A0A3Q0KS08_SCHMA Loading...

Protein kinase domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KS08, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 436 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	48.1	Very low	62.6	Low	207 Å²	207	139.8 Å²	139.8	100%	1.02	65%	0.645	S	S	*	*				0	-42.4	0	-103.6	-177.1	92	0	0	113.5	I3 I4	M1-I3 PolarHBondContact O-N 3.39Å; M1-I4 PolarHBondContact O-N 3Å
2	M	49.5	Very low	63.8	Low	164 Å²	164	137 Å²	137	81%	0.808	64%	0.637	S	S	*	*	H	α-helix	trans	-62.6	-32.1	-173.6	-156.7	164.8	160.5	0	0	115.4	I4	M2-I4 VanDerWaalsContact C-N 3.34Å; M2-I4 PolarHBondContact O-N 3.32Å
3	I	54.5	Low	64.7	Low	151 Å²	151	136.5 Å²	136.5	77%	0.774	63%	0.632	S	S	*	*	H	α-helix	trans	-70	-30.4	177.9	-61.3	167.5	0	0	0	112.1	M1 Y7	M1-I3 PolarHBondContact O-N 3.39Å; I3-Y7 PolarHBondContact O-N 2.97Å
4	I	55.5	Low	65.7	Low	107 Å²	107	130.6 Å²	130.6	55%	0.549	61%	0.608	S	S	.	*	H	α-helix	trans	-73.3	-38.3	-178.6	-62.7	168	0	0	0	110	M1 M2 N6 Y7 Y8	M1-I4 PolarHBondContact O-N 3Å; M2-I4 VanDerWaalsContact C-N 3.34Å; M2-I4 PolarHBondContact O-N 3.32Å; I4-N6 PolarHBondContact O-N 3.29Å; I4-Y7 PolarHBondContact O-N 3.46Å; I4-Y8 HydrophobicContact CG2-CD2 3.77Å; I4-Y8 HydrophobicContact CG2-CE2 3.73Å; I4-Y8 WeakPolarHBondContact O-CD2 3.44Å; I4-Y8 PolarHBondContact O-N 2.89Å
5	W	56.8	Low	66.5	Low	178 Å²	178	130.7 Å²	130.7	67%	0.674	61%	0.606	S	S	*	*	H	α-helix	trans	-63.8	-41.9	179.4	-166.5	-89.8	0	0	0	112.8	Y7 Y8 N9	W5-Y7 VanDerWaalsContact C-N 3.34Å; W5-Y7 PolarHBondContact O-N 2.97Å; W5-Y8 PolarHBondContact O-N 3.23Å; W5-N9 PolarHBondContact NE1-ND2 3.35Å; W5-N9 VanDerWaalsContact NE1-ND2 3.14Å; W5-N9 PolarHBondContact O-N 3.42Å; W5-N9 VanDerWaalsContact O-N 3.1Å
6	N	63.6	Low	67.3	Low	110 Å²	110	128.1 Å²	128.1	59%	0.588	60%	0.596	S	S	*	*	H	α-helix	trans	-66.2	-34.7	177.8	-84.7	-10.7	0	0	0	113.1	I4 Y10	I4-N6 PolarHBondContact O-N 3.29Å; N6-Y10 WeakPolarHBondContact O-CB 3.39Å; N6-Y10 PolarHBondContact O-N 2.92Å; N6-Y10 VanDerWaalsContact O-N 3.09Å
7	Y	69.5	Low	67.6	Low	163 Å²	163	127.2 Å²	127.2	64%	0.639	59%	0.59	S	S	*	*	H	α-helix	trans	-69.8	-42.3	178.8	-168.4	-95.6	0	0	0	112	I3 I4 W5 Y10 T11	I3-Y7 PolarHBondContact O-N 2.97Å; I4-Y7 PolarHBondContact O-N 3.46Å; W5-Y7 VanDerWaalsContact C-N 3.34Å; W5-Y7 PolarHBondContact O-N 2.97Å; Y7-Y10 PolarHBondContact O-N 3.4Å; Y7-T11 HydrophobicContact CD1-CG2 4.34Å; Y7-T11 HydrophobicContact CE1-CG2 3.91Å; Y7-T11 PolarHBondContact O-N 2.92Å; Y7-T11 PolarHBondContact O-OG1 3.05Å
8	Y	68.3	Low	68	Low	161 Å²	161	125.1 Å²	125.1	63%	0.631	58%	0.583	S	S	*	*	H	α-helix	trans	-66.2	-40	176.8	-86.1	-79.1	0	0	0	112.9	I4 W5 T11 L12	I4-Y8 HydrophobicContact CG2-CD2 3.77Å; I4-Y8 HydrophobicContact CG2-CE2 3.73Å; I4-Y8 WeakPolarHBondContact O-CD2 3.44Å; I4-Y8 PolarHBondContact O-N 2.89Å; W5-Y8 PolarHBondContact O-N 3.23Å; Y8-T11 PolarHBondContact O-OG1 3.04Å; Y8-T11 VanDerWaalsContact O-OG1 3.12Å; Y8-L12 VanDerWaalsContact O-CB 3.23Å; Y8-L12 WeakPolarHBondContact O-CB 3.41Å; Y8-L12 PolarHBondContact O-N 3.47Å
9	N	71.4	Confident	68.3	Low	84 Å²	84	123.3 Å²	123.3	45%	0.449	58%	0.578	S	S	.	*	H	α-helix	trans	-66.6	-38.3	175.9	-79.5	-13.7	0	0	0	112.1	W5 F13	W5-N9 PolarHBondContact NE1-ND2 3.35Å; W5-N9 VanDerWaalsContact NE1-ND2 3.14Å; W5-N9 PolarHBondContact O-N 3.42Å; W5-N9 VanDerWaalsContact O-N 3.1Å; N9-F13 WeakPolarHBondContact O-CB 3.36Å; N9-F13 PolarHBondContact O-N 3.01Å
10	Y	75.3	Confident	68.3	Low	157 Å²	157	123.4 Å²	123.4	62%	0.616	58%	0.576	S	S	*	*	H	α-helix	trans	-68.7	-41.6	179	-170.1	-101.1	0	0	0	112.5	N6 Y7 N14	N6-Y10 WeakPolarHBondContact O-CB 3.39Å; N6-Y10 PolarHBondContact O-N 2.92Å; N6-Y10 VanDerWaalsContact O-N 3.09Å; Y7-Y10 PolarHBondContact O-N 3.4Å; Y10-N14 VanDerWaalsContact CD1-ND2 3.26Å; Y10-N14 WeakPolarHBondContact CD1-ND2 3.49Å; Y10-N14 WeakPolarHBondContact CE1-ND2 3.33Å; Y10-N14 VanDerWaalsContact CZ-ND2 3.33Å; Y10-N14 WeakPolarHBondContact O-CB 3.48Å; Y10-N14 PolarHBondContact O-N 2.95Å; Y10-N14 PolarHBondContact O-ND2 2.03Å
11	T	76.7	Confident	68.1	Low	56 Å²	56	122.2 Å²	122.2	34%	0.344	57%	0.573	S	S	.	*	H	α-helix	trans	-68.8	-40	176.5	46.2	0	0	0	0	112.2	Y7 Y8 N14 F15	Y7-T11 HydrophobicContact CD1-CG2 4.34Å; Y7-T11 HydrophobicContact CE1-CG2 3.91Å; Y7-T11 PolarHBondContact O-N 2.92Å; Y7-T11 PolarHBondContact O-OG1 3.05Å; Y8-T11 PolarHBondContact O-OG1 3.04Å; Y8-T11 VanDerWaalsContact O-OG1 3.12Å; T11-N14 PolarHBondContact O-N 3.09Å; T11-F15 WeakPolarHBondContact O-CB 3.49Å; T11-F15 PolarHBondContact O-N 3.13Å
12	L	76.2	Confident	68.7	Low	106 Å²	106	117.6 Å²	117.6	56%	0.555	55%	0.551	S	S	*	*	H	α-helix	trans	-67.8	-40.7	177.9	-162.8	142.1	0	0	0	111.4	Y8 F15 I16	Y8-L12 VanDerWaalsContact O-CB 3.23Å; Y8-L12 WeakPolarHBondContact O-CB 3.41Å; Y8-L12 PolarHBondContact O-N 3.47Å; L12-F15 PolarHBondContact O-N 3.31Å; L12-I16 HydrophobicContact CD2-CD1 3.55Å; L12-I16 HydrophobicContact CD2-CG1 4.33Å; L12-I16 WeakPolarHBondContact O-CG1 3.42Å; L12-I16 PolarHBondContact O-N 2.55Å
13	F	76.1	Confident	69.2	Low	131 Å²	131	115.7 Å²	115.7	58%	0.575	54%	0.543	S	S	*	.	H	α-helix	trans	-62	-44.4	172.9	-173.8	-95.5	0	0	0	112	N9 F15 I16 F17	N9-F13 WeakPolarHBondContact O-CB 3.36Å; N9-F13 PolarHBondContact O-N 3.01Å; F13-F15 VanDerWaalsContact C-N 3.33Å; F13-F15 PolarHBondContact O-N 2.98Å; F13-I16 PolarHBondContact O-N 2.79Å; F13-F17 WeakPolarHBondContact O-CB 3.38Å; F13-F17 PolarHBondContact O-N 2.99Å
14	N	78.5	Confident	69.1	Low	54 Å²	54	115 Å²	115	29%	0.289	54%	0.536	S	S	.	.	H	α-helix	trans	-64.1	-37.2	175.1	-82.4	-66	0	0	0	112.5	Y10 T11 F17 I18	Y10-N14 VanDerWaalsContact CD1-ND2 3.26Å; Y10-N14 WeakPolarHBondContact CD1-ND2 3.49Å; Y10-N14 WeakPolarHBondContact CE1-ND2 3.33Å; Y10-N14 VanDerWaalsContact CZ-ND2 3.33Å; Y10-N14 WeakPolarHBondContact O-CB 3.48Å; Y10-N14 PolarHBondContact O-N 2.95Å; Y10-N14 PolarHBondContact O-ND2 2.03Å; T11-N14 PolarHBondContact O-N 3.09Å; N14-F17 PolarHBondContact O-N 3.35Å; N14-I18 WeakPolarHBondContact O-CB 3.39Å; N14-I18 WeakPolarHBondContact O-CG1 3.08Å; N14-I18 PolarHBondContact O-N 3.2Å
15	F	77.6	Confident	68.7	Low	131 Å²	131	117.5 Å²	117.5	58%	0.575	54%	0.543	S	S	*	.	H	α-helix	trans	-67.9	-41.2	177.4	-146.1	-83.3	0	0	0	111.3	T11 L12 F13 F17 I18 L19	T11-F15 WeakPolarHBondContact O-CB 3.49Å; T11-F15 PolarHBondContact O-N 3.13Å; L12-F15 PolarHBondContact O-N 3.31Å; F13-F15 VanDerWaalsContact C-N 3.33Å; F13-F15 PolarHBondContact O-N 2.98Å; F15-F17 VanDerWaalsContact C-N 3.34Å; F15-I18 PolarHBondContact O-N 3.2Å; F15-L19 VanDerWaalsContact O-CB 3.27Å; F15-L19 WeakPolarHBondContact O-CB 3.04Å; F15-L19 PolarHBondContact O-N 3.04Å
16	I	78.5	Confident	68.5	Low	89 Å²	89	110.8 Å²	110.8	46%	0.456	52%	0.523	S	S	.	.	H	α-helix	trans	-62.8	-42.3	172.3	-67.9	171.7	0	0	0	110.3	L12 F13 L19 F20	L12-I16 HydrophobicContact CD2-CD1 3.55Å; L12-I16 HydrophobicContact CD2-CG1 4.33Å; L12-I16 WeakPolarHBondContact O-CG1 3.42Å; L12-I16 PolarHBondContact O-N 2.55Å; F13-I16 PolarHBondContact O-N 2.79Å; I16-L19 PolarHBondContact O-N 3.41Å; I16-F20 WeakPolarHBondContact O-CB 3.32Å; I16-F20 PolarHBondContact O-N 3.19Å
17	F	73.3	Confident	68.1	Low	113 Å²	113	110.6 Å²	110.6	50%	0.496	52%	0.522	S	S	.	.	H	α-helix	trans	-67.1	-41.7	179.7	-162.4	-103.4	0	0	0	112.1	F13 N14 F15 F20 I21	F13-F17 WeakPolarHBondContact O-CB 3.38Å; F13-F17 PolarHBondContact O-N 2.99Å; N14-F17 PolarHBondContact O-N 3.35Å; F15-F17 VanDerWaalsContact C-N 3.34Å; F17-F20 CarbonylContact O-C 3.51Å; F17-F20 WeakPolarHBondContact O-CB 3.21Å; F17-F20 PolarHBondContact O-N 2.82Å; F17-I21 HydrophobicContact CD1-CD1 3.54Å; F17-I21 HydrophobicContact CD1-CG1 4.27Å; F17-I21 HydrophobicContact CE1-CD1 3.5Å; F17-I21 HydrophobicContact CE1-CG1 4.23Å; F17-I21 HydrophobicContact CZ-CD1 4.46Å; F17-I21 VanDerWaalsContact O-CG1 3.28Å; F17-I21 WeakPolarHBondContact O-CG1 3.45Å; F17-I21 PolarHBondContact O-N 3.01Å
18	I	75.3	Confident	67.7	Low	90 Å²	90	108 Å²	108	46%	0.462	52%	0.515	S	S	.	.	H	α-helix	trans	-64.5	-42.2	173	-69.8	165	0	0	0	110.3	N14 F15 F20 I21 I22	N14-I18 WeakPolarHBondContact O-CB 3.39Å; N14-I18 WeakPolarHBondContact O-CG1 3.08Å; N14-I18 PolarHBondContact O-N 3.2Å; F15-I18 PolarHBondContact O-N 3.2Å; I18-F20 VanDerWaalsContact C-N 3.31Å; I18-F20 PolarHBondContact O-N 3.43Å; I18-I21 PolarHBondContact O-N 3.42Å; I18-I22 HydrophobicContact CG2-CD1 3.67Å; I18-I22 HydrophobicContact CG2-CG1 4.3Å; I18-I22 WeakPolarHBondContact O-CB 3.41Å; I18-I22 VanDerWaalsContact O-CG1 3.23Å; I18-I22 WeakPolarHBondContact O-CG1 3.27Å; I18-I22 PolarHBondContact O-N 3.36Å
19	L	72.3	Confident	68	Low	91 Å²	91	104.5 Å²	104.5	48%	0.476	51%	0.505	S	S	.	.	H	α-helix	trans	-61.8	-42	174.3	-166.5	79.4	0	0	0	110.6	F15 I16 I22 I23	F15-L19 VanDerWaalsContact O-CB 3.27Å; F15-L19 WeakPolarHBondContact O-CB 3.04Å; F15-L19 PolarHBondContact O-N 3.04Å; I16-L19 PolarHBondContact O-N 3.41Å; L19-I22 PolarHBondContact O-N 2.96Å; L19-I23 HydrophobicContact CD2-CD1 4.13Å; L19-I23 HydrophobicContact CG-CD1 3.82Å; L19-I23 HydrophobicContact CG-CG1 4.46Å; L19-I23 WeakPolarHBondContact O-CB 3.28Å; L19-I23 WeakPolarHBondContact O-CD1 3.02Å; L19-I23 WeakPolarHBondContact O-CG1 3.12Å; L19-I23 PolarHBondContact O-N 2.82Å
20	F	68.5	Low	68.4	Low	125 Å²	125	108 Å²	108	55%	0.548	52%	0.516	S	S	.	.	H	α-helix	trans	-60.9	-45.6	174.4	-125.9	-91.5	0	0	0	110.8	I16 F17 I18 I22 I23 H24	I16-F20 WeakPolarHBondContact O-CB 3.32Å; I16-F20 PolarHBondContact O-N 3.19Å; F17-F20 CarbonylContact O-C 3.51Å; F17-F20 WeakPolarHBondContact O-CB 3.21Å; F17-F20 PolarHBondContact O-N 2.82Å; I18-F20 VanDerWaalsContact C-N 3.31Å; I18-F20 PolarHBondContact O-N 3.43Å; F20-I22 PolarHBondContact O-N 3.01Å; F20-I23 PolarHBondContact O-N 3.2Å; F20-H24 AromaticContact CD1-CD2 3.76Å; F20-H24 AromaticContact CE1-CD2 3.88Å; F20-H24 VanDerWaalsContact O-CB 3.24Å; F20-H24 WeakPolarHBondContact O-CB 3.11Å; F20-H24 PolarHBondContact O-N 3.03Å
21	I	64.5	Low	69.1	Low	98 Å²	98	100.9 Å²	100.9	50%	0.503	49%	0.489	S	S	.	.	H	α-helix	trans	-63.1	-39.9	176.3	-70.1	167.5	0	0	0	111.6	F17 I18 H24 K25	F17-I21 HydrophobicContact CD1-CD1 3.54Å; F17-I21 HydrophobicContact CD1-CG1 4.27Å; F17-I21 HydrophobicContact CE1-CD1 3.5Å; F17-I21 HydrophobicContact CE1-CG1 4.23Å; F17-I21 HydrophobicContact CZ-CD1 4.46Å; F17-I21 VanDerWaalsContact O-CG1 3.28Å; F17-I21 WeakPolarHBondContact O-CG1 3.45Å; F17-I21 PolarHBondContact O-N 3.01Å; I18-I21 PolarHBondContact O-N 3.42Å; I21-H24 CarbonylContact O-C 3.54Å; I21-H24 PolarHBondContact O-N 3Å; I21-K25 PolarHBondContact O-N 3.46Å
22	I	60.8	Low	69.8	Low	111 Å²	111	99.7 Å²	99.7	57%	0.569	48%	0.479	S	S	*	.	H	α-helix	trans	-69.7	-40	178.3	-68.1	167.5	0	0	0	110.7	I18 L19 F20 K25	I18-I22 HydrophobicContact CG2-CD1 3.67Å; I18-I22 HydrophobicContact CG2-CG1 4.3Å; I18-I22 WeakPolarHBondContact O-CB 3.41Å; I18-I22 VanDerWaalsContact O-CG1 3.23Å; I18-I22 WeakPolarHBondContact O-CG1 3.27Å; I18-I22 PolarHBondContact O-N 3.36Å; L19-I22 PolarHBondContact O-N 2.96Å; F20-I22 PolarHBondContact O-N 3.01Å; I22-K25 WeakPolarHBondContact O-CB 3.41Å; I22-K25 PolarHBondContact O-N 3.16Å
23	I	60.6	Low	70.6	Confident	123 Å²	123	94.7 Å²	94.7	63%	0.631	45%	0.453	S	S	*	.	H	α-helix	trans	-69.6	-37.3	175.1	-65.6	165.3	0	0	0	110.6	L19 F20 K25	L19-I23 HydrophobicContact CD2-CD1 4.13Å; L19-I23 HydrophobicContact CG-CD1 3.82Å; L19-I23 HydrophobicContact CG-CG1 4.46Å; L19-I23 WeakPolarHBondContact O-CB 3.28Å; L19-I23 WeakPolarHBondContact O-CD1 3.02Å; L19-I23 WeakPolarHBondContact O-CG1 3.12Å; L19-I23 PolarHBondContact O-N 2.82Å; F20-I23 PolarHBondContact O-N 3.2Å; I23-K25 PolarHBondContact O-N 2.91Å
24	H	51.8	Low	71.4	Confident	136 Å²	136	88.5 Å²	88.5	63%	0.63	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	7.7	174	-105.8	-70.7	0	0	0	113.7	F20 I21 S26	F20-H24 AromaticContact CD1-CD2 3.76Å; F20-H24 AromaticContact CE1-CD2 3.88Å; F20-H24 VanDerWaalsContact O-CB 3.24Å; F20-H24 WeakPolarHBondContact O-CB 3.11Å; F20-H24 PolarHBondContact O-N 3.03Å; I21-H24 CarbonylContact O-C 3.54Å; I21-H24 PolarHBondContact O-N 3Å; H24-S26 PolarHBondContact O-N 2.75Å
25	K	47.7	Very low	71.9	Confident	161 Å²	161	85.9 Å²	85.9	70%	0.7	41%	0.412	S	S	*	.	S	Bend	trans	-59.9	98.3	168	-172.5	178.8	-179.1	-177.5	0	106.1	I21 I22 I23 N27	I21-K25 PolarHBondContact O-N 3.46Å; I22-K25 WeakPolarHBondContact O-CB 3.41Å; I22-K25 PolarHBondContact O-N 3.16Å; I23-K25 PolarHBondContact O-N 2.91Å; K25-N27 PolarHBondContact O-N 2.88Å
26	S	51.8	Low	72.4	Confident	37 Å²	37	82.2 Å²	82.2	26%	0.259	40%	0.398	S	S	.	.			trans	-41.5	115.8	177.1	170.8	0	0	0	0	107.8	H24 H28 V75	H24-S26 PolarHBondContact O-N 2.75Å; S26-H28 PolarHBondContact O-N 2.77Å; S26-V75 VanDerWaalsContact OG-CG1 3.3Å; S26-V75 WeakPolarHBondContact OG-CG1 3.1Å
