209 HydrophobicContact CD2-CB 3.95Å; Y205-E209 HydrophobicContact CE2-CB 4.44Å; S206-E209 PolarHBondContact O-N 3.15Å; S206-E209 PolarHBondContact OG-N 2.87Å; E209-K211 PolarHBondContact O-N 2.88Å; E209-I212 WeakPolarHBondContact O-CA 3.36Å; E209-I212 WeakPolarHBondContact O-CB 3.44Å; E209-I212 PolarHBondContact O-N 2.9Å; E209-W213 PolarHBondContact O-N 3.32Å; E209-W213 WeakPolarHBondContact OE2-CZ3 3.47Å
210	Q	83.6	Confident	84	Confident	87 Å²	87	49.4 Å²	49.4	41%	0.407	25%	0.252	S	S	.	.	H	α-helix	trans	-64	-19.5	173.9	-73.9	169.7	22.8	0	0	113.6	Y205 S206 E208 W213 P214	Y205-Q210 HydrophobicContact CD1-CG 4.13Å; Y205-Q210 HydrophobicContact CE1-CG 3.58Å; Y205-Q210 HydrophobicContact CE2-CG 4.25Å; S206-Q210 WeakPolarHBondContact O-CB 3.42Å; S206-Q210 VanDerWaalsContact O-CG 3.23Å; S206-Q210 WeakPolarHBondContact O-CG 3.38Å; S206-Q210 PolarHBondContact O-N 2.02Å; E208-Q210 VanDerWaalsContact C-N 3.29Å; E208-Q210 PolarHBondContact O-N 2.67Å; Q210-W213 WeakPolarHBondContact CA-O 3.17Å; Q210-W213 CarbonylContact O-C 3.58Å; Q210-P214 WeakPolarHBondContact O-CA 3.33Å
211	K	83.9	Confident	85.5	Confident	168 Å²	168	51.1 Å²	51.1	73%	0.73	26%	0.259	S	S	*	.	H	α-helix	trans	-76.3	-29.7	170.5	-65.6	167	-173.6	171.3	0	111.7	T207 E208 E209	T207-K211 WeakPolarHBondContact O-CG 3.22Å; E208-K211 WeakPolarHBondContact O-CB 3.48Å; E208-K211 PolarHBondContact O-N 2.04Å; E209-K211 PolarHBondContact O-N 2.88Å
212	I	81.8	Confident	86.1	Confident	66 Å²	66	52.9 Å²	52.9	34%	0.338	27%	0.271	S	S	.	.	H	α-helix	trans	-82.3	-46.1	-179.3	-56.4	177.6	0	0	0	109.9	E209 K457	E209-I212 WeakPolarHBondContact O-CA 3.36Å; E209-I212 WeakPolarHBondContact O-CB 3.44Å; E209-I212 PolarHBondContact O-N 2.9Å; I212-K457 HydrophobicContact CG2-CB 4.49Å; I212-K457 HydrophobicContact CG2-CD 3.84Å; I212-K457 PolarHBondContact O-NZ 3.35Å
213	W	85.2	Confident	86.3	Confident	4 Å²	4	58.1 Å²	58.1	2%	0.015	29%	0.294	C	S	.	.			trans	-126.6	91.8	178.4	-56.7	-60.2	0	0	0	109	Y205 E209 Q210 S215 L264 S265 L296 K457 L458 V461	Y205-W213 HydrophobicContact CE2-CB 4.42Å; Y205-W213 PolarHBondContact OH-O 2.76Å; E209-W213 PolarHBondContact O-N 3.32Å; E209-W213 WeakPolarHBondContact OE2-CZ3 3.47Å; Q210-W213 WeakPolarHBondContact CA-O 3.17Å; Q210-W213 CarbonylContact O-C 3.58Å; W213-S215 VanDerWaalsContact C-N 3.26Å; W213-S215 PolarHBondContact O-N 2.98Å; W213-L264 HydrophobicContact CB-CB 4.23Å; W213-L264 HydrophobicContact CB-CD2 4.08Å; W213-L264 HydrophobicContact CD2-CB 4.24Å; W213-L264 HydrophobicContact CD2-CD1 3.98Å; W213-L264 HydrophobicContact CD2-CD2 4.01Å; W213-L264 HydrophobicContact CD2-CG 4.32Å; W213-L264 HydrophobicContact CE3-CD1 4.27Å; W213-L264 HydrophobicContact CE3-CD2 4.11Å; W213-L264 HydrophobicContact CG-CB 3.79Å; W213-L264 HydrophobicContact CG-CD1 4.42Å; W213-L264 HydrophobicContact CG-CD2 4Å; W213-L264 HydrophobicContact CG-CG 4.3Å; W213-L264 HydrophobicContact CH2-CD1 4.49Å; W213-L264 HydrophobicContact CZ2-CD1 4.22Å; W213-L264 HydrophobicContact CZ3-CD1 4.49Å; W213-S265 CarbonylContact C-O 3.58Å; W213-S265 WeakPolarHBondContact CA-O 3.48Å; W213-L296 HydrophobicContact CE3-CD1 4.38Å; W213-L296 HydrophobicContact CZ3-CD1 4.33Å; W213-K457 HydrophobicContact CZ2-CB 4.26Å; W213-L458 HydrophobicContact CH2-CD2 3.7Å; W213-L458 HydrophobicContact CZ2-CD2 3.57Å; W213-L458 HydrophobicContact CZ2-CG 4.26Å; W213-V461 HydrophobicContact CH2-CG2 4.23Å
214	P	82.5	Confident	86.4	Confident	29 Å²	29	59.7 Å²	59.7	19%	0.188	30%	0.302	C	S	.	.	S	Bend	trans	-66.9	-22.2	-178.1	23	-36	0	0	0	115.2	Q210 S265 E266 H268	Q210-P214 WeakPolarHBondContact O-CA 3.33Å; P214-S265 WeakPolarHBondContact CD-O 3.48Å; P214-E266 WeakPolarHBondContact CG-O 3.34Å; P214-H268 WeakPolarHBondContact CB-CE1 3.43Å; P214-H268 WeakPolarHBondContact CB-ND1 3.15Å
215	S	82.7	Confident	86.4	Confident	19 Å²	19	62.7 Å²	62.7	13%	0.133	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	135.1	177.4	51	0	0	0	0	111.8	W213 S265 D267	W213-S215 VanDerWaalsContact C-N 3.26Å; W213-S215 PolarHBondContact O-N 2.98Å; S215-S265 PolarHBondContact O-N 3.33Å; S215-S265 WeakPolarHBondContact OG-CB 3.18Å; S215-S265 PolarHBondContact OG-OG 3.13Å; S215-D267 PolarHBondContact OG-O 3.07Å
216	L	88.2	Confident	86.2	Confident	3 Å²	3	68.5 Å²	68.5	2%	0.016	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	127.7	-177.9	175.4	69.9	0	0	0	108.5	Y205 V262 L264 L285 I294 L296	Y205-L216 HydrophobicContact CD1-CD2 3.81Å; Y205-L216 HydrophobicContact CD2-CD2 4.21Å; Y205-L216 HydrophobicContact CE1-CB 3.89Å; Y205-L216 HydrophobicContact CE1-CD2 3.9Å; Y205-L216 HydrophobicContact CE2-CB 4.14Å; Y205-L216 HydrophobicContact CE2-CD2 4.29Å; Y205-L216 HydrophobicContact CG-CD2 3.95Å; Y205-L216 WeakPolarHBondContact OH-CB 3.26Å; L216-V262 HydrophobicContact CD1-CG1 3.54Å; L216-L264 HydrophobicContact CD1-CD2 3.49Å; L216-L264 VanDerWaalsContact CD1-CD2 3.49Å; L216-L264 HydrophobicContact CD1-CG 4.41Å; L216-L285 HydrophobicContact CD1-CD1 4.48Å; L216-L285 HydrophobicContact CD2-CB 4.06Å; L216-L285 HydrophobicContact CD2-CD1 4.09Å; L216-L285 HydrophobicContact CG-CB 4.09Å; L216-L285 HydrophobicContact CG-CD1 3.93Å; L216-L285 PolarHBondContact O-N 2.67Å; L216-I294 HydrophobicContact CD2-CD1 4.37Å; L216-I294 HydrophobicContact CD2-CG2 3.69Å; L216-L296 HydrophobicContact CD1-CD2 3.75Å; L216-L296 HydrophobicContact CD2-CD2 3.95Å
217	S	89.1	Confident	86.1	Confident	5 Å²	5	68.9 Å²	68.9	4%	0.035	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	158.9	173.9	58.1	0	0	0	0	111.5	V262 I263 S283	S217-V262 CarbonylContact O-C 3.4Å; S217-V262 VanDerWaalsContact O-CA 3.25Å; S217-V262 WeakPolarHBondContact O-CA 3.46Å; S217-I263 PolarHBondContact N-O 2.79Å; S217-I263 PolarHBondContact O-N 2.84Å; S217-S283 CarbonylContact C-O 3.56Å; S217-S283 WeakPolarHBondContact CA-O 3.44Å; S217-S283 WeakPolarHBondContact CB-O 3.47Å
218	G	88.9	Confident	86.2	Confident	2 Å²	2	65.4 Å²	65.4	2%	0.021	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.8	175	178.5	0	0	0	0	0	111.7	S283	G218-S283 PolarHBondContact N-O 3.25Å
219	Q	90.2	Very high	86.1	Confident	93 Å²	93	60.3 Å²	60.3	44%	0.435	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	115.3	-178.7	-65.1	-172.5	-6.2	0	0	110.9	F221 I259 R260	Q219-F221 PolarHBondContact O-N 3.07Å; Q219-I259 WeakPolarHBondContact O-CA 3.49Å; Q219-R260 HydrophobicContact CB-CG 4.29Å; Q219-R260 PolarHBondContact N-O 3.29Å; Q219-R260 PolarHBondContact O-N 3.22Å
220	P	90.6	Very high	85.8	Confident	66 Å²	66	59.9 Å²	59.9	43%	0.429	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	129.1	166.8	-19.8	32.2	0	0	0	109.9	Q258	P220-Q258 WeakPolarHBondContact CA-O 3.49Å
221	F	91.3	Very high	85.5	Confident	62 Å²	62	57.5 Å²	57.5	27%	0.272	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	-15.1	179.8	74.7	-88.9	0	0	0	113.5	Q219 N239 C242 Q258 R260	Q219-F221 PolarHBondContact O-N 3.07Å; F221-N239 WeakPolarHBondContact CE2-ND2 3.5Å; F221-N239 VanDerWaalsContact CZ-ND2 3.31Å; F221-N239 WeakPolarHBondContact CZ-ND2 3.44Å; F221-C242 HydrophobicContact CE1-CB 4.27Å; F221-C242 HydrophobicContact CZ-CB 4.09Å; F221-Q258 HydrophobicContact CD1-CB 4.48Å; F221-Q258 VanDerWaalsContact CD1-O 3.29Å; F221-Q258 WeakPolarHBondContact CD1-O 3.49Å; F221-Q258 HydrophobicContact CE1-CB 3.76Å; F221-Q258 HydrophobicContact CE2-CB 4.44Å; F221-Q258 HydrophobicContact CZ-CB 3.73Å; F221-Q258 PolarHBondContact N-O 3.46Å; F221-R260 HydrophobicContact CB-CG 4.32Å; F221-R260 HydrophobicContact CD1-CB 3.66Å; F221-R260 HydrophobicContact CD1-CG 3.65Å; F221-R260 HydrophobicContact CE1-CB 3.9Å; F221-R260 HydrophobicContact CE1-CG 4.38Å; F221-R260 HydrophobicContact CG-CG 4.24Å
222	S	89.9	Confident	85.5	Confident	37 Å²	37	49.5 Å²	49.5	26%	0.259	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	139.4	171.2	-177.8	0	0	0	0	109.5	E257 Q258	S222-E257 WeakPolarHBondContact O-CA 3.02Å; S222-Q258 PolarHBondContact O-N 3.28Å
223	F	89.5	Confident	85.7	Confident	120 Å²	120	46.8 Å²	46.8	53%	0.526	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	120.6	-176.5	177.7	-87.4	0	0	0	109.1	R225 V255 C256 E257	F223-R225 HydrophobicContact CD1-CG 4.33Å; F223-R225 HydrophobicContact CE1-CG 3.45Å; F223-R225 VanDerWaalsContact CE1-CG 3.45Å; F223-R225 HydrophobicContact CZ-CG 3.94Å; F223-V255 HydrophobicContact CD2-CG1 3.99Å; F223-V255 HydrophobicContact CE1-CG1 4.24Å; F223-V255 HydrophobicContact CE2-CG1 3.2Å; F223-V255 HydrophobicContact CZ-CG1 3.34Å; F223-C256 WeakPolarHBondContact CA-O 3.41Å; F223-E257 HydrophobicContact CD2-CG 3.61Å; F223-E257 HydrophobicContact CE2-CG 4.22Å
224	I	88.2	Confident	85.4	Confident	66 Å²	66	47.9 Å²	47.9	34%	0.338	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	128.4	-174.9	-51.8	174.4	0	0	0	108.9	L227 V255 C256	I224-L227 HydrophobicContact CB-CD2 4.38Å; I224-L227 HydrophobicContact CD1-CD2 4.49Å; I224-L227 HydrophobicContact CG2-CB 4.3Å; I224-L227 HydrophobicContact CG2-CD2 4.17Å; I224-V255 WeakPolarHBondContact O-CA 3.42Å; I224-C256 HydrophobicContact CB-CB 4.46Å; I224-C256 PolarHBondContact N-O 2.94Å; I224-C256 PolarHBondContact O-N 2.87Å
225	R	87.8	Confident	85.4	Confident	170 Å²	170	47.8 Å²	47.8	64%	0.642	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	160.8	177.2	-61.2	-172.3	-70.8	-176	-0.9	111.1	F223 L227 G254 V255	F223-R225 HydrophobicContact CD1-CG 4.33Å; F223-R225 HydrophobicContact CE1-CG 3.45Å; F223-R225 VanDerWaalsContact CE1-CG 3.45Å; F223-R225 HydrophobicContact CZ-CG 3.94Å; R225-L227 PolarHBondContact O-N 3.24Å; R225-G254 CarbonylContact C-O 3.55Å; R225-V255 HydrophobicContact CG-CG2 4.26Å
226	H	85.7	Confident	85.7	Confident	143 Å²	143	46.9 Å²	46.9	66%	0.662	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	60.8	25.4	176.6	-52.9	-66.3	0	0	0	114.7	G254	H226-G254 WeakPolarHBondContact CA-O 3.04Å; H226-G254 PolarHBondContact N-O 2.81Å
227	L	81.3	Confident	85.5	Confident	39 Å²	39	47 Å²	47	20%	0.204	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	146.3	179.7	-159.1	66.2	0	0	0	110.2	I224 R225 A231 C232 Y247 T253 G254 C256	I224-L227 HydrophobicContact CB-CD2 4.38Å; I224-L227 HydrophobicContact CD1-CD2 4.49Å; I224-L227 HydrophobicContact CG2-CB 4.3Å; I224-L227 HydrophobicContact CG2-CD2 4.17Å; R225-L227 PolarHBondContact O-N 3.24Å; L227-A231 HydrophobicContact CD1-CB 3.46Å; L227-A231 VanDerWaalsContact CD1-CB 3.46Å; L227-A231 HydrophobicContact CD2-CB 4.24Å; L227-A231 HydrophobicContact CG-CB 3.69Å; L227-C232 VanDerWaalsContact CD2-CA 3.49Å; L227-C232 HydrophobicContact CD2-CB 3.88Å; L227-Y247 WeakPolarHBondContact O-CE2 3.12Å; L227-Y247 PolarHBondContact O-OH 3.12Å; L227-T253 CarbonylContact O-C 3.55Å; L227-G254 PolarHBondContact N-O 3.28Å; L227-G254 VanDerWaalsContact N-O 3.13Å; L227-G254 PolarHBondContact O-N 3.14Å; L227-C256 HydrophobicContact CB-CB 4.4Å; L227-C256 HydrophobicContact CD2-CB 3.86Å
228	S	81.9	Confident	85.1	Confident	32 Å²	32	51.8 Å²	51.8	22%	0.224	27%	0.271	C	S	.	.			trans	-73	160	165	58.6	0	0	0	0	110.6	S230 A231 C232	S228-S230 WeakPolarHBondContact CB-OG 3.19Å; S228-S230 PolarHBondContact O-N 3.47Å; S228-S230 PolarHBondContact OG-OG 3.2Å; S228-A231 PolarHBondContact O-N 2.81Å; S228-A231 PolarHBondContact OG-N 2.88Å; S228-C232 PolarHBondContact O-N 3.43Å
229	K	82.7	Confident	85.1	Confident	24 Å²	24	53.9 Å²	53.9	10%	0.104	28%	0.282	C	S	.	.	H	α-helix	trans	-56.3	-38.4	172.6	-173.4	177.4	66	161.6	0	111.5	C232 R233 Y247 M293 E295 E473	K229-C232 VanDerWaalsContact O-CB 3.28Å; K229-C232 WeakPolarHBondContact O-CB 3.27Å; K229-C232 PolarHBondContact O-N 3.19Å; K229-R233 PolarHBondContact O-N 2.88Å; K229-Y247 HydrophobicContact CB-CD1 4.11Å; K229-Y247 HydrophobicContact CB-CD2 4.33Å; K229-Y247 HydrophobicContact CB-CE1 3.95Å; K229-Y247 HydrophobicContact CB-CE2 4.17Å; K229-Y247 HydrophobicContact CB-CG 4.29Å; K229-Y247 HydrophobicContact CG-CD1 4.28Å; K229-Y247 HydrophobicContact CG-CG 4.3Å; K229-Y247 PolarHBondContact N-OH 3.16Å; K229-M293 HydrophobicContact CD-SD 3.44Å; K229-M293 WeakPolarHBondContact CD-SD 3.49Å; K229-E295 IonicContact NZ-OE1 2.79Å; K229-E473 WeakPolarHBondContact CE-OE1 3.46Å; K229-E473 WeakPolarHBondContact CE-OE2 3.25Å; K229-E473 IonicContact NZ-OE1 3.14Å; K229-E473 PolarHBondContact NZ-OE1 3.12Å; K229-E473 IonicContact NZ-OE2 3.68Å; K229-E473 PolarHBondContact NZ-OE2 2.98Å
230	S	76.5	Confident	85	Confident	23 Å²	23	51.5 Å²	51.5	16%	0.161	27%	0.27	C	S	.	.	H	α-helix	trans	-58.2	-53.3	178.1	61	0	0	0	0	114.1	S228 C232 R233 A234 E473	S228-S230 WeakPolarHBondContact CB-OG 3.19Å; S228-S230 PolarHBondContact O-N 3.47Å; S228-S230 PolarHBondContact OG-OG 3.2Å; S230-C232 PolarHBondContact O-N 3.3Å; S230-R233 WeakPolarHBondContact O-CB 3.45Å; S230-R233 PolarHBondContact O-N 3.19Å; S230-A234 PolarHBondContact O-N 2.02Å; S230-E473 WeakPolarHBondContact CA-O 3.37Å; S230-E473 WeakPolarHBondContact CB-O 3.28Å
231	A	77	Confident	85	Confident	36 Å²	36	52.6 Å²	52.6	30%	0.298	27%	0.272	S	S	.	.	H	α-helix	trans	-69	-27.4	179.3	0	0	0	0	0	111.4	L227 S228 A234 G235	L227-A231 HydrophobicContact CD1-CB 3.46Å; L227-A231 VanDerWaalsContact CD1-CB 3.46Å; L227-A231 HydrophobicContact CD2-CB 4.24Å; L227-A231 HydrophobicContact CG-CB 3.69Å; S228-A231 PolarHBondContact O-N 2.81Å; S228-A231 PolarHBondContact OG-N 2.88Å; A231-A234 PolarHBondContact O-N 3.32Å; A231-G235 PolarHBondContact O-N 2.77Å
232	C	85.5	Confident	85.1	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.6	-47.8	170.7	-173.7	0	0	0	0	111.9	L227 S228 K229 S230 C236 I245 Y247 C256	L227-C232 VanDerWaalsContact CD2-CA 3.49Å; L227-C232 HydrophobicContact CD2-CB 3.88Å; S228-C232 PolarHBondContact O-N 3.43Å; K229-C232 VanDerWaalsContact O-CB 3.28Å; K229-C232 WeakPolarHBondContact O-CB 3.27Å; K229-C232 PolarHBondContact O-N 3.19Å; S230-C232 PolarHBondContact O-N 3.3Å; C232-C236 WeakPolarHBondContact O-CB 2.79Å; C232-C236 PolarHBondContact O-N 2.93Å; C232-C236 VanDerWaalsContact O-N 3.07Å; C232-I245 HydrophobicContact CB-CD1 4.33Å; C232-Y247 HydrophobicContact CB-CD2 4.31Å; C232-C256 VanDerWaalsContact CA-SG 3.53Å; C232-C256 HydrophobicContact CB-CB 3.62Å; C232-C256 WeakPolarHBondContact CB-SG 3.23Å; C232-C256 WeakPolarHBondContact SG-CB 3.44Å; C232-C256 CovalentContact SG-SG 2.02Å; C232-C256 PolarHBondContact SG-SG 3.34Å
233	R	84.9	Confident	85.3	Confident	9 Å²	9	48.5 Å²	48.5	3%	0.034	25%	0.25	C	C	.	.	H	α-helix	trans	-60.1	-45.2	173.4	-72.3	-176.4	178.2	-168.5	4.7	111.3	E200 F202 K229 S230 G235 C236 S237 I245 E295 T472 E473	E200-R233 IonicContact OE1-NH1 2.74Å; E200-R233 PolarHBondContact OE1-NH1 3.15Å; E200-R233 IonicContact OE2-CZ 3.46Å; E200-R233 IonicContact OE2-NH1 2.61Å; E200-R233 PolarHBondContact OE2-NH1 3.17Å; F202-R233 HydrophobicContact CD1-CG 4.06Å; F202-R233 HydrophobicContact CD2-CB 4.1Å; F202-R233 HydrophobicContact CD2-CG 3.89Å; F202-R233 HydrophobicContact CE1-CB 4.42Å; F202-R233 HydrophobicContact CE1-CG 4.1Å; F202-R233 HydrophobicContact CE2-CB 3.71Å; F202-R233 HydrophobicContact CE2-CG 3.94Å; F202-R233 HydrophobicContact CG-CG 3.96Å; F202-R233 HydrophobicContact CZ-CB 3.9Å; F202-R233 HydrophobicContact CZ-CG 4.06Å; K229-R233 PolarHBondContact O-N 2.88Å; S230-R233 WeakPolarHBondContact O-CB 3.45Å; S230-R233 PolarHBondContact O-N 3.19Å; R233-G235 PolarHBondContact O-N 3.29Å; R233-C236 CarbonylContact O-C 3.46Å; R233-C236 WeakPolarHBondContact O-CA 3.07Å; R233-C236 WeakPolarHBondContact O-CB 3.21Å; R233-C236 PolarHBondContact O-N 3.38Å; R233-S237 PolarHBondContact O-N 2.8Å; R233-S237 PolarHBondContact O-OG 3.29Å; R233-I245 HydrophobicContact CG-CD1 3.68Å; R233-E295 IonicContact CZ-OE1 2.85Å; R233-E295 IonicContact CZ-OE2 3.63Å; R233-E295 IonicContact NE-OE1 3.38Å; R233-E295 IonicContact NE-OE2 3.42Å; R233-E295 PolarHBondContact NE-OE2 3.06Å; R233-E295 IonicContact NH2-OE1 2.98Å; R233-E295 PolarHBondContact NH2-OE1 3.28Å; R233-E295 IonicContact NH2-OE2 3.51Å; R233-E295 PolarHBondContact NH2-OE2 3.14Å; R233-T472 HydrophobicContact CB-CG2 4.31Å; R233-E473 IonicContact CZ-OE2 3.62Å; R233-E473 IonicContact NE-OE2 3.58Å; R233-E473 IonicContact NH1-OE2 2.61Å; R233-E473 PolarHBondContact NH1-OE2 2.96Å; R233-E473 VanDerWaalsContact NH1-OE2 3.09Å; R233-E473 IonicContact NH2-OE2 3.32Å; R233-E473 PolarHBondContact NH2-OE2 3.18Å
234	A	78.2	Confident	85.5	Confident	28 Å²	28	42.8 Å²	42.8	23%	0.231	23%	0.225	C	C	.	.	H	α-helix	trans	-56.9	-51	178.5	0	0	0	0	0	112.9	S230 A231 C236 S237 I238 T472	S230-A234 PolarHBondContact O-N 2.02Å; A231-A234 PolarHBondContact O-N 3.32Å; A234-C236 PolarHBondContact O-N 3Å; A234-S237 PolarHBondContact O-N 3.11Å; A234-I238 WeakPolarHBondContact O-CG1 3.11Å; A234-I238 PolarHBondContact O-N 2.89Å; A234-I238 VanDerWaalsContact O-N 3.17Å; A234-T472 HydrophobicContact CB-CG2 3.63Å
235	G	82.8	Confident	85.7	Confident	27 Å²	27	39.6 Å²	39.6	28%	0.278	21%	0.209	S	C	.	.	H	α-helix	trans	-60.6	-34.3	175.5	0	0	0	0	0	112.8	A231 R233 N239 Q258	A231-G235 PolarHBondContact O-N 2.77Å; R233-G235 PolarHBondContact O-N 3.29Å; G235-N239 WeakPolarHBondContact O-CB 3.28Å; G235-N239 PolarHBondContact O-N 3.01Å; G235-Q258 PolarHBondContact O-NE2 3.1Å
236	C	88.9	Confident	86	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-74.1	-36.7	177.6	-175.7	0	0	0	0	112.9	F202 C232 R233 A234 I238 N239 C242 I245 Q258 H300	F202-C236 HydrophobicContact CE1-CB 4.16Å; F202-C236 HydrophobicContact CZ-CB 3.9Å; C232-C236 WeakPolarHBondContact O-CB 2.79Å; C232-C236 PolarHBondContact O-N 2.93Å; C232-C236 VanDerWaalsContact O-N 3.07Å; R233-C236 CarbonylContact O-C 3.46Å; R233-C236 WeakPolarHBondContact O-CA 3.07Å; R233-C236 WeakPolarHBondContact O-CB 3.21Å; R233-C236 PolarHBondContact O-N 3.38Å; A234-C236 PolarHBondContact O-N 3Å; C236-I238 VanDerWaalsContact C-N 3.34Å; C236-N239 PolarHBondContact O-N 3.33Å; C236-N239 VanDerWaalsContact O-O 3.04Å; C236-C242 VanDerWaalsContact CA-SG 3.58Å; C236-C242 HydrophobicContact CB-CB 3.89Å; C236-C242 WeakPolarHBondContact CB-SG 3.26Å; C236-C242 WeakPolarHBondContact SG-CB 3.23Å; C236-C242 CovalentContact SG-SG 2.03Å; C236-C242 PolarHBondContact SG-SG 3.32Å; C236-I245 HydrophobicContact CB-CG2 3.58Å; C236-Q258 HydrophobicContact CB-CG 4.49Å; C236-H300 PolarHBondContact O-CE1 2.99Å
237	S	84.4	Confident	86.3	Confident	6 Å²	6	28 Å²	28	4%	0.042	16%	0.159	C	C	.	.	H	α-helix	trans	-64.7	-37.9	176.5	-67.4	0	0	0	0	112.3	F202 R233 A234 H300	F202-S237 WeakPolarHBondContact CE2-OG 3.38Å; R233-S237 PolarHBondContact O-N 2.8Å; R233-S237 PolarHBondContact O-OG 3.29Å; A234-S237 PolarHBondContact O-N 3.11Å; S237-H300 PolarHBondContact O-CE1 2.87Å
238	I	81.8	Confident	86.8	Confident	104 Å²	104	32.4 Å²	32.4	53%	0.533	17%	0.173	S	C	.	.	H	α-helix	trans	-72.9	-36.5	177.9	-63.2	166.3	0	0	0	110.6	A234 C236 K240	A234-I238 WeakPolarHBondContact O-CG1 3.11Å; A234-I238 PolarHBondContact O-N 2.89Å; A234-I238 VanDerWaalsContact O-N 3.17Å; C236-I238 VanDerWaalsContact C-N 3.34Å; I238-K240 PolarHBondContact O-N 2.94Å
239	N	87.8	Confident	87.1	Confident	47 Å²	47	36.5 Å²	36.5	25%	0.251	19%	0.187	S	C	.	.			trans	-82.8	102.7	-179.3	-170	-19.6	0	0	0	112	F221 G235 C236 N241 C242 Q258 H300	F221-N239 WeakPolarHBondContact CE2-ND2 3.5Å; F221-N239 VanDerWaalsContact CZ-ND2 3.31Å; F221-N239 WeakPolarHBondContact CZ-ND2 3.44Å; G235-N239 WeakPolarHBondContact O-CB 3.28Å; G235-N239 PolarHBondContact O-N 3.01Å; C236-N239 PolarHBondContact O-N 3.33Å; C236-N239 VanDerWaalsContact O-O 3.04Å; N239-N241 PolarHBondContact O-N 2.82Å; N239-N241 PolarHBondContact OD1-N 3.02Å; N239-N241 VanDerWaalsContact OD1-N 3.1Å; N239-C242 HydrophobicContact CB-CB 4.15Å; N239-C242 WeakPolarHBondContact O-CB 3.46Å; N239-C242 PolarHBondContact O-N 3.39Å; N239-Q258 PolarHBondContact ND2-OE1 2.97Å; N239-H300 PolarHBondContact O-CE1 3.37Å; N239-H300 PolarHBondContact O-ND1 3.48Å
240	K	88.2	Confident	87.2	Confident	43 Å²	43	39.4 Å²	39.4	19%	0.187	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-21.3	-179.9	-61.8	177.6	-179.5	171.2	0	115	I238 L304 D369 F449 R451	I238-K240 PolarHBondContact O-N 2.94Å; K240-L304 HydrophobicContact CB-CD2 3.79Å; K240-D369 IonicContact NZ-OD1 3.84Å; K240-D369 IonicContact NZ-OD2 2.66Å; K240-D369 PolarHBondContact NZ-OD2 2.82Å; K240-F449 HydrophobicContact CD-CE2 4.34Å; K240-F449 HydrophobicContact CD-CZ 4.44Å; K240-R451 PolarHBondContact O-NH1 3.05Å; K240-R451 PolarHBondContact O-NH2 2.94Å
241	N	91	Very high	87.5	Confident	88 Å²	88	47 Å²	47	47%	0.471	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-14.3	177.3	-64.3	-44.5	0	0	0	113.7	N239 Q243 R260	N239-N241 PolarHBondContact O-N 2.82Å; N239-N241 PolarHBondContact OD1-N 3.02Å; N239-N241 VanDerWaalsContact OD1-N 3.1Å; N241-Q243 PolarHBondContact O-N 2.49Å; N241-R260 VanDerWaalsContact O-CB 3.23Å; N241-R260 WeakPolarHBondContact O-CB 3.2Å
242	C	93.1	Very high	87.4	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.257	C	S	.	.			trans	-80.1	111.4	-178.6	-176.9	0	0	0	0	111.1	F221 C236 N239 A244 Q258 H300	F221-C242 HydrophobicContact CE1-CB 4.27Å; F221-C242 HydrophobicContact CZ-CB 4.09Å; C236-C242 VanDerWaalsContact CA-SG 3.58Å; C236-C242 HydrophobicContact CB-CB 3.89Å; C236-C242 WeakPolarHBondContact CB-SG 3.26Å; C236-C242 WeakPolarHBondContact SG-CB 3.23Å; C236-C242 CovalentContact SG-SG 2.03Å; C236-C242 PolarHBondContact SG-SG 3.32Å; N239-C242 HydrophobicContact CB-CB 4.15Å; N239-C242 WeakPolarHBondContact O-CB 3.46Å; N239-C242 PolarHBondContact O-N 3.39Å; C242-A244 PolarHBondContact SG-O 3.4Å; C242-A244 VanDerWaalsContact SG-O 3.4Å; C242-Q258 HydrophobicContact CB-CB 4.34Å; C242-H300 WeakPolarHBondContact O-CB 3.35Å; C242-H300 VanDerWaalsContact O-CG 3.27Å; C242-H300 PolarHBondContact O-ND1 2.8Å
243	Q	93.5	Very high	87.3	Confident	13 Å²	13	56 Å²	56	6%	0.061	27%	0.271	C	S	.	.			trans	-106	-16.5	-176	-57.1	-175.9	-36.4	0	0	113.1	N241 I259 V262 N297 H300 L301 G302	N241-Q243 PolarHBondContact O-N 2.49Å; Q243-I259 PolarHBondContact N-O 2.82Å; Q243-V262 HydrophobicContact CB-CB 4Å; Q243-V262 HydrophobicContact CB-CG2 3.66Å; Q243-N297 WeakPolarHBondContact O-CB 2.66Å; Q243-N297 PolarHBondContact O-N 3.11Å; Q243-H300 HydrophobicContact CG-CB 4.43Å; Q243-H300 WeakPolarHBondContact CG-O 3.23Å; Q243-H300 PolarHBondContact NE2-O 3.06Å; Q243-L301 HydrophobicContact CB-CD2 4.43Å; Q243-G302 PolarHBondContact NE2-O 2.71Å
244	A	93.9	Very high	87.4	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	160.9	172.5	0	0	0	0	0	110.1	C242 I259 V262 E295 L296	C242-A244 PolarHBondContact SG-O 3.4Å; C242-A244 VanDerWaalsContact SG-O 3.4Å; A244-I259 HydrophobicContact CB-CB 4.19Å; A244-I259 HydrophobicContact CB-CD1 4.35Å; A244-I259 PolarHBondContact N-O 3.08Å; A244-I259 WeakPolarHBondContact O-CB 3.17Å; A244-I259 PolarHBondContact O-N 3.07Å; A244-V262 HydrophobicContact CB-CG2 3.83Å; A244-E295 CarbonylContact C-O 3.54Å; A244-E295 WeakPolarHBondContact CA-O 3.49Å; A244-E295 WeakPolarHBondContact CB-O 3.49Å; A244-L296 HydrophobicContact CB-CD2 4.06Å
245	I	93.1	Very high	88	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	143.8	167.7	61.7	170.4	0	0	0	110.4	F202 C232 R233 C236 E257 I294 E295	F202-I245 HydrophobicContact CD1-CD1 4.49Å; F202-I245 HydrophobicContact CD1-CG1 4.43Å; F202-I245 HydrophobicContact CE1-CD1 4.41Å; F202-I245 HydrophobicContact CE1-CG1 4.35Å; F202-I245 HydrophobicContact CE1-CG2 4.33Å; C232-I245 HydrophobicContact CB-CD1 4.33Å; R233-I245 HydrophobicContact CG-CD1 3.68Å; C236-I245 HydrophobicContact CB-CG2 3.58Å; I245-E257 CarbonylContact C-O 3.38Å; I245-E257 VanDerWaalsContact CA-O 3.25Å; I245-E257 WeakPolarHBondContact CA-O 3.43Å; I245-I294 WeakPolarHBondContact O-CA 3.36Å; I245-E295 HydrophobicContact CD1-CB 4.45Å; I245-E295 WeakPolarHBondContact CD1-OE2 3.18Å; I245-E295 HydrophobicContact CG1-CB 3.88Å; I245-E295 PolarHBondContact N-O 2.79Å; I245-E295 PolarHBondContact O-N 3.32Å
246	R	93.1	Very high	88.4	Confident	61 Å²	61	54 Å²	54	23%	0.23	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	113.4	163.5	179.6	167.5	70.3	-178.4	-0.5	108.1	E257 I259 N286 M293 I294	R246-E257 HydrophobicContact CB-CB 4.22Å; R246-E257 IonicContact CZ-OE2 2.75Å; R246-E257 PolarHBondContact N-O 3.24Å; R246-E257 IonicContact NE-OE2 3.44Å; R246-E257 PolarHBondContact NE-OE2 3.48Å; R246-E257 IonicContact NH2-OE1 3.08Å; R246-E257 PolarHBondContact NH2-OE1 3.24Å; R246-E257 IonicContact NH2-OE2 3.71Å; R246-E257 PolarHBondContact NH2-OE2 3.24Å; R246-E257 PolarHBondContact O-N 3.38Å; R246-I259 HydrophobicContact CB-CD1 3.82Å; R246-N286 PolarHBondContact NH1-O 3.22Å; R246-M293 WeakPolarHBondContact CA-O 3.1Å; R246-I294 HydrophobicContact CB-CG1 4.36Å; R246-I294 HydrophobicContact CG-CG1 4.21Å
247	Y	92	Very high	88.6	Confident	9 Å²	9	55.6 Å²	55.6	4%	0.035	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.3	-176.7	-178.5	-97.4	0	0	0	110.5	L227 K229 C232 K249 T253 G254 V255 C256 C292 M293	L227-Y247 WeakPolarHBondContact O-CE2 3.12Å; L227-Y247 PolarHBondContact O-OH 3.12Å; K229-Y247 HydrophobicContact CB-CD1 4.11Å; K229-Y247 HydrophobicContact CB-CD2 4.33Å; K229-Y247 HydrophobicContact CB-CE1 3.95Å; K229-Y247 HydrophobicContact CB-CE2 4.17Å; K229-Y247 HydrophobicContact CB-CG 4.29Å; K229-Y247 HydrophobicContact CG-CD1 4.28Å; K229-Y247 HydrophobicContact CG-CG 4.3Å; K229-Y247 PolarHBondContact N-OH 3.16Å; C232-Y247 HydrophobicContact CB-CD2 4.31Å; Y247-K249 HydrophobicContact CE1-CB 4.04Å; Y247-T253 VanDerWaalsContact OH-C 3.23Å; Y247-T253 PolarHBondContact OH-O 3.09Å; Y247-G254 PolarHBondContact OH-N 3.47Å; Y247-V255 CarbonylContact C-O 3.52Å; Y247-V255 WeakPolarHBondContact CA-O 2.9Å; Y247-C256 HydrophobicContact CD2-CB 4.48Å; Y247-C292 WeakPolarHBondContact O-CA 3.39Å; Y247-M293 HydrophobicContact CD1-CG 4.35Å; Y247-M293 HydrophobicContact CD1-SD 4.45Å; Y247-M293 PolarHBondContact N-O 3.25Å; Y247-M293 PolarHBondContact O-N 3.19Å
248	R	91.7	Very high	89.1	Confident	131 Å²	131	55.8 Å²	55.8	49%	0.494	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	114	174	-173.4	-178	-177	166.6	6.6	110.6	G254 V255 N291	R248-G254 CarbonylContact O-C 3.55Å; R248-G254 WeakPolarHBondContact O-CA 3.35Å; R248-V255 HydrophobicContact CB-CB 4.39Å; R248-V255 PolarHBondContact N-O 3.34Å; R248-V255 PolarHBondContact O-N 3.34Å; R248-N291 CarbonylContact C-O 3.56Å; R248-N291 WeakPolarHBondContact CA-O 3.01Å; R248-N291 WeakPolarHBondContact CG-O 3.39Å