27	N	56.3	Low	72.4	Confident	106 Å²	106	80.3 Å²	80.3	57%	0.567	39%	0.393	S	S	*	.			trans	-69.5	92.4	174	-77	-19	0	0	0	105.3	K25 E29	K25-N27 PolarHBondContact O-N 2.88Å; N27-E29 HydrophobicContact CB-CG 4.27Å; N27-E29 PolarHBondContact O-N 2.91Å
28	H	59.4	Low	72.2	Confident	107 Å²	107	77.5 Å²	77.5	50%	0.495	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	87.9	164.1	-71.9	-44.5	0	0	0	107.1	S26	S26-H28 PolarHBondContact O-N 2.77Å
29	E	75.5	Confident	71.3	Confident	88 Å²	88	77.7 Å²	77.7	41%	0.411	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	142.6	169.9	-69.9	178.1	-175	0	0	108.3	N27 R74	N27-E29 HydrophobicContact CB-CG 4.27Å; N27-E29 PolarHBondContact O-N 2.91Å; E29-R74 HydrophobicContact CB-CB 4.34Å; E29-R74 WeakPolarHBondContact O-CB 3.34Å; E29-R74 PolarHBondContact O-N 2.87Å; E29-R74 IonicContact OE2-CZ 2.7Å; E29-R74 IonicContact OE2-NE 3.67Å; E29-R74 IonicContact OE2-NH1 3.51Å; E29-R74 PolarHBondContact OE2-NH1 3.19Å
30	K	80.2	Confident	70.3	Confident	159 Å²	159	78.2 Å²	78.2	69%	0.691	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	137.4	171.9	-67.7	-172.6	176.3	-172.8	0	108.4	F32	K30-F32 HydrophobicContact CB-CE1 4.39Å; K30-F32 HydrophobicContact CB-CE2 4.21Å; K30-F32 HydrophobicContact CB-CZ 3.89Å
31	C	89.4	Confident	68.8	Low	6 Å²	6	78 Å²	78	4%	0.041	40%	0.398	C	S	.	.			trans	-107.5	160.8	157.2	53.1	0	0	0	0	108.1	L59 C72 Q73 L103	C31-L59 HydrophobicContact CB-CD2 4.35Å; C31-C72 HydrophobicContact CB-CB 4.08Å; C31-C72 WeakPolarHBondContact CB-SG 3.39Å; C31-C72 WeakPolarHBondContact O-CB 3.4Å; C31-C72 VanDerWaalsContact SG-CA 3.58Å; C31-C72 WeakPolarHBondContact SG-CB 3.4Å; C31-C72 CovalentContact SG-SG 2.03Å; C31-C72 PolarHBondContact SG-SG 3.02Å; C31-Q73 PolarHBondContact SG-N 2.88Å; C31-L103 HydrophobicContact CB-CD2 4.29Å
32	F	91.2	Very high	67.8	Low	32 Å²	32	76 Å²	76	14%	0.14	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	129.6	-173.7	-55.5	-89.2	0	0	0	108.4	K30 Y34 C57 S58 Q61	K30-F32 HydrophobicContact CB-CE1 4.39Å; K30-F32 HydrophobicContact CB-CE2 4.21Å; K30-F32 HydrophobicContact CB-CZ 3.89Å; F32-Y34 HydrophobicContact CB-CE1 4.14Å; F32-Y34 HydrophobicContact CB-CE2 3.94Å; F32-Y34 VanDerWaalsContact CB-OH 3.23Å; F32-Y34 WeakPolarHBondContact CB-OH 3.29Å; F32-C57 CarbonylContact O-C 3.57Å; F32-C57 WeakPolarHBondContact O-CA 3.36Å; F32-S58 PolarHBondContact N-O 2.82Å; F32-S58 PolarHBondContact O-N 2.9Å; F32-Q61 HydrophobicContact CD1-CG 4.48Å; F32-Q61 HydrophobicContact CD2-CB 4.29Å; F32-Q61 HydrophobicContact CE1-CB 4.27Å; F32-Q61 HydrophobicContact CE1-CG 4.3Å; F32-Q61 HydrophobicContact CE2-CB 3.97Å; F32-Q61 HydrophobicContact CZ-CB 3.95Å; F32-Q61 HydrophobicContact CZ-CG 4.47Å
33	C	93.2	Very high	67	Low	0 Å²	0	80.9 Å²	80.9	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	119.2	176.3	-78.5	0	0	0	0	108.6	L54 H56 C57 E69 L70 C72	C33-L54 HydrophobicContact CB-CD1 4Å; C33-H56 WeakPolarHBondContact CA-O 2.98Å; C33-C57 HydrophobicContact CB-CB 4.2Å; C33-C57 WeakPolarHBondContact CB-SG 3.29Å; C33-C57 WeakPolarHBondContact SG-CB 3.28Å; C33-C57 CovalentContact SG-SG 2.05Å; C33-C57 PolarHBondContact SG-SG 3.35Å; C33-E69 CarbonylContact O-C 3.45Å; C33-E69 WeakPolarHBondContact O-CA 3.44Å; C33-L70 HydrophobicContact CB-CB 3.8Å; C33-L70 HydrophobicContact CB-CD2 4.22Å; C33-L70 HydrophobicContact CB-CG 4.34Å; C33-L70 PolarHBondContact O-N 2.77Å; C33-C72 HydrophobicContact CB-CB 4.35Å
34	Y	92.5	Very high	66.3	Low	1 Å²	1	83.5 Å²	83.5	0%	0.004	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	131.2	-169.5	-54.5	-74.6	0	0	0	111.7	F32 I55 H56 Q61 L62 Y64 H66 E69	F32-Y34 HydrophobicContact CB-CE1 4.14Å; F32-Y34 HydrophobicContact CB-CE2 3.94Å; F32-Y34 VanDerWaalsContact CB-OH 3.23Å; F32-Y34 WeakPolarHBondContact CB-OH 3.29Å; Y34-I55 PolarHBondContact O-N 2.84Å; Y34-H56 WeakPolarHBondContact CD2-O 3.33Å; Y34-H56 PolarHBondContact N-O 2.92Å; Y34-Q61 WeakPolarHBondContact OH-CA 3.18Å; Y34-L62 HydrophobicContact CE2-CB 4.31Å; Y34-L62 PolarHBondContact OH-N 2.94Å; Y34-Y64 HydrophobicContact CD2-CD2 4.07Å; Y34-Y64 HydrophobicContact CE2-CD2 4.17Å; Y34-H66 HydrophobicContact CD1-CB 4.26Å; Y34-H66 AromaticContact CD1-CD2 3.73Å; Y34-H66 AromaticContact CD1-CE1 3.57Å; Y34-H66 AromaticContact CD1-CG 3.58Å; Y34-H66 AromaticContact CD1-ND1 3.49Å; Y34-H66 WeakPolarHBondContact CD1-ND1 3.5Å; Y34-H66 AromaticContact CD1-NE2 3.74Å; Y34-H66 AromaticContact CE1-CE1 3.74Å; Y34-H66 AromaticContact CE1-ND1 4Å; Y34-H66 HydrophobicContact CG-CB 4.4Å; Y34-E69 HydrophobicContact CD1-CG 4.08Å; Y34-E69 HydrophobicContact CE1-CG 4.31Å
35	L	90	Very high	65.8	Low	0 Å²	0	81.1 Å²	81.1	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	135.8	-179.5	-70.1	165	0	0	0	111.4	K52 Q53 L54 S67 E68 L70 Y84 L93	L35-K52 HydrophobicContact CD2-CB 4.49Å; L35-Q53 CarbonylContact C-O 3.49Å; L35-Q53 WeakPolarHBondContact CA-O 3.3Å; L35-L54 HydrophobicContact CD2-CB 3.97Å; L35-L54 HydrophobicContact CD2-CD1 4.16Å; L35-S67 PolarHBondContact O-N 2.03Å; L35-S67 PolarHBondContact O-OG 2.9Å; L35-E68 HydrophobicContact CB-CB 4.19Å; L35-E68 PolarHBondContact N-O 3.26Å; L35-E68 PolarHBondContact O-N 3.28Å; L35-E68 VanDerWaalsContact O-N 3.12Å; L35-L70 HydrophobicContact CD1-CB 3.78Å; L35-L70 HydrophobicContact CD1-CD1 4.46Å; L35-L70 HydrophobicContact CG-CB 4.17Å; L35-Y84 HydrophobicContact CD1-CD2 4.09Å; L35-Y84 HydrophobicContact CD1-CE2 3.51Å; L35-L93 HydrophobicContact CD2-CD1 3.63Å
36	N	87.7	Confident	65.8	Low	54 Å²	54	80.3 Å²	80.3	29%	0.289	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	136.3	164.7	-93.5	-9.9	0	0	0	111.2	K52 Q53 I55 N65 H66 S67	N36-K52 CarbonylContact O-C 3.57Å; N36-K52 WeakPolarHBondContact O-CA 3.36Å; N36-Q53 PolarHBondContact N-O 2.88Å; N36-Q53 PolarHBondContact O-N 2.93Å; N36-I55 HydrophobicContact CB-CD1 3.8Å; N36-I55 HydrophobicContact CB-CG1 4.05Å; N36-I55 VanDerWaalsContact ND2-CD1 3.28Å; N36-I55 WeakPolarHBondContact ND2-CD1 3.19Å; N36-N65 PolarHBondContact OD1-O 3.33Å; N36-H66 VanDerWaalsContact OD1-CA 3.31Å; N36-H66 WeakPolarHBondContact OD1-CA 3.41Å; N36-S67 WeakPolarHBondContact CA-OG 3.49Å; N36-S67 PolarHBondContact OD1-N 3.05Å
37	S	77.6	Confident	65.7	Low	48 Å²	48	84.2 Å²	84.2	34%	0.336	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	113.8	175.8	-53.9	0	0	0	0	108.9	K52 S67	S37-K52 WeakPolarHBondContact OG-CD 3.19Å; S37-K52 WeakPolarHBondContact OG-CE 3.43Å; S37-K52 PolarHBondContact OG-NZ 3.41Å; S37-S67 PolarHBondContact N-OG 2.94Å; S37-S67 PolarHBondContact OG-OG 3.21Å
38	T	70.8	Confident	65.4	Low	55 Å²	55	83.5 Å²	83.5	34%	0.337	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	106.3	168.6	52.6	0	0	0	0	107.9	N40 V51	T38-N40 VanDerWaalsContact C-N 3.33Å; T38-N40 PolarHBondContact O-N 2.89Å; T38-N40 VanDerWaalsContact O-N 3.15Å; T38-V51 PolarHBondContact N-O 2.84Å; T38-V51 PolarHBondContact O-N 3.07Å; T38-V51 PolarHBondContact OG1-O 3.46Å
39	T	56	Low	65.6	Low	94 Å²	94	81.1 Å²	81.1	58%	0.577	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	91.6	162.5	52.9	0	0	0	0	106.9	L41	T39-L41 PolarHBondContact O-N 3.35Å
40	N	49.9	Very low	65.6	Low	101 Å²	101	79 Å²	79	54%	0.54	42%	0.416	S	S	.	.			trans	-66.9	105.8	161	-74.9	-13.6	0	0	0	105.6	T38 P42	T38-N40 VanDerWaalsContact C-N 3.33Å; T38-N40 PolarHBondContact O-N 2.89Å; T38-N40 VanDerWaalsContact O-N 3.15Å; N40-P42 WeakPolarHBondContact O-CD 2.92Å
41	L	38.4	Very low	65.7	Low	122 Å²	122	73 Å²	73	64%	0.639	39%	0.392	S	S	*	.			trans	-79.7	96.4	154.6	-92.6	90.1	0	0	0	105.9	T39 Y43	T39-L41 PolarHBondContact O-N 3.35Å; L41-Y43 PolarHBondContact O-N 3.17Å; L41-Y43 VanDerWaalsContact O-N 3.14Å
42	P	43.7	Very low	65.6	Low	54 Å²	54	73.8 Å²	73.8	35%	0.351	40%	0.395	S	S	.	.			trans	-60.9	120.2	158.8	26.4	-31.1	0	0	0	106.4	N40 H44 T45	N40-P42 WeakPolarHBondContact O-CD 2.92Å; P42-H44 PolarHBondContact O-N 3.45Å; P42-T45 WeakPolarHBondContact CG-OG1 3.2Å; P42-T45 PolarHBondContact O-N 3.12Å
43	Y	44.4	Very low	65.5	Low	214 Å²	214	75.1 Å²	75.1	84%	0.839	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	1.6	-174.3	-136.3	-94	0	0	0	114.2	L41	L41-Y43 PolarHBondContact O-N 3.17Å; L41-Y43 VanDerWaalsContact O-N 3.14Å
44	H	44.1	Very low	65.5	Low	178 Å²	178	75.1 Å²	75.1	82%	0.824	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-149.7	20.3	-178.5	-89.3	-63.9	0	0	0	117.3	P42	P42-H44 PolarHBondContact O-N 3.45Å
45	T	42.6	Very low	65.3	Low	86 Å²	86	76.5 Å²	76.5	53%	0.528	41%	0.408	S	S	.	.			trans	-131.9	133.2	170.4	52.5	0	0	0	0	112.4	P42 N47	P42-T45 WeakPolarHBondContact CG-OG1 3.2Å; P42-T45 PolarHBondContact O-N 3.12Å; T45-N47 PolarHBondContact O-N 3.24Å; T45-N47 VanDerWaalsContact O-N 3.07Å
46	T	46.5	Very low	65.4	Low	145 Å²	145	76.9 Å²	76.9	89%	0.89	41%	0.41	S	S	*	.	S	Bend	trans	-68.5	0.1	-179.4	47	0	0	0	0	114.3	N48	T46-N48 PolarHBondContact O-N 2.86Å
47	N	51.1	Low	65.7	Low	118 Å²	118	74.3 Å²	74.3	63%	0.631	40%	0.397	S	S	*	.			trans	-96.6	85.1	175.4	-73.3	1.3	0	0	0	108.8	T45 T49	T45-N47 PolarHBondContact O-N 3.24Å; T45-N47 VanDerWaalsContact O-N 3.07Å; N47-T49 VanDerWaalsContact C-N 3.3Å; N47-T49 PolarHBondContact O-N 2.87Å
48	N	50.2	Low	66.3	Low	92 Å²	92	72.1 Å²	72.1	49%	0.492	38%	0.381	S	S	.	.			trans	-62.6	94.7	164.4	-79.6	-4.2	0	0	0	108.2	T46 N50	T46-N48 PolarHBondContact O-N 2.86Å; N48-N50 PolarHBondContact O-N 3.49Å
49	T	63.3	Low	67.2	Low	56 Å²	56	71 Å²	71	34%	0.344	37%	0.373	S	S	.	.			trans	-82.6	104	168.5	54.2	0	0	0	0	107.7	N47 V51	N47-T49 VanDerWaalsContact C-N 3.3Å; N47-T49 PolarHBondContact O-N 2.87Å; T49-V51 PolarHBondContact O-N 2.99Å
50	N	75	Confident	68.5	Low	45 Å²	45	69.8 Å²	69.8	24%	0.241	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	107.9	172.5	-77.4	-13.7	0	0	0	107.8	N48 D88 I91 N92	N48-N50 PolarHBondContact O-N 3.49Å; N50-D88 PolarHBondContact ND2-OD2 2.86Å; N50-I91 HydrophobicContact CB-CG1 3.94Å; N50-I91 WeakPolarHBondContact O-CA 2.89Å; N50-N92 PolarHBondContact O-N 3.17Å
51	V	82.3	Confident	70.1	Confident	31 Å²	31	71.8 Å²	71.8	19%	0.188	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	120.8	176.5	-176.3	0	0	0	0	108.6	T38 T49 N92	T38-V51 PolarHBondContact N-O 2.84Å; T38-V51 PolarHBondContact O-N 3.07Å; T38-V51 PolarHBondContact OG1-O 3.46Å; T49-V51 PolarHBondContact O-N 2.99Å; V51-N92 WeakPolarHBondContact CA-O 3.49Å
52	K	87.4	Confident	71.8	Confident	24 Å²	24	68.2 Å²	68.2	10%	0.104	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	126.8	170.7	-63.9	-76.6	-176.6	166.5	0	107.4	L35 N36 S37 E68 Y84 I91 N92 L93 S94	L35-K52 HydrophobicContact CD2-CB 4.49Å; N36-K52 CarbonylContact O-C 3.57Å; N36-K52 WeakPolarHBondContact O-CA 3.36Å; S37-K52 WeakPolarHBondContact OG-CD 3.19Å; S37-K52 WeakPolarHBondContact OG-CE 3.43Å; S37-K52 PolarHBondContact OG-NZ 3.41Å; K52-E68 IonicContact NZ-OE1 2.71Å; K52-E68 PolarHBondContact NZ-OE1 3.47Å; K52-E68 IonicContact NZ-OE2 2.79Å; K52-E68 PolarHBondContact NZ-OE2 3.42Å; K52-Y84 WeakPolarHBondContact CE-OH 3.3Å; K52-Y84 WeakPolarHBondContact CG-OH 3.43Å; K52-I91 HydrophobicContact CB-CG2 4.22Å; K52-I91 HydrophobicContact CG-CD1 4.37Å; K52-I91 HydrophobicContact CG-CG2 3.63Å; K52-N92 PolarHBondContact N-O 2.71Å; K52-L93 HydrophobicContact CB-CD1 4.24Å; K52-L93 CarbonylContact O-C 3.57Å; K52-L93 VanDerWaalsContact O-CA 3.31Å; K52-L93 WeakPolarHBondContact O-CA 3.31Å; K52-S94 PolarHBondContact O-N 3.46Å
53	Q	89.6	Confident	73.2	Confident	60 Å²	60	72 Å²	72	28%	0.28	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	113.8	-178.9	-171.8	175.2	15.3	0	0	109.5	L35 N36 I55 S94 N96	L35-Q53 CarbonylContact C-O 3.49Å; L35-Q53 WeakPolarHBondContact CA-O 3.3Å; N36-Q53 PolarHBondContact N-O 2.88Å; N36-Q53 PolarHBondContact O-N 2.93Å; Q53-I55 PolarHBondContact O-N 2.86Å; Q53-S94 CarbonylContact C-O 3.59Å; Q53-S94 VanDerWaalsContact CA-O 3.24Å; Q53-S94 WeakPolarHBondContact CA-O 3.1Å; Q53-N96 WeakPolarHBondContact CG-OD1 3.37Å; Q53-N96 PolarHBondContact NE2-OD1 3.28Å
54	L	91.6	Very high	74.4	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	106.3	168.7	-179.9	64	0	0	0	108.2	C33 L35 L70 L93 S94 I95 N96 F100	C33-L54 HydrophobicContact CB-CD1 4Å; L35-L54 HydrophobicContact CD2-CB 3.97Å; L35-L54 HydrophobicContact CD2-CD1 4.16Å; L54-L70 HydrophobicContact CD1-CD2 4.11Å; L54-L93 HydrophobicContact CB-CD1 4.25Å; L54-S94 PolarHBondContact N-O 3.5Å; L54-I95 HydrophobicContact CB-CG1 4.28Å; L54-I95 HydrophobicContact CD2-CG1 4.24Å; L54-I95 HydrophobicContact CD2-CG2 4.2Å; L54-N96 WeakPolarHBondContact O-CB 3.32Å; L54-N96 PolarHBondContact O-N 3.13Å; L54-F100 HydrophobicContact CD2-CE1 3.71Å; L54-F100 HydrophobicContact CD2-CZ 3.76Å