249	K	88.5	Confident	89.7	Confident	118 Å²	118	50.8 Å²	50.8	51%	0.513	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	133.4	179.6	-168.9	175.1	-179.3	176.4	0	111.5	Y247 K251 N291	Y247-K249 HydrophobicContact CE1-CB 4.04Å; K249-K251 VanDerWaalsContact CE-O 3.22Å; K249-K251 WeakPolarHBondContact CE-O 3.42Å; K249-N291 PolarHBondContact N-O 2.97Å
250	I	85.4	Confident	89.9	Confident	84 Å²	84	53.4 Å²	53.4	43%	0.431	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	98.2	172.4	-54.2	-178.5	0	0	0	108.1	H252 T253 V255	I250-H252 PolarHBondContact O-N 3.43Å; I250-T253 CarbonylContact C-O 3.59Å; I250-T253 VanDerWaalsContact C-O 3.26Å; I250-T253 WeakPolarHBondContact CA-O 3.45Å; I250-T253 PolarHBondContact N-O 3.22Å; I250-T253 CarbonylContact O-C 3.51Å; I250-T253 PolarHBondContact O-N 3.38Å; I250-V255 HydrophobicContact CD1-CG2 3.6Å; I250-V255 HydrophobicContact CG1-CG2 4.49Å
251	K	82.5	Confident	89.9	Confident	184 Å²	184	55.6 Å²	55.6	80%	0.8	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	-114.3	-175.4	-55.1	177.6	178.6	179	0	111.8	K249	K249-K251 VanDerWaalsContact CE-O 3.22Å; K249-K251 WeakPolarHBondContact CE-O 3.42Å
252	H	74.5	Confident	89.8	Confident	176 Å²	176	52.2 Å²	52.2	82%	0.815	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-19.1	-179	-61.6	-66.6	0	0	0	113.6	I250	I250-H252 PolarHBondContact O-N 3.43Å
253	T	83.6	Confident	89.5	Confident	47 Å²	47	57 Å²	57	29%	0.288	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	-162.9	177.6	59	0	0	0	0	109.1	L227 Y247 I250	L227-T253 CarbonylContact O-C 3.55Å; Y247-T253 VanDerWaalsContact OH-C 3.23Å; Y247-T253 PolarHBondContact OH-O 3.09Å; I250-T253 CarbonylContact C-O 3.59Å; I250-T253 VanDerWaalsContact C-O 3.26Å; I250-T253 WeakPolarHBondContact CA-O 3.45Å; I250-T253 PolarHBondContact N-O 3.22Å; I250-T253 CarbonylContact O-C 3.51Å; I250-T253 PolarHBondContact O-N 3.38Å
254	G	87.3	Confident	89.2	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	-171	178.9	0	0	0	0	0	113	R225 H226 L227 Y247 R248	R225-G254 CarbonylContact C-O 3.55Å; H226-G254 WeakPolarHBondContact CA-O 3.04Å; H226-G254 PolarHBondContact N-O 2.81Å; L227-G254 PolarHBondContact N-O 3.28Å; L227-G254 VanDerWaalsContact N-O 3.13Å; L227-G254 PolarHBondContact O-N 3.14Å; Y247-G254 PolarHBondContact OH-N 3.47Å; R248-G254 CarbonylContact O-C 3.55Å; R248-G254 WeakPolarHBondContact O-CA 3.35Å
255	V	90.5	Very high	88.5	Confident	20 Å²	20	57.2 Å²	57.2	12%	0.121	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	125.3	173.1	179.4	0	0	0	0	107.3	F223 I224 R225 Y247 R248 I250	F223-V255 HydrophobicContact CD2-CG1 3.99Å; F223-V255 HydrophobicContact CE1-CG1 4.24Å; F223-V255 HydrophobicContact CE2-CG1 3.2Å; F223-V255 HydrophobicContact CZ-CG1 3.34Å; I224-V255 WeakPolarHBondContact O-CA 3.42Å; R225-V255 HydrophobicContact CG-CG2 4.26Å; Y247-V255 CarbonylContact C-O 3.52Å; Y247-V255 WeakPolarHBondContact CA-O 2.9Å; R248-V255 HydrophobicContact CB-CB 4.39Å; R248-V255 PolarHBondContact N-O 3.34Å; R248-V255 PolarHBondContact O-N 3.34Å; I250-V255 HydrophobicContact CD1-CG2 3.6Å; I250-V255 HydrophobicContact CG1-CG2 4.49Å
256	C	92	Very high	87.7	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.007	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.7	179.7	172.5	0	0	0	0	109.4	F223 I224 L227 C232 Y247	F223-C256 WeakPolarHBondContact CA-O 3.41Å; I224-C256 HydrophobicContact CB-CB 4.46Å; I224-C256 PolarHBondContact N-O 2.94Å; I224-C256 PolarHBondContact O-N 2.87Å; L227-C256 HydrophobicContact CB-CB 4.4Å; L227-C256 HydrophobicContact CD2-CB 3.86Å; C232-C256 VanDerWaalsContact CA-SG 3.53Å; C232-C256 HydrophobicContact CB-CB 3.62Å; C232-C256 WeakPolarHBondContact CB-SG 3.23Å; C232-C256 WeakPolarHBondContact SG-CB 3.44Å; C232-C256 CovalentContact SG-SG 2.02Å; C232-C256 PolarHBondContact SG-SG 3.34Å; Y247-C256 HydrophobicContact CD2-CB 4.48Å
257	E	93.5	Very high	86.6	Confident	34 Å²	34	61.3 Å²	61.3	16%	0.159	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	123.1	168.8	-73.2	174	-179.1	0	0	109.6	S222 F223 I245 R246	S222-E257 WeakPolarHBondContact O-CA 3.02Å; F223-E257 HydrophobicContact CD2-CG 3.61Å; F223-E257 HydrophobicContact CE2-CG 4.22Å; I245-E257 CarbonylContact C-O 3.38Å; I245-E257 VanDerWaalsContact CA-O 3.25Å; I245-E257 WeakPolarHBondContact CA-O 3.43Å; R246-E257 HydrophobicContact CB-CB 4.22Å; R246-E257 IonicContact CZ-OE2 2.75Å; R246-E257 PolarHBondContact N-O 3.24Å; R246-E257 IonicContact NE-OE2 3.44Å; R246-E257 PolarHBondContact NE-OE2 3.48Å; R246-E257 IonicContact NH2-OE1 3.08Å; R246-E257 PolarHBondContact NH2-OE1 3.24Å; R246-E257 IonicContact NH2-OE2 3.71Å; R246-E257 PolarHBondContact NH2-OE2 3.24Å; R246-E257 PolarHBondContact O-N 3.38Å
258	Q	93.8	Very high	84.9	Confident	10 Å²	10	68.6 Å²	68.6	5%	0.047	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	134.7	170.6	-61.2	-177.1	-3.5	0	0	109.6	P220 F221 S222 G235 C236 N239 C242	P220-Q258 WeakPolarHBondContact CA-O 3.49Å; F221-Q258 HydrophobicContact CD1-CB 4.48Å; F221-Q258 VanDerWaalsContact CD1-O 3.29Å; F221-Q258 WeakPolarHBondContact CD1-O 3.49Å; F221-Q258 HydrophobicContact CE1-CB 3.76Å; F221-Q258 HydrophobicContact CE2-CB 4.44Å; F221-Q258 HydrophobicContact CZ-CB 3.73Å; F221-Q258 PolarHBondContact N-O 3.46Å; S222-Q258 PolarHBondContact O-N 3.28Å; G235-Q258 PolarHBondContact O-NE2 3.1Å; C236-Q258 HydrophobicContact CB-CG 4.49Å; N239-Q258 PolarHBondContact ND2-OE1 2.97Å; C242-Q258 HydrophobicContact CB-CB 4.34Å
259	I	94.2	Very high	82.9	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	133.2	-169	-53.2	170.4	0	0	0	108.8	Q219 Q243 A244 R246 V262 L285	Q219-I259 WeakPolarHBondContact O-CA 3.49Å; Q243-I259 PolarHBondContact N-O 2.82Å; A244-I259 HydrophobicContact CB-CB 4.19Å; A244-I259 HydrophobicContact CB-CD1 4.35Å; A244-I259 PolarHBondContact N-O 3.08Å; A244-I259 WeakPolarHBondContact O-CB 3.17Å; A244-I259 PolarHBondContact O-N 3.07Å; R246-I259 HydrophobicContact CB-CD1 3.82Å; I259-V262 HydrophobicContact CG2-CG2 3.93Å; I259-L285 HydrophobicContact CD1-CD1 3.71Å; I259-L285 HydrophobicContact CD1-CD2 3.65Å; I259-L285 HydrophobicContact CD1-CG 4.28Å; I259-L285 HydrophobicContact CG1-CD2 4.45Å; I259-L285 HydrophobicContact CG2-CD1 3.7Å; I259-L285 HydrophobicContact CG2-CD2 4.26Å
260	R	92	Very high	80.9	Confident	101 Å²	101	65 Å²	65	38%	0.381	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	175.1	173	67.7	176.3	-172.4	-151.6	-5	110.9	Q219 F221 N241 V262	Q219-R260 HydrophobicContact CB-CG 4.29Å; Q219-R260 PolarHBondContact N-O 3.29Å; Q219-R260 PolarHBondContact O-N 3.22Å; F221-R260 HydrophobicContact CB-CG 4.32Å; F221-R260 HydrophobicContact CD1-CB 3.66Å; F221-R260 HydrophobicContact CD1-CG 3.65Å; F221-R260 HydrophobicContact CE1-CB 3.9Å; F221-R260 HydrophobicContact CE1-CG 4.38Å; F221-R260 HydrophobicContact CG-CG 4.24Å; N241-R260 VanDerWaalsContact O-CB 3.23Å; N241-R260 WeakPolarHBondContact O-CB 3.2Å; R260-V262 PolarHBondContact O-N 2.81Å
261	D	88.5	Confident	78.9	Confident	90 Å²	90	62.8 Å²	62.8	48%	0.481	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.8	40.6	176.7	-54.8	-45.5	0	0	0	112.6	I263	D261-I263 PolarHBondContact O-N 3.27Å
262	V	90.1	Very high	76.8	Confident	17 Å²	17	60.5 Å²	60.5	10%	0.103	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	122.1	-179.6	171.8	0	0	0	0	110.1	L216 S217 Q243 A244 I259 R260 L264 L296 L301	L216-V262 HydrophobicContact CD1-CG1 3.54Å; S217-V262 CarbonylContact O-C 3.4Å; S217-V262 VanDerWaalsContact O-CA 3.25Å; S217-V262 WeakPolarHBondContact O-CA 3.46Å; Q243-V262 HydrophobicContact CB-CB 4Å; Q243-V262 HydrophobicContact CB-CG2 3.66Å; A244-V262 HydrophobicContact CB-CG2 3.83Å; I259-V262 HydrophobicContact CG2-CG2 3.93Å; R260-V262 PolarHBondContact O-N 2.81Å; V262-L264 HydrophobicContact CG1-CG 4.39Å; V262-L296 HydrophobicContact CG1-CD2 4.4Å; V262-L301 HydrophobicContact CB-CD2 4.35Å; V262-L301 HydrophobicContact CG1-CD2 4.02Å
263	I	86.1	Confident	75.1	Confident	101 Å²	101	54.6 Å²	54.6	52%	0.518	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	116.1	174.1	-57.6	168.5	0	0	0	107.8	S217 D261	S217-I263 PolarHBondContact N-O 2.79Å; S217-I263 PolarHBondContact O-N 2.84Å; D261-I263 PolarHBondContact O-N 3.27Å
264	L	86	Confident	73	Confident	5 Å²	5	57.9 Å²	57.9	3%	0.026	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	118.5	168.8	-60.6	164.7	0	0	0	108	W213 L216 V262 L296 L301 L458	W213-L264 HydrophobicContact CB-CB 4.23Å; W213-L264 HydrophobicContact CB-CD2 4.08Å; W213-L264 HydrophobicContact CD2-CB 4.24Å; W213-L264 HydrophobicContact CD2-CD1 3.98Å; W213-L264 HydrophobicContact CD2-CD2 4.01Å; W213-L264 HydrophobicContact CD2-CG 4.32Å; W213-L264 HydrophobicContact CE3-CD1 4.27Å; W213-L264 HydrophobicContact CE3-CD2 4.11Å; W213-L264 HydrophobicContact CG-CB 3.79Å; W213-L264 HydrophobicContact CG-CD1 4.42Å; W213-L264 HydrophobicContact CG-CD2 4Å; W213-L264 HydrophobicContact CG-CG 4.3Å; W213-L264 HydrophobicContact CH2-CD1 4.49Å; W213-L264 HydrophobicContact CZ2-CD1 4.22Å; W213-L264 HydrophobicContact CZ3-CD1 4.49Å; L216-L264 HydrophobicContact CD1-CD2 3.49Å; L216-L264 VanDerWaalsContact CD1-CD2 3.49Å; L216-L264 HydrophobicContact CD1-CG 4.41Å; V262-L264 HydrophobicContact CG1-CG 4.39Å; L264-L296 HydrophobicContact CD2-CD1 3.79Å; L264-L296 HydrophobicContact CD2-CD2 4.41Å; L264-L301 HydrophobicContact CD1-CD1 4Å; L264-L301 HydrophobicContact CD1-CD2 4.48Å; L264-L458 HydrophobicContact CD1-CD2 3.94Å
265	S	80.5	Confident	71	Confident	12 Å²	12	67.4 Å²	67.4	8%	0.084	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	135.7	176	163.2	0	0	0	0	110.3	W213 P214 S215 D267 S270	W213-S265 CarbonylContact C-O 3.58Å; W213-S265 WeakPolarHBondContact CA-O 3.48Å; P214-S265 WeakPolarHBondContact CD-O 3.48Å; S215-S265 PolarHBondContact O-N 3.33Å; S215-S265 WeakPolarHBondContact OG-CB 3.18Å; S215-S265 PolarHBondContact OG-OG 3.13Å; S265-D267 VanDerWaalsContact C-N 3.31Å; S265-D267 PolarHBondContact OG-N 2.91Å; S265-D267 VanDerWaalsContact OG-N 3.12Å; S265-D267 PolarHBondContact OG-O 2.86Å; S265-S270 PolarHBondContact OG-OG 3.17Å; S265-S270 VanDerWaalsContact OG-OG 3.07Å
266	E	76.1	Confident	68.9	Low	62 Å²	62	77.8 Å²	77.8	29%	0.29	39%	0.387	S	S	.	.	S	Bend	trans	-80.6	-16.3	174.9	-60.6	-176.4	-170.1	0	0	112.3	P214 K457	P214-E266 WeakPolarHBondContact CG-O 3.34Å; E266-K457 HydrophobicContact CG-CD 4.15Å; E266-K457 VanDerWaalsContact OE2-CE 3.23Å; E266-K457 WeakPolarHBondContact OE2-CE 3.32Å; E266-K457 IonicContact OE2-NZ 2.81Å; E266-K457 PolarHBondContact OE2-NZ 3.03Å
267	D	69.5	Low	66.4	Low	85 Å²	85	83.6 Å²	83.6	46%	0.455	42%	0.418	S	S	.	.	S	Bend	trans	-98.3	140.3	178.6	-57.4	-46.9	0	0	0	109.7	S215 S265 T269	S215-D267 PolarHBondContact OG-O 3.07Å; S265-D267 VanDerWaalsContact C-N 3.31Å; S265-D267 PolarHBondContact OG-N 2.91Å; S265-D267 VanDerWaalsContact OG-N 3.12Å; S265-D267 PolarHBondContact OG-O 2.86Å; D267-T269 PolarHBondContact O-N 3.29Å
268	H	57.5	Low	63.8	Low	162 Å²	162	86 Å²	86	75%	0.75	44%	0.437	S	S	*	.	S	Bend	trans	-61.5	-12.1	167.5	-69.5	-76.3	0	0	0	112.6	P214	P214-H268 WeakPolarHBondContact CB-CE1 3.43Å; P214-H268 WeakPolarHBondContact CB-ND1 3.15Å
269	T	49.3	Very low	61.4	Low	115 Å²	115	88.4 Å²	88.4	71%	0.706	45%	0.452	S	S	*	.	S	Bend	trans	-143.8	64.8	-166.2	50	0	0	0	0	112.3	D267	D267-T269 PolarHBondContact O-N 3.29Å
270	S	46.3	Very low	58.9	Low	58 Å²	58	93.2 Å²	93.2	41%	0.406	48%	0.477	S	S	.	.			trans	-149	45.1	166.2	60.7	0	0	0	0	113.7	S265	S265-S270 PolarHBondContact OG-OG 3.17Å; S265-S270 VanDerWaalsContact OG-OG 3.07Å
271	V	43.2	Very low	56.5	Low	38 Å²	38	95.2 Å²	95.2	23%	0.23	49%	0.49	C	S	.	.			trans	-113.4	66.1	141.4	-170	0	0	0	0	106.2	P273 V279	V271-P273 WeakPolarHBondContact O-CD 3.46Å; V271-V279 HydrophobicContact CG1-CB 3.52Å; V271-V279 HydrophobicContact CG1-CG1 3.38Å; V271-V279 HydrophobicContact CG1-CG2 4.28Å
272	I	39.2	Very low	54.7	Low	136 Å²	136	97.3 Å²	97.3	70%	0.697	50%	0.502	S	S	*	.			trans	-75	111.5	160.2	-60	173.2	0	0	0	103	D274	I272-D274 PolarHBondContact O-N 2.7Å
273	P	37.9	Very low	53.5	Low	51 Å²	51	97.6 Å²	97.6	33%	0.331	50%	0.504	S	S	.	.			trans	-55.8	112.4	168.9	20.7	-28.5	0	0	0	106.2	V271 E275 P278	V271-P273 WeakPolarHBondContact O-CD 3.46Å; P273-E275 PolarHBondContact O-N 3.07Å; P273-P278 HydrophobicContact CB-CB 4.35Å
274	D	40.5	Very low	53.1	Low	116 Å²	116	95.1 Å²	95.1	62%	0.62	49%	0.492	S	S	*	.	B	Isolated β-bridge	trans	-53	131	163.5	-116.1	-32.9	0	0	0	105.3	I272 R276 N277	I272-D274 PolarHBondContact O-N 2.7Å; D274-R276 PolarHBondContact O-N 3.07Å; D274-N277 PolarHBondContact N-O 3.24Å; D274-N277 CarbonylContact O-C 2.99Å; D274-N277 WeakPolarHBondContact O-CA 3.42Å; D274-N277 PolarHBondContact O-N 3.36Å
275	E	44.6	Very low	52.9	Low	202 Å²	202	95.1 Å²	95.1	94%	0.944	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-16.4	178	-73.5	-176.1	157.4	0	0	112	P273	P273-E275 PolarHBondContact O-N 3.07Å
276	R	46.1	Very low	52.9	Low	238 Å²	238	100.1 Å²	100.1	90%	0.898	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-18.9	173.4	-65.6	-173.7	-174.2	-169.2	3.2	115	D274	D274-R276 PolarHBondContact O-N 3.07Å
277	N	38.8	Very low	53.2	Low	122 Å²	122	99.1 Å²	99.1	65%	0.652	52%	0.517	S	S	*	.	B	Isolated β-bridge	trans	-142.8	85.7	175.2	-112.3	-14.8	0	0	0	108	D274 V279	D274-N277 PolarHBondContact N-O 3.24Å; D274-N277 CarbonylContact O-C 2.99Å; D274-N277 WeakPolarHBondContact O-CA 3.42Å; D274-N277 PolarHBondContact O-N 3.36Å; N277-V279 VanDerWaalsContact C-N 3.26Å; N277-V279 PolarHBondContact O-N 2.98Å
278	P	39.6	Very low	53.4	Low	85 Å²	85	101.4 Å²	101.4	55%	0.552	53%	0.525	S	S	*	.			trans	-64.2	95.3	173.5	27.1	-31.9	0	0	0	107.6	P273 L280	P273-P278 HydrophobicContact CB-CB 4.35Å; P278-L280 PolarHBondContact O-N 3.41Å
279	V	42.8	Very low	54	Low	61 Å²	61	99.8 Å²	99.8	37%	0.37	53%	0.529	S	S	.	.			trans	-62.2	99.3	161.4	-177.6	0	0	0	0	103.8	V271 N277 H281	V271-V279 HydrophobicContact CG1-CB 3.52Å; V271-V279 HydrophobicContact CG1-CG1 3.38Å; V271-V279 HydrophobicContact CG1-CG2 4.28Å; N277-V279 VanDerWaalsContact C-N 3.26Å; N277-V279 PolarHBondContact O-N 2.98Å; V279-H281 PolarHBondContact O-N 3.28Å
280	L	43.4	Very low	55.3	Low	101 Å²	101	102.7 Å²	102.7	53%	0.529	54%	0.535	S	S	.	.			trans	-51.2	134	-177.7	-76.8	95.3	0	0	0	107.4	P278 D282 S283	P278-L280 PolarHBondContact O-N 3.41Å; L280-D282 HydrophobicContact CB-CB 3.86Å; L280-D282 HydrophobicContact CD2-CB 4.42Å; L280-D282 VanDerWaalsContact CD2-OD2 3.23Å; L280-D282 WeakPolarHBondContact CD2-OD2 3.28Å; L280-D282 PolarHBondContact O-N 3.37Å; L280-S283 WeakPolarHBondContact O-CB 3.46Å; L280-S283 PolarHBondContact O-N 3.27Å; L280-S283 PolarHBondContact O-OG 3.2Å
281	H	41.6	Very low	57.1	Low	142 Å²	142	104.1 Å²	104.1	66%	0.657	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-49.4	-21.6	167.5	-83.8	-67.3	0	0	0	112.2	V279 S283 L284	V279-H281 PolarHBondContact O-N 3.28Å; H281-S283 PolarHBondContact O-N 3.02Å; H281-S283 VanDerWaalsContact O-N 3.09Å; H281-L284 PolarHBondContact O-N 2.99Å; H281-L284 VanDerWaalsContact O-N 3.12Å
282	D	49.9	Very low	59.3	Low	134 Å²	134	103.4 Å²	103.4	72%	0.717	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-57.2	-14.7	170.6	-60	-14.3	0	0	0	114.5	L280	L280-D282 HydrophobicContact CB-CB 3.86Å; L280-D282 HydrophobicContact CD2-CB 4.42Å; L280-D282 VanDerWaalsContact CD2-OD2 3.23Å; L280-D282 WeakPolarHBondContact CD2-OD2 3.28Å; L280-D282 PolarHBondContact O-N 3.37Å
283	S	65.3	Low	61.7	Low	23 Å²	23	99.5 Å²	99.5	16%	0.161	51%	0.513	C	S	.	.	G	3₁₀ helix	trans	-85.7	-19.7	178.4	-40.4	0	0	0	0	112.7	S217 G218 L280 H281 L285	S217-S283 CarbonylContact C-O 3.56Å; S217-S283 WeakPolarHBondContact CA-O 3.44Å; S217-S283 WeakPolarHBondContact CB-O 3.47Å; G218-S283 PolarHBondContact N-O 3.25Å; L280-S283 WeakPolarHBondContact O-CB 3.46Å; L280-S283 PolarHBondContact O-N 3.27Å; L280-S283 PolarHBondContact O-OG 3.2Å; H281-S283 PolarHBondContact O-N 3.02Å; H281-S283 VanDerWaalsContact O-N 3.09Å; S283-L285 PolarHBondContact O-N 2.94Å
284	L	77.5	Confident	64.3	Low	49 Å²	49	97.5 Å²	97.5	26%	0.257	50%	0.5	S	S	.	.	B	Isolated β-bridge	trans	-71.6	122	-180	-77.3	163	0	0	0	110	H281 N286	H281-L284 PolarHBondContact O-N 2.99Å; H281-L284 VanDerWaalsContact O-N 3.12Å; L284-N286 PolarHBondContact O-N 2.99Å
285	L	82.4	Confident	66.7	Low	5 Å²	5	92 Å²	92	3%	0.026	47%	0.471	C	S	.	.			trans	-87	102.5	-177.7	-63.5	172.5	0	0	0	109.3	L216 I259 S283 I294	L216-L285 HydrophobicContact CD1-CD1 4.48Å; L216-L285 HydrophobicContact CD2-CB 4.06Å; L216-L285 HydrophobicContact CD2-CD1 4.09Å; L216-L285 HydrophobicContact CG-CB 4.09Å; L216-L285 HydrophobicContact CG-CD1 3.93Å; L216-L285 PolarHBondContact O-N 2.67Å; I259-L285 HydrophobicContact CD1-CD1 3.71Å; I259-L285 HydrophobicContact CD1-CD2 3.65Å; I259-L285 HydrophobicContact CD1-CG 4.28Å; I259-L285 HydrophobicContact CG1-CD2 4.45Å; I259-L285 HydrophobicContact CG2-CD1 3.7Å; I259-L285 HydrophobicContact CG2-CD2 4.26Å; S283-L285 PolarHBondContact O-N 2.94Å; L285-I294 HydrophobicContact CB-CD1 3.9Å; L285-I294 WeakPolarHBondContact O-CD1 3.38Å
286	N	80.4	Confident	69	Low	118 Å²	118	82.5 Å²	82.5	63%	0.631	43%	0.426	S	S	*	.			trans	-114.4	151.1	174.5	-67.3	-30.3	0	0	0	110.7	R246 L284	R246-N286 PolarHBondContact NH1-O 3.22Å; L284-N286 PolarHBondContact O-N 2.99Å
287	C	80.9	Confident	71.1	Confident	40 Å²	40	71.2 Å²	71.2	27%	0.27	38%	0.384	S	S	.	.			trans	-128.2	141.4	173	-99	0	0	0	0	110.7	C292 M293 I294	C287-C292 WeakPolarHBondContact CA-SG 3.29Å; C287-C292 HydrophobicContact CB-CB 3.52Å; C287-C292 WeakPolarHBondContact CB-SG 3.22Å; C287-C292 WeakPolarHBondContact SG-CB 3.46Å; C287-C292 CovalentContact SG-SG 2.04Å; C287-C292 PolarHBondContact SG-SG 2.7Å; C287-M293 VanDerWaalsContact SG-C 3.51Å; C287-M293 PolarHBondContact SG-N 2.81Å; C287-I294 HydrophobicContact CB-CD1 4.31Å; C287-I294 HydrophobicContact CB-CG1 4.28Å; C287-I294 VanDerWaalsContact SG-CG1 3.53Å
288	E	75.1	Confident	73.3	Confident	134 Å²	134	66.2 Å²	66.2	63%	0.626	36%	0.356	S	S	*	.			trans	-73.3	125	164.7	-67.7	-176.5	161.1	0	0	109.3	E290 C292	E288-E290 VanDerWaalsContact C-N 3.26Å; E288-E290 PolarHBondContact O-N 3.21Å; E288-C292 VanDerWaalsContact O-CB 3.28Å; E288-C292 WeakPolarHBondContact O-CB 3.48Å; E288-C292 PolarHBondContact O-N 3.28Å; E288-C292 VanDerWaalsContact O-N 3.17Å
289	P	69.2	Low	75.5	Confident	127 Å²	127	62.2 Å²	62.2	83%	0.825	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-28.5	-165.3	-27.9	33.8	0	0	0	116.4
290	E	75.7	Confident	77.7	Confident	177 Å²	177	59.3 Å²	59.3	83%	0.827	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-27.4	-167.3	-66.2	-176.8	178.8	0	0	114.1	E288	E288-E290 VanDerWaalsContact C-N 3.26Å; E288-E290 PolarHBondContact O-N 3.21Å
291	N	84.4	Confident	79.9	Confident	87 Å²	87	54.7 Å²	54.7	47%	0.465	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.5	1.9	-173.2	-68.9	-55.5	0	0	0	113.5	R248 K249	R248-N291 CarbonylContact C-O 3.56Å; R248-N291 WeakPolarHBondContact CA-O 3.01Å; R248-N291 WeakPolarHBondContact CG-O 3.39Å; K249-N291 PolarHBondContact N-O 2.97Å
292	C	89.2	Confident	82.1	Confident	24 Å²	24	48.6 Å²	48.6	16%	0.162	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	136.4	-175.2	-172.9	0	0	0	0	109.8	Y247 C287 E288	Y247-C292 WeakPolarHBondContact O-CA 3.39Å; C287-C292 WeakPolarHBondContact CA-SG 3.29Å; C287-C292 HydrophobicContact CB-CB 3.52Å; C287-C292 WeakPolarHBondContact CB-SG 3.22Å; C287-C292 WeakPolarHBondContact SG-CB 3.46Å; C287-C292 CovalentContact SG-SG 2.04Å; C287-C292 PolarHBondContact SG-SG 2.7Å; E288-C292 VanDerWaalsContact O-CB 3.28Å; E288-C292 WeakPolarHBondContact O-CB 3.48Å; E288-C292 PolarHBondContact O-N 3.28Å; E288-C292 VanDerWaalsContact O-N 3.17Å
293	M	90.5	Very high	83.8	Confident	53 Å²	53	46.8 Å²	46.8	26%	0.261	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	149.8	172.9	54.2	179.7	32.4	0	0	110.6	K229 R246 Y247 C287	K229-M293 HydrophobicContact CD-SD 3.44Å; K229-M293 WeakPolarHBondContact CD-SD 3.49Å; R246-M293 WeakPolarHBondContact CA-O 3.1Å; Y247-M293 HydrophobicContact CD1-CG 4.35Å; Y247-M293 HydrophobicContact CD1-SD 4.45Å; Y247-M293 PolarHBondContact N-O 3.25Å; Y247-M293 PolarHBondContact O-N 3.19Å; C287-M293 VanDerWaalsContact SG-C 3.51Å; C287-M293 PolarHBondContact SG-N 2.81Å
294	I	92	Very high	85	Confident	9 Å²	9	47.9 Å²	47.9	5%	0.046	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.5	172.7	-59.3	166.9	0	0	0	107.1	Y205 L216 I245 R246 L285 C287	Y205-I294 WeakPolarHBondContact CB-O 3.44Å; Y205-I294 PolarHBondContact N-O 3.24Å; L216-I294 HydrophobicContact CD2-CD1 4.37Å; L216-I294 HydrophobicContact CD2-CG2 3.69Å; I245-I294 WeakPolarHBondContact O-CA 3.36Å; R246-I294 HydrophobicContact CB-CG1 4.36Å; R246-I294 HydrophobicContact CG-CG1 4.21Å; L285-I294 HydrophobicContact CB-CD1 3.9Å; L285-I294 WeakPolarHBondContact O-CD1 3.38Å; C287-I294 HydrophobicContact CB-CD1 4.31Å; C287-I294 HydrophobicContact CB-CG1 4.28Å; C287-I294 VanDerWaalsContact SG-CG1 3.53Å
295	E	91.8	Very high	85.6	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.009	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130	174.7	-61	177.6	164.3	0	0	109.2	F202 I203 K229 R233 A244 I245	F202-E295 HydrophobicContact CB-CB 4.46Å; F202-E295 HydrophobicContact CD1-CB 4.21Å; I203-E295 CarbonylContact O-C 3.48Å; I203-E295 VanDerWaalsContact O-CA 3.26Å; I203-E295 WeakPolarHBondContact O-CA 3.43Å; K229-E295 IonicContact NZ-OE1 2.79Å; R233-E295 IonicContact CZ-OE1 2.85Å; R233-E295 IonicContact CZ-OE2 3.63Å; R233-E295 IonicContact NE-OE1 3.38Å; R233-E295 IonicContact NE-OE2 3.42Å; R233-E295 PolarHBondContact NE-OE2 3.06Å; R233-E295 IonicContact NH2-OE1 2.98Å; R233-E295 PolarHBondContact NH2-OE1 3.28Å; R233-E295 IonicContact NH2-OE2 3.51Å; R233-E295 PolarHBondContact NH2-OE2 3.14Å; A244-E295 CarbonylContact C-O 3.54Å; A244-E295 WeakPolarHBondContact CA-O 3.49Å; A244-E295 WeakPolarHBondContact CB-O 3.49Å; I245-E295 HydrophobicContact CD1-CB 4.45Å; I245-E295 WeakPolarHBondContact CD1-OE2 3.18Å; I245-E295 HydrophobicContact CG1-CB 3.88Å; I245-E295 PolarHBondContact N-O 2.79Å; I245-E295 PolarHBondContact O-N 3.32Å
296	L	91.7	Very high	86.1	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	126.8	176.7	-57.5	179.5	0	0	0	108.5	C201 F202 I203 Y205 W213 L216 A244 V262 L264 K298	C201-L296 VanDerWaalsContact O-O 3.14Å; F202-L296 CarbonylContact C-O 3.58Å; F202-L296 VanDerWaalsContact CA-O 3.28Å; F202-L296 WeakPolarHBondContact CA-O 3.3Å; I203-L296 PolarHBondContact N-O 2.94Å; I203-L296 PolarHBondContact O-N 3.44Å; Y205-L296 HydrophobicContact CD2-CD1 4.01Å; Y205-L296 HydrophobicContact CD2-CG 4.44Å; W213-L296 HydrophobicContact CE3-CD1 4.38Å; W213-L296 HydrophobicContact CZ3-CD1 4.33Å; L216-L296 HydrophobicContact CD1-CD2 3.75Å; L216-L296 HydrophobicContact CD2-CD2 3.95Å; A244-L296 HydrophobicContact CB-CD2 4.06Å; V262-L296 HydrophobicContact CG1-CD2 4.4Å; L264-L296 HydrophobicContact CD2-CD1 3.79Å; L264-L296 HydrophobicContact CD2-CD2 4.41Å; L296-K298 PolarHBondContact O-N 3.08Å
297	N	90.8	Very high	86.6	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	87.8	167.9	-177.6	-17.1	0	0	0	108.2	C201 F202 Q243 C299 H300 L301	C201-N297 WeakPolarHBondContact CB-OD1 2.98Å; C201-N297 CarbonylContact O-C 3.58Å; C201-N297 VanDerWaalsContact O-CA 3.31Å; C201-N297 WeakPolarHBondContact O-CA 3.37Å; F202-N297 HydrophobicContact CD1-CB 4.16Å; F202-N297 HydrophobicContact CE1-CB 3.76Å; F202-N297 HydrophobicContact CZ-CB 4.2Å; Q243-N297 WeakPolarHBondContact O-CB 2.66Å; Q243-N297 PolarHBondContact O-N 3.11Å; N297-C299 PolarHBondContact O-N 3.29Å; N297-C299 WeakPolarHBondContact OD1-CB 3.38Å; N297-C299 PolarHBondContact OD1-N 2.76Å; N297-H300 HydrophobicContact CB-CB 4.13Å; N297-H300 VanDerWaalsContact ND2-CG 3.35Å; N297-H300 PolarHBondContact ND2-ND1 2.79Å; N297-H300 VanDerWaalsContact ND2-ND1 3.14Å; N297-H300 CarbonylContact O-C 3.42Å; N297-H300 WeakPolarHBondContact O-CA 3.29Å; N297-H300 PolarHBondContact O-N 2.65Å; N297-H300 PolarHBondContact OD1-N 2.77Å; N297-H300 VanDerWaalsContact OD1-N 3.17Å; N297-L301 WeakPolarHBondContact O-CG 3.3Å; N297-L301 PolarHBondContact O-N 2.89Å; N297-L301 VanDerWaalsContact O-N 3.08Å
298	K	85.9	Confident	87.1	Confident	18 Å²	18	48.3 Å²	48.3	8%	0.078	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-55	-35.9	-179.6	85.1	-163.1	-175.4	-160	0	112.4	E200 C201 I203 L296 H300 L301 Y364 L463 I468	E200-K298 WeakPolarHBondContact O-CE 3.1Å; E200-K298 PolarHBondContact O-NZ 3.29Å; C201-K298 WeakPolarHBondContact O-CG 3Å; C201-K298 PolarHBondContact O-N 2.86Å; I203-K298 HydrophobicContact CD1-CB 4.12Å; I203-K298 HydrophobicContact CD1-CD 3.5Å; I203-K298 HydrophobicContact CD1-CG 4.42Å; I203-K298 HydrophobicContact CG1-CD 3.93Å; L296-K298 PolarHBondContact O-N 3.08Å; K298-H300 PolarHBondContact O-N 3.01Å; K298-L301 HydrophobicContact CB-CD1 4.31Å; K298-L301 PolarHBondContact O-N 3.49Å; K298-Y364 VanDerWaalsContact O-CE1 3.27Å; K298-Y364 WeakPolarHBondContact O-CE1 3.43Å; K298-Y364 PolarHBondContact O-OH 2.85Å; K298-L463 HydrophobicContact CD-CD2 4.46Å; K298-I468 VanDerWaalsContact CE-CD1 3.47Å
299	C	85	Confident	87.8	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-65.6	-24.4	176.2	-59.1	0	0	0	0	112.7	C201 N297 Y411 F413 R451	C201-C299 WeakPolarHBondContact CA-SG 3.45Å; C201-C299 HydrophobicContact CB-CB 3.63Å; C201-C299 WeakPolarHBondContact CB-SG 3.23Å; C201-C299 WeakPolarHBondContact SG-CB 3.32Å; C201-C299 CovalentContact SG-SG 2.02Å; C201-C299 PolarHBondContact SG-SG 3.34Å; N297-C299 PolarHBondContact O-N 3.29Å; N297-C299 WeakPolarHBondContact OD1-CB 3.38Å; N297-C299 PolarHBondContact OD1-N 2.76Å; C299-Y411 HydrophobicContact CB-CD1 4.21Å; C299-Y411 HydrophobicContact CB-CD2 3.74Å; C299-Y411 HydrophobicContact CB-CE1 4.17Å; C299-Y411 HydrophobicContact CB-CE2 3.69Å; C299-Y411 HydrophobicContact CB-CG 3.99Å; C299-F413 HydrophobicContact CB-CZ 4.27Å; C299-R451 WeakPolarHBondContact O-CD 3.4Å; C299-R451 PolarHBondContact O-NE 2.94Å