55	I	89.8	Confident	76	Confident	29 Å²	29	65.3 Å²	65.3	15%	0.149	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	-52.8	-173.9	-49.1	169.2	0	0	0	109.3	Y34 N36 Q53 H66	Y34-I55 PolarHBondContact O-N 2.84Å; N36-I55 HydrophobicContact CB-CD1 3.8Å; N36-I55 HydrophobicContact CB-CG1 4.05Å; N36-I55 VanDerWaalsContact ND2-CD1 3.28Å; N36-I55 WeakPolarHBondContact ND2-CD1 3.19Å; Q53-I55 PolarHBondContact O-N 2.86Å; I55-H66 HydrophobicContact CD1-CB 4.3Å
56	H	90.9	Very high	77.9	Confident	9 Å²	9	64.3 Å²	64.3	4%	0.042	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	146	-166.3	-169.6	63.1	0	0	0	111.7	C33 Y34 Y64 A99 N102	C33-H56 WeakPolarHBondContact CA-O 2.98Å; Y34-H56 WeakPolarHBondContact CD2-O 3.33Å; Y34-H56 PolarHBondContact N-O 2.92Å; H56-Y64 HydrophobicContact CB-CE2 4.35Å; H56-Y64 AromaticContact CD2-CE2 3.75Å; H56-A99 CarbonylContact C-O 3.46Å; H56-N102 VanDerWaalsContact CE1-CB 3.46Å; H56-N102 WeakPolarHBondContact CE1-CB 3.42Å; H56-N102 PolarHBondContact CE1-ND2 2.86Å; H56-N102 WeakPolarHBondContact NE2-CB 3.38Å; H56-N102 PolarHBondContact NE2-ND2 2.79Å
57	C	93.6	Very high	79.7	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	136	170.1	-66	0	0	0	0	111.1	F32 C33 A99 F100 L103	F32-C57 CarbonylContact O-C 3.57Å; F32-C57 WeakPolarHBondContact O-CA 3.36Å; C33-C57 HydrophobicContact CB-CB 4.2Å; C33-C57 WeakPolarHBondContact CB-SG 3.29Å; C33-C57 WeakPolarHBondContact SG-CB 3.28Å; C33-C57 CovalentContact SG-SG 2.05Å; C33-C57 PolarHBondContact SG-SG 3.35Å; C57-A99 PolarHBondContact N-O 2.97Å; C57-F100 HydrophobicContact CB-CD1 4.21Å; C57-L103 HydrophobicContact CB-CD1 3.74Å; C57-L103 HydrophobicContact CB-CD2 4.04Å; C57-L103 HydrophobicContact CB-CG 3.89Å
58	S	91.8	Very high	81.4	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.007	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	155.3	-176.8	57.3	0	0	0	0	112.7	F32 T60 L62	F32-S58 PolarHBondContact N-O 2.82Å; F32-S58 PolarHBondContact O-N 2.9Å; S58-T60 WeakPolarHBondContact CB-O 3.29Å; S58-T60 PolarHBondContact OG-O 3.34Å; S58-L62 WeakPolarHBondContact OG-CD1 3.39Å
59	L	88.3	Confident	83.1	Confident	33 Å²	33	58.8 Å²	58.8	17%	0.173	31%	0.312	C	S	.	.	S	Bend	trans	-78.6	-23.5	172.1	-67	175.4	0	0	0	112.5	C31 I79 L103 V109	C31-L59 HydrophobicContact CB-CD2 4.35Å; L59-I79 HydrophobicContact CD2-CD1 3.89Å; L59-L103 HydrophobicContact CD2-CD2 4.27Å; L59-L103 HydrophobicContact CG-CD2 4.36Å; L59-V109 HydrophobicContact CD2-CG2 4.48Å
60	T	84.7	Confident	84.3	Confident	67 Å²	67	56.4 Å²	56.4	41%	0.411	30%	0.298	S	S	.	.	S	Bend	trans	-105.8	146.3	176.5	51.7	0	0	0	0	109.8	S58 L62	S58-T60 WeakPolarHBondContact CB-O 3.29Å; S58-T60 PolarHBondContact OG-O 3.34Å; T60-L62 PolarHBondContact O-N 2.6Å
61	Q	81.8	Confident	85	Confident	143 Å²	143	56.9 Å²	56.9	67%	0.668	30%	0.304	S	S	*	.			trans	-66.4	129.7	171.5	-167.8	173.7	-4.2	0	0	108.8	F32 Y34	F32-Q61 HydrophobicContact CD1-CG 4.48Å; F32-Q61 HydrophobicContact CD2-CB 4.29Å; F32-Q61 HydrophobicContact CE1-CB 4.27Å; F32-Q61 HydrophobicContact CE1-CG 4.3Å; F32-Q61 HydrophobicContact CE2-CB 3.97Å; F32-Q61 HydrophobicContact CZ-CB 3.95Å; F32-Q61 HydrophobicContact CZ-CG 4.47Å; Y34-Q61 WeakPolarHBondContact OH-CA 3.18Å
62	L	75	Confident	85.5	Confident	47 Å²	47	56.2 Å²	56.2	25%	0.246	30%	0.301	C	S	.	.			trans	-121	138.2	-178.8	-72.8	166.6	0	0	0	107.9	Y34 S58 T60 Y64	Y34-L62 HydrophobicContact CE2-CB 4.31Å; Y34-L62 PolarHBondContact OH-N 2.94Å; S58-L62 WeakPolarHBondContact OG-CD1 3.39Å; T60-L62 PolarHBondContact O-N 2.6Å; L62-Y64 VanDerWaalsContact C-N 3.26Å; L62-Y64 HydrophobicContact CB-CD2 3.62Å; L62-Y64 HydrophobicContact CB-CE2 3.75Å; L62-Y64 HydrophobicContact CD1-CD2 4.38Å; L62-Y64 HydrophobicContact CD1-CE2 3.71Å; L62-Y64 HydrophobicContact CG-CE2 4.31Å; L62-Y64 PolarHBondContact O-N 2.63Å
63	S	73.5	Confident	85.6	Confident	134 Å²	134	56.5 Å²	56.5	94%	0.937	30%	0.302	S	S	*	.			trans	-77.4	77.4	175.2	55.3	0	0	0	0	110.3
64	Y	69.3	Low	85.6	Confident	96 Å²	96	54.8 Å²	54.8	38%	0.376	29%	0.293	S	S	.	.			trans	-95.3	145.2	170.4	-83.9	-72.7	0	0	0	111.3	Y34 H56 L62 H66	Y34-Y64 HydrophobicContact CD2-CD2 4.07Å; Y34-Y64 HydrophobicContact CE2-CD2 4.17Å; H56-Y64 HydrophobicContact CB-CE2 4.35Å; H56-Y64 AromaticContact CD2-CE2 3.75Å; L62-Y64 VanDerWaalsContact C-N 3.26Å; L62-Y64 HydrophobicContact CB-CD2 3.62Å; L62-Y64 HydrophobicContact CB-CE2 3.75Å; L62-Y64 HydrophobicContact CD1-CD2 4.38Å; L62-Y64 HydrophobicContact CD1-CE2 3.71Å; L62-Y64 HydrophobicContact CG-CE2 4.31Å; L62-Y64 PolarHBondContact O-N 2.63Å; Y64-H66 PolarHBondContact O-N 2.76Å; Y64-H66 PolarHBondContact O-ND1 3.27Å
65	N	77.9	Confident	85.4	Confident	155 Å²	155	56.3 Å²	56.3	83%	0.829	30%	0.303	S	S	*	.			trans	-69.4	94.6	162.5	-77.4	-11.8	0	0	0	108.5	N36	N36-N65 PolarHBondContact OD1-O 3.33Å
66	H	81.6	Confident	85.3	Confident	66 Å²	66	59.4 Å²	59.4	31%	0.306	32%	0.319	S	S	.	.			trans	-125.8	151.2	178.3	65.5	-82.7	0	0	0	110.7	Y34 N36 I55 Y64 E68 E69	Y34-H66 HydrophobicContact CD1-CB 4.26Å; Y34-H66 AromaticContact CD1-CD2 3.73Å; Y34-H66 AromaticContact CD1-CE1 3.57Å; Y34-H66 AromaticContact CD1-CG 3.58Å; Y34-H66 AromaticContact CD1-ND1 3.49Å; Y34-H66 WeakPolarHBondContact CD1-ND1 3.5Å; Y34-H66 AromaticContact CD1-NE2 3.74Å; Y34-H66 AromaticContact CE1-CE1 3.74Å; Y34-H66 AromaticContact CE1-ND1 4Å; Y34-H66 HydrophobicContact CG-CB 4.4Å; N36-H66 VanDerWaalsContact OD1-CA 3.31Å; N36-H66 WeakPolarHBondContact OD1-CA 3.41Å; I55-H66 HydrophobicContact CD1-CB 4.3Å; Y64-H66 PolarHBondContact O-N 2.76Å; Y64-H66 PolarHBondContact O-ND1 3.27Å; H66-E68 PolarHBondContact CD2-O 2.83Å; H66-E69 IonicContact CE1-OE1 2.93Å; H66-E69 IonicContact NE2-OE1 3.48Å
67	S	84.2	Confident	85.3	Confident	62 Å²	62	64.8 Å²	64.8	43%	0.434	34%	0.343	S	S	.	.	S	Bend	trans	-86.5	-37	176.8	57.9	0	0	0	0	112.7	L35 N36 S37	L35-S67 PolarHBondContact O-N 2.03Å; L35-S67 PolarHBondContact O-OG 2.9Å; N36-S67 WeakPolarHBondContact CA-OG 3.49Å; N36-S67 PolarHBondContact OD1-N 3.05Å; S37-S67 PolarHBondContact N-OG 2.94Å; S37-S67 PolarHBondContact OG-OG 3.21Å
68	E	87	Confident	85.2	Confident	77 Å²	77	66.3 Å²	66.3	36%	0.36	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	156.5	-169.9	-69.9	171.6	-169.8	0	0	109.8	L35 K52 H66	L35-E68 HydrophobicContact CB-CB 4.19Å; L35-E68 PolarHBondContact N-O 3.26Å; L35-E68 PolarHBondContact O-N 3.28Å; L35-E68 VanDerWaalsContact O-N 3.12Å; K52-E68 IonicContact NZ-OE1 2.71Å; K52-E68 PolarHBondContact NZ-OE1 3.47Å; K52-E68 IonicContact NZ-OE2 2.79Å; K52-E68 PolarHBondContact NZ-OE2 3.42Å; H66-E68 PolarHBondContact CD2-O 2.83Å
69	E	87.4	Confident	85.3	Confident	99 Å²	99	66.2 Å²	66.2	46%	0.463	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	136	171.3	-67.2	-174.8	176.1	0	0	109.8	C33 Y34 H66	C33-E69 CarbonylContact O-C 3.45Å; C33-E69 WeakPolarHBondContact O-CA 3.44Å; Y34-E69 HydrophobicContact CD1-CG 4.08Å; Y34-E69 HydrophobicContact CE1-CG 4.31Å; H66-E69 IonicContact CE1-OE1 2.93Å; H66-E69 IonicContact NE2-OE1 3.48Å
70	L	88.6	Confident	85.6	Confident	7 Å²	7	64.7 Å²	64.7	4%	0.037	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	138.2	173.8	177.7	61.5	0	0	0	109.6	C33 L35 L54 C72 I81 Y84 F116	C33-L70 HydrophobicContact CB-CB 3.8Å; C33-L70 HydrophobicContact CB-CD2 4.22Å; C33-L70 HydrophobicContact CB-CG 4.34Å; C33-L70 PolarHBondContact O-N 2.77Å; L35-L70 HydrophobicContact CD1-CB 3.78Å; L35-L70 HydrophobicContact CD1-CD1 4.46Å; L35-L70 HydrophobicContact CG-CB 4.17Å; L54-L70 HydrophobicContact CD1-CD2 4.11Å; L70-C72 PolarHBondContact O-N 3.42Å; L70-I81 HydrophobicContact CD2-CG2 3.5Å; L70-I81 VanDerWaalsContact CD2-CG2 3.5Å; L70-I81 HydrophobicContact CG-CG2 3.96Å; L70-Y84 HydrophobicContact CD1-CD2 3.37Å; L70-Y84 HydrophobicContact CD1-CE2 4.37Å; L70-Y84 HydrophobicContact CD1-CG 3.88Å; L70-F116 HydrophobicContact CD2-CE1 3.78Å; L70-F116 HydrophobicContact CD2-CZ 4.33Å
71	S	89.4	Confident	86	Confident	55 Å²	55	61.5 Å²	61.5	39%	0.385	32%	0.322	S	S	.	.			trans	-55.1	124.7	176.8	-171.1	0	0	0	0	110.4	G82	S71-G82 WeakPolarHBondContact CB-O 3.31Å; S71-G82 PolarHBondContact O-N 2.75Å; S71-G82 PolarHBondContact OG-O 3.14Å
72	C	91.3	Very high	86.3	Confident	16 Å²	16	54.7 Å²	54.7	11%	0.108	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	123.4	179.1	-169.3	0	0	0	0	108.7	C31 C33 L70 C80	C31-C72 HydrophobicContact CB-CB 4.08Å; C31-C72 WeakPolarHBondContact CB-SG 3.39Å; C31-C72 WeakPolarHBondContact O-CB 3.4Å; C31-C72 VanDerWaalsContact SG-CA 3.58Å; C31-C72 WeakPolarHBondContact SG-CB 3.4Å; C31-C72 CovalentContact SG-SG 2.03Å; C31-C72 PolarHBondContact SG-SG 3.02Å; C33-C72 HydrophobicContact CB-CB 4.35Å; L70-C72 PolarHBondContact O-N 3.42Å; C72-C80 CarbonylContact C-O 3.54Å; C72-C80 WeakPolarHBondContact CA-O 3.33Å
73	Q	90.7	Very high	86.7	Confident	30 Å²	30	54.9 Å²	54.9	14%	0.14	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133.4	-179.7	-172.4	-177.7	5.7	0	0	110.6	C31 V75 I79 C80	C31-Q73 PolarHBondContact SG-N 2.88Å; Q73-V75 HydrophobicContact CG-CG2 4.48Å; Q73-I79 WeakPolarHBondContact O-CA 3.47Å; Q73-C80 HydrophobicContact CB-CB 4.44Å; Q73-C80 PolarHBondContact N-O 3.25Å; Q73-C80 PolarHBondContact O-N 3.02Å
74	R	89.5	Confident	87	Confident	24 Å²	24	49.7 Å²	49.7	9%	0.091	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	137.2	170.7	-177.5	-177.9	177.3	-179.7	16.4	111.2	E29 D76 F78 I79 S108	E29-R74 HydrophobicContact CB-CB 4.34Å; E29-R74 WeakPolarHBondContact O-CB 3.34Å; E29-R74 PolarHBondContact O-N 2.87Å; E29-R74 IonicContact OE2-CZ 2.7Å; E29-R74 IonicContact OE2-NE 3.67Å; E29-R74 IonicContact OE2-NH1 3.51Å; E29-R74 PolarHBondContact OE2-NH1 3.19Å; R74-D76 PolarHBondContact NE-O 3.04Å; R74-D76 PolarHBondContact NH2-O 3.41Å; R74-F78 WeakPolarHBondContact CA-O 3.29Å; R74-I79 HydrophobicContact CB-CG1 4.16Å; R74-I79 HydrophobicContact CG-CG1 4.05Å; R74-S108 VanDerWaalsContact NH2-CB 3.26Å; R74-S108 PolarHBondContact NH2-O 3.39Å; R74-S108 PolarHBondContact NH2-OG 3.25Å
75	V	87.9	Confident	87.1	Confident	33 Å²	33	51.5 Å²	51.5	20%	0.2	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	101.9	171.3	-176.4	0	0	0	0	106.6	S26 Q73 K77 F78	S26-V75 VanDerWaalsContact OG-CG1 3.3Å; S26-V75 WeakPolarHBondContact OG-CG1 3.1Å; Q73-V75 HydrophobicContact CG-CG2 4.48Å; V75-K77 PolarHBondContact O-N 2.81Å; V75-F78 HydrophobicContact CB-CD1 4.45Å; V75-F78 PolarHBondContact N-O 2.96Å; V75-F78 WeakPolarHBondContact O-CB 3.12Å; V75-F78 PolarHBondContact O-N 2.77Å
76	D	86.6	Confident	86.7	Confident	93 Å²	93	46 Å²	46	50%	0.497	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	-106.7	-177.6	-52.2	-43.2	0	0	0	112.9	R74	R74-D76 PolarHBondContact NE-O 3.04Å; R74-D76 PolarHBondContact NH2-O 3.41Å
77	K	90.7	Very high	86	Confident	122 Å²	122	51 Å²	51	53%	0.53	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	0.7	179.3	-55	-171.1	177.5	-179	0	114.1	V75 S108 V109 N110 T111	V75-K77 PolarHBondContact O-N 2.81Å; K77-S108 WeakPolarHBondContact CA-O 3.47Å; K77-S108 WeakPolarHBondContact CG-O 3.36Å; K77-V109 WeakPolarHBondContact O-CA 3.45Å; K77-N110 WeakPolarHBondContact CB-OD1 3.39Å; K77-N110 PolarHBondContact O-N 3.49Å; K77-N110 PolarHBondContact O-OD1 2.83Å; K77-T111 PolarHBondContact O-N 2.88Å
78	F	92.6	Very high	85.1	Confident	32 Å²	32	52 Å²	52	14%	0.14	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	132.5	-177.9	174.9	-90.4	0	0	0	110.3	R74 V75 C80 T111 Q113 L138 V433	R74-F78 WeakPolarHBondContact CA-O 3.29Å; V75-F78 HydrophobicContact CB-CD1 4.45Å; V75-F78 PolarHBondContact N-O 2.96Å; V75-F78 WeakPolarHBondContact O-CB 3.12Å; V75-F78 PolarHBondContact O-N 2.77Å; F78-C80 HydrophobicContact CE1-CB 3.73Å; F78-C80 HydrophobicContact CZ-CB 4.27Å; F78-T111 WeakPolarHBondContact CA-O 3.03Å; F78-T111 HydrophobicContact CD2-CG2 3.5Å; F78-T111 HydrophobicContact CE2-CG2 3.94Å; F78-Q113 HydrophobicContact CE2-CB 3.97Å; F78-Q113 HydrophobicContact CZ-CB 3.72Å; F78-Q113 HydrophobicContact CZ-CG 4.49Å; F78-L138 HydrophobicContact CE2-CD1 4.22Å; F78-V433 HydrophobicContact CE1-CB 4.2Å; F78-V433 HydrophobicContact CE1-CG1 3.81Å; F78-V433 HydrophobicContact CZ-CB 4.02Å; F78-V433 HydrophobicContact CZ-CG1 4.16Å