300	H	90	Very high	88.6	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-100.5	-3.9	177.9	-72.8	-176.2	0	0	0	115.2	C236 S237 N239 C242 Q243 N297 K298 Y411 R451	C236-H300 PolarHBondContact O-CE1 2.99Å; S237-H300 PolarHBondContact O-CE1 2.87Å; N239-H300 PolarHBondContact O-CE1 3.37Å; N239-H300 PolarHBondContact O-ND1 3.48Å; C242-H300 WeakPolarHBondContact O-CB 3.35Å; C242-H300 VanDerWaalsContact O-CG 3.27Å; C242-H300 PolarHBondContact O-ND1 2.8Å; Q243-H300 HydrophobicContact CG-CB 4.43Å; Q243-H300 WeakPolarHBondContact CG-O 3.23Å; Q243-H300 PolarHBondContact NE2-O 3.06Å; N297-H300 HydrophobicContact CB-CB 4.13Å; N297-H300 VanDerWaalsContact ND2-CG 3.35Å; N297-H300 PolarHBondContact ND2-ND1 2.79Å; N297-H300 VanDerWaalsContact ND2-ND1 3.14Å; N297-H300 CarbonylContact O-C 3.42Å; N297-H300 WeakPolarHBondContact O-CA 3.29Å; N297-H300 PolarHBondContact O-N 2.65Å; N297-H300 PolarHBondContact OD1-N 2.77Å; N297-H300 VanDerWaalsContact OD1-N 3.17Å; K298-H300 PolarHBondContact O-N 3.01Å; H300-Y411 AromaticContact CD2-CE1 3.77Å; H300-Y411 AromaticContact CD2-CZ 3.82Å; H300-Y411 PolarHBondContact CD2-OH 3.33Å; H300-Y411 AromaticContact NE2-CE1 3.82Å; H300-Y411 AromaticContact NE2-CZ 3.64Å; H300-Y411 PolarHBondContact NE2-OH 2.75Å; H300-R451 PolarHBondContact CD2-NH2 3.42Å; H300-R451 PolarHBondContact NE2-NH2 2.83Å; H300-R451 PolarHBondContact O-NH1 2.9Å
301	L	88.7	Confident	88.5	Confident	5 Å²	5	45.1 Å²	45.1	3%	0.026	21%	0.211	C	C	.	.			trans	-63	144	180	-70.2	177.1	0	0	0	112.1	Q243 V262 L264 N297 K298 Y364 R451 L458	Q243-L301 HydrophobicContact CB-CD2 4.43Å; V262-L301 HydrophobicContact CB-CD2 4.35Å; V262-L301 HydrophobicContact CG1-CD2 4.02Å; L264-L301 HydrophobicContact CD1-CD1 4Å; L264-L301 HydrophobicContact CD1-CD2 4.48Å; N297-L301 WeakPolarHBondContact O-CG 3.3Å; N297-L301 PolarHBondContact O-N 2.89Å; N297-L301 VanDerWaalsContact O-N 3.08Å; K298-L301 HydrophobicContact CB-CD1 4.31Å; K298-L301 PolarHBondContact O-N 3.49Å; L301-Y364 HydrophobicContact CB-CE1 4.38Å; L301-R451 WeakPolarHBondContact O-CD 3.41Å; L301-L458 HydrophobicContact CB-CD1 4.17Å; L301-L458 HydrophobicContact CD1-CD1 4.26Å; L301-L458 HydrophobicContact CD1-CD2 3.54Å
302	G	87	Confident	87.2	Confident	14 Å²	14	45.7 Å²	45.7	14%	0.144	21%	0.211	C	C	.	.	S	Bend	trans	92.7	163.9	-178.7	0	0	0	0	0	114.1	Q243 L304 I452	Q243-G302 PolarHBondContact NE2-O 2.71Å; G302-L304 PolarHBondContact O-N 3.29Å; G302-I452 CarbonylContact C-O 3.56Å; G302-I452 WeakPolarHBondContact CA-O 3.05Å
303	R	86.9	Confident	85	Confident	96 Å²	96	47.8 Å²	47.8	36%	0.362	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	126.2	-179.8	-176.4	173.2	76.6	-134.8	-3.7	109.5	E305 E361 R451 I452	R303-E305 HydrophobicContact CG-CG 4.46Å; R303-E305 IonicContact CZ-OE1 3.09Å; R303-E305 IonicContact NE-OE1 3.62Å; R303-E305 PolarHBondContact NE-OE1 2.83Å; R303-E305 IonicContact NH2-OE1 2.91Å; R303-E305 PolarHBondContact NH2-OE1 3.26Å; R303-E361 IonicContact CZ-OE1 2.7Å; R303-E361 IonicContact CZ-OE2 2.94Å; R303-E361 IonicContact NH1-OE1 3.62Å; R303-E361 PolarHBondContact NH1-OE1 2.63Å; R303-E361 IonicContact NH1-OE2 3.66Å; R303-E361 IonicContact NH2-OE1 3.86Å; R303-E361 IonicContact NH2-OE2 3.72Å; R303-E361 PolarHBondContact NH2-OE2 3.44Å; R303-R451 WeakPolarHBondContact O-CA 3.11Å; R303-I452 PolarHBondContact N-O 3.43Å; R303-I452 PolarHBondContact O-N 2.86Å
304	L	90.4	Very high	82.5	Confident	45 Å²	45	55 Å²	55	24%	0.236	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	127.7	173.5	-174.7	70.4	0	0	0	109.6	K240 G302 F449 R451	K240-L304 HydrophobicContact CB-CD2 3.79Å; G302-L304 PolarHBondContact O-N 3.29Å; L304-F449 HydrophobicContact CD1-CB 3.65Å; L304-F449 HydrophobicContact CD1-CD1 4.16Å; L304-F449 HydrophobicContact CD1-CG 4.12Å; L304-F449 HydrophobicContact CD2-CD1 4.41Å; L304-F449 HydrophobicContact CG-CD1 4.24Å; L304-R451 HydrophobicContact CD1-CG 4.28Å
305	E	89.9	Confident	79.7	Confident	25 Å²	25	61.7 Å²	61.7	12%	0.117	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	133.8	170.8	-71.2	-173.9	-174.4	0	0	110.5	R303 F449 V450 I452	R303-E305 HydrophobicContact CG-CG 4.46Å; R303-E305 IonicContact CZ-OE1 3.09Å; R303-E305 IonicContact NE-OE1 3.62Å; R303-E305 PolarHBondContact NE-OE1 2.83Å; R303-E305 IonicContact NH2-OE1 2.91Å; R303-E305 PolarHBondContact NH2-OE1 3.26Å; E305-F449 CarbonylContact O-C 3.49Å; E305-F449 VanDerWaalsContact O-CA 3.26Å; E305-F449 WeakPolarHBondContact O-CA 3.43Å; E305-V450 HydrophobicContact CB-CG2 3.97Å; E305-V450 PolarHBondContact N-O 3.2Å; E305-V450 PolarHBondContact O-N 3.14Å; E305-I452 HydrophobicContact CB-CD1 4.28Å; E305-I452 HydrophobicContact CG-CD1 3.87Å; E305-I452 VanDerWaalsContact OE2-CD1 3.29Å; E305-I452 WeakPolarHBondContact OE2-CD1 3.25Å
306	E	91.8	Very high	76.8	Confident	89 Å²	89	67 Å²	67	42%	0.416	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	137	173.3	-170.9	179.5	172.9	0	0	110.3	F449	E306-F449 HydrophobicContact CB-CD1 3.97Å; E306-F449 HydrophobicContact CB-CE1 3.92Å; E306-F449 HydrophobicContact CG-CD1 4.21Å; E306-F449 HydrophobicContact CG-CE1 3.83Å; E306-F449 HydrophobicContact CG-CZ 4.46Å
307	L	92	Very high	74	Confident	2 Å²	2	73.9 Å²	73.9	1%	0.01	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	141	172.3	-60.9	-175	0	0	0	110.2	W341 I343 I426 M448 V450	L307-W341 HydrophobicContact CB-CB 4.19Å; L307-W341 HydrophobicContact CB-CE3 4.17Å; L307-W341 HydrophobicContact CD1-CB 4.08Å; L307-I343 HydrophobicContact CD2-CB 4.02Å; L307-I343 HydrophobicContact CD2-CG1 3.68Å; L307-I343 HydrophobicContact CD2-CG2 4.32Å; L307-I426 HydrophobicContact CD1-CB 4.1Å; L307-I426 HydrophobicContact CD1-CG1 3.73Å; L307-M448 HydrophobicContact CB-CB 4.22Å; L307-M448 HydrophobicContact CD1-CB 4.4Å; L307-M448 HydrophobicContact CD1-CG 3.84Å; L307-M448 HydrophobicContact CD1-SD 3.61Å; L307-M448 PolarHBondContact N-O 3.2Å; L307-V450 HydrophobicContact CD1-CG1 3.63Å; L307-V450 HydrophobicContact CD2-CG1 3.9Å; L307-V450 HydrophobicContact CD2-CG2 3.93Å; L307-V450 HydrophobicContact CG-CG1 3.91Å; L307-V450 HydrophobicContact CG-CG2 4.47Å
308	H	90.7	Very high	71	Confident	106 Å²	106	79.1 Å²	79.1	49%	0.491	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	128.4	174.1	-61.1	-54	0	0	0	110.1	V310 K342	H308-V310 PolarHBondContact O-N 3.46Å; H308-K342 PolarHBondContact N-O 3.09Å; H308-K342 PolarHBondContact O-N 2.66Å
309	Q	90.2	Very high	68.4	Low	101 Å²	101	84.6 Å²	84.6	47%	0.472	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	125.9	173.7	-163.3	-179.8	23.6	0	0	109	R311 S339 W341	Q309-R311 PolarHBondContact O-N 2.64Å; Q309-S339 PolarHBondContact NE2-OG 2.97Å; Q309-S339 VanDerWaalsContact NE2-OG 3.16Å; Q309-W341 HydrophobicContact CB-CD2 4.06Å; Q309-W341 HydrophobicContact CB-CE3 3.83Å; Q309-W341 HydrophobicContact CB-CH2 3.83Å; Q309-W341 HydrophobicContact CB-CZ2 4.05Å; Q309-W341 HydrophobicContact CB-CZ3 3.72Å; Q309-W341 HydrophobicContact CG-CD2 4.24Å; Q309-W341 HydrophobicContact CG-CE3 4.5Å; Q309-W341 HydrophobicContact CG-CH2 4.25Å; Q309-W341 HydrophobicContact CG-CZ2 3.97Å; Q309-W341 VanDerWaalsContact N-CE3 3.29Å
310	V	86.7	Confident	65.7	Low	49 Å²	49	89.9 Å²	89.9	30%	0.297	45%	0.449	S	S	.	.			trans	-75.4	98.8	168.2	-175.5	0	0	0	0	105.4	H308 Q312 L340 K342 F425	H308-V310 PolarHBondContact O-N 3.46Å; V310-Q312 PolarHBondContact O-N 2.87Å; V310-L340 HydrophobicContact CB-CB 4.28Å; V310-L340 HydrophobicContact CB-CD2 4.45Å; V310-L340 HydrophobicContact CG2-CD2 4.3Å; V310-L340 HydrophobicContact CG2-CG 4.39Å; V310-L340 PolarHBondContact N-O 3.33Å; V310-K342 HydrophobicContact CG2-CB 3.71Å; V310-F425 HydrophobicContact CG2-CD1 4.09Å; V310-F425 HydrophobicContact CG2-CE1 3.93Å
311	R	73.1	Confident	62.7	Low	220 Å²	220	94.6 Å²	94.6	83%	0.83	48%	0.482	S	S	*	.			trans	-59.8	109	165.6	-66.7	-174.1	-177.2	177.6	0.9	105.9	Q309 S313	Q309-R311 PolarHBondContact O-N 2.64Å; R311-S313 PolarHBondContact O-N 2.94Å; R311-S313 VanDerWaalsContact O-N 3.1Å
312	Q	57.8	Low	59.8	Low	99 Å²	99	99.9 Å²	99.9	46%	0.463	51%	0.514	S	S	.	.			trans	-59.9	115.8	161.7	-66.9	175.3	12.7	0	0	104	V310 E314	V310-Q312 PolarHBondContact O-N 2.87Å; Q312-E314 PolarHBondContact O-N 3.45Å
313	S	41.2	Very low	57	Low	69 Å²	69	104 Å²	104	48%	0.483	54%	0.541	S	S	.	.			trans	-49.5	137.4	151.6	36.6	0	0	0	0	104.9	R311 E315	R311-S313 PolarHBondContact O-N 2.94Å; R311-S313 VanDerWaalsContact O-N 3.1Å; S313-E315 WeakPolarHBondContact CB-OE2 3.42Å; S313-E315 PolarHBondContact O-N 3.31Å; S313-E315 PolarHBondContact OG-OE2 3.21Å
314	E	39.8	Very low	54.2	Low	205 Å²	205	106.2 Å²	106.2	96%	0.958	56%	0.56	S	S	*	*	S	Bend	trans	-63.5	35.7	166.8	-66.5	173.1	150.8	0	0	110.8	Q312 N316	Q312-E314 PolarHBondContact O-N 3.45Å; E314-N316 PolarHBondContact O-N 3.49Å; E314-N316 VanDerWaalsContact O-N 3.12Å
315	E	32.4	Very low	51.2	Low	149 Å²	149	110.7 Å²	110.7	70%	0.696	58%	0.583	S	S	*	*			trans	-77.5	94.6	174.1	-87.7	177.6	139.1	0	0	108.6	S313	S313-E315 WeakPolarHBondContact CB-OE2 3.42Å; S313-E315 PolarHBondContact O-N 3.31Å; S313-E315 PolarHBondContact OG-OE2 3.21Å
316	N	30.4	Very low	48.3	Very low	114 Å²	114	117.2 Å²	117.2	61%	0.61	62%	0.619	S	S	*	*			trans	69.4	57.7	149.1	-59.7	-23.1	0	0	0	116.5	E314 T318	E314-N316 PolarHBondContact O-N 3.49Å; E314-N316 VanDerWaalsContact O-N 3.12Å; N316-T318 PolarHBondContact O-N 2.97Å
317	D	34.1	Very low	45.3	Very low	145 Å²	145	119 Å²	119	78%	0.775	63%	0.631	S	S	*	*			trans	-67.9	41.5	138.2	-85.2	-18.7	0	0	0	111.4	I319	D317-I319 PolarHBondContact O-N 3.03Å
318	T	27.1	Very low	42.6	Very low	110 Å²	110	128.4 Å²	128.4	68%	0.675	68%	0.675	S	S	*	*			trans	-80.6	38.4	152.3	55.4	0	0	0	0	109.7	N316 T320	N316-T318 PolarHBondContact O-N 2.97Å; T318-T320 PolarHBondContact O-N 2.83Å
319	I	31.6	Very low	40	Very low	133 Å²	133	128.1 Å²	128.1	68%	0.682	68%	0.681	S	S	*	*	S	Bend	trans	-76.6	82.5	158.9	-58.4	177.8	0	0	0	105.1	D317 S321	D317-I319 PolarHBondContact O-N 3.03Å; I319-S321 PolarHBondContact O-N 3.5Å; I319-S321 VanDerWaalsContact O-N 3.14Å
320	T	26.9	Very low	37.3	Very low	111 Å²	111	131 Å²	131	68%	0.681	70%	0.7	S	S	*	*			trans	36.7	70.9	159.7	24.7	0	0	0	0	112.6	T318 V322	T318-T320 PolarHBondContact O-N 2.83Å; T320-V322 PolarHBondContact O-N 2.97Å
321	S	29	Very low	34.8	Very low	99 Å²	99	135 Å²	135	69%	0.692	72%	0.72	S	S	*	*			trans	-50.8	105.9	143.1	44.5	0	0	0	0	104.9	I319 S323	I319-S321 PolarHBondContact O-N 3.5Å; I319-S321 VanDerWaalsContact O-N 3.14Å; S321-S323 PolarHBondContact O-N 3.32Å
322	V	27.6	Very low	33.2	Very low	117 Å²	117	130.5 Å²	130.5	71%	0.709	71%	0.711	S	S	*	*			trans	-65.7	77.7	170	178.2	0	0	0	0	104.7	T320 N324	T320-V322 PolarHBondContact O-N 2.97Å; V322-N324 PolarHBondContact O-N 3.26Å
323	S	27.6	Very low	32.5	Very low	100 Å²	100	133.1 Å²	133.1	70%	0.699	72%	0.723	S	S	*	*			trans	-72.4	68.3	167.8	61	0	0	0	0	106.4	S321	S321-S323 PolarHBondContact O-N 3.32Å
324	N	27.7	Very low	32.9	Very low	142 Å²	142	133.3 Å²	133.3	76%	0.759	73%	0.725	S	S	*	*			trans	-173.7	68	165.6	-92.8	-19.7	0	0	0	107.6	V322	V322-N324 PolarHBondContact O-N 3.26Å
325	L	26.7	Very low	33.9	Very low	139 Å²	139	128.9 Å²	128.9	73%	0.728	70%	0.704	S	S	*	*			trans	-151.9	89.4	145.6	-125.3	94.1	0	0	0	108.1	N327	L325-N327 VanDerWaalsContact C-N 3.29Å; L325-N327 HydrophobicContact CD2-CB 4.35Å; L325-N327 PolarHBondContact O-N 3.07Å
326	N	29.5	Very low	35.7	Very low	162 Å²	162	125.5 Å²	125.5	87%	0.866	69%	0.691	S	S	*	*			trans	-54	103.8	144.4	-74.9	-21.6	0	0	0	106.1
327	N	28.7	Very low	38.2	Very low	126 Å²	126	124.6 Å²	124.6	67%	0.674	68%	0.681	S	S	*	*			trans	-166.9	129	153.2	-92.4	-18.5	0	0	0	109.3	L325 T329	L325-N327 VanDerWaalsContact C-N 3.29Å; L325-N327 HydrophobicContact CD2-CB 4.35Å; L325-N327 PolarHBondContact O-N 3.07Å; N327-T329 PolarHBondContact O-N 3.03Å
328	E	35.7	Very low	40.8	Very low	201 Å²	201	121.8 Å²	121.8	94%	0.939	66%	0.662	S	S	*	*			trans	-64.5	68	-178.2	-62.5	171.7	135.6	0	0	113.3
329	T	35.3	Very low	43.8	Very low	100 Å²	100	117.3 Å²	117.3	61%	0.613	64%	0.636	S	S	*	*			trans	-127.6	113.2	159.9	47.7	0	0	0	0	107.4	N327 N331	N327-T329 PolarHBondContact O-N 3.03Å; T329-N331 VanDerWaalsContact C-N 3.32Å; T329-N331 PolarHBondContact O-N 3.3Å
330	N	35.2	Very low	46.6	Very low	161 Å²	161	112.5 Å²	112.5	86%	0.861	61%	0.611	S	S	*	*			trans	-41.1	95.6	171.6	-69.2	-34	0	0	0	109.7	L332	N330-L332 VanDerWaalsContact C-N 3.34Å; N330-L332 PolarHBondContact O-N 3.07Å
331	N	34.5	Very low	49.8	Very low	134 Å²	134	107.7 Å²	107.7	72%	0.717	58%	0.58	S	S	*	*			trans	-67.6	99.2	178.4	-82.8	-28.7	0	0	0	106.4	T329 Q333	T329-N331 VanDerWaalsContact C-N 3.32Å; T329-N331 PolarHBondContact O-N 3.3Å; N331-Q333 PolarHBondContact O-N 3.45Å
332	L	39.1	Very low	52.8	Low	124 Å²	124	108.2 Å²	108.2	65%	0.649	57%	0.57	S	S	*	*			trans	-53.7	87.5	149.7	-84	90.6	0	0	0	106.3	N330 S334	N330-L332 VanDerWaalsContact C-N 3.34Å; N330-L332 PolarHBondContact O-N 3.07Å; L332-S334 PolarHBondContact O-N 2.86Å
333	Q	43.1	Very low	55.5	Low	154 Å²	154	103.1 Å²	103.1	72%	0.72	54%	0.539	S	S	*	.			trans	-64.5	97.2	163.4	-78.6	-178.9	-48.7	0	0	105.9	N331 E335	N331-Q333 PolarHBondContact O-N 3.45Å; Q333-E335 HydrophobicContact CB-CG 4.47Å; Q333-E335 PolarHBondContact O-N 2.81Å
334	S	48.9	Very low	57.7	Low	73 Å²	73	99.8 Å²	99.8	51%	0.51	52%	0.518	S	S	.	.			trans	-65.8	82	168.2	57	0	0	0	0	108.1	L332 N336	L332-S334 PolarHBondContact O-N 2.86Å; S334-N336 PolarHBondContact O-N 3.25Å; S334-N336 VanDerWaalsContact O-N 3.16Å
335	E	61.8	Low	59.3	Low	113 Å²	113	96.9 Å²	96.9	53%	0.528	51%	0.508	S	S	.	.			trans	-81.5	91.1	170.8	-70.2	-177.8	-178.4	0	0	107.5	Q333 K337	Q333-E335 HydrophobicContact CB-CG 4.47Å; Q333-E335 PolarHBondContact O-N 2.81Å; E335-K337 PolarHBondContact O-N 2.77Å
336	N	69.8	Low	60.6	Low	78 Å²	78	96.3 Å²	96.3	42%	0.417	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	113.2	158.2	-79.6	-2.1	0	0	0	106.6	S334 N431	S334-N336 PolarHBondContact O-N 3.25Å; S334-N336 VanDerWaalsContact O-N 3.16Å; N336-N431 PolarHBondContact OD1-OD1 3.35Å; N336-N431 VanDerWaalsContact OD1-OD1 3.1Å
337	K	82.6	Confident	61.5	Low	95 Å²	95	91.2 Å²	91.2	41%	0.413	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	142.5	176.9	-68.5	-166.1	178	-176.8	0	108.1	E335 W430 N432	E335-K337 PolarHBondContact O-N 2.77Å; K337-W430 HydrophobicContact CB-CD2 4Å; K337-W430 VanDerWaalsContact CB-CE2 3.41Å; K337-W430 HydrophobicContact CB-CH2 4.02Å; K337-W430 HydrophobicContact CB-CZ2 3.43Å; K337-W430 VanDerWaalsContact CB-CZ2 3.43Å; K337-W430 HydrophobicContact CD-CZ2 4.12Å; K337-W430 HydrophobicContact CG-CZ2 4.39Å; K337-W430 PolarHBondContact N-O 3.25Å; K337-W430 PolarHBondContact O-N 3.4Å; K337-N432 WeakPolarHBondContact CD-ND2 3.24Å
338	F	87.7	Confident	62.1	Low	86 Å²	86	93.7 Å²	93.7	38%	0.377	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	151.2	174.1	71.2	-81.5	0	0	0	111	R427 L428	F338-R427 HydrophobicContact CB-CG 4.47Å; F338-L428 CarbonylContact C-O 3.5Å; F338-L428 WeakPolarHBondContact CA-O 3.5Å; F338-L428 WeakPolarHBondContact CB-O 3.45Å
339	S	90.1	Very high	62.6	Low	16 Å²	16	92.8 Å²	92.8	11%	0.112	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	133.4	172.3	-177.2	0	0	0	0	109	Q309 W341 L428	Q309-S339 PolarHBondContact NE2-OG 2.97Å; Q309-S339 VanDerWaalsContact NE2-OG 3.16Å; S339-W341 PolarHBondContact OG-NE1 2.94Å; S339-W341 VanDerWaalsContact OG-NE1 3.09Å; S339-L428 PolarHBondContact N-O 2.78Å; S339-L428 PolarHBondContact O-N 3.42Å
340	L	92.1	Very high	62.9	Low	31 Å²	31	92.1 Å²	92.1	16%	0.162	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	131.9	-179.1	-162.2	72.8	0	0	0	110.2	V310 M387 F425 R427	V310-L340 HydrophobicContact CB-CB 4.28Å; V310-L340 HydrophobicContact CB-CD2 4.45Å; V310-L340 HydrophobicContact CG2-CD2 4.3Å; V310-L340 HydrophobicContact CG2-CG 4.39Å; V310-L340 PolarHBondContact N-O 3.33Å; L340-M387 HydrophobicContact CD1-CG 4.5Å; L340-F425 HydrophobicContact CD1-CB 3.59Å; L340-F425 HydrophobicContact CD1-CD1 4.46Å; L340-F425 HydrophobicContact CD1-CD2 4.46Å; L340-F425 HydrophobicContact CD1-CG 3.98Å; L340-F425 HydrophobicContact CD2-CB 4.37Å; L340-F425 HydrophobicContact CD2-CD1 3.74Å; L340-F425 HydrophobicContact CD2-CD2 4.14Å; L340-F425 HydrophobicContact CD2-CE1 3.93Å; L340-F425 HydrophobicContact CD2-CE2 4.27Å; L340-F425 HydrophobicContact CD2-CG 3.85Å; L340-F425 HydrophobicContact CD2-CZ 4.17Å; L340-F425 HydrophobicContact CG-CB 3.89Å; L340-F425 HydrophobicContact CG-CD1 3.88Å; L340-F425 HydrophobicContact CG-CG 3.9Å; L340-R427 HydrophobicContact CD1-CB 3.88Å; L340-R427 HydrophobicContact CD1-CG 4.43Å
341	W	93.5	Very high	63.1	Low	10 Å²	10	93 Å²	93	4%	0.038	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	125.6	-178	-66.1	83.3	0	0	0	109.4	L307 Q309 S339 F425 I426 I445 M448	L307-W341 HydrophobicContact CB-CB 4.19Å; L307-W341 HydrophobicContact CB-CE3 4.17Å; L307-W341 HydrophobicContact CD1-CB 4.08Å; Q309-W341 HydrophobicContact CB-CD2 4.06Å; Q309-W341 HydrophobicContact CB-CE3 3.83Å; Q309-W341 HydrophobicContact CB-CH2 3.83Å; Q309-W341 HydrophobicContact CB-CZ2 4.05Å; Q309-W341 HydrophobicContact CB-CZ3 3.72Å; Q309-W341 HydrophobicContact CG-CD2 4.24Å; Q309-W341 HydrophobicContact CG-CE3 4.5Å; Q309-W341 HydrophobicContact CG-CH2 4.25Å; Q309-W341 HydrophobicContact CG-CZ2 3.97Å; Q309-W341 VanDerWaalsContact N-CE3 3.29Å; S339-W341 PolarHBondContact OG-NE1 2.94Å; S339-W341 VanDerWaalsContact OG-NE1 3.09Å; W341-F425 CarbonylContact O-C 3.57Å; W341-F425 WeakPolarHBondContact O-CA 3.1Å; W341-F425 WeakPolarHBondContact O-CB 3.27Å; W341-I426 HydrophobicContact CB-CB 4.41Å; W341-I426 PolarHBondContact N-O 2.77Å; W341-I426 PolarHBondContact O-N 2.66Å; W341-I445 HydrophobicContact CH2-CB 4.42Å; W341-I445 HydrophobicContact CH2-CG2 3.76Å; W341-I445 HydrophobicContact CZ2-CB 3.93Å; W341-I445 HydrophobicContact CZ2-CG2 3.58Å; W341-M448 HydrophobicContact CB-SD 4Å; W341-M448 HydrophobicContact CD2-CB 4.19Å; W341-M448 HydrophobicContact CD2-SD 3.9Å; W341-M448 HydrophobicContact CE3-CB 3.82Å; W341-M448 HydrophobicContact CE3-SD 4.41Å; W341-M448 HydrophobicContact CG-SD 3.68Å; W341-M448 HydrophobicContact CH2-CB 4.45Å; W341-M448 HydrophobicContact CZ3-CB 3.96Å
342	K	91.2	Very high	63.4	Low	110 Å²	110	90.4 Å²	90.4	48%	0.478	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	132	-175.6	-176.4	-179.9	177.1	-173.7	0	110.7	H308 V310 A344 F425	H308-K342 PolarHBondContact N-O 3.09Å; H308-K342 PolarHBondContact O-N 2.66Å; V310-K342 HydrophobicContact CG2-CB 3.71Å; K342-A344 PolarHBondContact O-N 2.66Å; K342-F425 HydrophobicContact CB-CD1 3.99Å; K342-F425 HydrophobicContact CB-CE1 4.13Å; K342-F425 HydrophobicContact CG-CD1 4.25Å; K342-F425 HydrophobicContact CG-CE1 4.13Å
343	I	84.6	Confident	63.6	Low	10 Å²	10	91.2 Å²	91.2	5%	0.051	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	118.6	169.4	-51.7	175.1	0	0	0	107.8	L307 S345 L420 L423 K424	L307-I343 HydrophobicContact CD2-CB 4.02Å; L307-I343 HydrophobicContact CD2-CG1 3.68Å; L307-I343 HydrophobicContact CD2-CG2 4.32Å; I343-S345 VanDerWaalsContact C-N 3.35Å; I343-S345 PolarHBondContact O-N 3.2Å; I343-L420 HydrophobicContact CD1-CD1 4.3Å; I343-L420 HydrophobicContact CG2-CD1 4.28Å; I343-L423 HydrophobicContact CD1-CB 3.81Å; I343-L423 HydrophobicContact CD1-CD1 4.47Å; I343-K424 PolarHBondContact N-O 3.06Å
344	A	73.8	Confident	63.6	Low	31 Å²	31	91.4 Å²	91.4	26%	0.256	48%	0.479	S	S	.	.			trans	-68.9	92.5	177.2	0	0	0	0	0	109.4	K342 N346	K342-A344 PolarHBondContact O-N 2.66Å; A344-N346 PolarHBondContact O-N 3.43Å
345	S	60.7	Low	63.3	Low	80 Å²	80	91.9 Å²	91.9	56%	0.559	48%	0.483	S	S	*	.			trans	-69.4	79	177.7	-167.7	0	0	0	0	110.9	I343 L347	I343-S345 VanDerWaalsContact C-N 3.35Å; I343-S345 PolarHBondContact O-N 3.2Å; S345-L347 PolarHBondContact O-N 2.99Å; S345-L347 WeakPolarHBondContact OG-CD1 3.37Å
346	N	54	Low	62.3	Low	127 Å²	127	94 Å²	94	68%	0.679	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-75.8	15.3	165.4	-90.6	-27.3	0	0	0	112.3	A344 Q348 K349	A344-N346 PolarHBondContact O-N 3.43Å; N346-Q348 PolarHBondContact O-N 3.19Å; N346-Q348 VanDerWaalsContact O-N 3.08Å; N346-K349 PolarHBondContact O-N 3.09Å
347	L	49.2	Very low	61.2	Low	56 Å²	56	99.1 Å²	99.1	29%	0.293	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-60.8	-14.3	178.2	-87.4	133.7	0	0	0	114.5	S345 K349 T350 L420	S345-L347 PolarHBondContact O-N 2.99Å; S345-L347 WeakPolarHBondContact OG-CD1 3.37Å; L347-K349 VanDerWaalsContact C-N 3.26Å; L347-K349 PolarHBondContact O-N 3.24Å; L347-T350 PolarHBondContact O-OG1 2.94Å; L347-L420 HydrophobicContact CD1-CD2 4.13Å; L347-L420 HydrophobicContact CD1-CG 4.46Å
348	Q	42	Very low	59.8	Low	178 Å²	178	100 Å²	100	83%	0.832	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-72.8	-15.8	175.9	-71.9	-165.3	0.6	0	0	113.8	N346	N346-Q348 PolarHBondContact O-N 3.19Å; N346-Q348 VanDerWaalsContact O-N 3.08Å
349	K	45.5	Very low	58.5	Low	182 Å²	182	101.8 Å²	101.8	79%	0.791	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-83.8	-15.8	177.7	-81.6	-174.7	177.1	178.5	0	114.9	N346 L347	N346-K349 PolarHBondContact O-N 3.09Å; L347-K349 VanDerWaalsContact C-N 3.26Å; L347-K349 PolarHBondContact O-N 3.24Å
350	T	41.9	Very low	57.7	Low	86 Å²	86	103.8 Å²	103.8	53%	0.528	56%	0.558	S	S	.	*	G	3₁₀ helix	trans	-94.6	5.3	178.5	43.3	0	0	0	0	114.3	L347 A352	L347-T350 PolarHBondContact O-OG1 2.94Å; T350-A352 PolarHBondContact O-N 2.92Å
351	K	39	Very low	57.4	Low	179 Å²	179	103.4 Å²	103.4	78%	0.778	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-73.7	5.8	169.1	-86.7	-170.6	175.9	-175.9	0	114.5
352	A	41.4	Very low	57	Low	80 Å²	80	104.1 Å²	104.1	66%	0.661	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-85.9	-19.5	177.9	0	0	0	0	0	113.9	T350 N354	T350-A352 PolarHBondContact O-N 2.92Å; A352-N354 PolarHBondContact O-N 2.93Å
353	D	42	Very low	56.8	Low	140 Å²	140	99 Å²	99	75%	0.749	54%	0.537	S	S	*	.			trans	-97.8	79.8	179.6	-66.7	-25.2	0	0	0	110.3	S355	D353-S355 PolarHBondContact O-N 2.81Å
354	N	43.2	Very low	56.9	Low	159 Å²	159	98.6 Å²	98.6	85%	0.85	54%	0.535	S	S	*	.			trans	-68.8	75.3	164.7	-81.8	-29.4	0	0	0	110	A352	A352-N354 PolarHBondContact O-N 2.93Å
355	S	42.5	Very low	57.6	Low	83 Å²	83	97.1 Å²	97.1	58%	0.58	52%	0.523	S	S	*	.			trans	-173	132.4	158.3	48.9	0	0	0	0	111.1	D353	D353-S355 PolarHBondContact O-N 2.81Å
356	N	41.3	Very low	59.1	Low	157 Å²	157	93.3 Å²	93.3	84%	0.84	50%	0.496	S	S	*	.	S	Bend	trans	81.6	131.7	173	-55.6	-19.4	0	0	0	115.5	S358	N356-S358 PolarHBondContact O-N 2.61Å
357	E	46.8	Very low	60.8	Low	186 Å²	186	87.4 Å²	87.4	87%	0.869	47%	0.465	S	S	*	.			trans	-27.8	109.1	177.7	-67.8	172.6	152.7	0	0	111.4	K359	E357-K359 PolarHBondContact O-N 3.07Å
358	S	53.2	Low	62.9	Low	114 Å²	114	84.9 Å²	84.9	80%	0.797	45%	0.451	S	S	*	.			trans	-63.1	88.8	175.6	56.6	0	0	0	0	108	N356 S360	N356-S358 PolarHBondContact O-N 2.61Å; S358-S360 PolarHBondContact O-N 2.6Å
359	K	61.6	Low	65.2	Low	123 Å²	123	77.4 Å²	77.4	54%	0.535	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-51.3	118.8	168.8	-77.1	-173.6	178.5	-177.8	0	106.3	E357 E361	E357-K359 PolarHBondContact O-N 3.07Å; K359-E361 PolarHBondContact O-N 3.49Å
360	S	73.2	Confident	67.4	Low	57 Å²	57	69.4 Å²	69.4	40%	0.399	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-54.1	136.1	-178.5	-58.5	0	0	0	0	109.6	S358 F362	S358-S360 PolarHBondContact O-N 2.6Å; S360-F362 WeakPolarHBondContact O-CD2 3.35Å; S360-F362 WeakPolarHBondContact O-CE2 3.48Å
361	E	84	Confident	69.7	Low	23 Å²	23	70.7 Å²	70.7	11%	0.107	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-79.3	141.4	168.5	-71.9	-173.5	162.3	0	0	108.4	R303 K359 P419 L420 I452 K454	R303-E361 IonicContact CZ-OE1 2.7Å; R303-E361 IonicContact CZ-OE2 2.94Å; R303-E361 IonicContact NH1-OE1 3.62Å; R303-E361 PolarHBondContact NH1-OE1 2.63Å; R303-E361 IonicContact NH1-OE2 3.66Å; R303-E361 IonicContact NH2-OE1 3.86Å; R303-E361 IonicContact NH2-OE2 3.72Å; R303-E361 PolarHBondContact NH2-OE2 3.44Å; K359-E361 PolarHBondContact O-N 3.49Å; E361-P419 CarbonylContact O-C 3.55Å; E361-P419 WeakPolarHBondContact O-CA 3.23Å; E361-L420 HydrophobicContact CB-CB 3.99Å; E361-L420 HydrophobicContact CB-CD2 4.16Å; E361-L420 WeakPolarHBondContact O-CB 3.4Å; E361-L420 PolarHBondContact O-N 3.44Å; E361-I452 HydrophobicContact CB-CG2 3.7Å; E361-I452 HydrophobicContact CG-CG2 4.13Å; E361-K454 HydrophobicContact CG-CD 4.45Å; E361-K454 HydrophobicContact CG-CG 3.86Å; E361-K454 WeakPolarHBondContact OE1-CE 3.5Å; E361-K454 IonicContact OE1-NZ 2.94Å
362	F	85.8	Confident	72.1	Confident	26 Å²	26	62.5 Å²	62.5	11%	0.114	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	144.3	-177.8	-58.4	-83.8	0	0	0	111.1	S360 Y364 N417 Y418 P419 I452 T453 T456 F459	S360-F362 WeakPolarHBondContact O-CD2 3.35Å; S360-F362 WeakPolarHBondContact O-CE2 3.48Å; F362-Y364 PolarHBondContact O-N 3.08Å; F362-N417 HydrophobicContact CD1-CB 3.99Å; F362-N417 HydrophobicContact CE1-CB 4.21Å; F362-Y418 WeakPolarHBondContact CA-O 3.4Å; F362-P419 HydrophobicContact CE1-CG 4.33Å; F362-I452 WeakPolarHBondContact O-CA 3.32Å; F362-T453 PolarHBondContact N-O 3.24Å; F362-T453 PolarHBondContact O-N 2.65Å; F362-T456 HydrophobicContact CD2-CG2 3.94Å; F362-T456 HydrophobicContact CE2-CG2 3.28Å; F362-T456 HydrophobicContact CZ-CG2 3.71Å; F362-F459 HydrophobicContact CB-CE2 3.89Å; F362-F459 HydrophobicContact CB-CZ 3.9Å; F362-F459 HydrophobicContact CG-CE2 4.48Å
363	L	87.3	Confident	74.2	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.005	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	116.4	169.2	175.5	64.3	0	0	0	109.5	I366 S386 Y418 L423 I426 V450 F459	L363-I366 HydrophobicContact CD1-CG1 4.39Å; L363-I366 HydrophobicContact CD2-CD1 4.45Å; L363-S386 VanDerWaalsContact CD2-OG 3.31Å; L363-S386 WeakPolarHBondContact CD2-OG 3.49Å; L363-Y418 PolarHBondContact N-O 2.75Å; L363-L423 HydrophobicContact CB-CD1 3.69Å; L363-L423 HydrophobicContact CD2-CD1 3.93Å; L363-L423 HydrophobicContact CG-CD1 4.43Å; L363-I426 HydrophobicContact CD2-CD1 3.97Å; L363-V450 HydrophobicContact CD1-CB 3.73Å; L363-V450 HydrophobicContact CD1-CG1 3.79Å; L363-F459 WeakPolarHBondContact O-CE1 3.44Å; L363-F459 VanDerWaalsContact O-CZ 3.28Å; L363-F459 WeakPolarHBondContact O-CZ 3.4Å
364	Y	86.6	Confident	76.3	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.008	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	-56.5	-175.6	-178.6	-127.7	0	0	0	112.5	K298 L301 F362 F413 C414 R451 T453 L458 F459	K298-Y364 VanDerWaalsContact O-CE1 3.27Å; K298-Y364 WeakPolarHBondContact O-CE1 3.43Å; K298-Y364 PolarHBondContact O-OH 2.85Å; L301-Y364 HydrophobicContact CB-CE1 4.38Å; F362-Y364 PolarHBondContact O-N 3.08Å; Y364-F413 HydrophobicContact CE1-CD1 4.32Å; Y364-F413 AromaticContact CE1-CE1 3.85Å; Y364-F413 HydrophobicContact CE1-CE1 3.85Å; Y364-F413 HydrophobicContact CE2-CD1 4.16Å; Y364-F413 HydrophobicContact CE2-CE1 4.34Å; Y364-F413 AromaticContact CZ-CD1 3.98Å; Y364-F413 AromaticContact CZ-CE1 3.7Å; Y364-C414 PolarHBondContact O-N 2.77Å; Y364-R451 WeakPolarHBondContact CB-O 3.27Å; Y364-R451 HydrophobicContact CD1-CB 4.37Å; Y364-R451 PolarHBondContact N-O 2.78Å; Y364-T453 HydrophobicContact CD2-CG2 4.34Å; Y364-T453 HydrophobicContact CG-CG2 4.18Å; Y364-L458 HydrophobicContact CD2-CB 4.4Å; Y364-L458 HydrophobicContact CE2-CB 3.84Å; Y364-F459 HydrophobicContact CD2-CD1 4.33Å; Y364-F459 AromaticContact CD2-CE1 3.97Å; Y364-F459 HydrophobicContact CD2-CE1 3.97Å; Y364-F459 HydrophobicContact CD2-CE2 4.24Å; Y364-F459 AromaticContact CD2-CZ 3.92Å; Y364-F459 HydrophobicContact CD2-CZ 3.92Å
365	S	89.1	Confident	78.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	160.7	179.7	66.6	0	0	0	0	112.4	L412 V450 R451	S365-L412 CarbonylContact C-O 3.42Å; S365-L412 VanDerWaalsContact CA-O 3.25Å; S365-L412 WeakPolarHBondContact CA-O 3.14Å; S365-L412 WeakPolarHBondContact CB-O 3.34Å; S365-V450 WeakPolarHBondContact O-CA 3.36Å; S365-R451 PolarHBondContact O-N 2.76Å; S365-R451 WeakPolarHBondContact OG-CB 3.41Å
366	I	91.3	Very high	80	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127.7	176.9	-55.5	176.6	0	0	0	107.8	L363 M368 I384 L412 I426 M448 F449 V450	L363-I366 HydrophobicContact CD1-CG1 4.39Å; L363-I366 HydrophobicContact CD2-CD1 4.45Å; I366-M368 HydrophobicContact CG2-CG 4.47Å; I366-I384 HydrophobicContact CD1-CG2 3.67Å; I366-L412 HydrophobicContact CB-CB 4.4Å; I366-L412 PolarHBondContact N-O 2.95Å; I366-L412 PolarHBondContact O-N 3.31Å; I366-I426 HydrophobicContact CD1-CD1 3.95Å; I366-I426 HydrophobicContact CD1-CG1 4.33Å; I366-I426 HydrophobicContact CD1-CG2 4.1Å; I366-M448 HydrophobicContact CG2-CE 3.61Å; I366-M448 HydrophobicContact CG2-CG 4.29Å; I366-M448 HydrophobicContact CG2-SD 4.46Å; I366-F449 WeakPolarHBondContact CA-O 3.18Å; I366-V450 HydrophobicContact CG1-CG1 4.33Å
367	Q	90.7	Very high	81.9	Confident	4 Å²	4	42.3 Å²	42.3	2%	0.019	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	138.6	174.4	-178.4	177.1	0.5	0	0	109	Y411 M448 F449	Q367-Y411 HydrophobicContact CB-CD1 4.26Å; Q367-Y411 HydrophobicContact CB-CE1 4.48Å; Q367-Y411 HydrophobicContact CG-CD1 4.34Å; Q367-Y411 HydrophobicContact CG-CE1 4.21Å; Q367-M448 WeakPolarHBondContact O-CA 3.3Å; Q367-F449 HydrophobicContact CB-CB 4.38Å; Q367-F449 PolarHBondContact N-O 2.66Å; Q367-F449 PolarHBondContact O-N 2.76Å
368	M	92.1	Very high	83.5	Confident	2 Å²	2	36 Å²	36	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	135.7	-178.4	-74.4	168.3	-78.3	0	0	109	I366 I399 L407 N408 L428 I445 M448	I366-M368 HydrophobicContact CG2-CG 4.47Å; M368-I399 HydrophobicContact CE-CD1 3.5Å; M368-I399 VanDerWaalsContact CE-CD1 3.5Å; M368-L407 HydrophobicContact CB-CB 3.86Å; M368-L407 HydrophobicContact CB-CD1 4.11Å; M368-L407 HydrophobicContact CB-CG 4.47Å; M368-L407 CarbonylContact O-C 3.46Å; M368-L407 WeakPolarHBondContact O-CB 3.15Å; M368-L407 HydrophobicContact SD-CD1 4.47Å; M368-N408 VanDerWaalsContact O-CA 3.29Å; M368-N408 WeakPolarHBondContact O-CA 3.3Å; M368-N408 PolarHBondContact O-N 2.79Å; M368-N408 VanDerWaalsContact O-N 3.12Å; M368-L428 HydrophobicContact SD-CD2 4.37Å; M368-I445 HydrophobicContact SD-CD1 4.14Å; M368-M448 HydrophobicContact CE-CE 4.5Å; M368-M448 HydrophobicContact CG-CE 3.36Å; M368-M448 HydrophobicContact CG-CG 3.82Å; M368-M448 HydrophobicContact CG-SD 4.39Å; M368-M448 HydrophobicContact SD-CE 3.41Å; M368-M448 WeakPolarHBondContact SD-CE 3.48Å
369	D	91.6	Very high	84.9	Confident	22 Å²	22	31 Å²	31	12%	0.118	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	136.2	167.2	-60.7	-23.1	0	0	0	108.8	K240 I445 T446 Q447	K240-D369 IonicContact NZ-OD1 3.84Å; K240-D369 IonicContact NZ-OD2 2.66Å; K240-D369 PolarHBondContact NZ-OD2 2.82Å; D369-I445 CarbonylContact O-C 3.6Å; D369-I445 WeakPolarHBondContact O-CA 3.35Å; D369-T446 WeakPolarHBondContact CB-OG1 3.18Å; D369-T446 PolarHBondContact O-N 2.79Å; D369-T446 PolarHBondContact O-OG1 2.96Å; D369-Q447 HydrophobicContact CB-CB 4.18Å; D369-Q447 PolarHBondContact N-O 2.61Å; D369-Q447 PolarHBondContact OD2-OE1 2.93Å
370	G	91	Very high	85.8	Confident	14 Å²	14	27.5 Å²	27.5	14%	0.144	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	136.9	-161.6	-177.8	0	0	0	0	0	112.4	L407 N444	G370-L407 PolarHBondContact O-N 3.4Å; G370-N444 CarbonylContact C-O 3.55Å; G370-N444 VanDerWaalsContact CA-O 3.23Å; G370-N444 WeakPolarHBondContact CA-O 3.44Å
371	Y	90.4	Very high	86.5	Confident	113 Å²	113	26.3 Å²	26.3	44%	0.443	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	150.6	-174.7	62	-90.4	0	0	0	113.2	S405 N444	Y371-S405 CarbonylContact C-O 3.59Å; Y371-S405 WeakPolarHBondContact CA-O 3.26Å; Y371-S405 WeakPolarHBondContact CB-O 2.89Å; Y371-N444 HydrophobicContact CD1-CB 4.07Å; Y371-N444 HydrophobicContact CD2-CB 4.23Å; Y371-N444 HydrophobicContact CE1-CB 3.61Å; Y371-N444 WeakPolarHBondContact CE1-ND2 3.44Å; Y371-N444 HydrophobicContact CE2-CB 3.79Å; Y371-N444 HydrophobicContact CG-CB 4.36Å; Y371-N444 VanDerWaalsContact CZ-CB 3.45Å; Y371-N444 PolarHBondContact N-O 3.22Å; Y371-N444 PolarHBondContact O-N 2.98Å; Y371-N444 PolarHBondContact OH-ND2 2.9Å
372	L	89.6	Confident	86.8	Confident	7 Å²	7	25.2 Å²	25.2	4%	0.037	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	128.9	166.4	-55.3	-177.2	0	0	0	108.3	L382 I399 S405 L407 L441 Y442 V443	L372-L382 HydrophobicContact CD1-CD2 4.42Å; L372-L382 HydrophobicContact CD2-CD2 3.97Å; L372-I399 HydrophobicContact CD1-CG2 3.76Å; L372-S405 PolarHBondContact N-O 3.09Å; L372-S405 WeakPolarHBondContact O-CB 3.44Å; L372-L407 HydrophobicContact CD1-CD2 3.89Å; L372-L407 HydrophobicContact CD2-CD1 3.97Å; L372-L407 HydrophobicContact CD2-CD2 4.27Å; L372-L407 HydrophobicContact CD2-CG 4.37Å; L372-L407 HydrophobicContact CG-CD1 4.21Å; L372-L407 HydrophobicContact CG-CD2 3.81Å; L372-L407 HydrophobicContact CG-CG 4.06Å; L372-L441 HydrophobicContact CB-CD1 4.31Å; L372-Y442 WeakPolarHBondContact CA-O 3.4Å; L372-V443 HydrophobicContact CD2-CB 4.22Å; L372-V443 HydrophobicContact CD2-CG1 3.92Å; L372-V443 HydrophobicContact CD2-CG2 3.96Å
373	Y	84.6	Confident	87.1	Confident	62 Å²	62	27 Å²	27	24%	0.243	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	130.9	176.8	171.4	-105.6	0	0	0	110.1	R131 Q132 Y442	R131-Y373 HydrophobicContact CB-CE2 3.77Å; R131-Y373 HydrophobicContact CG-CE2 4.42Å; Q132-Y373 WeakPolarHBondContact CG-OH 3.44Å; Y373-Y442 AromaticContact CD1-CD2 3.36Å; Y373-Y442 HydrophobicContact CD1-CD2 3.36Å; Y373-Y442 AromaticContact CD1-CE2 3.99Å; Y373-Y442 HydrophobicContact CD1-CE2 3.99Å; Y373-Y442 AromaticContact CD1-CG 3.97Å; Y373-Y442 HydrophobicContact CD1-CG 3.97Å; Y373-Y442 AromaticContact CE1-CD2 3.82Å; Y373-Y442 HydrophobicContact CE1-CD2 3.82Å; Y373-Y442 AromaticContact CE1-CE2 3.97Å; Y373-Y442 HydrophobicContact CE1-CE2 3.97Å; Y373-Y442 HydrophobicContact CG-CD2 4.46Å; Y373-Y442 PolarHBondContact N-O 3.12Å; Y373-Y442 PolarHBondContact O-N 2.85Å
374	C	86	Confident	87.4	Confident	6 Å²	6	27 Å²	27	4%	0.041	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	129	178.2	-179.4	0	0	0	0	110.2	K376 C379	C374-K376 PolarHBondContact O-N 2.72Å; C374-K376 PolarHBondContact SG-O 3.33Å; C374-C379 WeakPolarHBondContact CA-SG 3.33Å; C374-C379 HydrophobicContact CB-CB 3.82Å; C374-C379 WeakPolarHBondContact CB-SG 3.11Å; C374-C379 WeakPolarHBondContact SG-CB 3.41Å; C374-C379 PolarHBondContact SG-N 2.91Å; C374-C379 CovalentContact SG-SG 2.01Å; C374-C379 PolarHBondContact SG-SG 2.8Å
375	S	81.6	Confident	87.6	Confident	22 Å²	22	29 Å²	29	15%	0.154	14%	0.143	C	C	.	.	S	Bend	trans	-76.1	-7.2	-177.6	94.4	0	0	0	0	114.6	Q132 G439 Y440	Q132-S375 PolarHBondContact NE2-O 3.19Å; S375-G439 WeakPolarHBondContact OG-CA 3.46Å; S375-Y440 PolarHBondContact N-O 3.3Å; S375-Y440 PolarHBondContact OG-N 3.21Å
376	K	81.8	Confident	87.7	Confident	94 Å²	94	29.1 Å²	29.1	41%	0.409	14%	0.144	S	C	.	.	S	Bend	trans	-141.2	-171.3	176.5	-68.3	-170.4	179.2	171.8	0	108.6	C374 V378 E436	C374-K376 PolarHBondContact O-N 2.72Å; C374-K376 PolarHBondContact SG-O 3.33Å; K376-V378 VanDerWaalsContact C-N 3.34Å; K376-E436 PolarHBondContact NZ-O 2.98Å
377	A	81.2	Confident	87.5	Confident	10 Å²	10	29.8 Å²	29.8	8%	0.083	15%	0.147	C	C	.	.	S	Bend	trans	-59.2	-42.7	173.8	0	0	0	0	0	113.2	L121 D124 E125 L402	L121-A377 HydrophobicContact CD1-CB 3.73Å; D124-A377 HydrophobicContact CB-CB 3.69Å; E125-A377 HydrophobicContact CB-CB 4.36Å; E125-A377 HydrophobicContact CG-CB 3.61Å; A377-L402 VanDerWaalsContact O-CD2 3.26Å; A377-L402 WeakPolarHBondContact O-CD2 3.4Å
378	V	81.1	Confident	87.3	Confident	54 Å²	54	30.4 Å²	30.4	33%	0.327	15%	0.15	S	C	.	.	B	Isolated β-bridge	trans	-124.6	134.7	-175.7	-177.2	0	0	0	0	109.6	L121 K376 A438 G439	L121-V378 HydrophobicContact CD1-CG2 4.2Å; K376-V378 VanDerWaalsContact C-N 3.34Å; V378-A438 CarbonylContact O-C 3.6Å; V378-A438 VanDerWaalsContact O-CA 3.31Å; V378-A438 WeakPolarHBondContact O-CA 3.44Å; V378-G439 PolarHBondContact O-N 3.04Å
379	C	82.5	Confident	86.8	Confident	9 Å²	9	36.6 Å²	36.6	6%	0.061	18%	0.177	C	C	.	.			trans	-127.6	171.2	171.5	-73.2	0	0	0	0	110.4	C374 G439 Y440 L441	C374-C379 WeakPolarHBondContact CA-SG 3.33Å; C374-C379 HydrophobicContact CB-CB 3.82Å; C374-C379 WeakPolarHBondContact CB-SG 3.11Å; C374-C379 WeakPolarHBondContact SG-CB 3.41Å; C374-C379 PolarHBondContact SG-N 2.91Å; C374-C379 CovalentContact SG-SG 2.01Å; C374-C379 PolarHBondContact SG-SG 2.8Å; C379-G439 PolarHBondContact SG-O 2.7Å; C379-G439 VanDerWaalsContact SG-O 3.41Å; C379-Y440 VanDerWaalsContact SG-C 3.52Å; C379-Y440 PolarHBondContact SG-O 2.98Å; C379-L441 HydrophobicContact CB-CB 4.18Å; C379-L441 HydrophobicContact CB-CD1 4.27Å
380	D	79.8	Confident	86.4	Confident	50 Å²	50	41.4 Å²	41.4	27%	0.267	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-71	169.8	170.7	-145.2	-32	0	0	0	111.5	N431	D380-N431 HydrophobicContact CB-CB 4.38Å; D380-N431 WeakPolarHBondContact CB-O 3.31Å; D380-N431 WeakPolarHBondContact OD2-CB 3.22Å
381	T	88	Confident	86	Confident	31 Å²	31	45.7 Å²	45.7	19%	0.19	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-83.4	149.9	178.3	54.7	0	0	0	0	111.8	I399 D400	T381-I399 WeakPolarHBondContact CA-O 3.41Å; T381-D400 HydrophobicContact CG2-CB 4.28Å
382	L	91.3	Very high	85.7	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	116.4	167.4	176.8	63.7	0	0	0	108.8	L372 I384 E398 I399 L428 W430 L441 V443	L372-L382 HydrophobicContact CD1-CD2 4.42Å; L372-L382 HydrophobicContact CD2-CD2 3.97Å; L382-I384 HydrophobicContact CG-CD1 4.26Å; L382-I384 WeakPolarHBondContact O-CD1 3.48Å; L382-E398 CarbonylContact O-C 3.5Å; L382-E398 WeakPolarHBondContact O-CA 3.45Å; L382-I399 HydrophobicContact CB-CB 4.34Å; L382-I399 PolarHBondContact N-O 2.99Å; L382-I399 PolarHBondContact O-N 3.43Å; L382-L428 HydrophobicContact CD1-CB 4.13Å; L382-W430 HydrophobicContact CD1-CB 4.19Å; L382-W430 HydrophobicContact CD1-CD2 4.36Å; L382-W430 HydrophobicContact CD1-CE3 3.75Å; L382-L441 HydrophobicContact CB-CD2 4.28Å; L382-V443 HydrophobicContact CD1-CG2 4.25Å; L382-V443 HydrophobicContact CD2-CG1 4.36Å
383	K	92	Very high	85.6	Confident	64 Å²	64	48.2 Å²	48.2	28%	0.278	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	136.8	176.8	-55.1	-167.2	179.6	-123.1	0	110.6	Y385 L395 E398 L428 E429	K383-Y385 HydrophobicContact CB-CD2 4.27Å; K383-Y385 HydrophobicContact CB-CE2 3.5Å; K383-Y385 HydrophobicContact CD-CE2 4.32Å; K383-Y385 WeakPolarHBondContact CD-OH 3.22Å; K383-L395 HydrophobicContact CB-CD1 4.3Å; K383-E398 HydrophobicContact CB-CG 4.48Å; K383-E398 WeakPolarHBondContact CE-OE1 3.19Å; K383-E398 HydrophobicContact CG-CG 4.08Å; K383-E398 IonicContact NZ-OE1 2.72Å; K383-E398 PolarHBondContact NZ-OE1 3.46Å; K383-E398 IonicContact NZ-OE2 3.21Å; K383-L428 WeakPolarHBondContact O-CA 3.12Å; K383-E429 WeakPolarHBondContact CB-O 3.4Å; K383-E429 PolarHBondContact N-O 3.43Å; K383-E429 PolarHBondContact O-N 2.84Å
384	I	92.8	Very high	85.7	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	117.9	-177.1	-56.6	90.5	0	0	0	108.5	I366 L382 C396 G397 I399 L412 I426 L428	I366-I384 HydrophobicContact CD1-CG2 3.67Å; L382-I384 HydrophobicContact CG-CD1 4.26Å; L382-I384 WeakPolarHBondContact O-CD1 3.48Å; I384-C396 HydrophobicContact CG2-CB 4.47Å; I384-C396 WeakPolarHBondContact O-CB 3.38Å; I384-C396 PolarHBondContact O-N 3.13Å; I384-G397 WeakPolarHBondContact CD1-O 3.37Å; I384-G397 PolarHBondContact N-O 3.1Å; I384-G397 PolarHBondContact O-N 2.94Å; I384-I399 HydrophobicContact CD1-CD1 3.93Å; I384-I399 HydrophobicContact CD1-CG1 3.84Å; I384-L412 HydrophobicContact CB-CD2 3.68Å; I384-L412 HydrophobicContact CD1-CD2 3.71Å; I384-L412 HydrophobicContact CG1-CD2 3.75Å; I384-L412 HydrophobicContact CG2-CD2 3.84Å; I384-I426 HydrophobicContact CG2-CG2 3.85Å; I384-L428 HydrophobicContact CB-CD2 4.19Å; I384-L428 HydrophobicContact CG1-CD2 3.54Å; I384-L428 HydrophobicContact CG2-CD2 4.02Å
385	Y	91.7	Very high	85.8	Confident	45 Å²	45	50.1 Å²	50.1	18%	0.176	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	138.3	-179.7	-63	-90.9	0	0	0	111	K383 A393 I394 L395 I426 R427 E429	K383-Y385 HydrophobicContact CB-CD2 4.27Å; K383-Y385 HydrophobicContact CB-CE2 3.5Å; K383-Y385 HydrophobicContact CD-CE2 4.32Å; K383-Y385 WeakPolarHBondContact CD-OH 3.22Å; Y385-A393 HydrophobicContact CD1-CB 4.12Å; Y385-A393 HydrophobicContact CG-CB 4.44Å; Y385-I394 CarbonylContact C-O 3.5Å; Y385-I394 VanDerWaalsContact CA-O 3.25Å; Y385-I394 WeakPolarHBondContact CA-O 3.44Å; Y385-L395 HydrophobicContact CD1-CB 4.09Å; Y385-L395 HydrophobicContact CD1-CD1 4.18Å; Y385-L395 HydrophobicContact CE1-CB 3.85Å; Y385-L395 HydrophobicContact CE1-CD1 3.74Å; Y385-L395 HydrophobicContact CE1-CG 4.4Å; Y385-L395 HydrophobicContact CE2-CD1 4.3Å; Y385-I426 CarbonylContact O-C 3.55Å; Y385-I426 WeakPolarHBondContact O-CA 3.43Å; Y385-R427 PolarHBondContact N-O 2.83Å; Y385-R427 PolarHBondContact O-N 3.19Å; Y385-E429 HydrophobicContact CD2-CB 4.35Å; Y385-E429 HydrophobicContact CE2-CB 4.09Å
386	S	90.3	Very high	86.2	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.014	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	125.8	164.3	-63.8	0	0	0	0	108.9	L363 I394	L363-S386 VanDerWaalsContact CD2-OG 3.31Å; L363-S386 WeakPolarHBondContact CD2-OG 3.49Å; S386-I394 PolarHBondContact N-O 3.38Å; S386-I394 PolarHBondContact O-N 3.08Å
387	M	88.5	Confident	86.5	Confident	14 Å²	14	45 Å²	45	7%	0.069	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	130.1	-177.2	-55	-68.9	-56.4	0	0	110.2	L340 N391 E392 A393 K424 F425 R427	L340-M387 HydrophobicContact CD1-CG 4.5Å; M387-N391 HydrophobicContact CE-CB 4.14Å; M387-N391 WeakPolarHBondContact CE-O 3.41Å; M387-E392 WeakPolarHBondContact CA-O 3.47Å; M387-A393 HydrophobicContact CE-CB 3.87Å; M387-A393 VanDerWaalsContact SD-CA 3.53Å; M387-A393 HydrophobicContact SD-CB 3.29Å; M387-A393 WeakPolarHBondContact SD-CB 3.19Å; M387-K424 PolarHBondContact O-N 3.27Å; M387-F425 HydrophobicContact CB-CB 3.99Å; M387-F425 HydrophobicContact CB-CD2 4.43Å; M387-F425 WeakPolarHBondContact CB-O 3.26Å; M387-F425 HydrophobicContact CG-CB 4.26Å; M387-F425 PolarHBondContact N-O 3.07Å; M387-F425 PolarHBondContact O-N 3.23Å; M387-R427 HydrophobicContact CG-CB 3.78Å; M387-R427 HydrophobicContact SD-CB 3.99Å
388	D	85.9	Confident	87	Confident	18 Å²	18	48 Å²	48	10%	0.096	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-177.6	175.8	87.6	-16.3	0	0	0	112.9	N390 N391 E392 K422	D388-N390 PolarHBondContact O-N 2.96Å; D388-N390 VanDerWaalsContact OD1-C 3.27Å; D388-N390 VanDerWaalsContact OD1-CA 3.27Å; D388-N390 WeakPolarHBondContact OD1-CA 3.33Å; D388-N390 WeakPolarHBondContact OD1-CB 3.46Å; D388-N390 PolarHBondContact OD1-N 3.34Å; D388-N390 PolarHBondContact OD2-ND2 3.38Å; D388-N391 PolarHBondContact O-N 3.21Å; D388-N391 PolarHBondContact OD1-N 3.2Å; D388-E392 PolarHBondContact N-O 2.04Å; D388-E392 VanDerWaalsContact N-O 3.12Å; D388-E392 PolarHBondContact OD1-N 2.99Å; D388-K422 CarbonylContact C-O 3.42Å; D388-K422 WeakPolarHBondContact CA-O 3.46Å; D388-K422 WeakPolarHBondContact CB-O 3.28Å
389	K	82	Confident	87.4	Confident	132 Å²	132	45.4 Å²	45.4	57%	0.574	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-22.4	175.9	-73.9	170.9	176.4	165.5	0	114.1	D421 K422 K424	K389-D421 WeakPolarHBondContact CE-O 3.12Å; K389-D421 PolarHBondContact NZ-O 3.37Å; K389-K422 PolarHBondContact N-O 2.85Å; K389-K424 HydrophobicContact CG-CB 4.43Å
390	N	83	Confident	87.6	Confident	123 Å²	123	47.2 Å²	47.2	66%	0.658	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	1.4	178.3	-55.7	-43	0	0	0	112.6	D388 E392	D388-N390 PolarHBondContact O-N 2.96Å; D388-N390 VanDerWaalsContact OD1-C 3.27Å; D388-N390 VanDerWaalsContact OD1-CA 3.27Å; D388-N390 WeakPolarHBondContact OD1-CA 3.33Å; D388-N390 WeakPolarHBondContact OD1-CB 3.46Å; D388-N390 PolarHBondContact OD1-N 3.34Å; D388-N390 PolarHBondContact OD2-ND2 3.38Å; N390-E392 VanDerWaalsContact C-N 3.29Å; N390-E392 HydrophobicContact CB-CG 4.44Å
391	N	81	Confident	87.9	Confident	104 Å²	104	45.2 Å²	45.2	56%	0.556	23%	0.232	S	C	*	.			trans	65.6	24.4	-172.3	-50.7	-40.3	0	0	0	114.2	M387 D388 A393	M387-N391 HydrophobicContact CE-CB 4.14Å; M387-N391 WeakPolarHBondContact CE-O 3.41Å; D388-N391 PolarHBondContact O-N 3.21Å; D388-N391 PolarHBondContact OD1-N 3.2Å; N391-A393 PolarHBondContact O-N 3.24Å
392	E	85.7	Confident	87.6	Confident	124 Å²	124	45.3 Å²	45.3	58%	0.579	23%	0.231	S	C	*	.			trans	-72.2	126.7	165.8	-65.3	-173.4	166	0	0	109.1	M387 D388 N390	M387-E392 WeakPolarHBondContact CA-O 3.47Å; D388-E392 PolarHBondContact N-O 2.04Å; D388-E392 VanDerWaalsContact N-O 3.12Å; D388-E392 PolarHBondContact OD1-N 2.99Å; N390-E392 VanDerWaalsContact C-N 3.29Å; N390-E392 HydrophobicContact CB-CG 4.44Å
393	A	86.2	Confident	87.3	Confident	48 Å²	48	48.6 Å²	48.6	40%	0.397	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	123.9	-178.2	0	0	0	0	0	110.1	Y385 M387 N391	Y385-A393 HydrophobicContact CD1-CB 4.12Å; Y385-A393 HydrophobicContact CG-CB 4.44Å; M387-A393 HydrophobicContact CE-CB 3.87Å; M387-A393 VanDerWaalsContact SD-CA 3.53Å; M387-A393 HydrophobicContact SD-CB 3.29Å; M387-A393 WeakPolarHBondContact SD-CB 3.19Å; N391-A393 PolarHBondContact O-N 3.24Å
394	I	87.1	Confident	87	Confident	39 Å²	39	45.8 Å²	45.8	20%	0.2	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.1	169.7	-59.5	109.4	0	0	0	110	Y385 S386 C396 Y418	Y385-I394 CarbonylContact C-O 3.5Å; Y385-I394 VanDerWaalsContact CA-O 3.25Å; Y385-I394 WeakPolarHBondContact CA-O 3.44Å; S386-I394 PolarHBondContact N-O 3.38Å; S386-I394 PolarHBondContact O-N 3.08Å; I394-C396 PolarHBondContact O-N 3.35Å; I394-Y418 HydrophobicContact CB-CE2 3.86Å; I394-Y418 HydrophobicContact CD1-CD1 4.41Å; I394-Y418 HydrophobicContact CD1-CE1 3.41Å; I394-Y418 VanDerWaalsContact CD1-CE1 3.41Å; I394-Y418 HydrophobicContact CD1-CE2 4.2Å; I394-Y418 WeakPolarHBondContact CD1-OH 3.24Å; I394-Y418 HydrophobicContact CG1-CE1 4.23Å; I394-Y418 HydrophobicContact CG1-CE2 4.25Å; I394-Y418 WeakPolarHBondContact CG1-OH 3.33Å; I394-Y418 HydrophobicContact CG2-CE2 3.59Å; I394-Y418 WeakPolarHBondContact CG2-OH 3.42Å
395	L	89.2	Confident	86.8	Confident	69 Å²	69	46 Å²	46	36%	0.361	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	119.1	177.3	-173.5	66.7	0	0	0	109.5	K383 Y385 G397 E398	K383-L395 HydrophobicContact CB-CD1 4.3Å; Y385-L395 HydrophobicContact CD1-CB 4.09Å; Y385-L395 HydrophobicContact CD1-CD1 4.18Å; Y385-L395 HydrophobicContact CE1-CB 3.85Å; Y385-L395 HydrophobicContact CE1-CD1 3.74Å; Y385-L395 HydrophobicContact CE1-CG 4.4Å; Y385-L395 HydrophobicContact CE2-CD1 4.3Å; L395-G397 WeakPolarHBondContact CD1-O 3.28Å; L395-E398 HydrophobicContact CD1-CG 3.98Å; L395-E398 HydrophobicContact CD2-CG 4.26Å
396	C	88.7	Confident	86.7	Confident	6 Å²	6	44.5 Å²	44.5	4%	0.041	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-41.2	169.5	163.8	0	0	0	0	110.3	I384 I394 C414	I384-C396 HydrophobicContact CG2-CB 4.47Å; I384-C396 WeakPolarHBondContact O-CB 3.38Å; I384-C396 PolarHBondContact O-N 3.13Å; I394-C396 PolarHBondContact O-N 3.35Å; C396-C414 HydrophobicContact CB-CB 4.02Å; C396-C414 WeakPolarHBondContact CB-SG 3.43Å; C396-C414 WeakPolarHBondContact SG-CA 3.28Å; C396-C414 WeakPolarHBondContact SG-CB 3.46Å; C396-C414 CovalentContact SG-SG 2.04Å; C396-C414 PolarHBondContact SG-SG 2.9Å
397	G	89.1	Confident	86.7	Confident	4 Å²	4	44.4 Å²	44.4	4%	0.041	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.2	-176.5	175.3	0	0	0	0	0	113.1	I384 L395	I384-G397 WeakPolarHBondContact CD1-O 3.37Å; I384-G397 PolarHBondContact N-O 3.1Å; I384-G397 PolarHBondContact O-N 2.94Å; L395-G397 WeakPolarHBondContact CD1-O 3.28Å
398	E	90.3	Very high	86.5	Confident	72 Å²	72	47 Å²	47	34%	0.336	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	147.4	-176.5	-56.3	-173.6	166.8	0	0	109.7	L382 K383 L395 I467	L382-E398 CarbonylContact O-C 3.5Å; L382-E398 WeakPolarHBondContact O-CA 3.45Å; K383-E398 HydrophobicContact CB-CG 4.48Å; K383-E398 WeakPolarHBondContact CE-OE1 3.19Å; K383-E398 HydrophobicContact CG-CG 4.08Å; K383-E398 IonicContact NZ-OE1 2.72Å; K383-E398 PolarHBondContact NZ-OE1 3.46Å; K383-E398 IonicContact NZ-OE2 3.21Å; L395-E398 HydrophobicContact CD1-CG 3.98Å; L395-E398 HydrophobicContact CD2-CG 4.26Å; E398-I467 WeakPolarHBondContact O-CD1 2.97Å
399	I	90	Very high	86.2	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	123.3	177.2	-60.9	173.8	0	0	0	108.6	M368 L372 T381 L382 I384 V404 L407 Y410	M368-I399 HydrophobicContact CE-CD1 3.5Å; M368-I399 VanDerWaalsContact CE-CD1 3.5Å; L372-I399 HydrophobicContact CD1-CG2 3.76Å; T381-I399 WeakPolarHBondContact CA-O 3.41Å; L382-I399 HydrophobicContact CB-CB 4.34Å; L382-I399 PolarHBondContact N-O 2.99Å; L382-I399 PolarHBondContact O-N 3.43Å; I384-I399 HydrophobicContact CD1-CD1 3.93Å; I384-I399 HydrophobicContact CD1-CG1 3.84Å; I399-V404 HydrophobicContact CG2-CB 3.82Å; I399-V404 HydrophobicContact CG2-CG1 4.28Å; I399-V404 HydrophobicContact CG2-CG2 4.37Å; I399-L407 HydrophobicContact CD1-CD2 4.06Å; I399-Y410 HydrophobicContact CD1-CD1 4.14Å; I399-Y410 HydrophobicContact CD1-CE1 3.75Å; I399-Y410 HydrophobicContact CG1-CE1 4.07Å
400	D	87.1	Confident	86.1	Confident	46 Å²	46	40.4 Å²	40.4	25%	0.246	22%	0.216	C	C	.	.			trans	-87.8	125.7	170.9	-172.1	-12.9	0	0	0	110.5	T381 L402 I403 V404	T381-D400 HydrophobicContact CG2-CB 4.28Å; D400-L402 PolarHBondContact O-N 2.96Å; D400-L402 WeakPolarHBondContact OD1-CB 3.2Å; D400-L402 PolarHBondContact OD1-N 2.83Å; D400-I403 HydrophobicContact CB-CB 4.35Å; D400-I403 HydrophobicContact CB-CD1 3.95Å; D400-I403 HydrophobicContact CB-CG1 3.97Å; D400-I403 PolarHBondContact O-N 2.87Å; D400-V404 PolarHBondContact O-N 3.35Å
401	S	85.3	Confident	86.2	Confident	8 Å²	8	34.6 Å²	34.6	6%	0.056	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-23.7	177.2	69.6	0	0	0	0	114.1	K175 I403 V404	K175-S401 PolarHBondContact NZ-O 3.44Å; K175-S401 VanDerWaalsContact NZ-O 3.12Å; S401-I403 VanDerWaalsContact C-N 3.27Å; S401-V404 WeakPolarHBondContact CA-O 3.26Å
402	L	83	Confident	86.5	Confident	34 Å²	34	29.7 Å²	29.7	18%	0.178	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-37.8	171	-69.8	172.9	0	0	0	110.6	S117 K175 A377 D400	S117-L402 WeakPolarHBondContact CB-O 3.45Å; K175-L402 WeakPolarHBondContact CD-O 3.37Å; K175-L402 PolarHBondContact NZ-O 2.88Å; A377-L402 VanDerWaalsContact O-CD2 3.26Å; A377-L402 WeakPolarHBondContact O-CD2 3.4Å; D400-L402 PolarHBondContact O-N 2.96Å; D400-L402 WeakPolarHBondContact OD1-CB 3.2Å; D400-L402 PolarHBondContact OD1-N 2.83Å
403	I	83.6	Confident	86.5	Confident	69 Å²	69	24 Å²	24	35%	0.354	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-43.8	-176.9	-54.7	179	0	0	0	110.7	I84 H85 D400 S401	I84-I403 CarbonylContact C-O 3.56Å; I84-I403 WeakPolarHBondContact CA-O 3.18Å; H85-I403 HydrophobicContact CB-CG2 3.71Å; H85-I403 PolarHBondContact N-O 3.09Å; D400-I403 HydrophobicContact CB-CB 4.35Å; D400-I403 HydrophobicContact CB-CD1 3.95Å; D400-I403 HydrophobicContact CB-CG1 3.97Å; D400-I403 PolarHBondContact O-N 2.87Å; S401-I403 VanDerWaalsContact C-N 3.27Å
404	V	87	Confident	86.2	Confident	4 Å²	4	21.9 Å²	21.9	2%	0.024	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-131.1	120.4	-173.4	-179.6	0	0	0	0	110.7	I84 I399 D400 S401 L407 Y410	I84-V404 HydrophobicContact CG2-CG1 4.18Å; I84-V404 HydrophobicContact CG2-CG2 4.39Å; I399-V404 HydrophobicContact CG2-CB 3.82Å; I399-V404 HydrophobicContact CG2-CG1 4.28Å; I399-V404 HydrophobicContact CG2-CG2 4.37Å; D400-V404 PolarHBondContact O-N 3.35Å; S401-V404 WeakPolarHBondContact CA-O 3.26Å; V404-L407 HydrophobicContact CG1-CD2 4.39Å; V404-Y410 HydrophobicContact CG1-CG 4.46Å
405	S	88.3	Confident	85.4	Confident	5 Å²	5	26.4 Å²	26.4	4%	0.035	14%	0.135	C	C	.	.	S	Bend	trans	-113.1	-24.6	169.6	38.4	0	0	0	0	113	G83 K175 Y371 L372	G83-S405 WeakPolarHBondContact CA-OG 3.17Å; G83-S405 PolarHBondContact O-N 2.89Å; G83-S405 PolarHBondContact O-OG 2.94Å; K175-S405 VanDerWaalsContact CE-OG 3.23Å; K175-S405 WeakPolarHBondContact CE-OG 3.32Å; K175-S405 PolarHBondContact NZ-OG 2.82Å; Y371-S405 CarbonylContact C-O 3.59Å; Y371-S405 WeakPolarHBondContact CA-O 3.26Å; Y371-S405 WeakPolarHBondContact CB-O 2.89Å; L372-S405 PolarHBondContact N-O 3.09Å; L372-S405 WeakPolarHBondContact O-CB 3.44Å