79	I	94.3	Very high	84.2	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	133	171.2	-69.1	-173.5	0	0	0	109.6	L59 Q73 R74 I81 L103 V109 T111 L112 Q113	L59-I79 HydrophobicContact CD2-CD1 3.89Å; Q73-I79 WeakPolarHBondContact O-CA 3.47Å; R74-I79 HydrophobicContact CB-CG1 4.16Å; R74-I79 HydrophobicContact CG-CG1 4.05Å; I79-I81 HydrophobicContact CG2-CD1 4.38Å; I79-I81 HydrophobicContact CG2-CG1 3.82Å; I79-L103 HydrophobicContact CD1-CB 4.06Å; I79-L103 HydrophobicContact CD1-CD1 4.17Å; I79-L103 HydrophobicContact CD1-CD2 3.94Å; I79-L103 HydrophobicContact CD1-CG 4.29Å; I79-L103 HydrophobicContact CG2-CD1 4.37Å; I79-V109 HydrophobicContact CB-CG1 4.26Å; I79-V109 HydrophobicContact CD1-CB 4.26Å; I79-V109 HydrophobicContact CD1-CG1 3.77Å; I79-V109 HydrophobicContact CD1-CG2 3.5Å; I79-V109 HydrophobicContact CG1-CG1 3.77Å; I79-V109 HydrophobicContact CG1-CG2 3.99Å; I79-T111 PolarHBondContact N-O 2.82Å; I79-L112 HydrophobicContact CB-CD1 4.17Å; I79-L112 HydrophobicContact CG2-CD1 3.89Å; I79-L112 CarbonylContact O-C 3.49Å; I79-L112 WeakPolarHBondContact O-CA 3.37Å; I79-Q113 PolarHBondContact O-N 2.84Å
80	C	93.4	Very high	83.4	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.007	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	123.6	172.9	-146.5	0	0	0	0	108.2	C72 Q73 F78 Q113 C435	C72-C80 CarbonylContact C-O 3.54Å; C72-C80 WeakPolarHBondContact CA-O 3.33Å; Q73-C80 HydrophobicContact CB-CB 4.44Å; Q73-C80 PolarHBondContact N-O 3.25Å; Q73-C80 PolarHBondContact O-N 3.02Å; F78-C80 HydrophobicContact CE1-CB 3.73Å; F78-C80 HydrophobicContact CZ-CB 4.27Å; C80-Q113 PolarHBondContact SG-NE2 3.2Å; C80-Q113 VanDerWaalsContact SG-NE2 3.42Å; C80-C435 HydrophobicContact CB-CB 3.91Å; C80-C435 WeakPolarHBondContact CB-SG 3.5Å; C80-C435 VanDerWaalsContact SG-CA 3.51Å; C80-C435 WeakPolarHBondContact SG-CB 3.49Å; C80-C435 CovalentContact SG-SG 2.02Å; C80-C435 PolarHBondContact SG-SG 3.48Å
81	I	93	Very high	82.9	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	117.7	173.8	-49.1	-179.9	0	0	0	108.2	L70 I79 F100 L103 L112 Q113 L114 D115 F116	L70-I81 HydrophobicContact CD2-CG2 3.5Å; L70-I81 VanDerWaalsContact CD2-CG2 3.5Å; L70-I81 HydrophobicContact CG-CG2 3.96Å; I79-I81 HydrophobicContact CG2-CD1 4.38Å; I79-I81 HydrophobicContact CG2-CG1 3.82Å; I81-F100 HydrophobicContact CD1-CD1 3.72Å; I81-F100 HydrophobicContact CD1-CE1 3.53Å; I81-L103 HydrophobicContact CD1-CD1 3.99Å; I81-L112 HydrophobicContact CD1-CD1 3.77Å; I81-L112 HydrophobicContact CG1-CD1 4.01Å; I81-Q113 PolarHBondContact N-O 3.06Å; I81-L114 HydrophobicContact CB-CD2 4.23Å; I81-L114 HydrophobicContact CD1-CD2 4.08Å; I81-L114 HydrophobicContact CG1-CD2 4.41Å; I81-D115 PolarHBondContact O-N 3.2Å; I81-F116 HydrophobicContact CB-CE1 4.37Å; I81-F116 HydrophobicContact CB-CZ 4.25Å; I81-F116 HydrophobicContact CG2-CE1 3.8Å; I81-F116 HydrophobicContact CG2-CZ 3.82Å
82	G	88.3	Confident	82.7	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	116.5	-171.4	-173.9	0	0	0	0	0	113	S71 C435	S71-G82 WeakPolarHBondContact CB-O 3.31Å; S71-G82 PolarHBondContact O-N 2.75Å; S71-G82 PolarHBondContact OG-O 3.14Å; G82-C435 WeakPolarHBondContact O-CB 3.12Å; G82-C435 PolarHBondContact O-SG 3.03Å
83	P	83.8	Confident	82.5	Confident	51 Å²	51	53.5 Å²	53.5	33%	0.331	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-68.9	140.6	-4.1	30.3	-35.4	0	0	0	111.9	L85 D115	P83-L85 HydrophobicContact CB-CG 4.21Å; P83-L85 HydrophobicContact CG-CD1 4.27Å; P83-L85 HydrophobicContact CG-CG 4.4Å; P83-L85 PolarHBondContact O-N 3.18Å; P83-D115 VanDerWaalsContact CA-O 3.31Å; P83-D115 WeakPolarHBondContact CA-O 3.46Å
84	Y	79.5	Confident	82.4	Confident	25 Å²	25	53.6 Å²	53.6	10%	0.098	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	100.8	164.3	-166.5	-108.3	0	0	0	109.3	L35 K52 L70 I91 D115 I118	L35-Y84 HydrophobicContact CD1-CD2 4.09Å; L35-Y84 HydrophobicContact CD1-CE2 3.51Å; K52-Y84 WeakPolarHBondContact CE-OH 3.3Å; K52-Y84 WeakPolarHBondContact CG-OH 3.43Å; L70-Y84 HydrophobicContact CD1-CD2 3.37Å; L70-Y84 HydrophobicContact CD1-CE2 4.37Å; L70-Y84 HydrophobicContact CD1-CG 3.88Å; Y84-I91 HydrophobicContact CE1-CG2 4.3Å; Y84-D115 PolarHBondContact N-O 2.78Å; Y84-I118 HydrophobicContact CD1-CD1 3.33Å; Y84-I118 HydrophobicContact CD1-CG1 3.96Å; Y84-I118 HydrophobicContact CD1-CG2 4.11Å; Y84-I118 HydrophobicContact CE1-CD1 3.62Å; Y84-I118 HydrophobicContact CG-CD1 4.43Å
85	L	71.4	Confident	82.5	Confident	134 Å²	134	52.8 Å²	52.8	70%	0.702	29%	0.285	S	S	*	.			trans	-99.5	112	175.7	-64.9	167.2	0	0	0	108	P83	P83-L85 HydrophobicContact CB-CG 4.21Å; P83-L85 HydrophobicContact CG-CD1 4.27Å; P83-L85 HydrophobicContact CG-CG 4.4Å; P83-L85 PolarHBondContact O-N 3.18Å
86	S	69.5	Low	82.7	Confident	39 Å²	39	53 Å²	53	27%	0.273	29%	0.285	S	S	.	.			trans	-110.5	139.6	167.1	-176	0	0	0	0	110.4	D88 I91	S86-D88 PolarHBondContact OG-N 3.03Å; S86-D88 VanDerWaalsContact OG-N 3.12Å; S86-I91 WeakPolarHBondContact OG-CD1 3.43Å
87	N	66.5	Low	83.1	Confident	171 Å²	171	51.8 Å²	51.8	91%	0.914	28%	0.282	S	S	*	.	S	Bend	trans	-74.1	-16.4	171.2	-70.1	-14	0	0	0	112.3	S89	N87-S89 PolarHBondContact O-N 3.18Å
88	D	66.5	Low	83.2	Confident	82 Å²	82	46.5 Å²	46.5	44%	0.439	26%	0.259	S	S	.	.			trans	-83.8	113.3	-179.5	-74.6	-8.4	0	0	0	109.8	N50 S86 H90 I91	N50-D88 PolarHBondContact ND2-OD2 2.86Å; S86-D88 PolarHBondContact OG-N 3.03Å; S86-D88 VanDerWaalsContact OG-N 3.12Å; D88-H90 PolarHBondContact O-N 3.49Å; D88-I91 HydrophobicContact CB-CD1 3.76Å; D88-I91 HydrophobicContact CB-CG1 3.54Å; D88-I91 PolarHBondContact O-N 2.79Å
89	S	67	Low	83.2	Confident	95 Å²	95	45 Å²	45	66%	0.664	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-5.8	-179.7	63.3	0	0	0	0	114.8	N87	N87-S89 PolarHBondContact O-N 3.18Å
90	H	71.1	Confident	83.2	Confident	129 Å²	129	45 Å²	45	60%	0.597	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.6	26.4	-174.2	-57.5	99.5	0	0	0	113.1	D88	D88-H90 PolarHBondContact O-N 3.49Å
91	I	78	Confident	83.2	Confident	5 Å²	5	45.3 Å²	45.3	3%	0.026	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	131.7	173	-63.7	-166.5	0	0	0	111.3	N50 K52 Y84 S86 D88 I118	N50-I91 HydrophobicContact CB-CG1 3.94Å; N50-I91 WeakPolarHBondContact O-CA 2.89Å; K52-I91 HydrophobicContact CB-CG2 4.22Å; K52-I91 HydrophobicContact CG-CD1 4.37Å; K52-I91 HydrophobicContact CG-CG2 3.63Å; Y84-I91 HydrophobicContact CE1-CG2 4.3Å; S86-I91 WeakPolarHBondContact OG-CD1 3.43Å; D88-I91 HydrophobicContact CB-CD1 3.76Å; D88-I91 HydrophobicContact CB-CG1 3.54Å; D88-I91 PolarHBondContact O-N 2.79Å; I91-I118 HydrophobicContact CG2-CD1 3.88Å
92	N	84.5	Confident	83.1	Confident	56 Å²	56	46.1 Å²	46.1	30%	0.299	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.4	168	-66.5	-21.7	0	0	0	110.3	N50 V51 K52 N119	N50-N92 PolarHBondContact O-N 3.17Å; V51-N92 WeakPolarHBondContact CA-O 3.49Å; K52-N92 PolarHBondContact N-O 2.71Å; N92-N119 CarbonylContact C-O 3.44Å; N92-N119 VanDerWaalsContact CA-O 3.28Å; N92-N119 WeakPolarHBondContact CA-O 3.28Å; N92-N119 WeakPolarHBondContact OD1-CB 3.45Å
93	L	87.5	Confident	83.3	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	118.2	170.6	-169.2	64.3	0	0	0	110.3	L35 K52 L54 I95 F116 I118 N119 T120 H121	L35-L93 HydrophobicContact CD2-CD1 3.63Å; K52-L93 HydrophobicContact CB-CD1 4.24Å; K52-L93 CarbonylContact O-C 3.57Å; K52-L93 VanDerWaalsContact O-CA 3.31Å; K52-L93 WeakPolarHBondContact O-CA 3.31Å; L54-L93 HydrophobicContact CB-CD1 4.25Å; L93-I95 HydrophobicContact CD2-CD1 4.43Å; L93-I95 HydrophobicContact CD2-CG1 4.24Å; L93-I95 HydrophobicContact CG-CG1 4.24Å; L93-F116 HydrophobicContact CD2-CD1 4.17Å; L93-F116 HydrophobicContact CD2-CD2 4.34Å; L93-F116 HydrophobicContact CD2-CE1 4.42Å; L93-F116 HydrophobicContact CD2-CE2 4.5Å; L93-F116 HydrophobicContact CD2-CG 4.15Å; L93-I118 HydrophobicContact CB-CD1 3.62Å; L93-I118 HydrophobicContact CB-CG1 4.23Å; L93-I118 HydrophobicContact CG-CD1 4.5Å; L93-N119 PolarHBondContact N-O 3Å; L93-T120 HydrophobicContact CB-CG2 3.79Å; L93-T120 HydrophobicContact CD2-CG2 4.06Å; L93-T120 HydrophobicContact CG-CG2 4.5Å; L93-T120 CarbonylContact O-C 3.48Å; L93-T120 WeakPolarHBondContact O-CA 3.03Å; L93-H121 PolarHBondContact O-N 2.68Å
94	S	89.2	Confident	83.6	Confident	33 Å²	33	43.8 Å²	43.8	23%	0.231	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	129.3	165.4	-175.2	0	0	0	0	109.2	K52 Q53 L54	K52-S94 PolarHBondContact O-N 3.46Å; Q53-S94 CarbonylContact C-O 3.59Å; Q53-S94 VanDerWaalsContact CA-O 3.24Å; Q53-S94 WeakPolarHBondContact CA-O 3.1Å; L54-S94 PolarHBondContact N-O 3.5Å
95	I	92	Very high	83.9	Confident	7 Å²	7	44.9 Å²	44.9	4%	0.036	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	129.7	177.1	-59.7	172.4	0	0	0	108.7	L54 L93 A99 F100 F116 L123 T127	L54-I95 HydrophobicContact CB-CG1 4.28Å; L54-I95 HydrophobicContact CD2-CG1 4.24Å; L54-I95 HydrophobicContact CD2-CG2 4.2Å; L93-I95 HydrophobicContact CD2-CD1 4.43Å; L93-I95 HydrophobicContact CD2-CG1 4.24Å; L93-I95 HydrophobicContact CG-CG1 4.24Å; I95-A99 HydrophobicContact CG2-CB 3.65Å; I95-F100 HydrophobicContact CD1-CZ 4.34Å; I95-F100 HydrophobicContact CG2-CE2 3.95Å; I95-F100 HydrophobicContact CG2-CZ 4.11Å; I95-F116 HydrophobicContact CD1-CE2 4.18Å; I95-L123 HydrophobicContact CD1-CD1 4.26Å; I95-L123 HydrophobicContact CD1-CD2 3.89Å; I95-L123 HydrophobicContact CD1-CG 4.01Å; I95-T127 HydrophobicContact CB-CG2 4.25Å; I95-T127 HydrophobicContact CG2-CG2 4.26Å
96	N	92.2	Very high	84.3	Confident	36 Å²	36	41.5 Å²	41.5	19%	0.193	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-69.4	153.1	177.9	-84.5	-1.3	0	0	0	112.9	Q53 L54 W98 A99	Q53-N96 WeakPolarHBondContact CG-OD1 3.37Å; Q53-N96 PolarHBondContact NE2-OD1 3.28Å; L54-N96 WeakPolarHBondContact O-CB 3.32Å; L54-N96 PolarHBondContact O-N 3.13Å; N96-W98 PolarHBondContact O-N 2.78Å; N96-A99 HydrophobicContact CB-CB 4.43Å; N96-A99 VanDerWaalsContact O-CB 3.26Å; N96-A99 WeakPolarHBondContact O-CB 2.94Å; N96-A99 PolarHBondContact O-N 2.79Å
97	P	93.2	Very high	84.9	Confident	68 Å²	68	44.7 Å²	44.7	44%	0.442	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45	137	159.7	-31.3	39.7	0	0	0	111.3	A99 L126	P97-A99 PolarHBondContact O-N 3.12Å; P97-L126 HydrophobicContact CB-CD1 4.28Å; P97-L126 HydrophobicContact CB-CD2 3.84Å; P97-L126 HydrophobicContact CB-CG 3.71Å; P97-L126 HydrophobicContact CG-CD2 3.74Å; P97-L126 HydrophobicContact CG-CG 4.1Å
98	W	93.7	Very high	85.7	Confident	11 Å²	11	38.1 Å²	38.1	4%	0.042	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	19.7	176.1	-53.1	87.8	0	0	0	114.9	N96 F100 S101 L126 A129 V278 I282 G283 Q284 P285	N96-W98 PolarHBondContact O-N 2.78Å; W98-F100 PolarHBondContact O-N 3.27Å; W98-S101 PolarHBondContact O-N 2.79Å; W98-S101 VanDerWaalsContact O-N 3.12Å; W98-S101 PolarHBondContact O-OG 3.11Å; W98-S101 VanDerWaalsContact O-OG 3.12Å; W98-L126 PolarHBondContact N-O 3.14Å; W98-A129 HydrophobicContact CD2-CB 3.49Å; W98-A129 VanDerWaalsContact CD2-CB 3.49Å; W98-A129 HydrophobicContact CE3-CB 3.52Å; W98-A129 HydrophobicContact CG-CB 4.09Å; W98-A129 HydrophobicContact CH2-CB 4.01Å; W98-A129 HydrophobicContact CZ2-CB 3.99Å; W98-A129 HydrophobicContact CZ3-CB 3.79Å; W98-V278 HydrophobicContact CH2-CG1 4.44Å; W98-I282 PolarHBondContact NE1-O 3.1Å; W98-G283 VanDerWaalsContact CD1-O 3.23Å; W98-Q284 HydrophobicContact CD2-CB 4.18Å; W98-Q284 HydrophobicContact CD2-CG 4.31Å; W98-Q284 HydrophobicContact CE3-CB 4.23Å; W98-Q284 HydrophobicContact CE3-CG 3.89Å; W98-Q284 HydrophobicContact CH2-CB 3.75Å; W98-Q284 HydrophobicContact CH2-CG 3.78Å; W98-Q284 HydrophobicContact CZ2-CB 3.68Å; W98-Q284 HydrophobicContact CZ2-CG 4.21Å; W98-Q284 HydrophobicContact CZ3-CB 4.03Å; W98-Q284 HydrophobicContact CZ3-CG 3.61Å; W98-P285 HydrophobicContact CB-CG 4.14Å
99	A	93	Very high	86.8	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-31.5	-174.8	0	0	0	0	0	112.9	H56 C57 I95 N96 P97	H56-A99 CarbonylContact C-O 3.46Å; C57-A99 PolarHBondContact N-O 2.97Å; I95-A99 HydrophobicContact CG2-CB 3.65Å; N96-A99 HydrophobicContact CB-CB 4.43Å; N96-A99 VanDerWaalsContact O-CB 3.26Å; N96-A99 WeakPolarHBondContact O-CB 2.94Å; N96-A99 PolarHBondContact O-N 2.79Å; P97-A99 PolarHBondContact O-N 3.12Å
100	F	94.6	Very high	88.1	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-3.1	-176.8	-52.6	-65.9	0	0	0	114.5	L54 C57 I81 I95 W98 N102 L103 F104 L114 T127 L128 M131	L54-F100 HydrophobicContact CD2-CE1 3.71Å; L54-F100 HydrophobicContact CD2-CZ 3.76Å; C57-F100 HydrophobicContact CB-CD1 4.21Å; I81-F100 HydrophobicContact CD1-CD1 3.72Å; I81-F100 HydrophobicContact CD1-CE1 3.53Å; I95-F100 HydrophobicContact CD1-CZ 4.34Å; I95-F100 HydrophobicContact CG2-CE2 3.95Å; I95-F100 HydrophobicContact CG2-CZ 4.11Å; W98-F100 PolarHBondContact O-N 3.27Å; F100-N102 VanDerWaalsContact C-N 3.27Å; F100-N102 PolarHBondContact O-N 3.1Å; F100-N102 VanDerWaalsContact O-N 3.16Å; F100-L103 HydrophobicContact CB-CD1 4.36Å; F100-L103 HydrophobicContact CD1-CD1 4.18Å; F100-L103 VanDerWaalsContact O-CB 3.31Å; F100-L103 WeakPolarHBondContact O-CB 3.45Å; F100-L103 PolarHBondContact O-N 3.13Å; F100-F104 WeakPolarHBondContact O-CD2 3.37Å; F100-L114 HydrophobicContact CE1-CD2 4.44Å; F100-L114 HydrophobicContact CZ-CD2 4.36Å; F100-T127 WeakPolarHBondContact CD2-O 3.35Å; F100-L128 HydrophobicContact CD2-CD2 4.36Å; F100-L128 HydrophobicContact CE2-CD2 4.3Å; F100-M131 HydrophobicContact CB-CG 4Å; F100-M131 HydrophobicContact CB-SD 3.58Å; F100-M131 VanDerWaalsContact CB-SD 3.58Å; F100-M131 HydrophobicContact CD2-SD 4.19Å; F100-M131 HydrophobicContact CG-SD 4.14Å
101	S	93	Very high	89.3	Confident	9 Å²	9	26.2 Å²	26.2	6%	0.063	16%	0.156	C	C	.	.	H	α-helix	trans	-57.4	-38.4	-169.1	66.4	0	0	0	0	113.3	W98 L103 F104 V105 P285	W98-S101 PolarHBondContact O-N 2.79Å; W98-S101 VanDerWaalsContact O-N 3.12Å; W98-S101 PolarHBondContact O-OG 3.11Å; W98-S101 VanDerWaalsContact O-OG 3.12Å; S101-L103 PolarHBondContact O-N 2.72Å; S101-F104 PolarHBondContact O-N 2.69Å; S101-V105 PolarHBondContact O-N 3.22Å; S101-P285 WeakPolarHBondContact OG-CG 3.44Å
102	N	91.2	Very high	90.2	Very high	16 Å²	16	26 Å²	26	9%	0.086	16%	0.155	C	C	.	.	H	α-helix	trans	-74.2	-12.1	-177.2	-73.1	-1.4	0	0	0	113.9	H56 F100 P288	H56-N102 VanDerWaalsContact CE1-CB 3.46Å; H56-N102 WeakPolarHBondContact CE1-CB 3.42Å; H56-N102 PolarHBondContact CE1-ND2 2.86Å; H56-N102 WeakPolarHBondContact NE2-CB 3.38Å; H56-N102 PolarHBondContact NE2-ND2 2.79Å; F100-N102 VanDerWaalsContact C-N 3.27Å; F100-N102 PolarHBondContact O-N 3.1Å; F100-N102 VanDerWaalsContact O-N 3.16Å; N102-P288 WeakPolarHBondContact OD1-CD 3.46Å
103	L	91.8	Very high	90.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-70.4	-24.7	168.5	-59.1	179.5	0	0	0	111.9	C31 C57 L59 I79 I81 F100 S101 V109	C31-L103 HydrophobicContact CB-CD2 4.29Å; C57-L103 HydrophobicContact CB-CD1 3.74Å; C57-L103 HydrophobicContact CB-CD2 4.04Å; C57-L103 HydrophobicContact CB-CG 3.89Å; L59-L103 HydrophobicContact CD2-CD2 4.27Å; L59-L103 HydrophobicContact CG-CD2 4.36Å; I79-L103 HydrophobicContact CD1-CB 4.06Å; I79-L103 HydrophobicContact CD1-CD1 4.17Å; I79-L103 HydrophobicContact CD1-CD2 3.94Å; I79-L103 HydrophobicContact CD1-CG 4.29Å; I79-L103 HydrophobicContact CG2-CD1 4.37Å; I81-L103 HydrophobicContact CD1-CD1 3.99Å; F100-L103 HydrophobicContact CB-CD1 4.36Å; F100-L103 HydrophobicContact CD1-CD1 4.18Å; F100-L103 VanDerWaalsContact O-CB 3.31Å; F100-L103 WeakPolarHBondContact O-CB 3.45Å; F100-L103 PolarHBondContact O-N 3.13Å; S101-L103 PolarHBondContact O-N 2.72Å; L103-V109 WeakPolarHBondContact O-CG2 3.23Å
104	F	90.8	Very high	91	Very high	3 Å²	3	24 Å²	24	1%	0.013	14%	0.144	C	C	.	.	H	α-helix	trans	-112	1.6	-171.2	-65.8	-90.9	0	0	0	114.4	F100 S101 S106 N107 V109 L112 M131 L134	F100-F104 WeakPolarHBondContact O-CD2 3.37Å; S101-F104 PolarHBondContact O-N 2.69Å; F104-S106 PolarHBondContact O-N 2.83Å; F104-S106 VanDerWaalsContact O-N 3.08Å; F104-N107 PolarHBondContact O-N 2.79Å; F104-N107 PolarHBondContact O-OD1 2.03Å; F104-V109 HydrophobicContact CD1-CB 4.11Å; F104-V109 HydrophobicContact CD1-CG1 4.33Å; F104-V109 WeakPolarHBondContact CD1-O 3.28Å; F104-V109 HydrophobicContact CE1-CB 3.89Å; F104-V109 HydrophobicContact CE1-CG1 3.62Å; F104-V109 WeakPolarHBondContact CE1-O 3.43Å; F104-V109 HydrophobicContact CZ-CB 4.39Å; F104-V109 HydrophobicContact CZ-CG1 3.77Å; F104-L112 HydrophobicContact CZ-CB 4.31Å; F104-M131 HydrophobicContact CD2-CB 3.87Å; F104-M131 HydrophobicContact CD2-CG 3.55Å; F104-M131 HydrophobicContact CD2-SD 4.13Å; F104-M131 HydrophobicContact CE2-CB 4.04Å; F104-M131 HydrophobicContact CE2-CG 3.62Å; F104-M131 HydrophobicContact CE2-SD 3.55Å; F104-M131 VanDerWaalsContact CE2-SD 3.55Å; F104-M131 HydrophobicContact CG-CB 4.15Å; F104-M131 HydrophobicContact CG-CG 4.31Å; F104-M131 HydrophobicContact CZ-CB 4.44Å; F104-M131 HydrophobicContact CZ-CG 4.41Å; F104-M131 HydrophobicContact CZ-SD 4.16Å; F104-L134 HydrophobicContact CD1-CB 4.47Å; F104-L134 HydrophobicContact CE1-CB 3.89Å; F104-L134 HydrophobicContact CE1-CD1 3.86Å; F104-L134 HydrophobicContact CE1-CG 4.46Å; F104-L134 HydrophobicContact CZ-CB 4.31Å; F104-L134 HydrophobicContact CZ-CD1 3.81Å
105	V	84.1	Confident	91.1	Very high	47 Å²	47	23 Å²	23	29%	0.285	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-34.9	-178.6	169.8	0	0	0	0	113.3	S101 P288 I290	S101-V105 PolarHBondContact O-N 3.22Å; V105-P288 HydrophobicContact CG2-CG 4.43Å; V105-I290 HydrophobicContact CB-CD1 4.25Å; V105-I290 HydrophobicContact CG1-CD1 3.82Å; V105-I290 HydrophobicContact CG1-CG1 4.49Å
106	S	81.2	Confident	90.9	Very high	63 Å²	63	22.7 Å²	22.7	44%	0.441	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-1.6	179.9	55.1	0	0	0	0	114.3	F104 S108	F104-S106 PolarHBondContact O-N 2.83Å; F104-S106 VanDerWaalsContact O-N 3.08Å; S106-S108 PolarHBondContact O-N 2.89Å; S106-S108 WeakPolarHBondContact OG-CB 3.39Å; S106-S108 PolarHBondContact OG-OG 3.48Å
107	N	80.8	Confident	90.5	Very high	106 Å²	106	24.6 Å²	24.6	57%	0.567	14%	0.144	S	C	*	.	S	Bend	trans	49	23.2	-167.8	-70.5	-24.2	0	0	0	113.8	F104 V109	F104-N107 PolarHBondContact O-N 2.79Å; F104-N107 PolarHBondContact O-OD1 2.03Å; N107-V109 VanDerWaalsContact C-N 3.27Å
108	S	84.2	Confident	89.7	Confident	33 Å²	33	22.2 Å²	22.2	23%	0.231	13%	0.128	C	C	.	.			trans	-84.2	-6.6	179.2	65.9	0	0	0	0	112.7	R74 K77 S106	R74-S108 VanDerWaalsContact NH2-CB 3.26Å; R74-S108 PolarHBondContact NH2-O 3.39Å; R74-S108 PolarHBondContact NH2-OG 3.25Å; K77-S108 WeakPolarHBondContact CA-O 3.47Å; K77-S108 WeakPolarHBondContact CG-O 3.36Å; S106-S108 PolarHBondContact O-N 2.89Å; S106-S108 WeakPolarHBondContact OG-CB 3.39Å; S106-S108 PolarHBondContact OG-OG 3.48Å
109	V	90.5	Very high	89	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.152	C	C	.	.			trans	-115.5	133.3	176.7	-179	0	0	0	0	107.5	L59 K77 I79 L103 F104 N107	L59-V109 HydrophobicContact CD2-CG2 4.48Å; K77-V109 WeakPolarHBondContact O-CA 3.45Å; I79-V109 HydrophobicContact CB-CG1 4.26Å; I79-V109 HydrophobicContact CD1-CB 4.26Å; I79-V109 HydrophobicContact CD1-CG1 3.77Å; I79-V109 HydrophobicContact CD1-CG2 3.5Å; I79-V109 HydrophobicContact CG1-CG1 3.77Å; I79-V109 HydrophobicContact CG1-CG2 3.99Å; L103-V109 WeakPolarHBondContact O-CG2 3.23Å; F104-V109 HydrophobicContact CD1-CB 4.11Å; F104-V109 HydrophobicContact CD1-CG1 4.33Å; F104-V109 WeakPolarHBondContact CD1-O 3.28Å; F104-V109 HydrophobicContact CE1-CB 3.89Å; F104-V109 HydrophobicContact CE1-CG1 3.62Å; F104-V109 WeakPolarHBondContact CE1-O 3.43Å; F104-V109 HydrophobicContact CZ-CB 4.39Å; F104-V109 HydrophobicContact CZ-CG1 3.77Å; N107-V109 VanDerWaalsContact C-N 3.27Å
110	N	94.3	Very high	88.1	Confident	39 Å²	39	27.5 Å²	27.5	21%	0.209	16%	0.157	C	C	.	.			trans	-130.9	-10.9	178.6	72	-1.7	0	0	0	113.4	K77 L135 N136	K77-N110 WeakPolarHBondContact CB-OD1 3.39Å; K77-N110 PolarHBondContact O-N 3.49Å; K77-N110 PolarHBondContact O-OD1 2.83Å; N110-L135 HydrophobicContact CB-CB 4.4Å; N110-L135 HydrophobicContact CB-CD1 3.92Å; N110-L135 HydrophobicContact CB-CG 3.93Å; N110-L135 PolarHBondContact O-N 2.76Å; N110-N136 PolarHBondContact O-N 2.96Å
111	T	95.8	Very high	87.5	Confident	17 Å²	17	32.7 Å²	32.7	10%	0.104	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	126.9	-180	-54.9	0	0	0	0	109.3	K77 F78 I79 N136 L138	K77-T111 PolarHBondContact O-N 2.88Å; F78-T111 WeakPolarHBondContact CA-O 3.03Å; F78-T111 HydrophobicContact CD2-CG2 3.5Å; F78-T111 HydrophobicContact CE2-CG2 3.94Å; I79-T111 PolarHBondContact N-O 2.82Å; T111-N136 WeakPolarHBondContact CA-O 3.43Å; T111-N136 HydrophobicContact CG2-CB 3.76Å; T111-N136 PolarHBondContact OG1-ND2 2.81Å; T111-N136 VanDerWaalsContact OG1-ND2 3.12Å; T111-L138 HydrophobicContact CG2-CD1 4.19Å; T111-L138 HydrophobicContact CG2-CG 4.47Å
112	L	96.3	Very high	87.3	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	124.8	177.7	-179.8	61.6	0	0	0	109.6	I79 I81 F104 L114 M131 L134 N136 L137 L138	I79-L112 HydrophobicContact CB-CD1 4.17Å; I79-L112 HydrophobicContact CG2-CD1 3.89Å; I79-L112 CarbonylContact O-C 3.49Å; I79-L112 WeakPolarHBondContact O-CA 3.37Å; I81-L112 HydrophobicContact CD1-CD1 3.77Å; I81-L112 HydrophobicContact CG1-CD1 4.01Å; F104-L112 HydrophobicContact CZ-CB 4.31Å; L112-L114 HydrophobicContact CD1-CD2 4.08Å; L112-L114 HydrophobicContact CD2-CD2 3.99Å; L112-L114 HydrophobicContact CD2-CG 4.38Å; L112-L114 HydrophobicContact CG-CD2 3.92Å; L112-L114 HydrophobicContact CG-CG 4.25Å; L112-M131 HydrophobicContact CD2-CE 4.36Å; L112-M131 HydrophobicContact CD2-SD 3.69Å; L112-L134 HydrophobicContact CB-CD1 3.63Å; L112-N136 PolarHBondContact N-O 2.87Å; L112-L137 HydrophobicContact CB-CD1 4.25Å; L112-L137 HydrophobicContact CD2-CD1 4.17Å; L112-L137 HydrophobicContact CG-CD1 4.24Å; L112-L137 WeakPolarHBondContact O-CA 3.02Å; L112-L138 PolarHBondContact O-N 2.88Å
113	Q	95.4	Very high	87.5	Confident	17 Å²	17	34.9 Å²	34.9	8%	0.079	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	127.6	168.9	-177.8	171.2	-50	0	0	109.8	F78 I79 C80 I81 D115 L138 V433	F78-Q113 HydrophobicContact CE2-CB 3.97Å; F78-Q113 HydrophobicContact CZ-CB 3.72Å; F78-Q113 HydrophobicContact CZ-CG 4.49Å; I79-Q113 PolarHBondContact O-N 2.84Å; C80-Q113 PolarHBondContact SG-NE2 3.2Å; C80-Q113 VanDerWaalsContact SG-NE2 3.42Å; I81-Q113 PolarHBondContact N-O 3.06Å; Q113-D115 PolarHBondContact NE2-OD2 2.81Å; Q113-L138 CarbonylContact C-O 3.04Å; Q113-L138 WeakPolarHBondContact CA-O 3.44Å; Q113-L138 HydrophobicContact CB-CB 4.09Å; Q113-L138 HydrophobicContact CG-CB 4.12Å; Q113-V433 PolarHBondContact NE2-O 2.02Å
114	L	94.1	Very high	87.7	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	118.8	175.3	-58.7	-179.5	0	0	0	108.5	I81 F100 L112 F116 L123 L137 L138 S142 L144	I81-L114 HydrophobicContact CB-CD2 4.23Å; I81-L114 HydrophobicContact CD1-CD2 4.08Å; I81-L114 HydrophobicContact CG1-CD2 4.41Å; F100-L114 HydrophobicContact CE1-CD2 4.44Å; F100-L114 HydrophobicContact CZ-CD2 4.36Å; L112-L114 HydrophobicContact CD1-CD2 4.08Å; L112-L114 HydrophobicContact CD2-CD2 3.99Å; L112-L114 HydrophobicContact CD2-CG 4.38Å; L112-L114 HydrophobicContact CG-CD2 3.92Å; L112-L114 HydrophobicContact CG-CG 4.25Å; L114-F116 HydrophobicContact CB-CD2 4.09Å; L114-F116 HydrophobicContact CB-CE2 3.98Å; L114-F116 HydrophobicContact CD1-CE2 4.17Å; L114-F116 HydrophobicContact CD2-CE2 3.76Å; L114-F116 HydrophobicContact CD2-CZ 3.92Å; L114-F116 HydrophobicContact CG-CE2 4.18Å; L114-L123 HydrophobicContact CD1-CD2 4.33Å; L114-L137 HydrophobicContact CD1-CD1 4.15Å; L114-L137 HydrophobicContact CG-CD1 4.29Å; L114-L138 PolarHBondContact N-O 2.88Å; L114-S142 WeakPolarHBondContact O-CB 3.46Å; L114-S142 PolarHBondContact O-OG 2.93Å; L114-L144 HydrophobicContact CB-CD1 4.49Å; L114-L144 HydrophobicContact CD1-CD1 4.27Å
115	D	90.9	Very high	87.9	Confident	12 Å²	12	36 Å²	36	6%	0.064	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	73.4	177.9	-69.7	-29.4	0	0	0	110.1	I81 P83 Y84 Q113 T141 C435	I81-D115 PolarHBondContact O-N 3.2Å; P83-D115 VanDerWaalsContact CA-O 3.31Å; P83-D115 WeakPolarHBondContact CA-O 3.46Å; Y84-D115 PolarHBondContact N-O 2.78Å; Q113-D115 PolarHBondContact NE2-OD2 2.81Å; D115-T141 WeakPolarHBondContact CA-OG1 3.26Å; D115-T141 WeakPolarHBondContact CB-OG1 3.01Å; D115-T141 VanDerWaalsContact CG-OG1 3.23Å; D115-T141 PolarHBondContact OD1-OG1 2.03Å; D115-C435 PolarHBondContact OD2-SG 2.99Å
116	F	88	Confident	88.4	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	102.4	-179.4	-60.4	-36.3	0	0	0	110.3	L70 I81 L93 I95 L114 I118 T120 S142 L143 L144	L70-F116 HydrophobicContact CD2-CE1 3.78Å; L70-F116 HydrophobicContact CD2-CZ 4.33Å; I81-F116 HydrophobicContact CB-CE1 4.37Å; I81-F116 HydrophobicContact CB-CZ 4.25Å; I81-F116 HydrophobicContact CG2-CE1 3.8Å; I81-F116 HydrophobicContact CG2-CZ 3.82Å; L93-F116 HydrophobicContact CD2-CD1 4.17Å; L93-F116 HydrophobicContact CD2-CD2 4.34Å; L93-F116 HydrophobicContact CD2-CE1 4.42Å; L93-F116 HydrophobicContact CD2-CE2 4.5Å; L93-F116 HydrophobicContact CD2-CG 4.15Å; I95-F116 HydrophobicContact CD1-CE2 4.18Å; L114-F116 HydrophobicContact CB-CD2 4.09Å; L114-F116 HydrophobicContact CB-CE2 3.98Å; L114-F116 HydrophobicContact CD1-CE2 4.17Å; L114-F116 HydrophobicContact CD2-CE2 3.76Å; L114-F116 HydrophobicContact CD2-CZ 3.92Å; L114-F116 HydrophobicContact CG-CE2 4.18Å; F116-I118 VanDerWaalsContact C-N 3.29Å; F116-I118 PolarHBondContact O-N 2.92Å; F116-T120 HydrophobicContact CB-CG2 4.19Å; F116-S142 PolarHBondContact N-OG 3.45Å; F116-S142 WeakPolarHBondContact O-CA 3.5Å; F116-L143 PolarHBondContact O-N 3.11Å; F116-L144 HydrophobicContact CB-CD2 3.76Å; F116-L144 HydrophobicContact CD2-CD1 4.08Å; F116-L144 HydrophobicContact CD2-CD2 3.82Å; F116-L144 HydrophobicContact CG-CD2 4.27Å