406	H	88.6	Confident	84.5	Confident	13 Å²	13	26.3 Å²	26.3	6%	0.06	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-102.4	107.3	174.4	-69.3	-178.2	0	0	0	110	G33 N35 G83 N408 K409	G33-H406 PolarHBondContact O-CE1 3.23Å; N35-H406 PolarHBondContact ND2-NE2 3.2Å; N35-H406 VanDerWaalsContact ND2-NE2 3.11Å; G83-H406 PolarHBondContact O-N 2.88Å; H406-N408 VanDerWaalsContact C-N 3.32Å; H406-N408 PolarHBondContact O-N 3.11Å; H406-K409 HydrophobicContact CB-CD 4.16Å; H406-K409 HydrophobicContact CB-CG 4.11Å; H406-K409 PolarHBondContact O-N 3.08Å
407	L	90.4	Very high	83.6	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.005	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-71.9	-28.8	-174.6	-66.1	174.9	0	0	0	112.5	M368 G370 L372 I399 V404 K409 Y410 I445	M368-L407 HydrophobicContact CB-CB 3.86Å; M368-L407 HydrophobicContact CB-CD1 4.11Å; M368-L407 HydrophobicContact CB-CG 4.47Å; M368-L407 CarbonylContact O-C 3.46Å; M368-L407 WeakPolarHBondContact O-CB 3.15Å; M368-L407 HydrophobicContact SD-CD1 4.47Å; G370-L407 PolarHBondContact O-N 3.4Å; L372-L407 HydrophobicContact CD1-CD2 3.89Å; L372-L407 HydrophobicContact CD2-CD1 3.97Å; L372-L407 HydrophobicContact CD2-CD2 4.27Å; L372-L407 HydrophobicContact CD2-CG 4.37Å; L372-L407 HydrophobicContact CG-CD1 4.21Å; L372-L407 HydrophobicContact CG-CD2 3.81Å; L372-L407 HydrophobicContact CG-CG 4.06Å; I399-L407 HydrophobicContact CD1-CD2 4.06Å; V404-L407 HydrophobicContact CG1-CD2 4.39Å; L407-K409 PolarHBondContact O-N 3.35Å; L407-Y410 PolarHBondContact O-N 3.41Å; L407-I445 HydrophobicContact CD1-CD1 4.3Å; L407-I445 HydrophobicContact CD1-CG1 3.76Å
408	N	86	Confident	82.9	Confident	68 Å²	68	32.2 Å²	32.2	36%	0.364	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-69.2	-15.4	-178.8	61.5	-53.6	0	0	0	113.7	M368 H406 Y410 M470	M368-N408 VanDerWaalsContact O-CA 3.29Å; M368-N408 WeakPolarHBondContact O-CA 3.3Å; M368-N408 PolarHBondContact O-N 2.79Å; M368-N408 VanDerWaalsContact O-N 3.12Å; H406-N408 VanDerWaalsContact C-N 3.32Å; H406-N408 PolarHBondContact O-N 3.11Å; N408-Y410 VanDerWaalsContact C-N 3.26Å; N408-Y410 PolarHBondContact O-N 2.96Å; N408-M470 WeakPolarHBondContact O-CE 3.38Å
409	K	79.7	Confident	82.3	Confident	9 Å²	9	30 Å²	30	4%	0.039	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-89.6	10.2	179.5	-61.9	-169.3	179.2	-169.8	0	113	N32 F82 I84 H406 L407 M470	N32-K409 VanDerWaalsContact O-CE 3.31Å; N32-K409 WeakPolarHBondContact O-CE 3.4Å; N32-K409 PolarHBondContact O-NZ 2.83Å; F82-K409 WeakPolarHBondContact O-CD 3.23Å; F82-K409 PolarHBondContact O-NZ 3.25Å; I84-K409 HydrophobicContact CD1-CB 4.24Å; I84-K409 HydrophobicContact CG1-CD 4.41Å; I84-K409 HydrophobicContact CG2-CB 3.89Å; H406-K409 HydrophobicContact CB-CD 4.16Å; H406-K409 HydrophobicContact CB-CG 4.11Å; H406-K409 PolarHBondContact O-N 3.08Å; L407-K409 PolarHBondContact O-N 3.35Å; K409-M470 PolarHBondContact O-N 3.46Å
410	Y	79.5	Confident	81.9	Confident	3 Å²	3	30.3 Å²	30.3	1%	0.012	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	146.7	-157.9	174.4	-104.9	0	0	0	113.7	I399 V404 L407 N408 L412 N466 I467 I468	I399-Y410 HydrophobicContact CD1-CD1 4.14Å; I399-Y410 HydrophobicContact CD1-CE1 3.75Å; I399-Y410 HydrophobicContact CG1-CE1 4.07Å; V404-Y410 HydrophobicContact CG1-CG 4.46Å; L407-Y410 PolarHBondContact O-N 3.41Å; N408-Y410 VanDerWaalsContact C-N 3.26Å; N408-Y410 PolarHBondContact O-N 2.96Å; Y410-L412 HydrophobicContact CE1-CB 3.94Å; Y410-L412 HydrophobicContact CE1-CD1 4.39Å; Y410-L412 VanDerWaalsContact OH-CD1 3.31Å; Y410-L412 WeakPolarHBondContact OH-CD1 2.9Å; Y410-N466 PolarHBondContact OH-O 2.85Å; Y410-N466 VanDerWaalsContact OH-O 3.08Å; Y410-I467 HydrophobicContact CD2-CG2 3.8Å; Y410-I467 HydrophobicContact CE2-CB 3.46Å; Y410-I467 VanDerWaalsContact CE2-CB 3.46Å; Y410-I467 HydrophobicContact CE2-CG1 4.19Å; Y410-I467 HydrophobicContact CE2-CG2 2.99Å; Y410-I467 WeakPolarHBondContact OH-CA 3.13Å; Y410-I467 WeakPolarHBondContact OH-CB 3.38Å; Y410-I467 WeakPolarHBondContact OH-CD1 3.48Å; Y410-I467 WeakPolarHBondContact OH-CG1 3.37Å; Y410-I468 WeakPolarHBondContact CD2-O 3.18Å
411	Y	83.8	Confident	81.4	Confident	1 Å²	1	31.9 Å²	31.9	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	130.8	173.8	-56.4	-87.5	0	0	0	112	C299 H300 Q367 I468 M470	C299-Y411 HydrophobicContact CB-CD1 4.21Å; C299-Y411 HydrophobicContact CB-CD2 3.74Å; C299-Y411 HydrophobicContact CB-CE1 4.17Å; C299-Y411 HydrophobicContact CB-CE2 3.69Å; C299-Y411 HydrophobicContact CB-CG 3.99Å; H300-Y411 AromaticContact CD2-CE1 3.77Å; H300-Y411 AromaticContact CD2-CZ 3.82Å; H300-Y411 PolarHBondContact CD2-OH 3.33Å; H300-Y411 AromaticContact NE2-CE1 3.82Å; H300-Y411 AromaticContact NE2-CZ 3.64Å; H300-Y411 PolarHBondContact NE2-OH 2.75Å; Q367-Y411 HydrophobicContact CB-CD1 4.26Å; Q367-Y411 HydrophobicContact CB-CE1 4.48Å; Q367-Y411 HydrophobicContact CG-CD1 4.34Å; Q367-Y411 HydrophobicContact CG-CE1 4.21Å; Y411-I468 PolarHBondContact N-O 3.35Å; Y411-M470 HydrophobicContact CE1-CE 4.39Å; Y411-M470 HydrophobicContact CE2-CE 3.93Å; Y411-M470 HydrophobicContact CE2-CG 3.61Å; Y411-M470 WeakPolarHBondContact OH-CE 3.5Å
412	L	87.3	Confident	81.1	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	113.2	173.4	-173.8	73.4	0	0	0	110.5	S365 I366 I384 Y410	S365-L412 CarbonylContact C-O 3.42Å; S365-L412 VanDerWaalsContact CA-O 3.25Å; S365-L412 WeakPolarHBondContact CA-O 3.14Å; S365-L412 WeakPolarHBondContact CB-O 3.34Å; I366-L412 HydrophobicContact CB-CB 4.4Å; I366-L412 PolarHBondContact N-O 2.95Å; I366-L412 PolarHBondContact O-N 3.31Å; I384-L412 HydrophobicContact CB-CD2 3.68Å; I384-L412 HydrophobicContact CD1-CD2 3.71Å; I384-L412 HydrophobicContact CG1-CD2 3.75Å; I384-L412 HydrophobicContact CG2-CD2 3.84Å; Y410-L412 HydrophobicContact CE1-CB 3.94Å; Y410-L412 HydrophobicContact CE1-CD1 4.39Å; Y410-L412 VanDerWaalsContact OH-CD1 3.31Å; Y410-L412 WeakPolarHBondContact OH-CD1 2.9Å
413	F	85.7	Confident	81.2	Confident	5 Å²	5	35.9 Å²	35.9	2%	0.022	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	129.1	173.2	-65.2	-89.2	0	0	0	110.2	C299 Y364 L463 N466 I468	C299-F413 HydrophobicContact CB-CZ 4.27Å; Y364-F413 HydrophobicContact CE1-CD1 4.32Å; Y364-F413 AromaticContact CE1-CE1 3.85Å; Y364-F413 HydrophobicContact CE1-CE1 3.85Å; Y364-F413 HydrophobicContact CE2-CD1 4.16Å; Y364-F413 HydrophobicContact CE2-CE1 4.34Å; Y364-F413 AromaticContact CZ-CD1 3.98Å; Y364-F413 AromaticContact CZ-CE1 3.7Å; F413-L463 HydrophobicContact CB-CD1 4.05Å; F413-L463 HydrophobicContact CD1-CD1 3.75Å; F413-L463 HydrophobicContact CD2-CD1 4.41Å; F413-L463 HydrophobicContact CE1-CD1 4.3Å; F413-L463 HydrophobicContact CG-CD1 3.8Å; F413-N466 PolarHBondContact N-O 2.87Å; F413-I468 HydrophobicContact CD2-CD1 4.3Å; F413-I468 HydrophobicContact CD2-CG1 4.34Å; F413-I468 HydrophobicContact CE2-CB 4.07Å; F413-I468 HydrophobicContact CE2-CD1 3.52Å; F413-I468 HydrophobicContact CE2-CG1 3.77Å; F413-I468 HydrophobicContact CZ-CD1 4.03Å
414	C	81.7	Confident	81.2	Confident	4 Å²	4	36.7 Å²	36.7	3%	0.027	18%	0.179	C	C	.	.			trans	-81.6	124.1	174.3	-61.6	0	0	0	0	109.1	Y364 C396 N416	Y364-C414 PolarHBondContact O-N 2.77Å; C396-C414 HydrophobicContact CB-CB 4.02Å; C396-C414 WeakPolarHBondContact CB-SG 3.43Å; C396-C414 WeakPolarHBondContact SG-CA 3.28Å; C396-C414 WeakPolarHBondContact SG-CB 3.46Å; C396-C414 CovalentContact SG-SG 2.04Å; C396-C414 PolarHBondContact SG-SG 2.9Å; C414-N416 PolarHBondContact O-N 3.23Å
415	Q	70	Confident	81.4	Confident	133 Å²	133	37.7 Å²	37.7	62%	0.621	18%	0.183	S	C	*	.	S	Bend	trans	-66.1	-19.8	-180	-66	-176	-19.2	0	0	113.6	N466	Q415-N466 VanDerWaalsContact CG-OD1 3.26Å; Q415-N466 WeakPolarHBondContact CG-OD1 3.31Å; Q415-N466 VanDerWaalsContact NE2-CG 3.3Å; Q415-N466 PolarHBondContact NE2-ND2 2.83Å; Q415-N466 PolarHBondContact NE2-OD1 3.04Å
416	N	70	Confident	81.6	Confident	67 Å²	67	37.4 Å²	37.4	36%	0.358	18%	0.181	S	C	.	.	S	Bend	trans	-104.4	130.1	-171.7	-68.3	-45.9	0	0	0	111.8	C414 Y418	C414-N416 PolarHBondContact O-N 3.23Å; N416-Y418 VanDerWaalsContact C-N 3.27Å; N416-Y418 HydrophobicContact CB-CD2 3.49Å; N416-Y418 VanDerWaalsContact CB-CD2 3.49Å; N416-Y418 HydrophobicContact CB-CE2 3.3Å; N416-Y418 PolarHBondContact O-N 3.01Å
417	N	69.9	Low	81.8	Confident	73 Å²	73	39.8 Å²	39.8	39%	0.39	19%	0.19	S	C	.	.			trans	-70.6	78.7	170.5	-69.2	-20.4	0	0	0	110.7	F362 P419 F459	F362-N417 HydrophobicContact CD1-CB 3.99Å; F362-N417 HydrophobicContact CE1-CB 4.21Å; N417-P419 WeakPolarHBondContact O-CD 3.49Å; N417-F459 WeakPolarHBondContact OD1-CB 3.23Å; N417-F459 WeakPolarHBondContact OD1-CD1 2.85Å; N417-F459 WeakPolarHBondContact OD1-CD2 3.43Å; N417-F459 WeakPolarHBondContact OD1-CE1 3.41Å; N417-F459 VanDerWaalsContact OD1-CE2 3.28Å; N417-F459 WeakPolarHBondContact OD1-CE2 3.1Å; N417-F459 WeakPolarHBondContact OD1-CG 3.29Å; N417-F459 WeakPolarHBondContact OD1-CZ 3.45Å
418	Y	73.1	Confident	82	Confident	62 Å²	62	39.7 Å²	39.7	24%	0.243	19%	0.189	C	C	.	.			trans	-84.7	121.1	173.8	-87.2	-78	0	0	0	111.3	F362 L363 I394 N416 L420 L423	F362-Y418 WeakPolarHBondContact CA-O 3.4Å; L363-Y418 PolarHBondContact N-O 2.75Å; I394-Y418 HydrophobicContact CB-CE2 3.86Å; I394-Y418 HydrophobicContact CD1-CD1 4.41Å; I394-Y418 HydrophobicContact CD1-CE1 3.41Å; I394-Y418 VanDerWaalsContact CD1-CE1 3.41Å; I394-Y418 HydrophobicContact CD1-CE2 4.2Å; I394-Y418 WeakPolarHBondContact CD1-OH 3.24Å; I394-Y418 HydrophobicContact CG1-CE1 4.23Å; I394-Y418 HydrophobicContact CG1-CE2 4.25Å; I394-Y418 WeakPolarHBondContact CG1-OH 3.33Å; I394-Y418 HydrophobicContact CG2-CE2 3.59Å; I394-Y418 WeakPolarHBondContact CG2-OH 3.42Å; N416-Y418 VanDerWaalsContact C-N 3.27Å; N416-Y418 HydrophobicContact CB-CD2 3.49Å; N416-Y418 VanDerWaalsContact CB-CD2 3.49Å; N416-Y418 HydrophobicContact CB-CE2 3.3Å; N416-Y418 PolarHBondContact O-N 3.01Å; Y418-L420 PolarHBondContact O-N 2.85Å; Y418-L423 HydrophobicContact CD1-CD2 4.34Å; Y418-L423 HydrophobicContact CG-CD2 4.32Å
419	P	79.3	Confident	82.2	Confident	26 Å²	26	38.2 Å²	38.2	17%	0.169	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-60.4	125	170.4	-22.4	34.4	0	0	0	110.8	E361 F362 N417 D421 K422	E361-P419 CarbonylContact O-C 3.55Å; E361-P419 WeakPolarHBondContact O-CA 3.23Å; F362-P419 HydrophobicContact CE1-CG 4.33Å; N417-P419 WeakPolarHBondContact O-CD 3.49Å; P419-D421 WeakPolarHBondContact CB-OD1 3.48Å; P419-D421 PolarHBondContact O-N 2.79Å; P419-K422 HydrophobicContact CB-CD 4.45Å; P419-K422 HydrophobicContact CB-CG 4.42Å; P419-K422 HydrophobicContact CG-CD 4.42Å; P419-K422 WeakPolarHBondContact O-CB 3.02Å; P419-K422 PolarHBondContact O-N 2.79Å
420	L	80	Confident	82.7	Confident	5 Å²	5	39 Å²	39	3%	0.026	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-29.9	-176.9	-171.7	71.8	0	0	0	112.3	I343 L347 E361 Y418 K422 L423 I452	I343-L420 HydrophobicContact CD1-CD1 4.3Å; I343-L420 HydrophobicContact CG2-CD1 4.28Å; L347-L420 HydrophobicContact CD1-CD2 4.13Å; L347-L420 HydrophobicContact CD1-CG 4.46Å; E361-L420 HydrophobicContact CB-CB 3.99Å; E361-L420 HydrophobicContact CB-CD2 4.16Å; E361-L420 WeakPolarHBondContact O-CB 3.4Å; E361-L420 PolarHBondContact O-N 3.44Å; Y418-L420 PolarHBondContact O-N 2.85Å; L420-K422 PolarHBondContact O-N 3.18Å; L420-K422 VanDerWaalsContact O-N 3.16Å; L420-L423 HydrophobicContact CD1-CD1 4.39Å; L420-L423 PolarHBondContact O-N 2.91Å; L420-L423 VanDerWaalsContact O-N 3.08Å; L420-I452 HydrophobicContact CD1-CD1 4.07Å; L420-I452 HydrophobicContact CD1-CG1 4.04Å; L420-I452 HydrophobicContact CD2-CB 4.46Å; L420-I452 HydrophobicContact CD2-CD1 3.47Å; L420-I452 VanDerWaalsContact CD2-CD1 3.47Å; L420-I452 HydrophobicContact CD2-CG1 3.86Å; L420-I452 HydrophobicContact CD2-CG2 3.79Å; L420-I452 HydrophobicContact CG-CD1 4.43Å
421	D	77.2	Confident	82.7	Confident	80 Å²	80	40.6 Å²	40.6	43%	0.428	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.7	177.2	67.9	-57.6	0	0	0	113.1	K389 P419	K389-D421 WeakPolarHBondContact CE-O 3.12Å; K389-D421 PolarHBondContact NZ-O 3.37Å; P419-D421 WeakPolarHBondContact CB-OD1 3.48Å; P419-D421 PolarHBondContact O-N 2.79Å
422	K	79.5	Confident	82	Confident	113 Å²	113	41.4 Å²	41.4	49%	0.491	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-24.5	174.3	-61.9	-176.1	-179.9	-178.5	0	112.9	D388 K389 P419 L420	D388-K422 CarbonylContact C-O 3.42Å; D388-K422 WeakPolarHBondContact CA-O 3.46Å; D388-K422 WeakPolarHBondContact CB-O 3.28Å; K389-K422 PolarHBondContact N-O 2.85Å; P419-K422 HydrophobicContact CB-CD 4.45Å; P419-K422 HydrophobicContact CB-CG 4.42Å; P419-K422 HydrophobicContact CG-CD 4.42Å; P419-K422 WeakPolarHBondContact O-CB 3.02Å; P419-K422 PolarHBondContact O-N 2.79Å; L420-K422 PolarHBondContact O-N 3.18Å; L420-K422 VanDerWaalsContact O-N 3.16Å
423	L	84.5	Confident	80.8	Confident	13 Å²	13	45.3 Å²	45.3	7%	0.068	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	145.7	-176.6	-64.8	178.5	0	0	0	112.2	I343 L363 Y418 L420	I343-L423 HydrophobicContact CD1-CB 3.81Å; I343-L423 HydrophobicContact CD1-CD1 4.47Å; L363-L423 HydrophobicContact CB-CD1 3.69Å; L363-L423 HydrophobicContact CD2-CD1 3.93Å; L363-L423 HydrophobicContact CG-CD1 4.43Å; Y418-L423 HydrophobicContact CD1-CD2 4.34Å; Y418-L423 HydrophobicContact CG-CD2 4.32Å; L420-L423 HydrophobicContact CD1-CD1 4.39Å; L420-L423 PolarHBondContact O-N 2.91Å; L420-L423 VanDerWaalsContact O-N 3.08Å
424	K	84.9	Confident	79	Confident	86 Å²	86	46.5 Å²	46.5	37%	0.374	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	-40.5	179.3	-168.7	178.7	174.2	-165.1	0	112.4	I343 M387 K389	I343-K424 PolarHBondContact N-O 3.06Å; M387-K424 PolarHBondContact O-N 3.27Å; K389-K424 HydrophobicContact CG-CB 4.43Å
425	F	91	Very high	77.9	Confident	24 Å²	24	54.7 Å²	54.7	11%	0.105	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	157.2	-177.3	-49.1	-79.9	0	0	0	112.3	V310 L340 W341 K342 M387	V310-F425 HydrophobicContact CG2-CD1 4.09Å; V310-F425 HydrophobicContact CG2-CE1 3.93Å; L340-F425 HydrophobicContact CD1-CB 3.59Å; L340-F425 HydrophobicContact CD1-CD1 4.46Å; L340-F425 HydrophobicContact CD1-CD2 4.46Å; L340-F425 HydrophobicContact CD1-CG 3.98Å; L340-F425 HydrophobicContact CD2-CB 4.37Å; L340-F425 HydrophobicContact CD2-CD1 3.74Å; L340-F425 HydrophobicContact CD2-CD2 4.14Å; L340-F425 HydrophobicContact CD2-CE1 3.93Å; L340-F425 HydrophobicContact CD2-CE2 4.27Å; L340-F425 HydrophobicContact CD2-CG 3.85Å; L340-F425 HydrophobicContact CD2-CZ 4.17Å; L340-F425 HydrophobicContact CG-CB 3.89Å; L340-F425 HydrophobicContact CG-CD1 3.88Å; L340-F425 HydrophobicContact CG-CG 3.9Å; W341-F425 CarbonylContact O-C 3.57Å; W341-F425 WeakPolarHBondContact O-CA 3.1Å; W341-F425 WeakPolarHBondContact O-CB 3.27Å; K342-F425 HydrophobicContact CB-CD1 3.99Å; K342-F425 HydrophobicContact CB-CE1 4.13Å; K342-F425 HydrophobicContact CG-CD1 4.25Å; K342-F425 HydrophobicContact CG-CE1 4.13Å; M387-F425 HydrophobicContact CB-CB 3.99Å; M387-F425 HydrophobicContact CB-CD2 4.43Å; M387-F425 WeakPolarHBondContact CB-O 3.26Å; M387-F425 HydrophobicContact CG-CB 4.26Å; M387-F425 PolarHBondContact N-O 3.07Å; M387-F425 PolarHBondContact O-N 3.23Å
426	I	92.6	Very high	77.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	127.2	157.8	-59.1	-55.3	0	0	0	107	L307 W341 L363 I366 I384 Y385 M448 V450	L307-I426 HydrophobicContact CD1-CB 4.1Å; L307-I426 HydrophobicContact CD1-CG1 3.73Å; W341-I426 HydrophobicContact CB-CB 4.41Å; W341-I426 PolarHBondContact N-O 2.77Å; W341-I426 PolarHBondContact O-N 2.66Å; L363-I426 HydrophobicContact CD2-CD1 3.97Å; I366-I426 HydrophobicContact CD1-CD1 3.95Å; I366-I426 HydrophobicContact CD1-CG1 4.33Å; I366-I426 HydrophobicContact CD1-CG2 4.1Å; I384-I426 HydrophobicContact CG2-CG2 3.85Å; Y385-I426 CarbonylContact O-C 3.55Å; Y385-I426 WeakPolarHBondContact O-CA 3.43Å; I426-M448 HydrophobicContact CG2-CE 4.05Å; I426-M448 HydrophobicContact CG2-SD 4.32Å; I426-V450 HydrophobicContact CG1-CG1 4.34Å
427	R	92.3	Very high	77.1	Confident	62 Å²	62	61.7 Å²	61.7	23%	0.234	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	125.5	175.4	176.2	-178.3	178.6	-172	-3.8	108.9	F338 L340 Y385 M387 E429	F338-R427 HydrophobicContact CB-CG 4.47Å; L340-R427 HydrophobicContact CD1-CB 3.88Å; L340-R427 HydrophobicContact CD1-CG 4.43Å; Y385-R427 PolarHBondContact N-O 2.83Å; Y385-R427 PolarHBondContact O-N 3.19Å; M387-R427 HydrophobicContact CG-CB 3.78Å; M387-R427 HydrophobicContact SD-CB 3.99Å; R427-E429 IonicContact CZ-OE2 3.74Å; R427-E429 IonicContact NE-OE2 3.75Å; R427-E429 PolarHBondContact NE-OE2 3.11Å; R427-E429 IonicContact NH1-OE2 2.97Å; R427-E429 IonicContact NH2-OE1 2.7Å; R427-E429 IonicContact NH2-OE2 3.92Å; R427-E429 PolarHBondContact NH2-OE2 2.83Å
428	L	93.5	Very high	77.3	Confident	0 Å²	0	59 Å²	59	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	130.9	167.7	-60.3	-179.2	0	0	0	108	F338 S339 M368 L382 K383 I384 W430 I445 M448	F338-L428 CarbonylContact C-O 3.5Å; F338-L428 WeakPolarHBondContact CA-O 3.5Å; F338-L428 WeakPolarHBondContact CB-O 3.45Å; S339-L428 PolarHBondContact N-O 2.78Å; S339-L428 PolarHBondContact O-N 3.42Å; M368-L428 HydrophobicContact SD-CD2 4.37Å; L382-L428 HydrophobicContact CD1-CB 4.13Å; K383-L428 WeakPolarHBondContact O-CA 3.12Å; I384-L428 HydrophobicContact CB-CD2 4.19Å; I384-L428 HydrophobicContact CG1-CD2 3.54Å; I384-L428 HydrophobicContact CG2-CD2 4.02Å; L428-W430 HydrophobicContact CB-CZ3 4.28Å; L428-I445 HydrophobicContact CD1-CD1 3.08Å; L428-M448 HydrophobicContact CD1-CE 3.99Å; L428-M448 HydrophobicContact CD2-CE 3.73Å; L428-M448 HydrophobicContact CG-CE 4.14Å
429	E	91.1	Very high	77.5	Confident	36 Å²	36	56.2 Å²	56.2	17%	0.168	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	132.3	178.9	-178.8	168.4	179.4	0	0	109.5	K383 Y385 R427	K383-E429 WeakPolarHBondContact CB-O 3.4Å; K383-E429 PolarHBondContact N-O 3.43Å; K383-E429 PolarHBondContact O-N 2.84Å; Y385-E429 HydrophobicContact CD2-CB 4.35Å; Y385-E429 HydrophobicContact CE2-CB 4.09Å; R427-E429 IonicContact CZ-OE2 3.74Å; R427-E429 IonicContact NE-OE2 3.75Å; R427-E429 PolarHBondContact NE-OE2 3.11Å; R427-E429 IonicContact NH1-OE2 2.97Å; R427-E429 IonicContact NH2-OE1 2.7Å; R427-E429 IonicContact NH2-OE2 3.92Å; R427-E429 PolarHBondContact NH2-OE2 2.83Å
430	W	89.3	Confident	77.7	Confident	26 Å²	26	60.7 Å²	60.7	10%	0.098	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	148.2	173.9	65.1	101.7	0	0	0	109.5	K337 L382 L428 L441 V443	K337-W430 HydrophobicContact CB-CD2 4Å; K337-W430 VanDerWaalsContact CB-CE2 3.41Å; K337-W430 HydrophobicContact CB-CH2 4.02Å; K337-W430 HydrophobicContact CB-CZ2 3.43Å; K337-W430 VanDerWaalsContact CB-CZ2 3.43Å; K337-W430 HydrophobicContact CD-CZ2 4.12Å; K337-W430 HydrophobicContact CG-CZ2 4.39Å; K337-W430 PolarHBondContact N-O 3.25Å; K337-W430 PolarHBondContact O-N 3.4Å; L382-W430 HydrophobicContact CD1-CB 4.19Å; L382-W430 HydrophobicContact CD1-CD2 4.36Å; L382-W430 HydrophobicContact CD1-CE3 3.75Å; L428-W430 HydrophobicContact CB-CZ3 4.28Å; W430-L441 HydrophobicContact CB-CD2 3.89Å; W430-L441 HydrophobicContact CG-CD2 4.14Å; W430-L441 PolarHBondContact NE1-O 2.88Å; W430-L441 VanDerWaalsContact NE1-O 3.11Å; W430-V443 HydrophobicContact CD2-CB 4.42Å; W430-V443 HydrophobicContact CD2-CG2 3.6Å; W430-V443 HydrophobicContact CE3-CG2 3.97Å; W430-V443 HydrophobicContact CG-CG2 3.97Å; W430-V443 HydrophobicContact CH2-CB 4.13Å; W430-V443 HydrophobicContact CH2-CG2 4.34Å; W430-V443 HydrophobicContact CZ2-CB 3.97Å; W430-V443 HydrophobicContact CZ2-CG2 3.97Å; W430-V443 HydrophobicContact CZ3-CB 4.39Å; W430-V443 HydrophobicContact CZ3-CG2 4.34Å
431	N	80.8	Confident	78	Confident	37 Å²	37	60.6 Å²	60.6	20%	0.198	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	128.3	-177.7	-167.2	-8.7	0	0	0	109.8	N336 D380 M433	N336-N431 PolarHBondContact OD1-OD1 3.35Å; N336-N431 VanDerWaalsContact OD1-OD1 3.1Å; D380-N431 HydrophobicContact CB-CB 4.38Å; D380-N431 WeakPolarHBondContact CB-O 3.31Å; D380-N431 WeakPolarHBondContact OD2-CB 3.22Å; N431-M433 VanDerWaalsContact C-N 3.32Å; N431-M433 WeakPolarHBondContact ND2-CG 3.48Å; N431-M433 WeakPolarHBondContact OD1-CB 3.05Å; N431-M433 WeakPolarHBondContact OD1-CG 3.47Å; N431-M433 PolarHBondContact OD1-N 2.94Å
432	N	68.5	Low	78.5	Confident	18 Å²	18	62.7 Å²	62.7	10%	0.096	28%	0.281	C	S	.	.			trans	-100.6	44.6	170.5	-84.7	-20.9	0	0	0	110.4	K337 G434 Y440 L441	K337-N432 WeakPolarHBondContact CD-ND2 3.24Å; N432-G434 PolarHBondContact O-N 3Å; N432-G434 VanDerWaalsContact O-N 3.15Å; N432-Y440 HydrophobicContact CB-CD1 3.9Å; N432-Y440 HydrophobicContact CB-CE1 4.35Å; N432-L441 PolarHBondContact OD1-N 3.49Å; N432-L441 VanDerWaalsContact OD1-N 3.07Å; N432-L441 PolarHBondContact OD1-O 3Å
433	M	61.1	Low	79	Confident	82 Å²	82	58.8 Å²	58.8	40%	0.404	27%	0.267	S	S	.	.			trans	-72.7	109.5	168.3	-79.8	-112.9	-100.1	0	0	108	N431 R435	N431-M433 VanDerWaalsContact C-N 3.32Å; N431-M433 WeakPolarHBondContact ND2-CG 3.48Å; N431-M433 WeakPolarHBondContact OD1-CB 3.05Å; N431-M433 WeakPolarHBondContact OD1-CG 3.47Å; N431-M433 PolarHBondContact OD1-N 2.94Å; M433-R435 PolarHBondContact O-N 3.21Å
434	G	49.5	Very low	79.2	Confident	29 Å²	29	61.2 Å²	61.2	30%	0.299	28%	0.28	S	S	.	.			trans	-63.7	67.3	157.8	0	0	0	0	0	110.2	N432 E436	N432-G434 PolarHBondContact O-N 3Å; N432-G434 VanDerWaalsContact O-N 3.15Å; G434-E436 PolarHBondContact O-N 3.45Å
435	R	57.9	Low	79.6	Confident	177 Å²	177	58 Å²	58	67%	0.668	27%	0.267	S	S	*	.			trans	-50	139.9	152.2	-65	-175.2	-179.3	-178.8	2.5	105.1	M433 K437 A438	M433-R435 PolarHBondContact O-N 3.21Å; R435-K437 PolarHBondContact O-N 3.39Å; R435-A438 HydrophobicContact CB-CB 3.94Å; R435-A438 PolarHBondContact O-N 3.07Å
436	E	60	Low	79.6	Confident	183 Å²	183	61.4 Å²	61.4	86%	0.855	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.7	-31	-170.6	-66.6	-178.5	161.2	0	0	113.6	K376 G434	K376-E436 PolarHBondContact NZ-O 2.98Å; G434-E436 PolarHBondContact O-N 3.45Å
437	K	63	Low	79.6	Confident	164 Å²	164	65.2 Å²	65.2	71%	0.713	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-13	178.9	-57.9	-173.6	180	-176.2	0	116.5	R435	R435-K437 PolarHBondContact O-N 3.39Å
438	A	73.8	Confident	79.7	Confident	16 Å²	16	62.3 Å²	62.3	13%	0.132	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-89.7	141	179.7	0	0	0	0	0	111.4	V378 R435	V378-A438 CarbonylContact O-C 3.6Å; V378-A438 VanDerWaalsContact O-CA 3.31Å; V378-A438 WeakPolarHBondContact O-CA 3.44Å; R435-A438 HydrophobicContact CB-CB 3.94Å; R435-A438 PolarHBondContact O-N 3.07Å
439	G	78.2	Confident	79.6	Confident	3 Å²	3	63 Å²	63	3%	0.031	30%	0.299	C	S	.	.			trans	-88.1	176.7	173.1	0	0	0	0	0	112.5	S375 V378 C379	S375-G439 WeakPolarHBondContact OG-CA 3.46Å; V378-G439 PolarHBondContact O-N 3.04Å; C379-G439 PolarHBondContact SG-O 2.7Å; C379-G439 VanDerWaalsContact SG-O 3.41Å
440	Y	82.7	Confident	79.6	Confident	121 Å²	121	61.3 Å²	61.3	48%	0.475	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-80.5	133.2	172.2	-64	-79.1	0	0	0	110.5	S375 C379 N432	S375-Y440 PolarHBondContact N-O 3.3Å; S375-Y440 PolarHBondContact OG-N 3.21Å; C379-Y440 VanDerWaalsContact SG-C 3.52Å; C379-Y440 PolarHBondContact SG-O 2.98Å; N432-Y440 HydrophobicContact CB-CD1 3.9Å; N432-Y440 HydrophobicContact CB-CE1 4.35Å
441	L	87.1	Confident	79.7	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	116.3	170.4	-174.3	68.4	0	0	0	109.3	L372 C379 L382 W430 N432 V443	L372-L441 HydrophobicContact CB-CD1 4.31Å; C379-L441 HydrophobicContact CB-CB 4.18Å; C379-L441 HydrophobicContact CB-CD1 4.27Å; L382-L441 HydrophobicContact CB-CD2 4.28Å; W430-L441 HydrophobicContact CB-CD2 3.89Å; W430-L441 HydrophobicContact CG-CD2 4.14Å; W430-L441 PolarHBondContact NE1-O 2.88Å; W430-L441 VanDerWaalsContact NE1-O 3.11Å; N432-L441 PolarHBondContact OD1-N 3.49Å; N432-L441 VanDerWaalsContact OD1-N 3.07Å; N432-L441 PolarHBondContact OD1-O 3Å; L441-V443 HydrophobicContact CD2-CG2 3.99Å; L441-V443 HydrophobicContact CG-CG2 4.01Å
442	Y	86.6	Confident	80	Confident	124 Å²	124	58.6 Å²	58.6	49%	0.486	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	120.3	171.1	-63.2	-89.3	0	0	0	108.9	L372 Y373	L372-Y442 WeakPolarHBondContact CA-O 3.4Å; Y373-Y442 AromaticContact CD1-CD2 3.36Å; Y373-Y442 HydrophobicContact CD1-CD2 3.36Å; Y373-Y442 AromaticContact CD1-CE2 3.99Å; Y373-Y442 HydrophobicContact CD1-CE2 3.99Å; Y373-Y442 AromaticContact CD1-CG 3.97Å; Y373-Y442 HydrophobicContact CD1-CG 3.97Å; Y373-Y442 AromaticContact CE1-CD2 3.82Å; Y373-Y442 HydrophobicContact CE1-CD2 3.82Å; Y373-Y442 AromaticContact CE1-CE2 3.97Å; Y373-Y442 HydrophobicContact CE1-CE2 3.97Å; Y373-Y442 HydrophobicContact CG-CD2 4.46Å; Y373-Y442 PolarHBondContact N-O 3.12Å; Y373-Y442 PolarHBondContact O-N 2.85Å
443	V	89.9	Confident	80.9	Confident	31 Å²	31	58 Å²	58	19%	0.188	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	109.3	-179.7	-177.2	0	0	0	0	107.8	L372 L382 W430 L441 I445	L372-V443 HydrophobicContact CD2-CB 4.22Å; L372-V443 HydrophobicContact CD2-CG1 3.92Å; L372-V443 HydrophobicContact CD2-CG2 3.96Å; L382-V443 HydrophobicContact CD1-CG2 4.25Å; L382-V443 HydrophobicContact CD2-CG1 4.36Å; W430-V443 HydrophobicContact CD2-CB 4.42Å; W430-V443 HydrophobicContact CD2-CG2 3.6Å; W430-V443 HydrophobicContact CE3-CG2 3.97Å; W430-V443 HydrophobicContact CG-CG2 3.97Å; W430-V443 HydrophobicContact CH2-CB 4.13Å; W430-V443 HydrophobicContact CH2-CG2 4.34Å; W430-V443 HydrophobicContact CZ2-CB 3.97Å; W430-V443 HydrophobicContact CZ2-CG2 3.97Å; W430-V443 HydrophobicContact CZ3-CB 4.39Å; W430-V443 HydrophobicContact CZ3-CG2 4.34Å; L441-V443 HydrophobicContact CD2-CG2 3.99Å; L441-V443 HydrophobicContact CG-CG2 4.01Å; V443-I445 HydrophobicContact CG1-CD1 3.75Å; V443-I445 HydrophobicContact CG1-CG1 3.96Å