117	N	82.5	Confident	89.1	Confident	75 Å²	75	32 Å²	32	40%	0.401	17%	0.169	S	C	.	.			trans	-93.5	24.2	-178.2	-64.8	-12	0	0	0	113.1	T141	N117-T141 PolarHBondContact OD1-O 3.08Å
118	I	78.1	Confident	89.8	Confident	19 Å²	19	27 Å²	27	10%	0.097	14%	0.142	C	C	.	.	S	Bend	trans	-126.7	162.7	-179.9	58.8	160.8	0	0	0	109.9	Y84 I91 L93 F116 T120	Y84-I118 HydrophobicContact CD1-CD1 3.33Å; Y84-I118 HydrophobicContact CD1-CG1 3.96Å; Y84-I118 HydrophobicContact CD1-CG2 4.11Å; Y84-I118 HydrophobicContact CE1-CD1 3.62Å; Y84-I118 HydrophobicContact CG-CD1 4.43Å; I91-I118 HydrophobicContact CG2-CD1 3.88Å; L93-I118 HydrophobicContact CB-CD1 3.62Å; L93-I118 HydrophobicContact CB-CG1 4.23Å; L93-I118 HydrophobicContact CG-CD1 4.5Å; F116-I118 VanDerWaalsContact C-N 3.29Å; F116-I118 PolarHBondContact O-N 2.92Å; I118-T120 HydrophobicContact CG1-CG2 4.49Å; I118-T120 WeakPolarHBondContact O-CG2 3.47Å; I118-T120 PolarHBondContact O-N 3.43Å
119	N	78.3	Confident	90.3	Very high	103 Å²	103	25.5 Å²	25.5	55%	0.551	13%	0.132	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-60.8	126.6	174	-68.2	-24.1	0	0	0	109	N92 L93	N92-N119 CarbonylContact C-O 3.44Å; N92-N119 VanDerWaalsContact CA-O 3.28Å; N92-N119 WeakPolarHBondContact CA-O 3.28Å; N92-N119 WeakPolarHBondContact OD1-CB 3.45Å; L93-N119 PolarHBondContact N-O 3Å
120	T	75.2	Confident	90.4	Very high	18 Å²	18	26.1 Å²	26.1	11%	0.11	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	147.6	179.1	62.9	0	0	0	0	110.5	L93 F116 I118 L144 S145	L93-T120 HydrophobicContact CB-CG2 3.79Å; L93-T120 HydrophobicContact CD2-CG2 4.06Å; L93-T120 HydrophobicContact CG-CG2 4.5Å; L93-T120 CarbonylContact O-C 3.48Å; L93-T120 WeakPolarHBondContact O-CA 3.03Å; F116-T120 HydrophobicContact CB-CG2 4.19Å; I118-T120 HydrophobicContact CG1-CG2 4.49Å; I118-T120 WeakPolarHBondContact O-CG2 3.47Å; I118-T120 PolarHBondContact O-N 3.43Å; T120-L144 HydrophobicContact CG2-CD2 3.17Å; T120-L144 WeakPolarHBondContact OG1-CA 3.09Å; T120-L144 WeakPolarHBondContact OG1-CD2 3.16Å; T120-S145 PolarHBondContact OG1-N 3.37Å
121	H	81	Confident	90.4	Very high	109 Å²	109	24.3 Å²	24.3	51%	0.505	13%	0.129	S	C	.	.	P	Polyproline II helix	trans	-58.6	152.3	163.5	-171.4	-111.3	0	0	0	109.4	L93 L123	L93-H121 PolarHBondContact O-N 2.68Å; H121-L123 PolarHBondContact O-N 2.95Å; H121-L123 VanDerWaalsContact O-N 3.12Å
122	Q	89.8	Confident	90.1	Very high	70 Å²	70	27.7 Å²	27.7	33%	0.327	15%	0.146	S	C	.	.	P	Polyproline II helix	trans	-55.2	118.7	-179	-167.7	-179.3	21.3	0	0	110.8	S145 W146 D147	Q122-S145 CarbonylContact C-O 3.57Å; Q122-S145 WeakPolarHBondContact CA-O 3.43Å; Q122-W146 PolarHBondContact NE2-O 3.06Å; Q122-D147 HydrophobicContact CG-CB 4.04Å; Q122-D147 VanDerWaalsContact NE2-CA 3.25Å; Q122-D147 PolarHBondContact NE2-OD1 3.23Å
123	L	94.2	Very high	89.9	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.005	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-72.1	128.5	167.2	-74.7	100.7	0	0	0	108.3	I95 L114 H121 T127 L128 L144 S145 W146 D147 S150	I95-L123 HydrophobicContact CD1-CD1 4.26Å; I95-L123 HydrophobicContact CD1-CD2 3.89Å; I95-L123 HydrophobicContact CD1-CG 4.01Å; L114-L123 HydrophobicContact CD1-CD2 4.33Å; H121-L123 PolarHBondContact O-N 2.95Å; H121-L123 VanDerWaalsContact O-N 3.12Å; L123-T127 WeakPolarHBondContact CA-OG1 3.37Å; L123-L128 HydrophobicContact CD2-CD2 3.84Å; L123-L144 HydrophobicContact CD1-CB 3.7Å; L123-L144 HydrophobicContact CD1-CD1 3.71Å; L123-L144 HydrophobicContact CD1-CD2 3.73Å; L123-L144 HydrophobicContact CD1-CG 3.88Å; L123-S145 PolarHBondContact N-O 2.97Å; L123-W146 HydrophobicContact CB-CE3 3.82Å; L123-W146 HydrophobicContact CB-CZ3 3.88Å; L123-W146 HydrophobicContact CD2-CH2 4.37Å; L123-W146 HydrophobicContact CD2-CZ3 4.06Å; L123-W146 HydrophobicContact CG-CZ3 4.39Å; L123-W146 CarbonylContact O-C 3.27Å; L123-D147 VanDerWaalsContact O-CB 3.32Å; L123-D147 WeakPolarHBondContact O-CB 3.24Å; L123-D147 PolarHBondContact O-N 3.02Å; L123-S150 PolarHBondContact O-OG 3.23Å
124	N	95.4	Very high	89.9	Confident	25 Å²	25	27.5 Å²	27.5	13%	0.134	15%	0.148	C	C	.	.			trans	-131.4	177.1	178.5	61.5	37.8	0	0	0	110.4	L126 T127 L128 D147 P274	N124-L126 PolarHBondContact O-N 2.85Å; N124-L126 VanDerWaalsContact O-N 3.08Å; N124-L126 WeakPolarHBondContact OD1-CA 3.21Å; N124-L126 WeakPolarHBondContact OD1-CB 3.47Å; N124-L126 PolarHBondContact OD1-N 3.3Å; N124-T127 PolarHBondContact N-OG1 3.25Å; N124-T127 PolarHBondContact O-N 3.48Å; N124-T127 VanDerWaalsContact O-N 3.11Å; N124-T127 PolarHBondContact O-OG1 3.43Å; N124-T127 PolarHBondContact OD1-N 3.15Å; N124-L128 PolarHBondContact O-N 3.34Å; N124-D147 HydrophobicContact CB-CB 3.69Å; N124-P274 HydrophobicContact CB-CB 4.04Å; N124-P274 HydrophobicContact CB-CG 4.12Å
125	A	96.1	Very high	90	Very high	3 Å²	3	29.9 Å²	29.9	3%	0.025	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-35.7	-179.6	0	0	0	0	0	112.7	L128 A129 P274 L275 V278	A125-L128 CarbonylContact O-C 3.27Å; A125-L128 PolarHBondContact O-N 2.94Å; A125-A129 PolarHBondContact O-N 2.75Å; A125-A129 VanDerWaalsContact O-N 3.08Å; A125-P274 HydrophobicContact CB-CB 4.44Å; A125-L275 HydrophobicContact CB-CB 4.01Å; A125-L275 HydrophobicContact CB-CD1 4.02Å; A125-V278 HydrophobicContact CB-CG2 4.44Å; A125-V278 WeakPolarHBondContact O-CG2 3.36Å
126	L	95.3	Very high	90.3	Very high	19 Å²	19	31.2 Å²	31.2	10%	0.099	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-37.2	-178	-171.1	65.9	0	0	0	113	P97 W98 N124 L128 A129 P274 Q277 V278	P97-L126 HydrophobicContact CB-CD1 4.28Å; P97-L126 HydrophobicContact CB-CD2 3.84Å; P97-L126 HydrophobicContact CB-CG 3.71Å; P97-L126 HydrophobicContact CG-CD2 3.74Å; P97-L126 HydrophobicContact CG-CG 4.1Å; W98-L126 PolarHBondContact N-O 3.14Å; N124-L126 PolarHBondContact O-N 2.85Å; N124-L126 VanDerWaalsContact O-N 3.08Å; N124-L126 WeakPolarHBondContact OD1-CA 3.21Å; N124-L126 WeakPolarHBondContact OD1-CB 3.47Å; N124-L126 PolarHBondContact OD1-N 3.3Å; L126-L128 PolarHBondContact O-N 3.4Å; L126-A129 VanDerWaalsContact O-CB 3.27Å; L126-A129 WeakPolarHBondContact O-CB 3.31Å; L126-A129 PolarHBondContact O-N 2.82Å; L126-P274 HydrophobicContact CB-CB 3.91Å; L126-Q277 HydrophobicContact CD1-CB 4.19Å; L126-V278 HydrophobicContact CB-CG2 4.14Å; L126-V278 HydrophobicContact CD1-CG2 3.71Å
127	T	94.7	Very high	90.7	Very high	5 Å²	5	31.2 Å²	31.2	3%	0.031	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-29.9	172.7	58.6	0	0	0	0	112.5	I95 F100 L123 N124	I95-T127 HydrophobicContact CB-CG2 4.25Å; I95-T127 HydrophobicContact CG2-CG2 4.26Å; F100-T127 WeakPolarHBondContact CD2-O 3.35Å; L123-T127 WeakPolarHBondContact CA-OG1 3.37Å; N124-T127 PolarHBondContact N-OG1 3.25Å; N124-T127 PolarHBondContact O-N 3.48Å; N124-T127 VanDerWaalsContact O-N 3.11Å; N124-T127 PolarHBondContact O-OG1 3.43Å; N124-T127 PolarHBondContact OD1-N 3.15Å
128	L	95.3	Very high	91.3	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	6.8	-178.8	-62	-179.1	0	0	0	113.1	F100 L123 N124 A125 L126 M131 W146 F151 L154	F100-L128 HydrophobicContact CD2-CD2 4.36Å; F100-L128 HydrophobicContact CE2-CD2 4.3Å; L123-L128 HydrophobicContact CD2-CD2 3.84Å; N124-L128 PolarHBondContact O-N 3.34Å; A125-L128 CarbonylContact O-C 3.27Å; A125-L128 PolarHBondContact O-N 2.94Å; L126-L128 PolarHBondContact O-N 3.4Å; L128-M131 HydrophobicContact CB-CE 3.63Å; L128-M131 HydrophobicContact CD2-CE 3.6Å; L128-M131 HydrophobicContact CG-CE 4.12Å; L128-M131 WeakPolarHBondContact O-CE 3.39Å; L128-M131 WeakPolarHBondContact O-CG 3.4Å; L128-W146 HydrophobicContact CD1-CZ3 4.21Å; L128-F151 HydrophobicContact CD1-CD1 4.41Å; L128-F151 HydrophobicContact CD1-CE1 4.36Å; L128-L154 HydrophobicContact CB-CD2 4.32Å; L128-L154 HydrophobicContact CD1-CD1 4.34Å; L128-L154 WeakPolarHBondContact O-CD2 3.45Å
129	A	94.7	Very high	92.1	Very high	3 Å²	3	27.9 Å²	27.9	3%	0.025	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	150.2	-173.7	0	0	0	0	0	113.2	W98 A125 L126 M131 V278	W98-A129 HydrophobicContact CD2-CB 3.49Å; W98-A129 VanDerWaalsContact CD2-CB 3.49Å; W98-A129 HydrophobicContact CE3-CB 3.52Å; W98-A129 HydrophobicContact CG-CB 4.09Å; W98-A129 HydrophobicContact CH2-CB 4.01Å; W98-A129 HydrophobicContact CZ2-CB 3.99Å; W98-A129 HydrophobicContact CZ3-CB 3.79Å; A125-A129 PolarHBondContact O-N 2.75Å; A125-A129 VanDerWaalsContact O-N 3.08Å; L126-A129 VanDerWaalsContact O-CB 3.27Å; L126-A129 WeakPolarHBondContact O-CB 3.31Å; L126-A129 PolarHBondContact O-N 2.82Å; A129-M131 VanDerWaalsContact C-N 3.27Å; A129-M131 PolarHBondContact O-N 3.06Å; A129-V278 HydrophobicContact CB-CB 4.44Å; A129-V278 HydrophobicContact CB-CG1 4.02Å; A129-V278 HydrophobicContact CB-CG2 3.59Å
130	G	92.3	Very high	92.7	Very high	13 Å²	13	25.8 Å²	25.8	13%	0.134	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	8.2	178.3	0	0	0	0	0	114.7	D132	G130-D132 VanDerWaalsContact C-N 3.27Å; G130-D132 PolarHBondContact O-N 2.98Å
131	M	94.4	Very high	93.3	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	15%	0.146	C	C	.	.			trans	-91.7	46	175.4	-57.2	-163.6	-59	0	0	112	F100 F104 L112 L128 A129 G133 L134 L154	F100-M131 HydrophobicContact CB-CG 4Å; F100-M131 HydrophobicContact CB-SD 3.58Å; F100-M131 VanDerWaalsContact CB-SD 3.58Å; F100-M131 HydrophobicContact CD2-SD 4.19Å; F100-M131 HydrophobicContact CG-SD 4.14Å; F104-M131 HydrophobicContact CD2-CB 3.87Å; F104-M131 HydrophobicContact CD2-CG 3.55Å; F104-M131 HydrophobicContact CD2-SD 4.13Å; F104-M131 HydrophobicContact CE2-CB 4.04Å; F104-M131 HydrophobicContact CE2-CG 3.62Å; F104-M131 HydrophobicContact CE2-SD 3.55Å; F104-M131 VanDerWaalsContact CE2-SD 3.55Å; F104-M131 HydrophobicContact CG-CB 4.15Å; F104-M131 HydrophobicContact CG-CG 4.31Å; F104-M131 HydrophobicContact CZ-CB 4.44Å; F104-M131 HydrophobicContact CZ-CG 4.41Å; F104-M131 HydrophobicContact CZ-SD 4.16Å; L112-M131 HydrophobicContact CD2-CE 4.36Å; L112-M131 HydrophobicContact CD2-SD 3.69Å; L128-M131 HydrophobicContact CB-CE 3.63Å; L128-M131 HydrophobicContact CD2-CE 3.6Å; L128-M131 HydrophobicContact CG-CE 4.12Å; L128-M131 WeakPolarHBondContact O-CE 3.39Å; L128-M131 WeakPolarHBondContact O-CG 3.4Å; A129-M131 VanDerWaalsContact C-N 3.27Å; A129-M131 PolarHBondContact O-N 3.06Å; M131-G133 PolarHBondContact O-N 2.78Å; M131-L134 HydrophobicContact CB-CB 4.08Å; M131-L134 HydrophobicContact CB-CD2 4.37Å; M131-L134 HydrophobicContact CE-CD2 3.62Å; M131-L134 WeakPolarHBondContact O-CB 3.18Å; M131-L134 PolarHBondContact O-N 3.12Å; M131-L134 HydrophobicContact SD-CD2 4.18Å; M131-L154 HydrophobicContact CB-CD2 3.88Å; M131-L154 HydrophobicContact CE-CD1 4.37Å; M131-L154 HydrophobicContact CE-CD2 3.76Å
132	D	90.5	Very high	93.5	Very high	87 Å²	87	22.3 Å²	22.3	47%	0.465	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-30.7	-170.6	-59.1	-29	0	0	0	113	G130 L134 P155 N156	G130-D132 VanDerWaalsContact C-N 3.27Å; G130-D132 PolarHBondContact O-N 2.98Å; D132-L134 VanDerWaalsContact C-N 3.33Å; D132-P155 HydrophobicContact CB-CG 4.2Å; D132-N156 PolarHBondContact O-ND2 3.31Å
133	G	91.5	Very high	93.4	Very high	13 Å²	13	22.6 Å²	22.6	13%	0.134	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	0.3	177.4	0	0	0	0	0	115.3	M131 L135	M131-G133 PolarHBondContact O-N 2.78Å; G133-L135 PolarHBondContact O-N 2.79Å
134	L	96.1	Very high	93.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.125	C	C	.	.			trans	-71.6	119.1	-177	-176.4	65.4	0	0	0	111	F104 L112 M131 D132 N136 L137 L154 N156 L157	F104-L134 HydrophobicContact CD1-CB 4.47Å; F104-L134 HydrophobicContact CE1-CB 3.89Å; F104-L134 HydrophobicContact CE1-CD1 3.86Å; F104-L134 HydrophobicContact CE1-CG 4.46Å; F104-L134 HydrophobicContact CZ-CB 4.31Å; F104-L134 HydrophobicContact CZ-CD1 3.81Å; L112-L134 HydrophobicContact CB-CD1 3.63Å; M131-L134 HydrophobicContact CB-CB 4.08Å; M131-L134 HydrophobicContact CB-CD2 4.37Å; M131-L134 HydrophobicContact CE-CD2 3.62Å; M131-L134 WeakPolarHBondContact O-CB 3.18Å; M131-L134 PolarHBondContact O-N 3.12Å; M131-L134 HydrophobicContact SD-CD2 4.18Å; D132-L134 VanDerWaalsContact C-N 3.33Å; L134-N136 VanDerWaalsContact CD1-O 3.26Å; L134-N136 WeakPolarHBondContact CD1-O 3.5Å; L134-L137 HydrophobicContact CD2-CB 4.33Å; L134-L154 HydrophobicContact CD2-CD1 4.09Å; L134-L154 HydrophobicContact CD2-CD2 4.47Å; L134-N156 CarbonylContact O-C 3.52Å; L134-N156 VanDerWaalsContact O-C 3.27Å; L134-L157 HydrophobicContact CD2-CD1 4.46Å; L134-L157 HydrophobicContact CG-CD1 4.38Å; L134-L157 WeakPolarHBondContact O-CA 3.26Å; L134-L157 PolarHBondContact O-N 2.87Å