444	N	90	Very high	81.8	Confident	64 Å²	64	59.5 Å²	59.5	34%	0.342	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	108	173.4	-173.7	0.9	0	0	0	109.4	G370 Y371	G370-N444 CarbonylContact C-O 3.55Å; G370-N444 VanDerWaalsContact CA-O 3.23Å; G370-N444 WeakPolarHBondContact CA-O 3.44Å; Y371-N444 HydrophobicContact CD1-CB 4.07Å; Y371-N444 HydrophobicContact CD2-CB 4.23Å; Y371-N444 HydrophobicContact CE1-CB 3.61Å; Y371-N444 WeakPolarHBondContact CE1-ND2 3.44Å; Y371-N444 HydrophobicContact CE2-CB 3.79Å; Y371-N444 HydrophobicContact CG-CB 4.36Å; Y371-N444 VanDerWaalsContact CZ-CB 3.45Å; Y371-N444 PolarHBondContact N-O 3.22Å; Y371-N444 PolarHBondContact O-N 2.98Å; Y371-N444 PolarHBondContact OH-ND2 2.9Å
445	I	92.1	Very high	83.3	Confident	20 Å²	20	59.4 Å²	59.4	10%	0.103	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	120.8	179.4	-65.3	168.6	0	0	0	107.9	W341 M368 D369 L407 L428 V443 Q447 M448	W341-I445 HydrophobicContact CH2-CB 4.42Å; W341-I445 HydrophobicContact CH2-CG2 3.76Å; W341-I445 HydrophobicContact CZ2-CB 3.93Å; W341-I445 HydrophobicContact CZ2-CG2 3.58Å; M368-I445 HydrophobicContact SD-CD1 4.14Å; D369-I445 CarbonylContact O-C 3.6Å; D369-I445 WeakPolarHBondContact O-CA 3.35Å; L407-I445 HydrophobicContact CD1-CD1 4.3Å; L407-I445 HydrophobicContact CD1-CG1 3.76Å; L428-I445 HydrophobicContact CD1-CD1 3.08Å; V443-I445 HydrophobicContact CG1-CD1 3.75Å; V443-I445 HydrophobicContact CG1-CG1 3.96Å; I445-Q447 WeakPolarHBondContact CG2-O 3.27Å; I445-M448 HydrophobicContact CG2-CB 4.34Å
446	T	91.3	Very high	84.1	Confident	94 Å²	94	53.8 Å²	53.8	58%	0.577	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	-41.9	-179.7	54.6	0	0	0	0	111.2	D369	D369-T446 WeakPolarHBondContact CB-OG1 3.18Å; D369-T446 PolarHBondContact O-N 2.79Å; D369-T446 PolarHBondContact O-OG1 2.96Å
447	Q	92.5	Very high	85	Confident	81 Å²	81	48.1 Å²	48.1	38%	0.379	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	152.3	178.3	-62.5	-174.9	-32.6	0	0	110.4	D369 I445 F449	D369-Q447 HydrophobicContact CB-CB 4.18Å; D369-Q447 PolarHBondContact N-O 2.61Å; D369-Q447 PolarHBondContact OD2-OE1 2.93Å; I445-Q447 WeakPolarHBondContact CG2-O 3.27Å; Q447-F449 HydrophobicContact CB-CE2 3.55Å; Q447-F449 HydrophobicContact CB-CZ 3.82Å; Q447-F449 HydrophobicContact CG-CZ 4.47Å
448	M	93.9	Very high	85.6	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	140.2	177.6	-165.8	-176.1	-139.6	0	0	109.6	L307 W341 I366 Q367 M368 I426 L428 I445	L307-M448 HydrophobicContact CB-CB 4.22Å; L307-M448 HydrophobicContact CD1-CB 4.4Å; L307-M448 HydrophobicContact CD1-CG 3.84Å; L307-M448 HydrophobicContact CD1-SD 3.61Å; L307-M448 PolarHBondContact N-O 3.2Å; W341-M448 HydrophobicContact CB-SD 4Å; W341-M448 HydrophobicContact CD2-CB 4.19Å; W341-M448 HydrophobicContact CD2-SD 3.9Å; W341-M448 HydrophobicContact CE3-CB 3.82Å; W341-M448 HydrophobicContact CE3-SD 4.41Å; W341-M448 HydrophobicContact CG-SD 3.68Å; W341-M448 HydrophobicContact CH2-CB 4.45Å; W341-M448 HydrophobicContact CZ3-CB 3.96Å; I366-M448 HydrophobicContact CG2-CE 3.61Å; I366-M448 HydrophobicContact CG2-CG 4.29Å; I366-M448 HydrophobicContact CG2-SD 4.46Å; Q367-M448 WeakPolarHBondContact O-CA 3.3Å; M368-M448 HydrophobicContact CE-CE 4.5Å; M368-M448 HydrophobicContact CG-CE 3.36Å; M368-M448 HydrophobicContact CG-CG 3.82Å; M368-M448 HydrophobicContact CG-SD 4.39Å; M368-M448 HydrophobicContact SD-CE 3.41Å; M368-M448 WeakPolarHBondContact SD-CE 3.48Å; I426-M448 HydrophobicContact CG2-CE 4.05Å; I426-M448 HydrophobicContact CG2-SD 4.32Å; L428-M448 HydrophobicContact CD1-CE 3.99Å; L428-M448 HydrophobicContact CD2-CE 3.73Å; L428-M448 HydrophobicContact CG-CE 4.14Å; I445-M448 HydrophobicContact CG2-CB 4.34Å
449	F	92.8	Very high	85.4	Confident	15 Å²	15	41.4 Å²	41.4	7%	0.066	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	151.4	-176.6	-52.5	-93.4	0	0	0	110.3	K240 L304 E305 E306 I366 Q367 Q447	K240-F449 HydrophobicContact CD-CE2 4.34Å; K240-F449 HydrophobicContact CD-CZ 4.44Å; L304-F449 HydrophobicContact CD1-CB 3.65Å; L304-F449 HydrophobicContact CD1-CD1 4.16Å; L304-F449 HydrophobicContact CD1-CG 4.12Å; L304-F449 HydrophobicContact CD2-CD1 4.41Å; L304-F449 HydrophobicContact CG-CD1 4.24Å; E305-F449 CarbonylContact O-C 3.49Å; E305-F449 VanDerWaalsContact O-CA 3.26Å; E305-F449 WeakPolarHBondContact O-CA 3.43Å; E306-F449 HydrophobicContact CB-CD1 3.97Å; E306-F449 HydrophobicContact CB-CE1 3.92Å; E306-F449 HydrophobicContact CG-CD1 4.21Å; E306-F449 HydrophobicContact CG-CE1 3.83Å; E306-F449 HydrophobicContact CG-CZ 4.46Å; I366-F449 WeakPolarHBondContact CA-O 3.18Å; Q367-F449 HydrophobicContact CB-CB 4.38Å; Q367-F449 PolarHBondContact N-O 2.66Å; Q367-F449 PolarHBondContact O-N 2.76Å; Q447-F449 HydrophobicContact CB-CE2 3.55Å; Q447-F449 HydrophobicContact CB-CZ 3.82Å; Q447-F449 HydrophobicContact CG-CZ 4.47Å
450	V	91.6	Very high	84.8	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	146.8	169	-66.1	0	0	0	0	109.8	E305 L307 L363 S365 I366 I426 I452	E305-V450 HydrophobicContact CB-CG2 3.97Å; E305-V450 PolarHBondContact N-O 3.2Å; E305-V450 PolarHBondContact O-N 3.14Å; L307-V450 HydrophobicContact CD1-CG1 3.63Å; L307-V450 HydrophobicContact CD2-CG1 3.9Å; L307-V450 HydrophobicContact CD2-CG2 3.93Å; L307-V450 HydrophobicContact CG-CG1 3.91Å; L307-V450 HydrophobicContact CG-CG2 4.47Å; L363-V450 HydrophobicContact CD1-CB 3.73Å; L363-V450 HydrophobicContact CD1-CG1 3.79Å; S365-V450 WeakPolarHBondContact O-CA 3.36Å; I366-V450 HydrophobicContact CG1-CG1 4.33Å; I426-V450 HydrophobicContact CG1-CG1 4.34Å; V450-I452 HydrophobicContact CG2-CD1 4.25Å; V450-I452 HydrophobicContact CG2-CG1 4.4Å
451	R	90	Very high	83.7	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	130.4	167.5	-64.1	-165.9	179.9	-89.2	-1.8	110.2	K240 C299 H300 L301 R303 L304 Y364 S365	K240-R451 PolarHBondContact O-NH1 3.05Å; K240-R451 PolarHBondContact O-NH2 2.94Å; C299-R451 WeakPolarHBondContact O-CD 3.4Å; C299-R451 PolarHBondContact O-NE 2.94Å; H300-R451 PolarHBondContact CD2-NH2 3.42Å; H300-R451 PolarHBondContact NE2-NH2 2.83Å; H300-R451 PolarHBondContact O-NH1 2.9Å; L301-R451 WeakPolarHBondContact O-CD 3.41Å; R303-R451 WeakPolarHBondContact O-CA 3.11Å; L304-R451 HydrophobicContact CD1-CG 4.28Å; Y364-R451 WeakPolarHBondContact CB-O 3.27Å; Y364-R451 HydrophobicContact CD1-CB 4.37Å; Y364-R451 PolarHBondContact N-O 2.78Å; S365-R451 PolarHBondContact O-N 2.76Å; S365-R451 WeakPolarHBondContact OG-CB 3.41Å
452	I	88.2	Confident	82.2	Confident	4 Å²	4	49.1 Å²	49.1	2%	0.021	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.4	-177.1	-65.6	155.6	0	0	0	108.6	G302 R303 E305 E361 F362 L420 V450	G302-I452 CarbonylContact C-O 3.56Å; G302-I452 WeakPolarHBondContact CA-O 3.05Å; R303-I452 PolarHBondContact N-O 3.43Å; R303-I452 PolarHBondContact O-N 2.86Å; E305-I452 HydrophobicContact CB-CD1 4.28Å; E305-I452 HydrophobicContact CG-CD1 3.87Å; E305-I452 VanDerWaalsContact OE2-CD1 3.29Å; E305-I452 WeakPolarHBondContact OE2-CD1 3.25Å; E361-I452 HydrophobicContact CB-CG2 3.7Å; E361-I452 HydrophobicContact CG-CG2 4.13Å; F362-I452 WeakPolarHBondContact O-CA 3.32Å; L420-I452 HydrophobicContact CD1-CD1 4.07Å; L420-I452 HydrophobicContact CD1-CG1 4.04Å; L420-I452 HydrophobicContact CD2-CB 4.46Å; L420-I452 HydrophobicContact CD2-CD1 3.47Å; L420-I452 VanDerWaalsContact CD2-CD1 3.47Å; L420-I452 HydrophobicContact CD2-CG1 3.86Å; L420-I452 HydrophobicContact CD2-CG2 3.79Å; L420-I452 HydrophobicContact CG-CD1 4.43Å; V450-I452 HydrophobicContact CG2-CD1 4.25Å; V450-I452 HydrophobicContact CG2-CG1 4.4Å
453	T	85.8	Confident	80.6	Confident	6 Å²	6	45.1 Å²	45.1	4%	0.037	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	151.3	178.7	-168.8	0	0	0	0	112.2	F362 Y364 N455 L458 F459	F362-T453 PolarHBondContact N-O 3.24Å; F362-T453 PolarHBondContact O-N 2.65Å; Y364-T453 HydrophobicContact CD2-CG2 4.34Å; Y364-T453 HydrophobicContact CG-CG2 4.18Å; T453-N455 PolarHBondContact OG1-N 3.45Å; T453-N455 VanDerWaalsContact OG1-N 3.09Å; T453-L458 HydrophobicContact CG2-CD1 4.23Å; T453-L458 WeakPolarHBondContact OG1-CD1 3.13Å; T453-F459 HydrophobicContact CG2-CE2 3.72Å; T453-F459 HydrophobicContact CG2-CZ 4.25Å
454	K	81.4	Confident	78.6	Confident	113 Å²	113	50.2 Å²	50.2	49%	0.491	27%	0.266	S	S	.	.	S	Bend	trans	-97	-6.4	167.8	-66	179	-179.5	178.8	0	112.1	E361 T456	E361-K454 HydrophobicContact CG-CD 4.45Å; E361-K454 HydrophobicContact CG-CG 3.86Å; E361-K454 WeakPolarHBondContact OE1-CE 3.5Å; E361-K454 IonicContact OE1-NZ 2.94Å; K454-T456 PolarHBondContact O-N 3.17Å
455	N	80.2	Confident	77	Confident	28 Å²	28	48.5 Å²	48.5	15%	0.15	26%	0.259	C	S	.	.			trans	-96.7	95	-172.9	-63.9	-26.9	0	0	0	110.2	T453 K457 L458	T453-N455 PolarHBondContact OG1-N 3.45Å; T453-N455 VanDerWaalsContact OG1-N 3.09Å; N455-K457 PolarHBondContact O-N 2.81Å; N455-L458 HydrophobicContact CB-CD1 3.92Å; N455-L458 HydrophobicContact CB-CG 3.93Å; N455-L458 WeakPolarHBondContact O-CB 3.33Å; N455-L458 PolarHBondContact O-N 2.89Å; N455-L458 VanDerWaalsContact O-N 3.12Å
456	T	75.9	Confident	75.2	Confident	59 Å²	59	49.6 Å²	49.6	36%	0.362	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-60.6	-29.2	178.6	51.7	0	0	0	0	112.8	F362 K454 L458 F459	F362-T456 HydrophobicContact CD2-CG2 3.94Å; F362-T456 HydrophobicContact CE2-CG2 3.28Å; F362-T456 HydrophobicContact CZ-CG2 3.71Å; K454-T456 PolarHBondContact O-N 3.17Å; T456-L458 PolarHBondContact O-N 2.82Å; T456-F459 PolarHBondContact O-N 2.9Å; T456-F459 VanDerWaalsContact O-N 3.16Å
457	K	77.7	Confident	73.3	Confident	64 Å²	64	47.6 Å²	47.6	28%	0.278	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-61.4	-21.5	176.1	-67.4	-174.3	-174.5	171.5	0	113.9	I212 W213 E266 N455 F459 N460	I212-K457 HydrophobicContact CG2-CB 4.49Å; I212-K457 HydrophobicContact CG2-CD 3.84Å; I212-K457 PolarHBondContact O-NZ 3.35Å; W213-K457 HydrophobicContact CZ2-CB 4.26Å; E266-K457 HydrophobicContact CG-CD 4.15Å; E266-K457 VanDerWaalsContact OE2-CE 3.23Å; E266-K457 WeakPolarHBondContact OE2-CE 3.32Å; E266-K457 IonicContact OE2-NZ 2.81Å; E266-K457 PolarHBondContact OE2-NZ 3.03Å; N455-K457 PolarHBondContact O-N 2.81Å; K457-F459 PolarHBondContact O-N 2.92Å; K457-N460 PolarHBondContact O-N 2.84Å; K457-N460 VanDerWaalsContact O-N 3.09Å
458	L	75.5	Confident	71.5	Confident	3 Å²	3	43.7 Å²	43.7	2%	0.016	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-64.7	-24	176.2	-69.7	175.8	0	0	0	113.2	W213 L264 L301 Y364 T453 N455 T456	W213-L458 HydrophobicContact CH2-CD2 3.7Å; W213-L458 HydrophobicContact CZ2-CD2 3.57Å; W213-L458 HydrophobicContact CZ2-CG 4.26Å; L264-L458 HydrophobicContact CD1-CD2 3.94Å; L301-L458 HydrophobicContact CB-CD1 4.17Å; L301-L458 HydrophobicContact CD1-CD1 4.26Å; L301-L458 HydrophobicContact CD1-CD2 3.54Å; Y364-L458 HydrophobicContact CD2-CB 4.4Å; Y364-L458 HydrophobicContact CE2-CB 3.84Å; T453-L458 HydrophobicContact CG2-CD1 4.23Å; T453-L458 WeakPolarHBondContact OG1-CD1 3.13Å; N455-L458 HydrophobicContact CB-CD1 3.92Å; N455-L458 HydrophobicContact CB-CG 3.93Å; N455-L458 WeakPolarHBondContact O-CB 3.33Å; N455-L458 PolarHBondContact O-N 2.89Å; N455-L458 VanDerWaalsContact O-N 3.12Å; T456-L458 PolarHBondContact O-N 2.82Å
459	F	70.1	Confident	69.7	Low	36 Å²	36	45 Å²	45	16%	0.158	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-82.3	-15.3	175.9	-63.3	-93.8	0	0	0	113.1	F362 L363 Y364 N417 T453 T456 K457 V461	F362-F459 HydrophobicContact CB-CE2 3.89Å; F362-F459 HydrophobicContact CB-CZ 3.9Å; F362-F459 HydrophobicContact CG-CE2 4.48Å; L363-F459 WeakPolarHBondContact O-CE1 3.44Å; L363-F459 VanDerWaalsContact O-CZ 3.28Å; L363-F459 WeakPolarHBondContact O-CZ 3.4Å; Y364-F459 HydrophobicContact CD2-CD1 4.33Å; Y364-F459 AromaticContact CD2-CE1 3.97Å; Y364-F459 HydrophobicContact CD2-CE1 3.97Å; Y364-F459 HydrophobicContact CD2-CE2 4.24Å; Y364-F459 AromaticContact CD2-CZ 3.92Å; Y364-F459 HydrophobicContact CD2-CZ 3.92Å; N417-F459 WeakPolarHBondContact OD1-CB 3.23Å; N417-F459 WeakPolarHBondContact OD1-CD1 2.85Å; N417-F459 WeakPolarHBondContact OD1-CD2 3.43Å; N417-F459 WeakPolarHBondContact OD1-CE1 3.41Å; N417-F459 VanDerWaalsContact OD1-CE2 3.28Å; N417-F459 WeakPolarHBondContact OD1-CE2 3.1Å; N417-F459 WeakPolarHBondContact OD1-CG 3.29Å; N417-F459 WeakPolarHBondContact OD1-CZ 3.45Å; T453-F459 HydrophobicContact CG2-CE2 3.72Å; T453-F459 HydrophobicContact CG2-CZ 4.25Å; T456-F459 PolarHBondContact O-N 2.9Å; T456-F459 VanDerWaalsContact O-N 3.16Å; K457-F459 PolarHBondContact O-N 2.92Å; F459-V461 VanDerWaalsContact C-N 3.32Å
460	N	65	Low	67.7	Low	132 Å²	132	45.3 Å²	45.3	71%	0.706	24%	0.243	S	C	*	.	S	Bend	trans	-85	-9.3	174.6	-68	-9	0	0	0	112.5	K457 T462	K457-N460 PolarHBondContact O-N 2.84Å; K457-N460 VanDerWaalsContact O-N 3.09Å; N460-T462 PolarHBondContact O-N 3.46Å
461	V	60.4	Low	65.8	Low	36 Å²	36	45.6 Å²	45.6	22%	0.218	24%	0.244	C	C	.	.	S	Bend	trans	-63.8	121.6	170.3	-178	0	0	0	0	106.4	I203 W213 F459 L463	I203-V461 HydrophobicContact CD1-CG1 4.23Å; W213-V461 HydrophobicContact CH2-CG2 4.23Å; F459-V461 VanDerWaalsContact C-N 3.32Å; V461-L463 VanDerWaalsContact C-N 3.29Å; V461-L463 PolarHBondContact O-N 2.05Å
462	T	54.4	Low	63.8	Low	120 Å²	120	46.1 Å²	46.1	74%	0.736	25%	0.248	S	C	*	.			trans	-60.6	91.3	178.9	-1.7	0	0	0	0	109.5	N460 N464	N460-T462 PolarHBondContact O-N 3.46Å; T462-N464 PolarHBondContact O-N 3.13Å
463	L	53.1	Low	61.7	Low	39 Å²	39	46.5 Å²	46.5	20%	0.204	25%	0.25	C	C	.	.			trans	-87.8	92.7	167.4	-64.5	164.5	0	0	0	104.7	K298 F413 V461 S465 I468	K298-L463 HydrophobicContact CD-CD2 4.46Å; F413-L463 HydrophobicContact CB-CD1 4.05Å; F413-L463 HydrophobicContact CD1-CD1 3.75Å; F413-L463 HydrophobicContact CD2-CD1 4.41Å; F413-L463 HydrophobicContact CE1-CD1 4.3Å; F413-L463 HydrophobicContact CG-CD1 3.8Å; V461-L463 VanDerWaalsContact C-N 3.29Å; V461-L463 PolarHBondContact O-N 2.05Å; L463-S465 PolarHBondContact O-N 2.99Å; L463-S465 VanDerWaalsContact O-N 3.16Å; L463-I468 HydrophobicContact CD2-CD1 3.69Å
464	N	49.1	Very low	59.6	Low	138 Å²	138	46.9 Å²	46.9	74%	0.738	25%	0.252	S	S	*	.	S	Bend	trans	-65.5	-13.8	-178.1	-75.9	-13.5	0	0	0	112.1	E199 T462	E199-N464 VanDerWaalsContact OE1-C 3.27Å; E199-N464 WeakPolarHBondContact OE1-CA 2.99Å; E199-N464 WeakPolarHBondContact OE1-CB 3.44Å; E199-N464 PolarHBondContact OE1-N 2.79Å; T462-N464 PolarHBondContact O-N 3.13Å
465	S	55	Low	57.3	Low	29 Å²	29	44.8 Å²	44.8	20%	0.203	25%	0.247	C	C	.	.			trans	-125.6	152.5	168	87.2	0	0	0	0	110.9	E199 L463 I467	E199-S465 VanDerWaalsContact CD-OG 3.27Å; E199-S465 WeakPolarHBondContact OE1-CB 3.45Å; E199-S465 PolarHBondContact OE1-N 2.01Å; E199-S465 PolarHBondContact OE1-OG 3.05Å; E199-S465 VanDerWaalsContact OE2-CB 3.22Å; E199-S465 WeakPolarHBondContact OE2-CB 3Å; E199-S465 PolarHBondContact OE2-OG 2.93Å; L463-S465 PolarHBondContact O-N 2.99Å; L463-S465 VanDerWaalsContact O-N 3.16Å; S465-I467 PolarHBondContact O-N 2.84Å; S465-I467 WeakPolarHBondContact OG-CA 3.09Å; S465-I467 PolarHBondContact OG-N 2.93Å; S465-I467 PolarHBondContact OG-O 2.83Å
466	N	55.4	Low	55	Low	43 Å²	43	48.6 Å²	48.6	23%	0.23	27%	0.265	C	S	.	.	S	Bend	trans	-74.7	-1.5	163.7	-62	-11.4	0	0	0	111.5	Y410 F413 Q415	Y410-N466 PolarHBondContact OH-O 2.85Å; Y410-N466 VanDerWaalsContact OH-O 3.08Å; F413-N466 PolarHBondContact N-O 2.87Å; Q415-N466 VanDerWaalsContact CG-OD1 3.26Å; Q415-N466 WeakPolarHBondContact CG-OD1 3.31Å; Q415-N466 VanDerWaalsContact NE2-CG 3.3Å; Q415-N466 PolarHBondContact NE2-ND2 2.83Å; Q415-N466 PolarHBondContact NE2-OD1 3.04Å
467	I	52.1	Low	52.8	Low	51 Å²	51	51.7 Å²	51.7	26%	0.262	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	92.6	-155.3	-50.4	-143.1	0	0	0	111.7	E398 Y410 S465	E398-I467 WeakPolarHBondContact O-CD1 2.97Å; Y410-I467 HydrophobicContact CD2-CG2 3.8Å; Y410-I467 HydrophobicContact CE2-CB 3.46Å; Y410-I467 VanDerWaalsContact CE2-CB 3.46Å; Y410-I467 HydrophobicContact CE2-CG1 4.19Å; Y410-I467 HydrophobicContact CE2-CG2 2.99Å; Y410-I467 WeakPolarHBondContact OH-CA 3.13Å; Y410-I467 WeakPolarHBondContact OH-CB 3.38Å; Y410-I467 WeakPolarHBondContact OH-CD1 3.48Å; Y410-I467 WeakPolarHBondContact OH-CG1 3.37Å; S465-I467 PolarHBondContact O-N 2.84Å; S465-I467 WeakPolarHBondContact OG-CA 3.09Å; S465-I467 PolarHBondContact OG-N 2.93Å; S465-I467 PolarHBondContact OG-O 2.83Å
468	I	55	Low	50.4	Low	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	126.6	178.1	-61.2	-175.9	0	0	0	112.2	E199 K298 Y410 Y411 F413 L463	E199-I468 HydrophobicContact CB-CD1 3.83Å; E199-I468 HydrophobicContact CB-CG1 3.82Å; E199-I468 HydrophobicContact CB-CG2 4.42Å; E199-I468 WeakPolarHBondContact O-CG2 3.2Å; K298-I468 VanDerWaalsContact CE-CD1 3.47Å; Y410-I468 WeakPolarHBondContact CD2-O 3.18Å; Y411-I468 PolarHBondContact N-O 3.35Å; F413-I468 HydrophobicContact CD2-CD1 4.3Å; F413-I468 HydrophobicContact CD2-CG1 4.34Å; F413-I468 HydrophobicContact CE2-CB 4.07Å; F413-I468 HydrophobicContact CE2-CD1 3.52Å; F413-I468 HydrophobicContact CE2-CG1 3.77Å; F413-I468 HydrophobicContact CZ-CD1 4.03Å; L463-I468 HydrophobicContact CD2-CD1 3.69Å
469	P	55.6	Low	48	Very low	28 Å²	28	56.3 Å²	56.3	18%	0.182	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	147.4	167.8	31.4	-33.3	0	0	0	112.1	I84 T471	I84-P469 HydrophobicContact CD1-CB 3.57Å; P469-T471 HydrophobicContact CG-CG2 4.3Å; P469-T471 PolarHBondContact O-N 3.15Å
470	M	50.6	Low	45.9	Very low	21 Å²	21	63 Å²	63	10%	0.103	35%	0.349	C	S	.	.			trans	-68.2	109.6	169.1	-74.6	-179.6	-179.2	0	0	111	N408 K409 Y411	N408-M470 WeakPolarHBondContact O-CE 3.38Å; K409-M470 PolarHBondContact O-N 3.46Å; Y411-M470 HydrophobicContact CE1-CE 4.39Å; Y411-M470 HydrophobicContact CE2-CE 3.93Å; Y411-M470 HydrophobicContact CE2-CG 3.61Å; Y411-M470 WeakPolarHBondContact OH-CE 3.5Å
471	T	51	Low	44	Very low	5 Å²	5	64 Å²	64	3%	0.031	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	161.3	174.7	57.1	0	0	0	0	111.8	A197 P469	A197-T471 HydrophobicContact CB-CG2 4Å; A197-T471 WeakPolarHBondContact CB-OG1 3.36Å; P469-T471 HydrophobicContact CG-CG2 4.3Å; P469-T471 PolarHBondContact O-N 3.15Å
472	T	47.7	Very low	42.3	Very low	13 Å²	13	69.7 Å²	69.7	8%	0.08	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	127.1	177.6	64.6	0	0	0	0	109.7	F27 A28 R233 A234	F27-T472 CarbonylContact C-O 3.4Å; F27-T472 WeakPolarHBondContact CA-O 3.33Å; A28-T472 PolarHBondContact N-O 3.32Å; A28-T472 PolarHBondContact O-N 3.23Å; A28-T472 PolarHBondContact O-OG1 3.44Å; R233-T472 HydrophobicContact CB-CG2 4.31Å; A234-T472 HydrophobicContact CB-CG2 3.63Å
473	E	44	Very low	40.8	Very low	12 Å²	12	72.2 Å²	72.2	6%	0.056	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	147.5	172.2	-176.4	-175.4	158.9	0	0	111.6	F27 E200 K229 S230 R233	F27-E473 HydrophobicContact CD1-CB 3.65Å; F27-E473 HydrophobicContact CD1-CG 4.11Å; F27-E473 HydrophobicContact CE1-CB 3.6Å; F27-E473 HydrophobicContact CE1-CG 3.74Å; F27-E473 HydrophobicContact CZ-CG 4.47Å; E200-E473 PolarHBondContact OE1-N 3.13Å; K229-E473 WeakPolarHBondContact CE-OE1 3.46Å; K229-E473 WeakPolarHBondContact CE-OE2 3.25Å; K229-E473 IonicContact NZ-OE1 3.14Å; K229-E473 PolarHBondContact NZ-OE1 3.12Å; K229-E473 IonicContact NZ-OE2 3.68Å; K229-E473 PolarHBondContact NZ-OE2 2.98Å; S230-E473 WeakPolarHBondContact CA-O 3.37Å; S230-E473 WeakPolarHBondContact CB-O 3.28Å; R233-E473 IonicContact CZ-OE2 3.62Å; R233-E473 IonicContact NE-OE2 3.58Å; R233-E473 IonicContact NH1-OE2 2.61Å; R233-E473 PolarHBondContact NH1-OE2 2.96Å; R233-E473 VanDerWaalsContact NH1-OE2 3.09Å; R233-E473 IonicContact NH2-OE2 3.32Å; R233-E473 PolarHBondContact NH2-OE2 3.18Å
474	S	41.9	Very low	39.4	Very low	14 Å²	14	79.4 Å²	79.4	10%	0.098	41%	0.414	C	S	.	.			trans	-120.2	135.8	171	80.3	0	0	0	0	111.2	L26 Y193 M476	L26-S474 WeakPolarHBondContact O-CA 3.49Å; L26-S474 WeakPolarHBondContact O-CB 3.24Å; L26-S474 PolarHBondContact O-N 3.45Å; L26-S474 VanDerWaalsContact O-O 3.11Å; L26-S474 PolarHBondContact O-OG 3.23Å; Y193-S474 WeakPolarHBondContact CD1-OG 3.33Å; Y193-S474 WeakPolarHBondContact CE1-OG 3.24Å; S474-M476 PolarHBondContact O-N 3.01Å
475	N	33.9	Very low	38.2	Very low	70 Å²	70	79 Å²	79	37%	0.374	42%	0.416	S	S	.	.			trans	-75.7	124.4	166.7	-73.2	-13.1	0	0	0	107.8	I477	N475-I477 PolarHBondContact O-N 3.03Å; N475-I477 VanDerWaalsContact O-N 3.1Å
476	M	31	Very low	36.7	Very low	107 Å²	107	83.5 Å²	83.5	53%	0.527	44%	0.443	S	S	.	.			trans	-49.3	115.9	171.6	-134.9	-162.8	-138.7	0	0	110.1	S474 G478	S474-M476 PolarHBondContact O-N 3.01Å; M476-G478 PolarHBondContact O-N 3.35Å
477	I	29.9	Very low	35.1	Very low	124 Å²	124	90.7 Å²	90.7	64%	0.636	48%	0.475	S	S	*	.			trans	-82.9	73.5	145.1	-53.7	175.4	0	0	0	104.2	N475 T479	N475-I477 PolarHBondContact O-N 3.03Å; N475-I477 VanDerWaalsContact O-N 3.1Å; I477-T479 VanDerWaalsContact C-N 3.29Å; I477-T479 PolarHBondContact O-N 3.21Å
478	G	27	Very low	33.8	Very low	43 Å²	43	97.2 Å²	97.2	44%	0.443	50%	0.504	S	S	.	.			trans	-61.7	105.9	157.4	0	0	0	0	0	104.9	M476 K480	M476-G478 PolarHBondContact O-N 3.35Å; G478-K480 PolarHBondContact O-N 3.06Å
479	T	26.1	Very low	32.3	Very low	121 Å²	121	106.1 Å²	106.1	74%	0.742	55%	0.546	S	S	*	.			trans	-62.4	75.7	152.2	42.5	0	0	0	0	105.7	I477 N481	I477-T479 VanDerWaalsContact C-N 3.29Å; I477-T479 PolarHBondContact O-N 3.21Å; T479-N481 VanDerWaalsContact C-N 3.3Å; T479-N481 PolarHBondContact O-N 3.32Å
480	K	26.1	Very low	30.8	Very low	177 Å²	177	110.3 Å²	110.3	77%	0.77	58%	0.576	S	S	*	*			trans	-51.1	116.3	146.4	-77.9	-175.2	179.1	175.8	0	102.1	G478 M482	G478-K480 PolarHBondContact O-N 3.06Å; K480-M482 PolarHBondContact O-N 3.5Å
481	N	25.4	Very low	29.4	Very low	154 Å²	154	117 Å²	117	82%	0.824	61%	0.613	S	S	*	*			trans	-45.5	97.1	162	-77	-35.8	0	0	0	105.1	T479 Q483	T479-N481 VanDerWaalsContact C-N 3.3Å; T479-N481 PolarHBondContact O-N 3.32Å; N481-Q483 PolarHBondContact O-N 3.41Å
482	M	24.1	Very low	28.2	Very low	155 Å²	155	126.4 Å²	126.4	76%	0.764	66%	0.656	S	S	*	*			trans	-63.8	91.9	160.4	-88.9	-177.7	77.1	0	0	101	K480 F484	K480-M482 PolarHBondContact O-N 3.5Å; M482-F484 PolarHBondContact O-N 2.97Å
483	Q	22.6	Very low	27.1	Very low	173 Å²	173	133 Å²	133	81%	0.808	69%	0.686	S	S	*	*			trans	-47.4	102.9	147.6	-98.3	172.2	-26.1	0	0	103.4	N481 V485	N481-Q483 PolarHBondContact O-N 3.41Å; Q483-V485 PolarHBondContact O-N 3Å
484	F	23.3	Very low	26.1	Very low	189 Å²	189	140.8 Å²	140.8	83%	0.829	72%	0.72	S	S	*	*			trans	-55	90.5	161.1	-81.9	-91.2	0	0	0	104.4	M482 T486	M482-F484 PolarHBondContact O-N 2.97Å; F484-T486 PolarHBondContact O-N 2.71Å
485	V	24	Very low	25.1	Very low	129 Å²	129	145.5 Å²	145.5	78%	0.782	75%	0.748	S	S	*	*			trans	-66.1	102.8	162.6	-179.7	0	0	0	0	102.6	Q483 E487	Q483-V485 PolarHBondContact O-N 3Å; V485-E487 PolarHBondContact O-N 2.96Å
486	T	23.6	Very low	24.6	Very low	124 Å²	124	150.1 Å²	150.1	76%	0.761	77%	0.767	S	S	*	*			trans	-43.6	125.4	174.5	14.2	0	0	0	0	108.9	F484 Q488	F484-T486 PolarHBondContact O-N 2.71Å; T486-Q488 PolarHBondContact O-N 3.33Å
487	E	22.3	Very low	24.3	Very low	195 Å²	195	151 Å²	151	91%	0.911	78%	0.778	S	S	*	*			trans	-50.3	95.8	173.9	-71.8	174.8	138.9	0	0	110.3	V485	V485-E487 PolarHBondContact O-N 2.96Å
488	Q	24.6	Very low	24	Very low	187 Å²	187	152.9 Å²	152.9	87%	0.874	78%	0.782	S	S	*	*			trans	-90.7	97.7	155.1	-84.8	-168.7	-33.7	0	0	107.9	T486 S490	T486-Q488 PolarHBondContact O-N 3.33Å; Q488-S490 PolarHBondContact O-N 3.38Å
489	Q	23.2	Very low	23.7	Very low	188 Å²	188	160.2 Å²	160.2	88%	0.879	80%	0.804	S	S	*	*			trans	-5.7	113.1	156.5	-65.3	175.1	-21.9	0	0	115.4
490	S	25.3	Very low	23.5	Very low	116 Å²	116	165.5 Å²	165.5	81%	0.811	81%	0.812	S	S	*	*			trans	-158	103.3	134.1	56.2	0	0	0	0	110.8	Q488	Q488-S490 PolarHBondContact O-N 3.38Å
491	N	20.6	Very low	23.3	Very low	162 Å²	162	163.1 Å²	163.1	87%	0.866	81%	0.808	S	S	*	*			trans	-72.9	127.6	154.4	-75.2	-31.9	0	0	0	107.7
492	Q	26.5	Very low	23.1	Very low	202 Å²	202	165.1 Å²	165.1	94%	0.944	80%	0.804	S	S	*	*				178.2	152.9	120	-98.9	172.9	-8.5	0	0	112.8
493	H	23.7	Very low	23	Very low	151 Å²	151	164 Å²	164	70%	0.699	80%	0.801	S	S	*	*			trans	-107.1	142.9	-160.4	-165.2	22.5	0	0	0	108.3
494	F	22.8	Very low	23.2	Very low	176 Å²	176	164.6 Å²	164.6	77%	0.772	80%	0.804	S	S	*	*				154.5	150.2	123	-100.1	-83.8	0	0	0	115.1
495	V	21.8	Very low	23.2	Very low	113 Å²	113	164.1 Å²	164.1	69%	0.685	80%	0.804	S	S	*	*			trans	-69.4	141	-178.3	173.5	0	0	0	0	112.8	V497	V495-V497 HydrophobicContact CG1-CG2 3.81Å
496	E	23.3	Very low	23.3	Very low	167 Å²	167	168.4 Å²	168.4	78%	0.78	81%	0.808	S	S	*	*			trans	-116.2	105.4	168.5	-159.7	-176.4	179.3	0	0	109.6
497	V	23.2	Very low	23.6	Very low	126 Å²	126	167 Å²	167	76%	0.764	80%	0.799	S	S	*	*			trans	-98.6	128.3	171.9	171.6	0	0	0	0	107.8	V495	V495-V497 HydrophobicContact CG1-CG2 3.81Å
498	K	24.7	Very low	24.3	Very low	163 Å²	163	162.8 Å²	162.8	71%	0.709	79%	0.787	S	S	*	*			trans	-103.3	119.2	175.3	-74.7	-175.1	178.3	176.4	0	112
499	E	21.4	Very low	24.7	Very low	197 Å²	197	161.6 Å²	161.6	92%	0.921	78%	0.782	S	S	*	*			trans	20.8	112	149.4	-97	170.2	158.1	0	0	119.8
500	Y	21.8	Very low	25.2	Very low	232 Å²	232	160 Å²	160	91%	0.91	77%	0.774	S	S	*	*			trans	-101.4	137	155.6	-89.9	-91.9	0	0	0	109.7
501	D	22	Very low	25.6	Very low	126 Å²	126	162.3 Å²	162.3	67%	0.674	77%	0.766	S	S	*	*			trans	-114.3	119.6	172.7	-146.2	-11.8	0	0	0	109.5
502	R	21.1	Very low	26.3	Very low	196 Å²	196	161.3 Å²	161.3	74%	0.74	75%	0.754	S	S	*	*			trans	73.7	137.1	143	-102.4	-176.5	-85.7	-162.1	-5.7	125.2
503	N	22.3	Very low	26.7	Very low	132 Å²	132	159.4 Å²	159.4	71%	0.706	75%	0.745	S	S	*	*			trans	88.5	100	148.6	-61.9	-8.5	0	0	0	117.3
504	E	25.8	Very low	27	Very low	186 Å²	186	158.8 Å²	158.8	87%	0.869	74%	0.743	S	S	*	*				-176.4	148.6	85.6	-98.8	171.9	-170.3	0	0	111.4
505	Q	22.9	Very low	27.5	Very low	178 Å²	178	157.5 Å²	157.5	83%	0.832	74%	0.737	S	S	*	*			trans	-71.7	126.3	-170.5	-72.1	156.7	-68.6	0	0	112.2
506	Y	27.2	Very low	28.1	Very low	219 Å²	219	157 Å²	157	86%	0.859	73%	0.731	S	S	*	*			trans	-130.8	124.7	141.3	-78.9	-82.1	0	0	0	108.5	T508	Y506-T508 PolarHBondContact O-N 3.01Å
507	T	30.5	Very low	28.5	Very low	95 Å²	95	156.8 Å²	156.8	58%	0.583	73%	0.729	S	S	*	*			trans	-59.7	114	-169.5	38.1	0	0	0	0	112.1	E509	T507-E509 PolarHBondContact O-N 2.81Å