135	L	95.8	Very high	93	Very high	51 Å²	51	22.6 Å²	22.6	27%	0.267	13%	0.127	S	C	.	.			trans	-100.4	-36.9	176.2	-53.1	-179.4	0	0	0	111.5	N110 G133 N156 H158 E159	N110-L135 HydrophobicContact CB-CB 4.4Å; N110-L135 HydrophobicContact CB-CD1 3.92Å; N110-L135 HydrophobicContact CB-CG 3.93Å; N110-L135 PolarHBondContact O-N 2.76Å; G133-L135 PolarHBondContact O-N 2.79Å; L135-N156 HydrophobicContact CD2-CB 3.83Å; L135-N156 WeakPolarHBondContact CD2-O 3.4Å; L135-H158 WeakPolarHBondContact O-CA 3.08Å; L135-H158 PolarHBondContact O-N 2.73Å; L135-E159 PolarHBondContact O-N 2.03Å
136	N	96.5	Very high	92.9	Very high	39 Å²	39	22.6 Å²	22.6	21%	0.209	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	123.6	-172.8	-56.6	-42	0	0	0	111.1	N110 T111 L112 L134 E159	N110-N136 PolarHBondContact O-N 2.96Å; T111-N136 WeakPolarHBondContact CA-O 3.43Å; T111-N136 HydrophobicContact CG2-CB 3.76Å; T111-N136 PolarHBondContact OG1-ND2 2.81Å; T111-N136 VanDerWaalsContact OG1-ND2 3.12Å; L112-N136 PolarHBondContact N-O 2.87Å; L134-N136 VanDerWaalsContact CD1-O 3.26Å; L134-N136 WeakPolarHBondContact CD1-O 3.5Å; N136-E159 WeakPolarHBondContact CA-O 3.13Å; N136-E159 WeakPolarHBondContact OD1-CB 3.48Å; N136-E159 WeakPolarHBondContact OD1-CG 3.36Å
137	L	96.8	Very high	92.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	121.4	173.7	179.3	63.6	0	0	0	110.7	L112 L114 L134 W146 F151 L157 E159 I160 T161	L112-L137 HydrophobicContact CB-CD1 4.25Å; L112-L137 HydrophobicContact CD2-CD1 4.17Å; L112-L137 HydrophobicContact CG-CD1 4.24Å; L112-L137 WeakPolarHBondContact O-CA 3.02Å; L114-L137 HydrophobicContact CD1-CD1 4.15Å; L114-L137 HydrophobicContact CG-CD1 4.29Å; L134-L137 HydrophobicContact CD2-CB 4.33Å; L137-W146 HydrophobicContact CD2-CH2 4.15Å; L137-W146 HydrophobicContact CD2-CZ3 4.47Å; L137-F151 HydrophobicContact CD2-CD1 4.16Å; L137-F151 HydrophobicContact CD2-CE1 3.69Å; L137-L157 HydrophobicContact CB-CD1 3.96Å; L137-E159 PolarHBondContact N-O 2.93Å; L137-I160 HydrophobicContact CB-CG1 4.2Å; L137-I160 HydrophobicContact CD2-CD1 4.03Å; L137-I160 HydrophobicContact CD2-CG1 4.32Å; L137-I160 HydrophobicContact CG-CG1 4.42Å; L137-I160 CarbonylContact O-C 3.6Å; L137-I160 VanDerWaalsContact O-CA 3.31Å; L137-I160 WeakPolarHBondContact O-CA 3.09Å; L137-T161 PolarHBondContact O-N 2.79Å
138	L	96.1	Very high	93	Very high	25 Å²	25	23.3 Å²	23.3	13%	0.131	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	104.2	-179.3	-51.9	179.3	0	0	0	109.5	F78 T111 L112 Q113 L114	F78-L138 HydrophobicContact CE2-CD1 4.22Å; T111-L138 HydrophobicContact CG2-CD1 4.19Å; T111-L138 HydrophobicContact CG2-CG 4.47Å; L112-L138 PolarHBondContact O-N 2.88Å; Q113-L138 CarbonylContact C-O 3.04Å; Q113-L138 WeakPolarHBondContact CA-O 3.44Å; Q113-L138 HydrophobicContact CB-CB 4.09Å; Q113-L138 HydrophobicContact CG-CB 4.12Å; L114-L138 PolarHBondContact N-O 2.88Å
139	A	94.8	Very high	93.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	50.9	174.3	0	0	0	0	0	109.7	L144 W146 T161 L162 N163	A139-L144 HydrophobicContact CB-CD1 4.4Å; A139-W146 HydrophobicContact CB-CH2 4.19Å; A139-W146 HydrophobicContact CB-CZ2 3.64Å; A139-T161 CarbonylContact C-O 3.52Å; A139-T161 WeakPolarHBondContact CA-O 3.42Å; A139-T161 PolarHBondContact N-O 3.17Å; A139-L162 HydrophobicContact CB-CD2 4.06Å; A139-N163 PolarHBondContact O-N 3.31Å
140	R	89.9	Confident	93.2	Very high	58 Å²	58	23.3 Å²	23.3	22%	0.219	13%	0.131	C	C	.	.	S	Bend	trans	-68.2	-47.4	-173	-172.1	-162.1	169.7	166.6	-4.4	112.2	T161 N163 V184 Y218 I432	R140-T161 HydrophobicContact CB-CG2 4.29Å; R140-T161 HydrophobicContact CG-CG2 4.49Å; R140-N163 VanDerWaalsContact O-CB 3.29Å; R140-N163 WeakPolarHBondContact O-CB 3.42Å; R140-N163 PolarHBondContact O-ND2 3.3Å; R140-V184 HydrophobicContact CB-CG2 4.29Å; R140-V184 HydrophobicContact CG-CB 4.35Å; R140-V184 HydrophobicContact CG-CG1 4.48Å; R140-V184 HydrophobicContact CG-CG2 3.37Å; R140-Y218 PolarHBondContact NH2-OH 3.34Å; R140-I432 VanDerWaalsContact NH1-CG1 3.26Å
141	T	87.2	Confident	93.4	Very high	55 Å²	55	22.8 Å²	22.8	34%	0.337	13%	0.125	S	C	.	.	S	Bend	trans	-89.9	-11.6	-177.1	67.8	0	0	0	0	112.5	D115 N117 L143	D115-T141 WeakPolarHBondContact CA-OG1 3.26Å; D115-T141 WeakPolarHBondContact CB-OG1 3.01Å; D115-T141 VanDerWaalsContact CG-OG1 3.23Å; D115-T141 PolarHBondContact OD1-OG1 2.03Å; N117-T141 PolarHBondContact OD1-O 3.08Å; T141-L143 PolarHBondContact O-N 3.39Å
142	S	86.9	Confident	93.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.135	C	C	.	.			trans	-75.4	116.4	-172.8	-95.9	0	0	0	0	113.1	L114 F116 L144	L114-S142 WeakPolarHBondContact O-CB 3.46Å; L114-S142 PolarHBondContact O-OG 2.93Å; F116-S142 PolarHBondContact N-OG 3.45Å; F116-S142 WeakPolarHBondContact O-CA 3.5Å; S142-L144 PolarHBondContact O-N 3.16Å; S142-L144 VanDerWaalsContact O-N 3.13Å
143	L	87.1	Confident	93.4	Very high	76 Å²	76	21.6 Å²	21.6	40%	0.398	12%	0.124	S	C	.	.			trans	-88.4	51.1	174.8	-61	-178.1	0	0	0	111.6	F116 T141 K165	F116-L143 PolarHBondContact O-N 3.11Å; T141-L143 PolarHBondContact O-N 3.39Å; L143-K165 HydrophobicContact CD2-CB 3.78Å
144	L	88.3	Confident	93.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.12	C	C	.	.			trans	-79.8	152.3	-169.9	-62.2	173.1	0	0	0	113	L114 F116 T120 L123 A139 S142 W146 A166 V167	L114-L144 HydrophobicContact CB-CD1 4.49Å; L114-L144 HydrophobicContact CD1-CD1 4.27Å; F116-L144 HydrophobicContact CB-CD2 3.76Å; F116-L144 HydrophobicContact CD2-CD1 4.08Å; F116-L144 HydrophobicContact CD2-CD2 3.82Å; F116-L144 HydrophobicContact CG-CD2 4.27Å; T120-L144 HydrophobicContact CG2-CD2 3.17Å; T120-L144 WeakPolarHBondContact OG1-CA 3.09Å; T120-L144 WeakPolarHBondContact OG1-CD2 3.16Å; L123-L144 HydrophobicContact CD1-CB 3.7Å; L123-L144 HydrophobicContact CD1-CD1 3.71Å; L123-L144 HydrophobicContact CD1-CD2 3.73Å; L123-L144 HydrophobicContact CD1-CG 3.88Å; A139-L144 HydrophobicContact CB-CD1 4.4Å; S142-L144 PolarHBondContact O-N 3.16Å; S142-L144 VanDerWaalsContact O-N 3.13Å; L144-W146 HydrophobicContact CB-CZ2 4.14Å; L144-W146 HydrophobicContact CD1-CH2 4.01Å; L144-W146 HydrophobicContact CD1-CZ2 3.7Å; L144-W146 HydrophobicContact CG-CZ2 4.5Å; L144-A166 WeakPolarHBondContact O-CB 3.35Å; L144-V167 PolarHBondContact O-N 3.12Å
145	S	92.3	Very high	93.4	Very high	26 Å²	26	24.2 Å²	24.2	18%	0.182	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-87.7	126.7	163.1	-179.7	0	0	0	0	109.9	T120 Q122 L123 V167	T120-S145 PolarHBondContact OG1-N 3.37Å; Q122-S145 CarbonylContact C-O 3.57Å; Q122-S145 WeakPolarHBondContact CA-O 3.43Å; L123-S145 PolarHBondContact N-O 2.97Å; S145-V167 WeakPolarHBondContact CA-O 3.47Å
146	W	94.6	Very high	93.3	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.008	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-107.1	146.1	179.9	-62.9	100.1	0	0	0	111.7	Q122 L123 L128 L137 A139 L144 F151 L162 V167 F168 P169 L172	Q122-W146 PolarHBondContact NE2-O 3.06Å; L123-W146 HydrophobicContact CB-CE3 3.82Å; L123-W146 HydrophobicContact CB-CZ3 3.88Å; L123-W146 HydrophobicContact CD2-CH2 4.37Å; L123-W146 HydrophobicContact CD2-CZ3 4.06Å; L123-W146 HydrophobicContact CG-CZ3 4.39Å; L123-W146 CarbonylContact O-C 3.27Å; L128-W146 HydrophobicContact CD1-CZ3 4.21Å; L137-W146 HydrophobicContact CD2-CH2 4.15Å; L137-W146 HydrophobicContact CD2-CZ3 4.47Å; A139-W146 HydrophobicContact CB-CH2 4.19Å; A139-W146 HydrophobicContact CB-CZ2 3.64Å; L144-W146 HydrophobicContact CB-CZ2 4.14Å; L144-W146 HydrophobicContact CD1-CH2 4.01Å; L144-W146 HydrophobicContact CD1-CZ2 3.7Å; L144-W146 HydrophobicContact CG-CZ2 4.5Å; W146-F151 HydrophobicContact CD2-CE1 4.49Å; W146-F151 AromaticContact CD2-CZ 3.77Å; W146-F151 HydrophobicContact CD2-CZ 3.77Å; W146-F151 AromaticContact CE3-CE1 3.73Å; W146-F151 HydrophobicContact CE3-CE1 3.73Å; W146-F151 HydrophobicContact CE3-CE2 4.43Å; W146-F151 AromaticContact CE3-CZ 3.39Å; W146-F151 HydrophobicContact CE3-CZ 3.39Å; W146-F151 HydrophobicContact CG-CZ 4.44Å; W146-F151 HydrophobicContact CH2-CE1 4.13Å; W146-F151 HydrophobicContact CH2-CZ 4.22Å; W146-F151 AromaticContact CZ3-CE1 3.53Å; W146-F151 HydrophobicContact CZ3-CE1 3.53Å; W146-F151 AromaticContact CZ3-CZ 3.65Å; W146-F151 HydrophobicContact CZ3-CZ 3.65Å; W146-L162 HydrophobicContact CH2-CD2 4.3Å; W146-L162 HydrophobicContact CZ2-CD2 3.57Å; W146-V167 PolarHBondContact N-O 3.19Å; W146-F168 HydrophobicContact CB-CD1 4.49Å; W146-F168 AromaticContact CD1-CD1 3.82Å; W146-F168 AromaticContact CD1-CE1 3.55Å; W146-F168 HydrophobicContact CG-CD1 4.45Å; W146-F168 HydrophobicContact CG-CE1 4.41Å; W146-P169 WeakPolarHBondContact O-CD 3.49Å; W146-L172 HydrophobicContact CB-CD2 4.13Å
147	D	95.8	Very high	93.2	Very high	22 Å²	22	23.1 Å²	23.1	12%	0.118	13%	0.133	C	C	.	.			trans	-89.2	148.9	165.1	179.7	63.3	0	0	0	111.2	Q122 L123 N124 C149 S150 N272	Q122-D147 HydrophobicContact CG-CB 4.04Å; Q122-D147 VanDerWaalsContact NE2-CA 3.25Å; Q122-D147 PolarHBondContact NE2-OD1 3.23Å; L123-D147 VanDerWaalsContact O-CB 3.32Å; L123-D147 WeakPolarHBondContact O-CB 3.24Å; L123-D147 PolarHBondContact O-N 3.02Å; N124-D147 HydrophobicContact CB-CB 3.69Å; D147-C149 PolarHBondContact O-N 2.8Å; D147-C149 VanDerWaalsContact O-N 3.1Å; D147-C149 PolarHBondContact OD2-N 3.26Å; D147-C149 VanDerWaalsContact OD2-N 3.08Å; D147-S150 WeakPolarHBondContact CA-OG 3.35Å; D147-S150 WeakPolarHBondContact CB-OG 3.48Å; D147-S150 PolarHBondContact N-OG 2.7Å; D147-S150 VanDerWaalsContact N-OG 3.1Å; D147-S150 WeakPolarHBondContact O-CB 3.32Å; D147-S150 PolarHBondContact O-N 3.23Å; D147-S150 VanDerWaalsContact O-N 3.13Å; D147-S150 PolarHBondContact O-OG 3.44Å; D147-N272 PolarHBondContact OD2-ND2 3.33Å
148	S	97	Very high	93	Very high	18 Å²	18	26.1 Å²	26.1	13%	0.126	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-30	-176.8	-53.6	0	0	0	0	112.6	P169 F171 T173	S148-P169 VanDerWaalsContact OG-CB 3.29Å; S148-P169 WeakPolarHBondContact OG-CB 3.49Å; S148-P169 WeakPolarHBondContact OG-CG 3.26Å; S148-F171 VanDerWaalsContact CA-O 3.28Å; S148-F171 WeakPolarHBondContact CA-O 3.47Å; S148-F171 VanDerWaalsContact CB-CE2 3.41Å; S148-F171 VanDerWaalsContact CB-O 3.23Å; S148-F171 WeakPolarHBondContact CB-O 3.48Å; S148-F171 PolarHBondContact OG-O 2.76Å; S148-T173 PolarHBondContact O-N 3.28Å
149	C	97.1	Very high	92.9	Very high	4 Å²	4	27.8 Å²	27.8	3%	0.027	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	19.5	-175.3	-61.3	0	0	0	0	113.1	D147 F151 I152 C269 N272	D147-C149 PolarHBondContact O-N 2.8Å; D147-C149 VanDerWaalsContact O-N 3.1Å; D147-C149 PolarHBondContact OD2-N 3.26Å; D147-C149 VanDerWaalsContact OD2-N 3.08Å; C149-F151 VanDerWaalsContact C-N 3.27Å; C149-F151 PolarHBondContact O-N 3.39Å; C149-I152 HydrophobicContact CB-CG2 4.17Å; C149-I152 WeakPolarHBondContact O-CG2 2.97Å; C149-C269 VanDerWaalsContact CA-SG 3.53Å; C149-C269 HydrophobicContact CB-CB 3.77Å; C149-C269 WeakPolarHBondContact CB-SG 3.43Å; C149-C269 VanDerWaalsContact SG-CA 3.51Å; C149-C269 WeakPolarHBondContact SG-CB 3.23Å; C149-C269 CovalentContact SG-SG 2.03Å; C149-C269 PolarHBondContact SG-SG 3.33Å; C149-N272 HydrophobicContact CB-CB 3.87Å; C149-N272 VanDerWaalsContact CB-CG 3.47Å; C149-N272 WeakPolarHBondContact CB-ND2 3.25Å
150	S	95.5	Very high	93	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-39.7	-178.8	-57.4	0	0	0	0	113.1	L123 D147	L123-S150 PolarHBondContact O-OG 3.23Å; D147-S150 WeakPolarHBondContact CA-OG 3.35Å; D147-S150 WeakPolarHBondContact CB-OG 3.48Å; D147-S150 PolarHBondContact N-OG 2.7Å; D147-S150 VanDerWaalsContact N-OG 3.1Å; D147-S150 WeakPolarHBondContact O-CB 3.32Å; D147-S150 PolarHBondContact O-N 3.23Å; D147-S150 VanDerWaalsContact O-N 3.13Å; D147-S150 PolarHBondContact O-OG 3.44Å