508	T	35.3	Very low	29	Very low	106 Å²	106	156.6 Å²	156.6	65%	0.65	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-3.7	-178.4	-31.4	0	0	0	0	114.1	Y506	Y506-T508 PolarHBondContact O-N 3.01Å
509	E	34	Very low	29.5	Very low	163 Å²	163	155.3 Å²	155.3	76%	0.762	72%	0.72	S	S	*	*	H	α-helix	trans	-82.2	-23	-178.9	-73	-177.2	160	0	0	113.7	T507	T507-E509 PolarHBondContact O-N 2.81Å
510	Q	33	Very low	30	Very low	154 Å²	154	152.7 Å²	152.7	72%	0.72	71%	0.712	S	S	*	*	H	α-helix	trans	-78.3	-22.8	177.3	-81.5	-177.9	-37	0	0	114.2
511	Y	33.5	Very low	30.4	Very low	164 Å²	164	150.1 Å²	150.1	64%	0.643	71%	0.708	S	S	*	*	H	α-helix	trans	-91.8	-14	178.5	-80.2	-78.6	0	0	0	113.8	F515	Y511-F515 WeakPolarHBondContact O-CD2 3.34Å
512	K	35.6	Very low	30.9	Very low	142 Å²	142	152 Å²	152	62%	0.617	71%	0.711	S	S	*	*	H	α-helix	trans	-77	-30.7	178.1	-85.5	-176.2	174	-177.2	0	113.4	N516	K512-N516 PolarHBondContact O-N 3.2Å
513	E	34.1	Very low	31.4	Very low	161 Å²	161	151.4 Å²	151.4	75%	0.752	72%	0.716	S	S	*	*	H	α-helix	trans	-74	-32.4	176.4	-80.7	-178.2	156.9	0	0	112.4	F515	E513-F515 VanDerWaalsContact C-N 3.33Å; E513-F515 PolarHBondContact O-N 3.18Å
514	Q	31.1	Very low	31.8	Very low	139 Å²	139	153.9 Å²	153.9	65%	0.65	72%	0.724	S	S	*	*	H	α-helix	trans	-75.7	-20.8	178.4	-131.4	177.2	11.2	0	0	113.7
515	F	32.4	Very low	31.9	Very low	149 Å²	149	153.1 Å²	153.1	65%	0.654	73%	0.725	S	S	*	*	H	α-helix	trans	-86.1	-30.8	174.5	-96.3	-88.6	0	0	0	113	Y511 E513 E517 L518 E519	Y511-F515 WeakPolarHBondContact O-CD2 3.34Å; E513-F515 VanDerWaalsContact C-N 3.33Å; E513-F515 PolarHBondContact O-N 3.18Å; F515-E517 VanDerWaalsContact C-N 3.35Å; F515-E517 PolarHBondContact O-N 2.79Å; F515-L518 PolarHBondContact O-N 3.19Å; F515-E519 PolarHBondContact O-N 3.23Å
516	N	34.3	Very low	32	Very low	103 Å²	103	153.3 Å²	153.3	55%	0.551	73%	0.727	S	S	*	*	H	α-helix	trans	-77.4	-15.9	179.7	-78.5	3.4	0	0	0	114.1	K512	K512-N516 PolarHBondContact O-N 3.2Å
517	E	32.1	Very low	32	Very low	161 Å²	161	148.8 Å²	148.8	75%	0.752	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-25.1	167.5	-87.6	-174	157.6	0	0	112.6	F515	F515-E517 VanDerWaalsContact C-N 3.35Å; F515-E517 PolarHBondContact O-N 2.79Å
518	L	34.6	Very low	31.7	Very low	122 Å²	122	153 Å²	153	64%	0.639	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-9.2	-177.5	-122.3	99.5	0	0	0	114.4	F515	F515-L518 PolarHBondContact O-N 3.19Å
519	E	33.8	Very low	31.4	Very low	136 Å²	136	156.6 Å²	156.6	64%	0.636	74%	0.741	S	S	*	*	S	Bend	trans	-90	-19.5	178.3	-130.2	171.7	-167.4	0	0	112.8	F515	F515-E519 PolarHBondContact O-N 3.23Å
520	N	32.1	Very low	30.9	Very low	142 Å²	142	157.5 Å²	157.5	76%	0.759	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-4.6	178.2	-74.9	-23.1	0	0	0	114.8
521	E	31	Very low	30.8	Very low	178 Å²	178	156.7 Å²	156.7	83%	0.832	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	8	169.6	-80	-171.7	162.1	0	0	112.9
522	K	32.4	Very low	30.5	Very low	165 Å²	165	154.9 Å²	154.9	72%	0.717	74%	0.743	S	S	*	*	S	Bend	trans	-104.7	9.5	-179.3	-82.1	-172.7	175.4	-179.1	0	115.6
523	E	31.9	Very low	30.4	Very low	185 Å²	185	153.2 Å²	153.2	86%	0.864	74%	0.74	S	S	*	*	S	Bend	trans	-103.7	9.3	176.9	-100.3	-172.3	172.4	0	0	115.5
524	E	30.3	Very low	30.2	Very low	184 Å²	184	153 Å²	153	86%	0.86	74%	0.739	S	S	*	*	S	Bend	trans	-123	5	177.7	-85.9	-167.9	163.9	0	0	117.8
525	D	28.1	Very low	30.2	Very low	169 Å²	169	153.9 Å²	153.9	90%	0.904	74%	0.743	S	S	*	*			trans	-123.3	38.8	172.3	-77.1	-37.5	0	0	0	112.7
526	E	25.4	Very low	30.2	Very low	183 Å²	183	150.1 Å²	150.1	86%	0.855	73%	0.732	S	S	*	*			trans	-81.1	101.4	145.7	-87.3	-170.1	161.6	0	0	106.8
527	V	25.9	Very low	30	Very low	124 Å²	124	150.4 Å²	150.4	75%	0.752	73%	0.73	S	S	*	*			trans	175	125.9	149.4	153.8	0	0	0	0	109.3
528	K	25.3	Very low	30.1	Very low	184 Å²	184	148.3 Å²	148.3	80%	0.8	72%	0.724	S	S	*	*			trans	79.9	63.8	170.4	-65.7	166.6	-175.6	-174.5	0	117.4	Q530	K528-Q530 PolarHBondContact O-N 3.22Å; K528-Q530 VanDerWaalsContact O-N 3.1Å
529	E	27.7	Very low	29.9	Very low	181 Å²	181	148.2 Å²	148.2	85%	0.846	72%	0.723	S	S	*	*			trans	-67.5	94.8	132.4	-109.6	-178.7	167.8	0	0	107.3	H531	E529-H531 VanDerWaalsContact C-N 3.27Å; E529-H531 PolarHBondContact O-N 2.59Å
530	Q	25.4	Very low	29.8	Very low	182 Å²	182	146.8 Å²	146.8	85%	0.85	72%	0.717	S	S	*	*			trans	-69.3	93.8	167.1	-142.3	174.7	-7.4	0	0	105.9	K528 N532	K528-Q530 PolarHBondContact O-N 3.22Å; K528-Q530 VanDerWaalsContact O-N 3.1Å; Q530-N532 PolarHBondContact O-N 3.23Å; Q530-N532 VanDerWaalsContact O-N 3.07Å
531	H	29.5	Very low	29.7	Very low	137 Å²	137	146.9 Å²	146.9	63%	0.634	71%	0.712	S	S	*	*			trans	-48.4	117.7	168.3	-95.7	-87.7	0	0	0	108.1	E529 L533	E529-H531 VanDerWaalsContact C-N 3.27Å; E529-H531 PolarHBondContact O-N 2.59Å; H531-L533 PolarHBondContact O-N 2.86Å
532	N	28.1	Very low	29.7	Very low	126 Å²	126	147.7 Å²	147.7	67%	0.674	71%	0.709	S	S	*	*			trans	-68.6	86.4	173.5	-144	0.9	0	0	0	107	Q530 Q534	Q530-N532 PolarHBondContact O-N 3.23Å; Q530-N532 VanDerWaalsContact O-N 3.07Å; N532-Q534 PolarHBondContact O-N 3.16Å; N532-Q534 VanDerWaalsContact O-N 3.08Å
533	L	33.8	Very low	29.6	Very low	107 Å²	107	148.5 Å²	148.5	56%	0.56	71%	0.709	S	S	*	*	H	α-helix	trans	-59.9	-19.5	-168.6	-106.1	125.5	0	0	0	113.8	H531 E537	H531-L533 PolarHBondContact O-N 2.86Å; L533-E537 HydrophobicContact CD2-CG 4.29Å; L533-E537 WeakPolarHBondContact O-CB 3.39Å; L533-E537 PolarHBondContact O-N 2.89Å; L533-E537 VanDerWaalsContact O-N 3.07Å
534	Q	28.4	Very low	29.6	Very low	155 Å²	155	145.8 Å²	145.8	72%	0.724	70%	0.696	S	S	*	*	H	α-helix	trans	-75.4	-29	-175.2	-81	-179.8	-30.2	0	0	115	N532	N532-Q534 PolarHBondContact O-N 3.16Å; N532-Q534 VanDerWaalsContact O-N 3.08Å
535	E	31.4	Very low	29.6	Very low	159 Å²	159	144.2 Å²	144.2	74%	0.743	69%	0.689	S	S	*	*	H	α-helix	trans	-81.9	-23.9	176.9	-78.3	-172.4	157.8	0	0	112.3
536	T	33	Very low	29.8	Very low	70 Å²	70	142.8 Å²	142.8	43%	0.429	68%	0.677	S	S	.	*	H	α-helix	trans	-88.9	-30.2	179.8	-13.8	0	0	0	0	112.6	L539 Q540	T536-L539 PolarHBondContact O-N 3.14Å; T536-Q540 WeakPolarHBondContact O-CB 3.27Å; T536-Q540 PolarHBondContact O-N 2.92Å
537	E	30.5	Very low	30.2	Very low	109 Å²	109	142.5 Å²	142.5	51%	0.509	67%	0.672	S	S	.	*	H	α-helix	trans	-65.5	-40	174.5	-84.7	-178.7	155.3	0	0	112.7	L533 L539 Q540 Q541	L533-E537 HydrophobicContact CD2-CG 4.29Å; L533-E537 WeakPolarHBondContact O-CB 3.39Å; L533-E537 PolarHBondContact O-N 2.89Å; L533-E537 VanDerWaalsContact O-N 3.07Å; E537-L539 VanDerWaalsContact C-N 3.33Å; E537-L539 PolarHBondContact O-N 3.24Å; E537-Q540 PolarHBondContact O-N 2.81Å; E537-Q541 PolarHBondContact O-N 2.8Å
538	L	32.6	Very low	30.4	Very low	116 Å²	116	139.1 Å²	139.1	61%	0.607	66%	0.663	S	S	*	*	H	α-helix	trans	-64.7	-36.8	176	-97.1	157.4	0	0	0	112.4
539	L	32.4	Very low	30.6	Very low	120 Å²	120	137.7 Å²	137.7	63%	0.628	66%	0.659	S	S	*	*	H	α-helix	trans	-77	-30.4	177.3	-124.7	91.3	0	0	0	112.8	T536 E537	T536-L539 PolarHBondContact O-N 3.14Å; E537-L539 VanDerWaalsContact C-N 3.33Å; E537-L539 PolarHBondContact O-N 3.24Å
540	Q	31	Very low	30.7	Very low	107 Å²	107	135.9 Å²	135.9	50%	0.5	65%	0.654	S	S	.	*	H	α-helix	trans	-79.5	-30.9	177.7	-105.9	175	-21.2	0	0	113.5	T536 E537 Y542 Y543 Q544	T536-Q540 WeakPolarHBondContact O-CB 3.27Å; T536-Q540 PolarHBondContact O-N 2.92Å; E537-Q540 PolarHBondContact O-N 2.81Å; Q540-Y542 PolarHBondContact O-N 3.42Å; Q540-Y543 PolarHBondContact O-N 3.22Å; Q540-Q544 WeakPolarHBondContact O-CB 3.31Å; Q540-Q544 PolarHBondContact O-N 2.9Å
541	Q	30.3	Very low	31	Very low	143 Å²	143	133.9 Å²	133.9	67%	0.668	65%	0.649	S	S	*	*	H	α-helix	trans	-60.8	-34.8	170.4	-81.6	-175.6	-17.8	0	0	111.8	E537 Y543	E537-Q541 PolarHBondContact O-N 2.8Å; Q541-Y543 PolarHBondContact O-N 2.9Å
542	Y	30	Very low	31	Very low	195 Å²	195	136 Å²	136	77%	0.765	66%	0.66	S	S	*	*	H	α-helix	trans	-67.7	-29.5	176.2	-105.4	-83.2	0	0	0	114.4	Q540	Q540-Y542 PolarHBondContact O-N 3.42Å
543	Y	30.9	Very low	31	Very low	183 Å²	183	139.6 Å²	139.6	72%	0.718	67%	0.669	S	S	*	*	H	α-helix	trans	-104.6	-15.5	-176.2	-82	-72.2	0	0	0	114.9	Q540 Q541	Q540-Y543 PolarHBondContact O-N 3.22Å; Q541-Y543 PolarHBondContact O-N 2.9Å
544	Q	30.9	Very low	30.7	Very low	128 Å²	128	145.7 Å²	145.7	60%	0.598	69%	0.685	S	S	*	*	H	α-helix	trans	-95.3	-16.4	177.4	-75.8	-170.1	-23	0	0	114.6	Q540 E546 K547 G548	Q540-Q544 WeakPolarHBondContact O-CB 3.31Å; Q540-Q544 PolarHBondContact O-N 2.9Å; Q544-E546 PolarHBondContact O-N 2.96Å; Q544-K547 PolarHBondContact O-N 3.18Å; Q544-K547 VanDerWaalsContact O-N 3.15Å; Q544-G548 PolarHBondContact O-N 3.16Å
545	H	30.3	Very low	30.6	Very low	150 Å²	150	141.5 Å²	141.5	69%	0.694	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-16.6	174.1	-147.3	-71	0	0	0	113.2
546	E	32.9	Very low	30.2	Very low	140 Å²	140	139.4 Å²	139.4	65%	0.654	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	1.2	173.6	-88.4	-173.2	168.5	0	0	114.4	R162 Q544	R162-E546 IonicContact NH2-OE1 3.64Å; R162-E546 PolarHBondContact NH2-OE1 3Å; R162-E546 VanDerWaalsContact NH2-OE1 3.13Å; Q544-E546 PolarHBondContact O-N 2.96Å
547	K	33.6	Very low	29.9	Very low	176 Å²	176	144.8 Å²	144.8	77%	0.765	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.9	-12	175.3	-109.8	-179.3	-179.9	178.4	0	115.5	Q544	Q544-K547 PolarHBondContact O-N 3.18Å; Q544-K547 VanDerWaalsContact O-N 3.15Å
548	G	30.1	Very low	29.6	Very low	53 Å²	53	149.8 Å²	149.8	55%	0.546	73%	0.727	S	S	.	*	S	Bend	trans	-79.1	-28.4	-180	0	0	0	0	0	115.5	Q544	Q544-G548 PolarHBondContact O-N 3.16Å
549	E	29.2	Very low	29.2	Very low	154 Å²	154	149 Å²	149	72%	0.72	73%	0.731	S	S	*	*	S	Bend	trans	-96.6	-3.6	-172.3	-88	-169.4	141.2	0	0	115.7
550	L	30.3	Very low	28.7	Very low	143 Å²	143	152.3 Å²	152.3	75%	0.749	74%	0.743	S	S	*	*	S	Bend	trans	-92.1	-13.2	177.9	-91.8	160.1	0	0	0	114.6
551	D	31.2	Very low	28.4	Very low	140 Å²	140	153.5 Å²	153.5	75%	0.749	76%	0.758	S	S	*	*	S	Bend	trans	-104.5	-4.3	-179.9	-80.9	-28	0	0	0	115
552	E	29.6	Very low	27.9	Very low	182 Å²	182	153.2 Å²	153.2	85%	0.85	76%	0.76	S	S	*	*	S	Bend	trans	-96.7	-2.4	175.3	-115.3	179.1	-176	0	0	115.3
553	K	28.9	Very low	27.5	Very low	202 Å²	202	152.9 Å²	152.9	88%	0.878	76%	0.759	S	S	*	*	S	Bend	trans	-105.1	12.5	172	-85.4	-176.2	179	172.5	0	115.4
554	R	28	Very low	27.2	Very low	234 Å²	234	152.1 Å²	152.1	88%	0.883	76%	0.761	S	S	*	*	S	Bend	trans	-108.3	16.7	173.9	-139.8	177.3	-164.3	179.7	5.3	114.9
555	G	24.9	Very low	26.6	Very low	68 Å²	68	154.8 Å²	154.8	70%	0.701	77%	0.771	S	S	*	*	S	Bend	trans	-123.4	13.5	-165.4	0	0	0	0	0	117.9
556	S	24.7	Very low	26.4	Very low	114 Å²	114	154.9 Å²	154.9	80%	0.797	78%	0.777	S	S	*	*	S	Bend	trans	-166.8	87.1	168.3	-165.5	0	0	0	0	112.4
557	E	26.2	Very low	26.5	Very low	184 Å²	184	153.2 Å²	153.2	86%	0.86	78%	0.778	S	S	*	*			trans	-169.2	95.6	133.8	-106	171	-167	0	0	108.1	S559	E557-S559 PolarHBondContact O-N 2.79Å
558	K	23.7	Very low	26	Very low	213 Å²	213	155.7 Å²	155.7	93%	0.926	78%	0.784	S	S	*	*			trans	-64.1	108.1	157.4	-75.3	172.8	173.9	176	0	107.1
559	S	24.4	Very low	25.6	Very low	100 Å²	100	157.9 Å²	157.9	70%	0.699	79%	0.787	S	S	*	*			trans	-133	95.6	149.9	61	0	0	0	0	108.2	E557 T561	E557-S559 PolarHBondContact O-N 2.79Å; S559-T561 PolarHBondContact O-N 2.64Å
560	E	22.6	Very low	25.2	Very low	189 Å²	189	157.3 Å²	157.3	88%	0.883	79%	0.789	S	S	*	*			trans	-56.6	109.9	158.6	-68	172.3	150.1	0	0	108.8
561	T	25	Very low	25	Very low	132 Å²	132	159.7 Å²	159.7	81%	0.81	80%	0.796	S	S	*	*			trans	-152.1	100.5	146.2	31.3	0	0	0	0	108.5	S559	S559-T561 PolarHBondContact O-N 2.64Å
562	L	19.5	Very low	24.5	Very low	137 Å²	137	161.5 Å²	161.5	72%	0.717	80%	0.8	S	S	*	*			trans	-61.8	154.4	160.4	-90.5	82	0	0	0	110.8
563	Y	21.9	Very low	24.2	Very low	189 Å²	189	160.8 Å²	160.8	74%	0.741	80%	0.797	S	S	*	*			trans	99.7	118.4	145.8	-81.3	-64.8	0	0	0	120.6
564	H	23.9	Very low	23.7	Very low	166 Å²	166	159.2 Å²	159.2	77%	0.769	79%	0.793	S	S	*	*			trans	100.2	109.5	141.3	-73.6	-60.6	0	0	0	120.5
565	K	18.9	Very low	23.3	Very low	185 Å²	185	158.6 Å²	158.6	80%	0.804	79%	0.792	S	S	*	*			trans	-39.6	139.3	147	-68.8	172.8	166.3	-179.4	0	112.8
566	D	25.2	Very low	23.2	Very low	151 Å²	151	161.9 Å²	161.9	81%	0.807	80%	0.798	S	S	*	*				-176	158.2	95.9	-97.4	-24.7	0	0	0	111.2
567	P	35.9	Very low	22.9	Very low	105 Å²	105	165.6 Å²	165.6	68%	0.682	80%	0.803	S	S	*	*			trans	-104	133.7	-170	35.7	-25.1	0	0	0	112.6
568	Y	22.6	Very low	22.8	Very low	228 Å²	228	165.6 Å²	165.6	89%	0.894	81%	0.806	S	S	*	*			trans	-153	110.1	160.6	-106.4	-88.6	0	0	0	110.8
569	T	21.1	Very low	22.6	Very low	100 Å²	100	164.5 Å²	164.5	61%	0.613	80%	0.804	S	S	*	*				44.6	126.5	125	-14.7	0	0	0	0	121.4
570	D	21.1	Very low	22.4	Very low	142 Å²	142	169 Å²	169	76%	0.759	81%	0.813	S	S	*	*			trans	31.2	118.4	140.9	-54.6	-21.6	0	0	0	118.5
571	E	25	Very low	22.4	Very low	193 Å²	193	164.8 Å²	164.8	90%	0.902	81%	0.811	S	S	*	*				-175.3	156.4	111.8	-97.3	171.3	-163.7	0	0	111.1
572	E	21.1	Very low	22.1	Very low	177 Å²	177	163.9 Å²	163.9	83%	0.827	81%	0.81	S	S	*	*			trans	-72.8	-178.7	-165	-61.6	169.8	138.1	0	0	114.2
573	E	23.4	Very low	22.4	Very low	167 Å²	167	165.3 Å²	165.3	78%	0.78	82%	0.817	S	S	*	*			trans	101.8	94.8	155.6	-58.8	-164.9	160.9	0	0	119.1
574	Q	19.4	Very low	22.3	Very low	169 Å²	169	163.7 Å²	163.7	79%	0.79	82%	0.82	S	S	*	*				86	117.1	110.5	-128.7	171.5	36.4	0	0	119.6
575	Y	17.8	Very low	22.4	Very low	222 Å²	222	162.5 Å²	162.5	87%	0.871	82%	0.82	S	S	*	*			trans	-30.5	135.5	159.5	-79.9	-99.9	0	0	0	115.9
576	T	23	Very low	22.6	Very low	136 Å²	136	161.3 Å²	161.3	83%	0.834	82%	0.817	S	S	*	*			trans	-137	117.4	146.1	11.2	0	0	0	0	109.6
577	E	18.2	Very low	22.5	Very low	193 Å²	193	161.4 Å²	161.4	90%	0.902	81%	0.813	S	S	*	*			trans	-52.1	140.3	155.6	-87.7	168.6	137.3	0	0	110.1
578	M	24.3	Very low	21.9	Very low	184 Å²	184	163.2 Å²	163.2	91%	0.906	82%	0.817	S	S	*	*			trans	-139.5	125.8	157.2	-152.6	175.4	-66.2	0	0	109.5
579	E	20.7	Very low	22	Very low	190 Å²	190	157.3 Å²	157.3	89%	0.888	81%	0.808	S	S	*	*			trans	-61.6	163.4	179.2	-76.6	171	129.9	0	0	114.5
580	E	19	Very low	22.1	Very low	193 Å²	193	161.8 Å²	161.8	90%	0.902	82%	0.822	S	S	*	*			trans	-42.6	144.9	175.2	-61.8	172.3	140.5	0	0	116.9
581	A	23.5	Very low	22.4	Very low	101 Å²	101	160.6 Å²	160.6	84%	0.835	83%	0.825	S	S	*	*			trans	-147.1	114.5	145	0	0	0	0	0	110.5
582	S	19.5	Very low	22.4	Very low	113 Å²	113	155.9 Å²	155.9	79%	0.79	82%	0.819	S	S	*	*			trans	-68.2	135.3	168.1	58.6	0	0	0	0	112.3
583	I	25.1	Very low	22.5	Very low	168 Å²	168	154.9 Å²	154.9	86%	0.862	82%	0.819	S	S	*	*			trans	-142.1	126.3	151	-60.3	-176.5	0	0	0	109.4
584	L	19.6	Very low	22.4	Very low	154 Å²	154	158 Å²	158	81%	0.806	82%	0.824	S	S	*	*			trans	-73.7	147.8	171.7	-79.6	135.3	0	0	0	113.1
585	N	26	Very low	22.6	Very low	142 Å²	142	157 Å²	157	76%	0.759	82%	0.823	S	S	*	*			trans	170.9	111.4	132.5	-89.9	-1.4	0	0	0	108.8
586	E	23.5	Very low	22.9	Very low	159 Å²	159	153.2 Å²	153.2	74%	0.743	82%	0.818	S	S	*	*				82	111	91.2	-89.1	-172.6	173.3	0	0	115.4
587	E	22.3	Very low	22.9	Very low	154 Å²	154	153 Å²	153	72%	0.72	82%	0.816	S	S	*	*			trans	57.7	106.6	136.1	-60.4	-170.5	167.6	0	0	120.9
588	N	23.1	Very low	23.1	Very low	143 Å²	143	151.4 Å²	151.4	77%	0.765	81%	0.814	S	S	*	*				162.5	147.1	92.9	-100.7	-40.3	0	0	0	113.8
589	S	24.9	Very low	23.1	Very low	103 Å²	103	148.7 Å²	148.7	72%	0.72	81%	0.808	S	S	*	*			trans	84.7	93.4	155	69.8	0	0	0	0	120.5
590	H	24.3	Very low	23.2	Very low	194 Å²	194	147.1 Å²	147.1	90%	0.898	81%	0.806	S	S	*	*				30.1	106.3	126.4	-63.1	-67.1	0	0	0	119.8
591	S	27.6	Very low	23.5	Very low	118 Å²	118	148.5 Å²	148.5	83%	0.825	80%	0.804	S	S	*	*				-170.9	127	115.9	44.4	0	0	0	0	108.8	N593	S591-N593 PolarHBondContact O-N 2.74Å
592	A	23.3	Very low	23.5	Very low	94 Å²	94	149.3 Å²	149.3	78%	0.777	80%	0.799	S	S	*	*			trans	-70.2	108.2	-174.2	0	0	0	0	0	110.2
593	N	24.1	Very low	23.7	Very low	155 Å²	155	152.9 Å²	152.9	83%	0.829	80%	0.803	S	S	*	*			trans	-116.9	111.5	164.9	-149.6	4.9	0	0	0	107.2	S591 L595	S591-N593 PolarHBondContact O-N 2.74Å; N593-L595 PolarHBondContact O-N 3.08Å; N593-L595 VanDerWaalsContact O-N 3.16Å
594	W	21.5	Very low	23.9	Very low	234 Å²	234	151.9 Å²	151.9	89%	0.886	80%	0.8	S	S	*	*			trans	-79.5	90.5	-176	-76.9	82.4	0	0	0	109.7
595	L	23.2	Very low	24.2	Very low	148 Å²	148	152.4 Å²	152.4	78%	0.775	80%	0.798	S	S	*	*			trans	-160.8	122.4	161	-104.5	136.3	0	0	0	109.3	N593	N593-L595 PolarHBondContact O-N 3.08Å; N593-L595 VanDerWaalsContact O-N 3.16Å
596	N	24.6	Very low	24.3	Very low	142 Å²	142	153.4 Å²	153.4	76%	0.759	80%	0.798	S	S	*	*			trans	65.8	106.6	171.6	-69.4	-16	0	0	0	116.8
597	T	23.2	Very low	24.6	Very low	130 Å²	130	153.5 Å²	153.5	80%	0.798	80%	0.804	S	S	*	*				176.7	146.6	94.5	29.9	0	0	0	0	110.8	T599	T597-T599 PolarHBondContact O-N 3.25Å
598	N	22.9	Very low	25	Very low	161 Å²	161	155 Å²	155	86%	0.861	81%	0.811	S	S	*	*			trans	-27.6	126.6	161.9	-70.5	-16	0	0	0	113.3
599	T	23.4	Very low	25.2	Very low	126 Å²	126	158.4 Å²	158.4	77%	0.773	82%	0.815	S	S	*	*			trans	-156.5	135.4	149	9	0	0	0	0	109.5	T597 Y601	T597-T599 PolarHBondContact O-N 3.25Å; T599-Y601 PolarHBondContact O-N 2.98Å
600	D	23.6	Very low	25.3	Very low	157 Å²	157	159.2 Å²	159.2	84%	0.84	81%	0.811	S	S	*	*			trans	-43.2	117.4	177.5	-66.1	-57.5	0	0	0	112.8	T602	D600-T602 PolarHBondContact O-N 3.42Å
601	Y	24	Very low	25.5	Very low	222 Å²	222	155.9 Å²	155.9	87%	0.871	80%	0.804	S	S	*	*			trans	-83.6	105.5	158.1	-92.3	-87.7	0	0	0	108.4	T599	T599-Y601 PolarHBondContact O-N 2.98Å
602	T	23.5	Very low	25.6	Very low	118 Å²	118	154.5 Å²	154.5	72%	0.724	79%	0.794	S	S	*	*			trans	-52.5	144.4	156.9	10.5	0	0	0	0	110.4	D600 N604	D600-T602 PolarHBondContact O-N 3.42Å; T602-N604 PolarHBondContact O-N 2.89Å
603	E	24.9	Very low	25.9	Very low	189 Å²	189	155.8 Å²	155.8	88%	0.883	79%	0.793	S	S	*	*			trans	-41	116.2	169.2	-67.9	167.7	144.3	0	0	112
604	N	28.4	Very low	26.1	Very low	146 Å²	146	156.4 Å²	156.4	78%	0.781	80%	0.795	S	S	*	*			trans	-125.4	96.1	148.4	-75.1	-34	0	0	0	103.6	T602	T602-N604 PolarHBondContact O-N 2.89Å
605	E	27	Very low	26.5	Very low	165 Å²	165	153 Å²	153	77%	0.771	79%	0.789	S	S	*	*				56.3	113	98.3	-80.4	-170	176.3	0	0	113.6
606	E	27.2	Very low	26.8	Very low	164 Å²	164	151.6 Å²	151.6	77%	0.766	79%	0.792	S	S	*	*			trans	74	91	147	-57.7	-173.3	174.1	0	0	118
607	D	30.6	Very low	27	Very low	160 Å²	160	153 Å²	153	86%	0.856	79%	0.791	S	S	*	*				-153.9	67.2	127	-88.4	-30.1	0	0	0	107.5	Y609	D607-Y609 PolarHBondContact O-N 2.94Å
608	E	29	Very low	27.2	Very low	187 Å²	187	153.1 Å²	153.1	87%	0.874	79%	0.787	S	S	*	*			trans	-72.8	108.3	173	-166.3	172.4	-159.3	0	0	108.3	D610	E608-D610 PolarHBondContact O-N 3.49Å
609	Y	28.8	Very low	27.5	Very low	214 Å²	214	153 Å²	153	84%	0.839	79%	0.786	S	S	*	*			trans	-65.2	100.7	165.8	-87.5	-93.6	0	0	0	108.7	D607 T611	D607-Y609 PolarHBondContact O-N 2.94Å; Y609-T611 PolarHBondContact O-N 3.02Å
610	D	26.3	Very low	27.7	Very low	119 Å²	119	156.2 Å²	156.2	64%	0.636	79%	0.793	S	S	*	*			trans	-52.2	104.1	170.2	-169.9	3.3	0	0	0	110.6	E608 S612	E608-D610 PolarHBondContact O-N 3.49Å; D610-S612 PolarHBondContact OD1-N 3.23Å; D610-S612 PolarHBondContact OD1-OG 3.45Å
611	T	28	Very low	27.7	Very low	125 Å²	125	155.5 Å²	155.5	77%	0.767	79%	0.794	S	S	*	*			trans	-119.4	25.6	168.8	42.5	0	0	0	0	111.1	Y609 T613	Y609-T611 PolarHBondContact O-N 3.02Å; T611-T613 PolarHBondContact O-N 2.91Å; T611-T613 VanDerWaalsContact O-N 3.16Å
612	S	29.7	Very low	27.8	Very low	88 Å²	88	150.2 Å²	150.2	62%	0.615	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	7.7	176.3	68.4	0	0	0	0	114.3	D610	D610-S612 PolarHBondContact OD1-N 3.23Å; D610-S612 PolarHBondContact OD1-OG 3.45Å
613	T	29.2	Very low	27.8	Very low	122 Å²	122	153.7 Å²	153.7	75%	0.748	79%	0.793	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	25.3	178	-18.7	0	0	0	0	115.4	T611	T611-T613 PolarHBondContact O-N 2.91Å; T611-T613 VanDerWaalsContact O-N 3.16Å
614	L	28.1	Very low	27.8	Very low	167 Å²	167	148.2 Å²	148.2	87%	0.874	79%	0.787	S	S	*	*			trans	-129	62.4	161.3	-128.6	97.1	0	0	0	110.3	S616	L614-S616 PolarHBondContact O-N 3.34Å
615	E	30.6	Very low	27.6	Very low	162 Å²	162	149.1 Å²	149.1	76%	0.757	79%	0.792	S	S	*	*			trans	-55.9	124.7	164.5	-80.4	-176	152.5	0	0	110.1	F617	E615-F617 PolarHBondContact O-N 2.95Å; E615-F617 VanDerWaalsContact O-N 3.16Å
616	S	29.1	Very low	27.5	Very low	119 Å²	119	148.5 Å²	148.5	83%	0.832	79%	0.793	S	S	*	*			trans	-49.7	104.6	162.3	49.9	0	0	0	0	112.3	L614	L614-S616 PolarHBondContact O-N 3.34Å
617	F	29.2	Very low	27.2	Very low	172 Å²	172	146.8 Å²	146.8	75%	0.754	79%	0.794	S	S	*	*			trans	-94.1	135.2	143	-74.6	-93.5	0	0	0	105.6	E615	E615-F617 PolarHBondContact O-N 2.95Å; E615-F617 VanDerWaalsContact O-N 3.16Å
618	D	28.1	Very low	27	Very low	133 Å²	133	149.4 Å²	149.4	71%	0.711	79%	0.794	S	S	*	*			cis	-159	128.4	9.4	-90	-48.9	0	0	0	104.3
619	D	28	Very low	26.6	Very low	157 Å²	157	145.1 Å²	145.1	84%	0.84	79%	0.79	S	S	*	*			trans	-170.3	91.6	153.9	-108.2	-18	0	0	0	109.2
620	Q	27.8	Very low	26.6	Very low	195 Å²	195	141.6 Å²	141.6	91%	0.911	79%	0.791	S	S	*	*			trans	-178.8	88.3	141.1	-98.5	162.9	49.8	0	0	110.8	V622	Q620-V622 PolarHBondContact O-N 3.46Å
621	T	23.4	Very low	26.3	Very low	141 Å²	141	144.3 Å²	144.3	87%	0.865	80%	0.8	S	S	*	*			trans	-70.3	107.8	157	37.3	0	0	0	0	110.2
622	V	26.6	Very low	26.2	Very low	112 Å²	112	144.9 Å²	144.9	68%	0.679	80%	0.798	S	S	*	*			trans	-145.4	118.2	156.9	-176.3	0	0	0	0	110.3	Q620	Q620-V622 PolarHBondContact O-N 3.46Å
623	E	23.7	Very low	26	Very low	191 Å²	191	148.7 Å²	148.7	89%	0.893	81%	0.806	S	S	*	*			trans	64.7	128.2	152.1	-69.4	173.6	177.7	0	0	121.5
624	G	24.6	Very low	25.9	Very low	74 Å²	74	148.6 Å²	148.6	76%	0.763	81%	0.81	S	S	*	*			trans	154	90	153	0	0	0	0	0	114.3	L626	G624-L626 PolarHBondContact O-N 3.27Å
625	D	24.6	Very low	25.6	Very low	164 Å²	164	147.7 Å²	147.7	88%	0.877	81%	0.806	S	S	*	*			trans	-37.9	123.9	167.7	-75.4	-47.3	0	0	0	114
626	L	24.8	Very low	25.5	Very low	152 Å²	152	148.2 Å²	148.2	80%	0.796	81%	0.813	S	S	*	*			trans	-141.2	101.7	156	-104.6	154.6	0	0	0	109.9	G624 Y628	G624-L626 PolarHBondContact O-N 3.27Å; L626-Y628 HydrophobicContact CD2-CD2 4.39Å; L626-Y628 HydrophobicContact CD2-CE2 4.27Å
627	T	20.9	Very low	25.1	Very low	129 Å²	129	150.3 Å²	150.3	79%	0.791	81%	0.81	S	S	*	*			trans	-72.6	115.8	168.4	28.1	0	0	0	0	109.6
628	Y	27	Very low	24.9	Very low	215 Å²	215	150.4 Å²	150.4	84%	0.843	81%	0.814	S	S	*	*			trans	-137.8	113.6	149	-89.8	-79.6	0	0	0	109.4	L626	L626-Y628 HydrophobicContact CD2-CD2 4.39Å; L626-Y628 HydrophobicContact CD2-CE2 4.27Å
629	A	21	Very low	24.8	Very low	96 Å²	96	149.3 Å²	149.3	79%	0.793	81%	0.812	S	S	*	*			trans	-73.8	131	168.9	0	0	0	0	0	109.7
630	T	26.8	Very low	24.5	Very low	140 Å²	140	149.3 Å²	149.3	86%	0.859	81%	0.807	S	S	*	*			trans	-148.8	128.2	145.9	20.9	0	0	0	0	109.7
631	E	21.8	Very low	24.4	Very low	176 Å²	176	147.8 Å²	147.8	82%	0.822	80%	0.803	S	S	*	*			trans	-51.4	137.3	178.8	-61.6	158.2	156.8	0	0	114.2
632	N	25.9	Very low	24.4	Very low	137 Å²	137	147.3 Å²	147.3	73%	0.733	79%	0.791	S	S	*	*				178.6	132.5	105	-101.9	-18.5	0	0	0	113.8
633	E	24.3	Very low	24.5	Very low	168 Å²	168	149.4 Å²	149.4	79%	0.785	80%	0.799	S	S	*	*			trans	57	99.3	142.8	-61	-177.5	162.2	0	0	119.9
634	S	27.4	Very low	24.5	Very low	120 Å²	120	148.6 Å²	148.6	84%	0.839	79%	0.792	S	S	*	*				163	124	87.6	47.6	0	0	0	0	111.5
635	N	21.5	Very low	24.8	Very low	148 Å²	148	153.5 Å²	153.5	79%	0.791	80%	0.795	S	S	*	*			trans	-66.1	126.4	177.3	-65.2	-55	0	0	0	111.9
636	I	29.5	Very low	24.7	Very low	173 Å²	173	153.3 Å²	153.3	89%	0.887	79%	0.794	S	S	*	*			trans	-135	106.3	130.1	-62.5	-173.7	0	0	0	107.6
637	Q	20.8	Very low	24.7	Very low	164 Å²	164	154.7 Å²	154.7	77%	0.766	80%	0.799	S	S	*	*			trans	-95.6	124.9	-178.7	-160.9	179.2	23.1	0	0	107.5
638	M	24.5	Very low	25.5	Very low	173 Å²	173	153.9 Å²	153.9	85%	0.852	80%	0.795	S	S	*	*			trans	-143.7	86	152.2	-120.1	-170.8	-74.9	0	0	109.4
639	T	25.3	Very low	25.6	Very low	110 Å²	110	149 Å²	149	68%	0.675	79%	0.79	S	S	*	*			trans	31.2	106.4	137.7	50	0	0	0	0	118.2
640	H	21.8	Very low	25.9	Very low	157 Å²	157	152.9 Å²	152.9	73%	0.727	79%	0.789	S	S	*	*				49.3	102.7	91.3	-96.7	-70.2	0	0	0	115.4
641	I	27.1	Very low	25.7	Very low	163 Å²	163	154 Å²	154	84%	0.836	78%	0.784	S	S	*	*			trans	-133.6	114.8	134.1	-63.1	-175.8	0	0	0	107.4
642	H	23.4	Very low	25.9	Very low	131 Å²	131	152.8 Å²	152.8	61%	0.606	78%	0.783	S	S	*	*			trans	-65.2	138.7	164.4	-92.6	-61.8	0	0	0	109.6
643	D	27.6	Very low	25.7	Very low	156 Å²	156	155.3 Å²	155.3	83%	0.834	78%	0.784	S	S	*	*			trans	-144.6	107.9	135.6	-95.4	-32.9	0	0	0	110.1
644	K	23.2	Very low	25.6	Very low	174 Å²	174	154.4 Å²	154.4	76%	0.757	78%	0.784	S	S	*	*			trans	-78.8	116.2	163.1	-85.8	177.1	171.7	176	0	107
645	H	30.8	Very low	25.2	Very low	178 Å²	178	154.1 Å²	154.1	82%	0.824	78%	0.777	S	S	*	*			trans	-143	97.2	147.7	-88.9	-63.3	0	0	0	110.5	M647	H645-M647 PolarHBondContact O-N 2.72Å
646	N	22.4	Very low	25.1	Very low	160 Å²	160	151.8 Å²	151.8	86%	0.856	77%	0.768	S	S	*	*			trans	-57.8	121.7	151.6	-80.2	-22.4	0	0	0	109
647	M	25.5	Very low	24.6	Very low	181 Å²	181	149.2 Å²	149.2	89%	0.892	76%	0.761	S	S	*	*			trans	-172.5	125.1	136.6	-110.6	-176	149.4	0	0	110.9	H645	H645-M647 PolarHBondContact O-N 2.72Å
648	P	38.1	Very low	24.7	Very low	112 Å²	112	147.2 Å²	147.2	73%	0.727	76%	0.76	S	S	*	*			trans	-78.4	159.8	160.9	36.9	-31.2	0	0	0	107.9
649	P	30	Very low	24.4	Very low	112 Å²	112	145.1 Å²	145.1	73%	0.727	76%	0.757	S	S	*	*				-158.8	-169.9	60.1	36.2	-10.7	0	0	0	116.1
650	K	25.9	Very low	24.2	Very low	178 Å²	178	149 Å²	149	77%	0.774	77%	0.767	S	S	*	*			trans	99.1	94.5	156.9	-67.7	179.5	177.2	-178.6	0	116.9	N652	K650-N652 PolarHBondContact O-N 2.95Å; K650-N652 VanDerWaalsContact O-N 3.15Å
651	Q	22.9	Very low	24	Very low	162 Å²	162	145.6 Å²	145.6	76%	0.757	76%	0.761	S	S	*	*			trans	-30.4	107.6	139.3	-69.1	165.2	-31.5	0	0	111.4	Y653	Q651-Y653 HydrophobicContact CB-CD2 4.45Å; Q651-Y653 HydrophobicContact CB-CE2 4.33Å; Q651-Y653 PolarHBondContact O-N 3.47Å
652	N	25.9	Very low	23.8	Very low	151 Å²	151	147.6 Å²	147.6	81%	0.807	76%	0.76	S	S	*	*			trans	-82.5	99.7	159.8	-76.3	-23.4	0	0	0	107	K650 L654	K650-N652 PolarHBondContact O-N 2.95Å; K650-N652 VanDerWaalsContact O-N 3.15Å; N652-L654 PolarHBondContact O-N 3.05Å; N652-L654 VanDerWaalsContact O-N 3.09Å
653	Y	22.6	Very low	23.5	Very low	191 Å²	191	148.9 Å²	148.9	75%	0.749	77%	0.766	S	S	*	*			trans	-64.2	102.6	157.1	-75.7	-88.5	0	0	0	107.1	Q651 T655	Q651-Y653 HydrophobicContact CB-CD2 4.45Å; Q651-Y653 HydrophobicContact CB-CE2 4.33Å; Q651-Y653 PolarHBondContact O-N 3.47Å; Y653-T655 VanDerWaalsContact C-N 3.33Å; Y653-T655 PolarHBondContact O-N 3.35Å
654	L	21.5	Very low	23.3	Very low	148 Å²	148	148.7 Å²	148.7	78%	0.775	77%	0.77	S	S	*	*			trans	-84.4	85.2	168	-152.9	88.5	0	0	0	107.6	N652 V656	N652-L654 PolarHBondContact O-N 3.05Å; N652-L654 VanDerWaalsContact O-N 3.09Å; L654-V656 HydrophobicContact CD2-CG2 3.49Å; L654-V656 VanDerWaalsContact CD2-CG2 3.49Å; L654-V656 HydrophobicContact CG-CG2 3.89Å; L654-V656 PolarHBondContact O-N 3.23Å; L654-V656 VanDerWaalsContact O-N 3.14Å
655	T	19.1	Very low	23.2	Very low	115 Å²	115	144.9 Å²	144.9	71%	0.706	76%	0.761	S	S	*	*			trans	-73.4	97	165.3	-50.1	0	0	0	0	107.3	Y653 T657	Y653-T655 VanDerWaalsContact C-N 3.33Å; Y653-T655 PolarHBondContact O-N 3.35Å; T655-T657 PolarHBondContact O-N 3.44Å
656	V	19.9	Very low	22.6	Very low	98 Å²	98	144.6 Å²	144.6	59%	0.594	76%	0.76	S	S	*	*			trans	-88.9	90.3	169.1	-178	0	0	0	0	107.7	L654 T658	L654-V656 HydrophobicContact CD2-CG2 3.49Å; L654-V656 VanDerWaalsContact CD2-CG2 3.49Å; L654-V656 HydrophobicContact CG-CG2 3.89Å; L654-V656 PolarHBondContact O-N 3.23Å; L654-V656 VanDerWaalsContact O-N 3.14Å; V656-T658 HydrophobicContact CG1-CG2 3.84Å; V656-T658 PolarHBondContact O-N 3.03Å
657	T	18.5	Very low	22.6	Very low	119 Å²	119	145.3 Å²	145.3	73%	0.73	76%	0.758	S	S	*	*			trans	-75	107.9	156.8	26.8	0	0	0	0	108.3	T655	T655-T657 PolarHBondContact O-N 3.44Å
658	T	22.7	Very low	22.3	Very low	122 Å²	122	142.1 Å²	142.1	75%	0.748	75%	0.749	S	S	*	*			trans	-116.3	88.1	159.4	48.3	0	0	0	0	108.2	V656	V656-T658 HydrophobicContact CG1-CG2 3.84Å; V656-T658 PolarHBondContact O-N 3.03Å
659	T	18.7	Very low	21.7	Very low	129 Å²	129	145 Å²	145	79%	0.791	75%	0.753	S	S	*	*			trans	-68.4	117.7	145.3	33.4	0	0	0	0	107.1
660	E	20.8	Very low	21.2	Very low	191 Å²	191	146 Å²	146	89%	0.893	76%	0.757	S	S	*	*			trans	-164.5	135.9	144.2	-107.7	161.2	-147.4	0	0	110.7
661	S	18	Very low	21	Very low	86 Å²	86	144.1 Å²	144.1	60%	0.601	75%	0.754	S	S	*	*			trans	-72.2	-171.9	-178.1	42.3	0	0	0	0	113.1
662	Y	21.5	Very low	20.9	Very low	206 Å²	206	143 Å²	143	81%	0.808	75%	0.754	S	S	*	*			trans	88.8	134.7	171.4	-56.9	-77.8	0	0	0	113.8
663	E	18.9	Very low	20.8	Very low	157 Å²	157	143 Å²	143	73%	0.734	75%	0.753	S	S	*	*			cis	-171.1	114.7	-0.3	178.3	171.4	-149.7	0	0	103.1	V665	E663-V665 PolarHBondContact O-N 3.4Å
664	V	22.2	Very low	20.7	Very low	153 Å²	153	139.4 Å²	139.4	93%	0.927	75%	0.751	S	S	*	*			trans	-87.5	99.1	173.6	-179.6	0	0	0	0	106.8	E666	V664-E666 PolarHBondContact O-N 3Å
665	V	21.2	Very low	20.7	Very low	94 Å²	94	138.5 Å²	138.5	57%	0.57	75%	0.751	S	S	*	*			trans	-59	119.3	173.2	174.5	0	0	0	0	109.2	E663 H667	E663-V665 PolarHBondContact O-N 3.4Å; V665-H667 PolarHBondContact O-N 3.42Å
666	E	18.4	Very low	20.8	Very low	171 Å²	171	137.8 Å²	137.8	80%	0.799	75%	0.747	S	S	*	*			trans	-63.3	114.1	163.9	-113.2	-179.8	166	0	0	109	V664	V664-E666 PolarHBondContact O-N 3Å
667	H	23	Very low	20.8	Very low	175 Å²	175	140.8 Å²	140.8	81%	0.81	76%	0.76	S	S	*	*			trans	-109	99	157.1	-91.5	-47.2	0	0	0	108.9	V665	V665-H667 PolarHBondContact O-N 3.42Å
668	T	19.5	Very low	20.9	Very low	115 Å²	115	139.7 Å²	139.7	71%	0.706	76%	0.757	S	S	*	*			trans	-80.6	109.8	162	35.2	0	0	0	0	108.9
669	E	23.9	Very low	20.7	Very low	171 Å²	171	144.8 Å²	144.8	80%	0.799	76%	0.762	S	S	*	*			trans	-131.1	96.4	155.5	-78.3	-168	167.9	0	0	109.1
670	T	19.6	Very low	20.7	Very low	134 Å²	134	143 Å²	143	82%	0.822	76%	0.761	S	S	*	*			trans	-64.9	117.1	157.4	37	0	0	0	0	109.6
671	I	23.4	Very low	20.7	Very low	138 Å²	138	142.4 Å²	142.4	71%	0.708	76%	0.763	S	S	*	*			trans	-128.4	97.4	156.5	-59.8	-179.4	0	0	0	107.6
672	D	19.7	Very low	20.8	Very low	140 Å²	140	146.9 Å²	146.9	75%	0.749	77%	0.774	S	S	*	*			trans	-59.5	132.1	158.2	-74.4	-49.2	0	0	0	109.7
673	N	24.5	Very low	21.5	Very low	149 Å²	149	142 Å²	142	80%	0.797	77%	0.768	S	S	*	*			trans	-147.4	93.8	148.6	-93.3	-31.6	0	0	0	109.5
674	V	19.6	Very low	21.7	Very low	117 Å²	117	142.6 Å²	142.6	71%	0.709	78%	0.776	S	S	*	*			trans	-67.1	124.9	157.2	175.8	0	0	0	0	108.2	T676	V674-T676 HydrophobicContact CG1-CG2 3.98Å
675	V	22	Very low	21.7	Very low	128 Å²	128	139.1 Å²	139.1	78%	0.776	76%	0.759	S	S	*	*			trans	-129.4	79.2	158.7	-179.1	0	0	0	0	105.8
676	T	20.7	Very low	21.8	Very low	100 Å²	100	141.8 Å²	141.8	61%	0.613	76%	0.764	S	S	*	*				45.3	116.2	102.5	60.9	0	0	0	0	116.5	V674	V674-T676 HydrophobicContact CG1-CG2 3.98Å
677	D	19.9	Very low	22	Very low	162 Å²	162	141.3 Å²	141.3	87%	0.866	76%	0.76	S	S	*	*			trans	-38.3	141.9	160.5	-62	-55.6	0	0	0	114.1
678	S	21.3	Very low	22	Very low	95 Å²	95	139.1 Å²	139.1	66%	0.664	75%	0.754	S	S	*	*			trans	-150	99.2	165	-78.6	0	0	0	0	112.6
679	W	18.7	Very low	22.1	Very low	229 Å²	229	140.8 Å²	140.8	87%	0.867	76%	0.758	S	S	*	*			trans	58.6	101.1	141.4	-50.1	86.8	0	0	0	117.4
680	A	18.7	Very low	22	Very low	92 Å²	92	139.4 Å²	139.4	76%	0.76	76%	0.756	S	S	*	*				46.5	96	78.3	0	0	0	0	0	113.5
681	L	20.1	Very low	22.2	Very low	179 Å²	179	141.7 Å²	141.7	94%	0.937	76%	0.755	S	S	*	*			trans	-114.5	113.3	148.2	-123.7	99.7	0	0	0	108.6
682	Q	20.5	Very low	22.3	Very low	179 Å²	179	142.7 Å²	142.7	84%	0.836	76%	0.761	S	S	*	*			trans	-92.1	-179.2	168	-131	-161.2	-11.2	0	0	108.5
683	P	35.4	Very low	22.4	Very low	103 Å²	103	141.7 Å²	141.7	67%	0.669	76%	0.76	S	S	*	*				-107.2	155	-125.2	36.5	-20.7	0	0	0	113.9
684	D	23.6	Very low	22.4	Very low	170 Å²	170	141.1 Å²	141.1	91%	0.909	76%	0.757	S	S	*	*			trans	-101.2	116.7	159.2	-89.2	-36.8	0	0	0	111.5
685	S	21.8	Very low	22.6	Very low	81 Å²	81	141.9 Å²	141.9	57%	0.566	76%	0.757	S	S	*	*			trans	-62	148.3	162.9	52.4	0	0	0	0	113.3
686	H	24.2	Very low	22.6	Very low	149 Å²	149	147.4 Å²	147.4	69%	0.69	77%	0.765	S	S	*	*				155.3	107.2	129.1	-87.9	-54.2	0	0	0	109.2
687	K	21.7	Very low	22.7	Very low	162 Å²	162	154 Å²	154	70%	0.704	78%	0.779	S	S	*	*				95	123.6	90.4	-96.7	-172	-179.4	-176.5	0	112.6
688	D	23.4	Very low	23	Very low	128 Å²	128	153.5 Å²	153.5	68%	0.684	78%	0.777	S	S	*	*			trans	99.5	114.6	135.3	-67.9	-18.5	0	0	0	120.8
689	L	21.8	Very low	23.2	Very low	150 Å²	150	158.1 Å²	158.1	79%	0.785	79%	0.785	S	S	*	*			trans	87.9	96.5	136	-91.8	88	0	0	0	121
690	D	21.6	Very low	23.5	Very low	142 Å²	142	155 Å²	155	76%	0.759	79%	0.785	S	S	*	*				44.9	126.6	110.2	-95.9	-4.6	0	0	0	121.7
691	K	23.4	Very low	23.9	Very low	183 Å²	183	157.6 Å²	157.6	80%	0.796	79%	0.785	S	S	*	*			trans	85.8	97.7	146.7	-66	177.7	-179.1	177.5	0	121
692	N	24.8	Very low	24.1	Very low	159 Å²	159	154.5 Å²	154.5	85%	0.85	77%	0.773	S	S	*	*			trans	169.9	113.2	132.6	-95.5	-19.5	0	0	0	106.4
693	V	23	Very low	24.2	Very low	118 Å²	118	151.8 Å²	151.8	72%	0.715	77%	0.774	S	S	*	*				52.8	98.4	50.1	-170.7	0	0	0	0	114.5
694	N	24.3	Very low	23.6	Very low	137 Å²	137	152.3 Å²	152.3	73%	0.733	78%	0.775	S	S	*	*			trans	95.3	121.9	148.9	-68	-12.1	0	0	0	121.8
695	N	23.8	Very low	23.5	Very low	133 Å²	133	153.8 Å²	153.8	71%	0.711	77%	0.774	S	S	*	*			trans	79.7	98.8	140.6	-69.1	-13.5	0	0	0	119.7
696	Y	22.9	Very low	23.6	Very low	244 Å²	244	158.1 Å²	158.1	96%	0.957	79%	0.79	S	S	*	*				-146.6	100.6	128.4	-88.5	-76.7	0	0	0	110.7
697	R	21.6	Very low	23.3	Very low	239 Å²	239	154.2 Å²	154.2	90%	0.902	79%	0.789	S	S	*	*			trans	-144.4	99.1	155.3	-158.2	-179.3	-160.7	179.4	5.3	108.1
698	N	25.8	Very low	23.3	Very low	152 Å²	152	153.6 Å²	153.6	81%	0.813	80%	0.799	S	S	*	*			trans	168.2	105.6	143.5	-88.7	-6.3	0	0	0	109.9
699	K	26.7	Very low	23.2	Very low	191 Å²	191	158.8 Å²	158.8	83%	0.83	81%	0.809	S	S	*	*			trans	-122.8	102.7	153.1	-81.6	-173.8	176.6	179.7	0	107.2	I701	K699-I701 HydrophobicContact CB-CG1 4.4Å; K699-I701 PolarHBondContact O-N 3.38Å
700	N	25.1	Very low	23.2	Very low	165 Å²	165	160.7 Å²	160.7	88%	0.882	81%	0.814	S	S	*	*			trans	-62	109.8	152.6	-83.2	-16.2	0	0	0	106.6
701	I	25.6	Very low	23.2	Very low	146 Å²	146	160.4 Å²	160.4	75%	0.749	82%	0.817	S	S	*	*			trans	-96.1	109	165.4	-62.5	176.9	0	0	0	106.2	K699 S703	K699-I701 HydrophobicContact CB-CG1 4.4Å; K699-I701 PolarHBondContact O-N 3.38Å; I701-S703 PolarHBondContact O-N 3.45Å
702	T	24.7	Very low	23.1	Very low	113 Å²	113	160.7 Å²	160.7	69%	0.693	81%	0.813	S	S	*	*			trans	-40.7	116.3	164.2	41.8	0	0	0	0	111.4	T704	T702-T704 PolarHBondContact O-N 3.35Å; T702-T704 PolarHBondContact O-OG1 3.42Å
703	S	22.9	Very low	23	Very low	123 Å²	123	164.8 Å²	164.8	86%	0.86	82%	0.816	S	S	*	*			trans	-57.7	110.3	164.8	174.8	0	0	0	0	108.4	I701	I701-S703 PolarHBondContact O-N 3.45Å
704	T	22.8	Very low	22.9	Very low	113 Å²	113	165.5 Å²	165.5	69%	0.693	81%	0.812	S	S	*	*			trans	-88.1	117.6	176.9	-49.9	0	0	0	0	107.4	T702 L706	T702-T704 PolarHBondContact O-N 3.35Å; T702-T704 PolarHBondContact O-OG1 3.42Å; T704-L706 PolarHBondContact O-N 2.81Å; T704-L706 VanDerWaalsContact O-N 3.11Å
705	K	22.6	Very low	22.9	Very low	202 Å²	202	168 Å²	168	88%	0.878	82%	0.817	S	S	*	*			trans	-48.2	106.5	173	-159.1	176.1	-171.5	176.7	0	110.6
706	L	22.6	Very low	22.9	Very low	172 Å²	172	167.2 Å²	167.2	90%	0.901	81%	0.812	S	S	*	*			trans	-109.3	100.3	164.3	-89.3	161.8	0	0	0	107.9	T704	T704-L706 PolarHBondContact O-N 2.81Å; T704-L706 VanDerWaalsContact O-N 3.11Å
707	G	18.4	Very low	22.9	Very low	66 Å²	66	163 Å²	163	68%	0.68	80%	0.801	S	S	*	*			trans	-81.7	141	172.1	0	0	0	0	0	111.3
708	V	21.3	Very low	23.1	Very low	150 Å²	150	157.6 Å²	157.6	91%	0.909	79%	0.79	S	S	*	*			trans	-133.7	120.4	148.2	179.9	0	0	0	0	107.8
709	R	20.9	Very low	23	Very low	236 Å²	236	157.1 Å²	157.1	89%	0.891	79%	0.788	S	S	*	*			trans	-35.1	127.7	177.5	-83.1	165.5	160.7	158.9	-5.7	115.8
710	E	22.6	Very low	23	Very low	191 Å²	191	156.8 Å²	156.8	89%	0.893	79%	0.794	S	S	*	*			trans	-61.5	127.5	146.1	-99.6	174.9	155.7	0	0	110.3	R712	E710-R712 PolarHBondContact O-N 3.35Å
711	V	22.2	Very low	22.8	Very low	135 Å²	135	156.8 Å²	156.8	82%	0.818	79%	0.789	S	S	*	*			trans	-82	95.8	167.6	175.2	0	0	0	0	107.4	R713	V711-R713 PolarHBondContact O-N 2.97Å
712	R	20.3	Very low	22.7	Very low	189 Å²	189	156.2 Å²	156.2	71%	0.713	79%	0.786	S	S	*	*			trans	-49.9	123.6	162.6	-94.2	174.9	159.3	102.8	-6.3	110	E710 E714	E710-R712 PolarHBondContact O-N 3.35Å; R712-E714 HydrophobicContact CG-CG 4.28Å; R712-E714 IonicContact CZ-OE1 2.65Å; R712-E714 IonicContact NE-OE1 3.09Å; R712-E714 PolarHBondContact NE-OE1 3.35Å; R712-E714 IonicContact NE-OE2 2.76Å; R712-E714 IonicContact NH2-OE1 2.66Å; R712-E714 PolarHBondContact NH2-OE1 2.91Å
713	R	22.3	Very low	22.6	Very low	245 Å²	245	157.2 Å²	157.2	93%	0.925	79%	0.791	S	S	*	*			trans	-104.7	87.5	142.2	-77.4	-173.2	-174.6	155.7	2.6	106.7	V711	V711-R713 PolarHBondContact O-N 2.97Å
714	E	21.9	Very low	22.6	Very low	134 Å²	134	154.7 Å²	154.7	63%	0.626	79%	0.785	S	S	*	*			trans	-76.4	125	160.4	-85.5	169.7	168.5	0	0	108.2	R712	R712-E714 HydrophobicContact CG-CG 4.28Å; R712-E714 IonicContact CZ-OE1 2.65Å; R712-E714 IonicContact NE-OE1 3.09Å; R712-E714 PolarHBondContact NE-OE1 3.35Å; R712-E714 IonicContact NE-OE2 2.76Å; R712-E714 IonicContact NH2-OE1 2.66Å; R712-E714 PolarHBondContact NH2-OE1 2.91Å
715	K	23.5	Very low	22.6	Very low	190 Å²	190	157.4 Å²	157.4	83%	0.826	79%	0.79	S	S	*	*			trans	-176.8	132.7	150	-95.5	-173.6	179.5	-175.5	0	104.4
716	D	23.7	Very low	22.8	Very low	115 Å²	115	155.9 Å²	155.9	62%	0.615	79%	0.786	S	S	*	*			cis	-179	138.3	-12	-110.1	-17.3	0	0	0	102.2
717	H	24.1	Very low	22.9	Very low	156 Å²	156	157.1 Å²	157.1	72%	0.722	79%	0.786	S	S	*	*			trans	62.1	131.2	146.5	-68.4	-58.2	0	0	0	119
718	D	25.6	Very low	23.2	Very low	125 Å²	125	165.9 Å²	165.9	67%	0.668	80%	0.799	S	S	*	*			cis	-167.3	146.8	26.3	-93	-35.6	0	0	0	111.2
719	N	22.9	Very low	23.3	Very low	143 Å²	143	166.1 Å²	166.1	77%	0.765	80%	0.795	S	S	*	*			trans	29	117.3	141	-61.5	-40.1	0	0	0	121.1
720	L	27.4	Very low	23.5	Very low	184 Å²	184	163.6 Å²	163.6	96%	0.963	80%	0.798	S	S	*	*				-144.4	138.8	128.9	-137.1	89.4	0	0	0	111.3
721	Q	20.5	Very low	23.6	Very low	165 Å²	165	163.5 Å²	163.5	77%	0.771	80%	0.798	S	S	*	*			trans	-117.7	161.8	-166.8	-146	-176.8	28.2	0	0	107.6
722	I	23.5	Very low	23.5	Very low	134 Å²	134	167.2 Å²	167.2	69%	0.687	80%	0.803	S	S	*	*			trans	106.3	104	147.7	-62.9	159	0	0	0	119.6
723	T	22.5	Very low	23.7	Very low	133 Å²	133	168.2 Å²	168.2	82%	0.816	81%	0.812	S	S	*	*			trans	67.5	127.9	132.2	65.2	0	0	0	0	124.6
724	G	22.3	Very low	23.6	Very low	70 Å²	70	161.6 Å²	161.6	72%	0.722	80%	0.804	S	S	*	*				124	115.9	104.2	0	0	0	0	0	120.3
725	Q	22.7	Very low	23.7	Very low	171 Å²	171	162.5 Å²	162.5	80%	0.799	81%	0.812	S	S	*	*			trans	74.5	107.4	143.9	-65.4	-178.1	-28	0	0	121.9
726	H	28.1	Very low	23.7	Very low	170 Å²	170	162 Å²	162	79%	0.787	81%	0.813	S	S	*	*				157.3	96.9	111	-86.3	-63	0	0	0	112.4
727	H	24.8	Very low	23.5	Very low	197 Å²	197	163.4 Å²	163.4	91%	0.912	83%	0.825	S	S	*	*			trans	-109.3	120.1	164.8	-76.2	-61.7	0	0	0	110
728	R	24.1	Very low	23.5	Very low	250 Å²	250	160.8 Å²	160.8	94%	0.943	83%	0.831	S	S	*	*			trans	-96.2	125.2	172.2	-92.2	-177.7	172.6	173.7	-0.9	110.1
729	N	23	Very low	23.2	Very low	155 Å²	155	163.7 Å²	163.7	83%	0.829	84%	0.84	S	S	*	*			trans	-67.3	143.3	169.6	-72	-44.8	0	0	0	112.3
730	L	25.3	Very low	23.2	Very low	184 Å²	184	163 Å²	163	96%	0.963	84%	0.842	S	S	*	*			trans	-126.5	120.5	157	-88.9	164.2	0	0	0	108.8
731	E	24.3	Very low	22.9	Very low	189 Å²	189	162.8 Å²	162.8	88%	0.883	84%	0.835	S	S	*	*			trans	-80	154.4	-166.7	-72.7	173.9	133.8	0	0	115.3
732	K	21.3	Very low	23	Very low	212 Å²	212	164 Å²	164	92%	0.922	84%	0.84	S	S	*	*			trans	-60.9	134.2	168.1	-68.8	169.6	176.1	174.6	0	112.1
733	K	25	Very low	23.2	Very low	211 Å²	211	163.1 Å²	163.1	92%	0.917	84%	0.844	S	S	*	*			trans	-112.6	113.2	156.9	-90.3	-176.8	176.5	176.6	0	110.5
734	S	20	Very low	23.3	Very low	106 Å²	106	162.3 Å²	162.3	74%	0.741	84%	0.841	S	S	*	*			trans	-85.9	141.5	162.4	60.7	0	0	0	0	110.7
735	L	23.1	Very low	23.4	Very low	152 Å²	152	168 Å²	168	80%	0.796	85%	0.846	S	S	*	*			trans	-170.2	98.4	153.8	-98.3	140.9	0	0	0	106.1
736	Q	23.3	Very low	23.5	Very low	180 Å²	180	167.9 Å²	167.9	84%	0.841	85%	0.851	S	S	*	*				87.7	122.5	91.8	-88.5	-171.6	-6.4	0	0	114.5
737	T	20.5	Very low	23.4	Very low	144 Å²	144	166.9 Å²	166.9	88%	0.883	85%	0.851	S	S	*	*			trans	-75.4	137.1	-177.4	-2.8	0	0	0	0	111.9
738	A	23.6	Very low	23.6	Very low	102 Å²	102	161.5 Å²	161.5	84%	0.843	84%	0.836	S	S	*	*			trans	-120.3	119.4	162.5	0	0	0	0	0	109.4
739	Q	18.9	Very low	23.8	Very low	185 Å²	185	155.1 Å²	155.1	86%	0.864	83%	0.829	S	S	*	*			trans	-73.2	151.9	167.2	-69.5	176.1	-30	0	0	110.1
740	V	22.7	Very low	24.2	Very low	130 Å²	130	153.4 Å²	153.4	79%	0.788	82%	0.819	S	S	*	*				172.1	117.6	127.9	158.4	0	0	0	0	110.9
741	H	22.6	Very low	24.7	Very low	179 Å²	179	150.3 Å²	150.3	83%	0.829	81%	0.813	S	S	*	*			trans	40.2	115.9	150.9	-74.1	-62.8	0	0	0	123.9
742	E	20.9	Very low	25.3	Very low	189 Å²	189	145.8 Å²	145.8	88%	0.883	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-93.1	139.8	161.1	-71.2	-179.2	143.7	0	0	113.2
743	P	28.9	Very low	26.2	Very low	117 Å²	117	142.9 Å²	142.9	76%	0.76	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-98.9	173.2	153.2	35.2	-23.2	0	0	0	111.2
744	P	24	Very low	27.1	Very low	116 Å²	116	140.3 Å²	140.3	75%	0.753	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-93.3	138.6	-135.6	34.3	-35.2	0	0	0	116.5
745	K	24.2	Very low	28.5	Very low	190 Å²	190	142.9 Å²	142.9	83%	0.826	78%	0.776	S	S	*	*			trans	19.1	106.3	134.2	-64.3	-178.8	179.3	-179.8	0	117
746	N	25.6	Very low	29.6	Very low	168 Å²	168	142 Å²	142	90%	0.898	77%	0.766	S	S	*	*			trans	-121.1	115.4	147.9	-96.5	-20.8	0	0	0	109.8
747	N	25.4	Very low	31.3	Very low	148 Å²	148	138.2 Å²	138.2	79%	0.791	75%	0.75	S	S	*	*			trans	-66.3	132.2	170.5	-63.7	-26.8	0	0	0	109.6
748	S	29.3	Very low	33.1	Very low	85 Å²	85	137 Å²	137	59%	0.594	74%	0.738	S	S	*	*			trans	-179.4	119.3	136.2	40.2	0	0	0	0	112.5	L750	S748-L750 PolarHBondContact O-N 3.44Å
749	S	29.2	Very low	35	Very low	116 Å²	116	136.1 Å²	136.1	81%	0.811	72%	0.722	S	S	*	*			trans	5.7	100.2	141.1	59.5	0	0	0	0	117
750	L	29.6	Very low	37.3	Very low	118 Å²	118	134 Å²	134	62%	0.618	71%	0.71	S	S	*	*			trans	-135.5	77.1	172	-94.3	140.6	0	0	0	109.6	S748 R753	S748-L750 PolarHBondContact O-N 3.44Å; L750-R753 HydrophobicContact CD2-CB 3.86Å; L750-R753 HydrophobicContact CD2-CG 4.38Å
751	S	35.7	Very low	39.3	Very low	119 Å²	119	130 Å²	130	83%	0.832	69%	0.691	S	S	*	*	S	Bend	trans	-139.3	-10.9	151.7	79.6	0	0	0	0	114.1
752	C	37.1	Very low	41.8	Very low	94 Å²	94	126 Å²	126	64%	0.635	68%	0.675	S	S	*	*	S	Bend	trans	-86.8	0.4	165.8	-92.6	0	0	0	0	114.8	F756	C752-F756 WeakPolarHBondContact O-CD2 3.42Å
753	R	41.6	Very low	44.2	Very low	151 Å²	151	120.1 Å²	120.1	57%	0.57	65%	0.652	S	S	*	*	H	α-helix	trans	-83.4	-23.7	-174.8	-103.1	-177.6	177.7	-170.4	1.5	115	L750 I757	L750-R753 HydrophobicContact CD2-CB 3.86Å; L750-R753 HydrophobicContact CD2-CG 4.38Å; R753-I757 HydrophobicContact CB-CD1 4.17Å; R753-I757 HydrophobicContact CG-CD1 4.49Å; R753-I757 WeakPolarHBondContact O-CB 3.33Å; R753-I757 WeakPolarHBondContact O-CD1 3.34Å; R753-I757 WeakPolarHBondContact O-CG1 3.12Å; R753-I757 PolarHBondContact O-N 2.7Å
754	H	43.2	Very low	46	Very low	158 Å²	158	121.5 Å²	121.5	73%	0.731	65%	0.646	S	S	*	*	H	α-helix	trans	-72.6	-36.2	-178.3	-76.1	5.2	0	0	0	113	L758	H754-L758 PolarHBondContact O-N 3.42Å
755	Q	48.2	Very low	48.1	Very low	160 Å²	160	121.9 Å²	121.9	75%	0.748	64%	0.641	S	S	*	*	H	α-helix	trans	-71.1	-41.4	174.1	-81.4	-179	-24.5	0	0	112.5	L758 T759	Q755-L758 PolarHBondContact O-N 3.44Å; Q755-T759 PolarHBondContact O-N 3.07Å; Q755-T759 VanDerWaalsContact O-N 3.13Å; Q755-T759 PolarHBondContact O-OG1 3.42Å
756	F	47.7	Very low	50.3	Low	133 Å²	133	117.2 Å²	117.2	58%	0.583	62%	0.624	S	S	*	*	H	α-helix	trans	-70	-35.8	179.2	-89.1	-81.3	0	0	0	113.8	C752 L758 T759 F760	C752-F756 WeakPolarHBondContact O-CD2 3.42Å; F756-L758 VanDerWaalsContact C-N 3.33Å; F756-T759 WeakPolarHBondContact CA-OG1 3.41Å; F756-T759 PolarHBondContact O-N 3.44Å; F756-T759 PolarHBondContact O-OG1 3.26Å; F756-F760 WeakPolarHBondContact O-CB 3.43Å; F756-F760 PolarHBondContact O-N 3.26Å
757	I	57.9	Low	51.8	Low	100 Å²	100	116.4 Å²	116.4	51%	0.513	61%	0.613	S	S	.	*	H	α-helix	trans	-66.4	-39	176.3	-69.1	165.4	0	0	0	110.3	R753 F760 A761	R753-I757 HydrophobicContact CB-CD1 4.17Å; R753-I757 HydrophobicContact CG-CD1 4.49Å; R753-I757 WeakPolarHBondContact O-CB 3.33Å; R753-I757 WeakPolarHBondContact O-CD1 3.34Å; R753-I757 WeakPolarHBondContact O-CG1 3.12Å; R753-I757 PolarHBondContact O-N 2.7Å; I757-F760 PolarHBondContact O-N 2.84Å; I757-A761 VanDerWaalsContact O-CB 3.25Å; I757-A761 WeakPolarHBondContact O-CB 3.4Å; I757-A761 PolarHBondContact O-N 2.84Å
758	L	58.2	Low	53.2	Low	119 Å²	119	118.6 Å²	118.6	62%	0.623	61%	0.611	S	S	*	*	H	α-helix	trans	-65.8	-42.8	177.3	-154.4	81.2	0	0	0	111.3	H754 Q755 F756 A761 I762	H754-L758 PolarHBondContact O-N 3.42Å; Q755-L758 PolarHBondContact O-N 3.44Å; F756-L758 VanDerWaalsContact C-N 3.33Å; L758-A761 PolarHBondContact O-N 3.13Å; L758-I762 HydrophobicContact CG-CD1 4.33Å; L758-I762 WeakPolarHBondContact O-CD1 3.24Å; L758-I762 VanDerWaalsContact O-CG1 3.24Å; L758-I762 WeakPolarHBondContact O-CG1 3.45Å; L758-I762 PolarHBondContact O-N 3.43Å; L758-I762 VanDerWaalsContact O-N 3.07Å
759	T	64.5	Low	54.6	Low	83 Å²	83	123.6 Å²	123.6	51%	0.509	62%	0.622	S	S	.	*	H	α-helix	trans	-66	-40.9	176.1	7.1	0	0	0	0	112.2	Q755 F756 T763	Q755-T759 PolarHBondContact O-N 3.07Å; Q755-T759 VanDerWaalsContact O-N 3.13Å; Q755-T759 PolarHBondContact O-OG1 3.42Å; F756-T759 WeakPolarHBondContact CA-OG1 3.41Å; F756-T759 PolarHBondContact O-N 3.44Å; F756-T759 PolarHBondContact O-OG1 3.26Å; T759-T763 PolarHBondContact O-N 3.01Å; T759-T763 PolarHBondContact O-OG1 2.69Å
760	F	65.9	Low	56.1	Low	140 Å²	140	122.6 Å²	122.6	61%	0.614	61%	0.606	S	S	*	*	H	α-helix	trans	-67.2	-39.5	175.7	-104	-82.5	0	0	0	112.5	F756 I757 T763 F764	F756-F760 WeakPolarHBondContact O-CB 3.43Å; F756-F760 PolarHBondContact O-N 3.26Å; I757-F760 PolarHBondContact O-N 2.84Å; F760-T763 VanDerWaalsContact CA-OG1 3.3Å; F760-T763 WeakPolarHBondContact CA-OG1 3.25Å; F760-T763 PolarHBondContact O-N 3.43Å; F760-T763 PolarHBondContact O-OG1 3.46Å; F760-F764 VanDerWaalsContact O-CB 3.25Å; F760-F764 WeakPolarHBondContact O-CB 3.3Å; F760-F764 PolarHBondContact O-N 3.15Å
761	A	65.7	Low	57	Low	48 Å²	48	131.1 Å²	131.1	40%	0.397	63%	0.63	S	S	.	*	H	α-helix	trans	-63.7	-42.9	177.5	0	0	0	0	0	111.4	I757 L758 F764 L765	I757-A761 VanDerWaalsContact O-CB 3.25Å; I757-A761 WeakPolarHBondContact O-CB 3.4Å; I757-A761 PolarHBondContact O-N 2.84Å; L758-A761 PolarHBondContact O-N 3.13Å; A761-F764 PolarHBondContact O-N 3.13Å; A761-L765 WeakPolarHBondContact O-CB 3.29Å; A761-L765 VanDerWaalsContact O-CG 3.29Å; A761-L765 WeakPolarHBondContact O-CG 3.25Å; A761-L765 PolarHBondContact O-N 3.49Å
762	I	74.5	Confident	58.1	Low	93 Å²	93	131.7 Å²	131.7	48%	0.477	62%	0.62	S	S	.	*	H	α-helix	trans	-65.3	-46.2	177.2	-66.6	166.3	0	0	0	110.6	L758 F764 L765 I766	L758-I762 HydrophobicContact CG-CD1 4.33Å; L758-I762 WeakPolarHBondContact O-CD1 3.24Å; L758-I762 VanDerWaalsContact O-CG1 3.24Å; L758-I762 WeakPolarHBondContact O-CG1 3.45Å; L758-I762 PolarHBondContact O-N 3.43Å; L758-I762 VanDerWaalsContact O-N 3.07Å; I762-F764 PolarHBondContact O-N 3.32Å; I762-L765 PolarHBondContact O-N 3.49Å; I762-I766 HydrophobicContact CG2-CD1 4Å; I762-I766 WeakPolarHBondContact O-CD1 3.4Å; I762-I766 VanDerWaalsContact O-CG1 3.27Å; I762-I766 WeakPolarHBondContact O-CG1 3.4Å; I762-I766 PolarHBondContact O-N 2.92Å; I762-I766 VanDerWaalsContact O-N 3.13Å
763	T	72.5	Confident	59.2	Low	67 Å²	67	133.7 Å²	133.7	41%	0.411	62%	0.619	S	S	.	*	H	α-helix	trans	-64.9	-39	177.2	35.9	0	0	0	0	112.5	T759 F760 I766 F767	T759-T763 PolarHBondContact O-N 3.01Å; T759-T763 PolarHBondContact O-OG1 2.69Å; F760-T763 VanDerWaalsContact CA-OG1 3.3Å; F760-T763 WeakPolarHBondContact CA-OG1 3.25Å; F760-T763 PolarHBondContact O-N 3.43Å; F760-T763 PolarHBondContact O-OG1 3.46Å; T763-I766 PolarHBondContact O-N 3.35Å; T763-F767 WeakPolarHBondContact O-CD2 3.37Å; T763-F767 PolarHBondContact O-N 2.97Å
764	F	65.5	Low	60.2	Low	145 Å²	145	132.7 Å²	132.7	64%	0.636	62%	0.622	S	S	*	*	H	α-helix	trans	-69	-37.4	178.6	-151.6	-87.3	0	0	0	112.5	F760 A761 I762 I766 F767 R768	F760-F764 VanDerWaalsContact O-CB 3.25Å; F760-F764 WeakPolarHBondContact O-CB 3.3Å; F760-F764 PolarHBondContact O-N 3.15Å; A761-F764 PolarHBondContact O-N 3.13Å; I762-F764 PolarHBondContact O-N 3.32Å; F764-I766 VanDerWaalsContact C-N 3.31Å; F764-I766 PolarHBondContact O-N 2.99Å; F764-F767 PolarHBondContact O-N 3.23Å; F764-R768 WeakPolarHBondContact O-CB 3.47Å; F764-R768 PolarHBondContact O-N 3.44Å
765	L	67.8	Low	61.2	Low	124 Å²	124	131.2 Å²	131.2	65%	0.649	62%	0.616	S	S	*	*	H	α-helix	trans	-64.3	-36.6	173.9	-77.3	168.3	0	0	0	112	A761 I762 K769	A761-L765 WeakPolarHBondContact O-CB 3.29Å; A761-L765 VanDerWaalsContact O-CG 3.29Å; A761-L765 WeakPolarHBondContact O-CG 3.25Å; A761-L765 PolarHBondContact O-N 3.49Å; I762-L765 PolarHBondContact O-N 3.49Å; L765-K769 PolarHBondContact O-N 3.47Å
766	I	70.5	Confident	62	Low	92 Å²	92	129.4 Å²	129.4	47%	0.472	61%	0.607	S	S	.	*	H	α-helix	trans	-67.2	-45.8	174.4	-66.4	165.3	0	0	0	110.4	I762 T763 F764 R768 K769 I770	I762-I766 HydrophobicContact CG2-CD1 4Å; I762-I766 WeakPolarHBondContact O-CD1 3.4Å; I762-I766 VanDerWaalsContact O-CG1 3.27Å; I762-I766 WeakPolarHBondContact O-CG1 3.4Å; I762-I766 PolarHBondContact O-N 2.92Å; I762-I766 VanDerWaalsContact O-N 3.13Å; T763-I766 PolarHBondContact O-N 3.35Å; F764-I766 VanDerWaalsContact C-N 3.31Å; F764-I766 PolarHBondContact O-N 2.99Å; I766-R768 PolarHBondContact O-N 3.28Å; I766-K769 PolarHBondContact O-N 3.2Å; I766-I770 HydrophobicContact CG2-CD1 3.83Å; I766-I770 WeakPolarHBondContact O-CG1 3.27Å; I766-I770 PolarHBondContact O-N 3.35Å
767	F	57.6	Low	62.9	Low	152 Å²	152	129.2 Å²	129.2	67%	0.667	61%	0.609	S	S	*	*	H	α-helix	trans	-64.6	-38.7	178.7	-93.8	-79.2	0	0	0	113.1	T763 F764 K769 I770 W771	T763-F767 WeakPolarHBondContact O-CD2 3.37Å; T763-F767 PolarHBondContact O-N 2.97Å; F764-F767 PolarHBondContact O-N 3.23Å; F767-K769 PolarHBondContact O-N 3.25Å; F767-I770 PolarHBondContact O-N 3.34Å; F767-W771 PolarHBondContact O-N 3.39Å
768	R	54.7	Low	63.3	Low	194 Å²	194	131.3 Å²	131.3	73%	0.732	62%	0.616	S	S	*	*	H	α-helix	trans	-70.1	-19.6	178.8	-166.4	179.3	168.4	-177.1	-2.8	113.5	F764 I766	F764-R768 WeakPolarHBondContact O-CB 3.47Å; F764-R768 PolarHBondContact O-N 3.44Å; I766-R768 PolarHBondContact O-N 3.28Å
769	K	58.9	Low	63.7	Low	190 Å²	190	132.2 Å²	132.2	83%	0.826	62%	0.615	S	S	*	*	H	α-helix	trans	-88.6	-15.8	176.5	-148.2	-179.7	-177.3	-176.2	0	112.7	L765 I766 F767	L765-K769 PolarHBondContact O-N 3.47Å; I766-K769 PolarHBondContact O-N 3.2Å; F767-K769 PolarHBondContact O-N 3.25Å
770	I	61.3	Low	63.6	Low	94 Å²	94	136.3 Å²	136.3	48%	0.482	62%	0.624	S	S	.	*	H	α-helix	trans	-96.2	-26	-178.7	-67	169.7	0	0	0	111.7	Y2 I766 F767	Y2-I770 HydrophobicContact CE1-CD1 4.29Å; I766-I770 HydrophobicContact CG2-CD1 3.83Å; I766-I770 WeakPolarHBondContact O-CG1 3.27Å; I766-I770 PolarHBondContact O-N 3.35Å; F767-I770 PolarHBondContact O-N 3.34Å
771	W	48.3	Very low	63.4	Low	297 Å²	297	136 Å²	136	100%	1.125	63%	0.625	S	S	*	*			trans	-90.3	0	169.3	-147	56.8	0	0	0	110.2	F767	F767-W771 PolarHBondContact O-N 3.39Å

Retrieved 771 of 771 residues in 1045.5 ms (Link to these results)

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