151	F	96.4	Very high	93.2	Very high	1 Å²	1	25.2 Å²	25.2	0%	0.004	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-22.5	-166.3	-50.8	-58.5	0	0	0	114.2	L128 L137 W146 C149 G153 L154 L157 I160 L162 L172 F174	L128-F151 HydrophobicContact CD1-CD1 4.41Å; L128-F151 HydrophobicContact CD1-CE1 4.36Å; L137-F151 HydrophobicContact CD2-CD1 4.16Å; L137-F151 HydrophobicContact CD2-CE1 3.69Å; W146-F151 HydrophobicContact CD2-CE1 4.49Å; W146-F151 AromaticContact CD2-CZ 3.77Å; W146-F151 HydrophobicContact CD2-CZ 3.77Å; W146-F151 AromaticContact CE3-CE1 3.73Å; W146-F151 HydrophobicContact CE3-CE1 3.73Å; W146-F151 HydrophobicContact CE3-CE2 4.43Å; W146-F151 AromaticContact CE3-CZ 3.39Å; W146-F151 HydrophobicContact CE3-CZ 3.39Å; W146-F151 HydrophobicContact CG-CZ 4.44Å; W146-F151 HydrophobicContact CH2-CE1 4.13Å; W146-F151 HydrophobicContact CH2-CZ 4.22Å; W146-F151 AromaticContact CZ3-CE1 3.53Å; W146-F151 HydrophobicContact CZ3-CE1 3.53Å; W146-F151 AromaticContact CZ3-CZ 3.65Å; W146-F151 HydrophobicContact CZ3-CZ 3.65Å; C149-F151 VanDerWaalsContact C-N 3.27Å; C149-F151 PolarHBondContact O-N 3.39Å; F151-G153 PolarHBondContact O-N 3.17Å; F151-L154 HydrophobicContact CD1-CD1 4.29Å; F151-L154 WeakPolarHBondContact O-CB 3.48Å; F151-L154 PolarHBondContact O-N 3.41Å; F151-L157 HydrophobicContact CB-CD2 3.97Å; F151-L157 HydrophobicContact CD1-CD2 4.27Å; F151-L157 HydrophobicContact CG-CD2 4.38Å; F151-I160 HydrophobicContact CD1-CD1 3.58Å; F151-I160 HydrophobicContact CD2-CD1 4.03Å; F151-I160 HydrophobicContact CE1-CD1 3.28Å; F151-I160 HydrophobicContact CE2-CD1 3.74Å; F151-I160 HydrophobicContact CG-CD1 3.95Å; F151-I160 HydrophobicContact CZ-CD1 3.36Å; F151-L162 HydrophobicContact CE2-CD1 4.22Å; F151-L162 HydrophobicContact CZ-CD1 4.2Å; F151-L162 HydrophobicContact CZ-CD2 4.27Å; F151-L172 HydrophobicContact CE2-CD1 4.16Å; F151-L172 HydrophobicContact CE2-CD2 4.06Å; F151-F174 HydrophobicContact CB-CD1 3.82Å; F151-F174 HydrophobicContact CB-CE1 4.06Å; F151-F174 AromaticContact CD2-CD1 3.98Å; F151-F174 HydrophobicContact CD2-CD1 3.98Å; F151-F174 AromaticContact CD2-CE1 3.35Å; F151-F174 HydrophobicContact CD2-CE1 3.35Å; F151-F174 AromaticContact CD2-CZ 3.84Å; F151-F174 HydrophobicContact CD2-CZ 3.84Å; F151-F174 HydrophobicContact CE2-CE1 4.01Å; F151-F174 HydrophobicContact CE2-CZ 4.24Å; F151-F174 HydrophobicContact CG-CD1 4.15Å; F151-F174 AromaticContact CG-CE1 3.86Å; F151-F174 HydrophobicContact CG-CE1 3.86Å
152	I	94.4	Very high	93.7	Very high	41 Å²	41	22.6 Å²	22.6	21%	0.21	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.9	177.8	-164.2	170.3	0	0	0	112.2	C149 L154 T173 V204 C269 L275	C149-I152 HydrophobicContact CB-CG2 4.17Å; C149-I152 WeakPolarHBondContact O-CG2 2.97Å; I152-L154 PolarHBondContact O-N 3Å; I152-T173 HydrophobicContact CB-CG2 4.35Å; I152-T173 HydrophobicContact CD1-CG2 3.84Å; I152-T173 PolarHBondContact N-O 2.83Å; I152-V204 HydrophobicContact CD1-CG2 4.2Å; I152-C269 HydrophobicContact CD1-CB 4.33Å; I152-C269 HydrophobicContact CG2-CB 4.02Å; I152-L275 HydrophobicContact CG2-CD1 4.08Å; I152-L275 HydrophobicContact CG2-CD2 3.54Å; I152-L275 HydrophobicContact CG2-CG 4.44Å
153	G	91.8	Very high	94	Very high	23 Å²	23	22.9 Å²	22.9	24%	0.237	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-6.2	173.3	0	0	0	0	0	114.7	F151 P155	F151-G153 PolarHBondContact O-N 3.17Å; G153-P155 WeakPolarHBondContact O-CD 3.4Å
154	L	95.1	Very high	94.4	Very high	8 Å²	8	19.3 Å²	19.3	4%	0.042	11%	0.111	C	C	.	.			trans	-101.1	98.3	-179.9	-61.1	173.3	0	0	0	109.6	L128 M131 L134 F151 I152 N156 L157	L128-L154 HydrophobicContact CB-CD2 4.32Å; L128-L154 HydrophobicContact CD1-CD1 4.34Å; L128-L154 WeakPolarHBondContact O-CD2 3.45Å; M131-L154 HydrophobicContact CB-CD2 3.88Å; M131-L154 HydrophobicContact CE-CD1 4.37Å; M131-L154 HydrophobicContact CE-CD2 3.76Å; L134-L154 HydrophobicContact CD2-CD1 4.09Å; L134-L154 HydrophobicContact CD2-CD2 4.47Å; F151-L154 HydrophobicContact CD1-CD1 4.29Å; F151-L154 WeakPolarHBondContact O-CB 3.48Å; F151-L154 PolarHBondContact O-N 3.41Å; I152-L154 PolarHBondContact O-N 3Å; L154-N156 VanDerWaalsContact C-N 3.33Å; L154-N156 PolarHBondContact O-N 3.01Å; L154-L157 HydrophobicContact CB-CB 3.89Å; L154-L157 HydrophobicContact CB-CD2 4.49Å; L154-L157 HydrophobicContact CD1-CD2 4.08Å; L154-L157 PolarHBondContact O-N 2.96Å
155	P	91.2	Very high	94.6	Very high	59 Å²	59	25.2 Å²	25.2	38%	0.383	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-28.8	-164	25.5	-35.1	0	0	0	114	D132 G153 F177	D132-P155 HydrophobicContact CB-CG 4.2Å; G153-P155 WeakPolarHBondContact O-CD 3.4Å; P155-F177 WeakPolarHBondContact O-CD2 2.96Å
156	N	93.9	Very high	94.6	Very high	61 Å²	61	24.4 Å²	24.4	33%	0.326	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	13.1	-175.2	-63.6	-51.2	0	0	0	113.5	D132 L134 L135 L154 H158	D132-N156 PolarHBondContact O-ND2 3.31Å; L134-N156 CarbonylContact O-C 3.52Å; L134-N156 VanDerWaalsContact O-C 3.27Å; L135-N156 HydrophobicContact CD2-CB 3.83Å; L135-N156 WeakPolarHBondContact CD2-O 3.4Å; L154-N156 VanDerWaalsContact C-N 3.33Å; L154-N156 PolarHBondContact O-N 3.01Å; N156-H158 PolarHBondContact O-CD2 3.28Å; N156-H158 VanDerWaalsContact O-CD2 3.29Å; N156-H158 PolarHBondContact O-N 2.89Å; N156-H158 VanDerWaalsContact O-N 3.17Å
157	L	94.8	Very high	94.5	Very high	7 Å²	7	28.4 Å²	28.4	4%	0.037	16%	0.156	C	C	.	.			trans	-65.3	117.7	-178	-175	71.3	0	0	0	110.6	L134 L137 F151 L154 F177 I178	L134-L157 HydrophobicContact CD2-CD1 4.46Å; L134-L157 HydrophobicContact CG-CD1 4.38Å; L134-L157 WeakPolarHBondContact O-CA 3.26Å; L134-L157 PolarHBondContact O-N 2.87Å; L137-L157 HydrophobicContact CB-CD1 3.96Å; F151-L157 HydrophobicContact CB-CD2 3.97Å; F151-L157 HydrophobicContact CD1-CD2 4.27Å; F151-L157 HydrophobicContact CG-CD2 4.38Å; L154-L157 HydrophobicContact CB-CB 3.89Å; L154-L157 HydrophobicContact CB-CD2 4.49Å; L154-L157 HydrophobicContact CD1-CD2 4.08Å; L154-L157 PolarHBondContact O-N 2.96Å; L157-F177 CarbonylContact O-C 3.57Å; L157-F177 VanDerWaalsContact O-C 3.26Å; L157-I178 HydrophobicContact CD2-CD1 4.32Å; L157-I178 HydrophobicContact CG-CD1 4.26Å; L157-I178 WeakPolarHBondContact O-CA 3.39Å; L157-I178 PolarHBondContact O-N 3.05Å
158	H	93.4	Very high	94.4	Very high	62 Å²	62	28.9 Å²	28.9	29%	0.287	16%	0.157	S	C	.	.			trans	-103	-44.5	179.6	-76.2	-64.5	0	0	0	112.9	L135 N156 F177 I178 T179 L180	L135-H158 WeakPolarHBondContact O-CA 3.08Å; L135-H158 PolarHBondContact O-N 2.73Å; N156-H158 PolarHBondContact O-CD2 3.28Å; N156-H158 VanDerWaalsContact O-CD2 3.29Å; N156-H158 PolarHBondContact O-N 2.89Å; N156-H158 VanDerWaalsContact O-N 3.17Å; H158-F177 PolarHBondContact ND1-O 3.3Å; H158-I178 WeakPolarHBondContact O-CD1 3.3Å; H158-T179 PolarHBondContact O-N 2.85Å; H158-T179 PolarHBondContact O-OG1 3.03Å; H158-L180 PolarHBondContact O-N 3.47Å
159	E	94.4	Very high	94.3	Very high	60 Å²	60	29.4 Å²	29.4	28%	0.28	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	138.9	-177.4	-53.9	-160.2	-175.1	0	0	112	L135 N136 L137 L180 R182	L135-E159 PolarHBondContact O-N 2.03Å; N136-E159 WeakPolarHBondContact CA-O 3.13Å; N136-E159 WeakPolarHBondContact OD1-CB 3.48Å; N136-E159 WeakPolarHBondContact OD1-CG 3.36Å; L137-E159 PolarHBondContact N-O 2.93Å; E159-L180 WeakPolarHBondContact CA-O 3.24Å; E159-L180 HydrophobicContact CB-CB 4.45Å; E159-L180 HydrophobicContact CG-CB 4.04Å; E159-R182 IonicContact OE2-CZ 3.61Å; E159-R182 IonicContact OE2-NH1 2.77Å; E159-R182 PolarHBondContact OE2-NH1 2.81Å; E159-R182 IonicContact OE2-NH2 3.49Å; E159-R182 PolarHBondContact OE2-NH2 3.25Å
160	I	95.4	Very high	94.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	138.7	172.1	-165.6	171.3	0	0	0	111.3	L137 F151 L162 F174 I178 L180 I181 R182	L137-I160 HydrophobicContact CB-CG1 4.2Å; L137-I160 HydrophobicContact CD2-CD1 4.03Å; L137-I160 HydrophobicContact CD2-CG1 4.32Å; L137-I160 HydrophobicContact CG-CG1 4.42Å; L137-I160 CarbonylContact O-C 3.6Å; L137-I160 VanDerWaalsContact O-CA 3.31Å; L137-I160 WeakPolarHBondContact O-CA 3.09Å; F151-I160 HydrophobicContact CD1-CD1 3.58Å; F151-I160 HydrophobicContact CD2-CD1 4.03Å; F151-I160 HydrophobicContact CE1-CD1 3.28Å; F151-I160 HydrophobicContact CE2-CD1 3.74Å; F151-I160 HydrophobicContact CG-CD1 3.95Å; F151-I160 HydrophobicContact CZ-CD1 3.36Å; I160-L162 HydrophobicContact CD1-CD1 3.99Å; I160-L162 HydrophobicContact CD1-CD2 3.77Å; I160-L162 HydrophobicContact CD1-CG 3.98Å; I160-L162 HydrophobicContact CG1-CD1 4.42Å; I160-L162 HydrophobicContact CG1-CD2 3.85Å; I160-L162 HydrophobicContact CG1-CG 3.94Å; I160-F174 HydrophobicContact CD1-CE1 4.14Å; I160-F174 HydrophobicContact CG2-CE1 3.93Å; I160-I178 HydrophobicContact CB-CD1 4.48Å; I160-I178 HydrophobicContact CG2-CD1 4.07Å; I160-L180 PolarHBondContact N-O 2.93Å; I160-I181 HydrophobicContact CG2-CB 4.01Å; I160-I181 HydrophobicContact CG2-CG1 3.8Å; I160-I181 HydrophobicContact CG2-CG2 3.84Å; I160-R182 PolarHBondContact O-N 3.01Å
161	T	95.7	Very high	94.3	Very high	4 Å²	4	36 Å²	36	3%	0.025	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	121.9	171.8	-57.7	0	0	0	0	109.3	L137 A139 R140 R182 V184	L137-T161 PolarHBondContact O-N 2.79Å; A139-T161 CarbonylContact C-O 3.52Å; A139-T161 WeakPolarHBondContact CA-O 3.42Å; A139-T161 PolarHBondContact N-O 3.17Å; R140-T161 HydrophobicContact CB-CG2 4.29Å; R140-T161 HydrophobicContact CG-CG2 4.49Å; T161-R182 CarbonylContact C-O 3.49Å; T161-R182 WeakPolarHBondContact CA-O 3.28Å; T161-R182 HydrophobicContact CG2-CB 4.2Å; T161-V184 HydrophobicContact CG2-CG1 3.88Å; T161-V184 HydrophobicContact CG2-CG2 4.43Å
162	L	95.8	Very high	94.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	154.5	-177.6	-58.4	177.8	0	0	0	110.4	A139 W146 F151 I160 F168 L172 R182 F183 V184	A139-L162 HydrophobicContact CB-CD2 4.06Å; W146-L162 HydrophobicContact CH2-CD2 4.3Å; W146-L162 HydrophobicContact CZ2-CD2 3.57Å; F151-L162 HydrophobicContact CE2-CD1 4.22Å; F151-L162 HydrophobicContact CZ-CD1 4.2Å; F151-L162 HydrophobicContact CZ-CD2 4.27Å; I160-L162 HydrophobicContact CD1-CD1 3.99Å; I160-L162 HydrophobicContact CD1-CD2 3.77Å; I160-L162 HydrophobicContact CD1-CG 3.98Å; I160-L162 HydrophobicContact CG1-CD1 4.42Å; I160-L162 HydrophobicContact CG1-CD2 3.85Å; I160-L162 HydrophobicContact CG1-CG 3.94Å; L162-F168 HydrophobicContact CB-CE1 4.34Å; L162-F168 HydrophobicContact CB-CZ 4.12Å; L162-F168 HydrophobicContact CD1-CE1 3.91Å; L162-F168 HydrophobicContact CD1-CZ 4.44Å; L162-L172 HydrophobicContact CD1-CD1 3.86Å; L162-R182 PolarHBondContact N-O 3.17Å; L162-F183 HydrophobicContact CB-CD1 4.02Å; L162-F183 HydrophobicContact CB-CE1 4.29Å; L162-F183 HydrophobicContact CD1-CD1 4.48Å; L162-F183 HydrophobicContact CD1-CE1 3.91Å; L162-F183 CarbonylContact O-C 3.6Å; L162-F183 VanDerWaalsContact O-CA 3.3Å; L162-F183 WeakPolarHBondContact O-CA 3.44Å; L162-V184 WeakPolarHBondContact O-CG2 3.07Å; L162-V184 PolarHBondContact O-N 3.5Å
163	N	94.2	Very high	94.5	Very high	6 Å²	6	34 Å²	34	3%	0.032	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	129.8	169.9	-159.5	-55.8	0	0	0	111	A139 R140 K165 A166 F168 D185	A139-N163 PolarHBondContact O-N 3.31Å; R140-N163 VanDerWaalsContact O-CB 3.29Å; R140-N163 WeakPolarHBondContact O-CB 3.42Å; R140-N163 PolarHBondContact O-ND2 3.3Å; N163-K165 PolarHBondContact O-N 2.87Å; N163-K165 VanDerWaalsContact OD1-CB 3.27Å; N163-K165 WeakPolarHBondContact OD1-CB 3.34Å; N163-K165 PolarHBondContact OD1-N 3.19Å; N163-A166 HydrophobicContact CB-CB 4.35Å; N163-A166 WeakPolarHBondContact O-CB 3.23Å; N163-A166 PolarHBondContact O-N 2.9Å; N163-F168 VanDerWaalsContact O-CE2 3.28Å; N163-F168 WeakPolarHBondContact O-CE2 3.5Å; N163-F168 WeakPolarHBondContact O-CZ 3.46Å; N163-D185 PolarHBondContact ND2-OD2 3.45Å
164	C	94.4	Very high	94.6	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.007	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.6	174.1	-99.8	0	0	0	0	113.4	A166 F183 V184 C186 V189	C164-A166 VanDerWaalsContact C-N 3.32Å; C164-F183 WeakPolarHBondContact SG-CB 3.22Å; C164-V184 VanDerWaalsContact CB-O 3.29Å; C164-V184 WeakPolarHBondContact CB-O 3.38Å; C164-V184 PolarHBondContact N-O 2.92Å; C164-C186 VanDerWaalsContact CB-CA 3.4Å; C164-C186 HydrophobicContact CB-CB 3.68Å; C164-C186 WeakPolarHBondContact CB-SG 3.46Å; C164-C186 VanDerWaalsContact SG-CA 3.55Å; C164-C186 WeakPolarHBondContact SG-CB 3.33Å; C164-C186 CovalentContact SG-SG 2.03Å; C164-C186 PolarHBondContact SG-SG 3.36Å; C164-V189 HydrophobicContact CB-CG2 4.15Å
165	K	92.9	Very high	94.5	Very high	125 Å²	125	33.5 Å²	33.5	54%	0.543	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-0.6	176.1	-57.3	174.2	-177.4	172.2	0	113.1	L143 N163 D185 V189	L143-K165 HydrophobicContact CD2-CB 3.78Å; N163-K165 PolarHBondContact O-N 2.87Å; N163-K165 VanDerWaalsContact OD1-CB 3.27Å; N163-K165 WeakPolarHBondContact OD1-CB 3.34Å; N163-K165 PolarHBondContact OD1-N 3.19Å; K165-D185 WeakPolarHBondContact CE-O 3.43Å; K165-V189 HydrophobicContact CG-CG2 3.88Å
166	A	93	Very high	94.4	Very high	8 Å²	8	32.6 Å²	32.6	7%	0.066	17%	0.172	C	C	.	.	S	Bend	trans	-66	162.7	170.9	0	0	0	0	0	110.8	L144 N163 C164 F168	L144-A166 WeakPolarHBondContact O-CB 3.35Å; N163-A166 HydrophobicContact CB-CB 4.35Å; N163-A166 WeakPolarHBondContact O-CB 3.23Å; N163-A166 PolarHBondContact O-N 2.9Å; C164-A166 VanDerWaalsContact C-N 3.32Å; A166-F168 HydrophobicContact CB-CE1 4.17Å; A166-F168 HydrophobicContact CB-CE2 4.02Å; A166-F168 HydrophobicContact CB-CZ 3.74Å; A166-F168 WeakPolarHBondContact O-CD2 3.05Å
167	V	93	Very high	94.3	Very high	86 Å²	86	34.4 Å²	34.4	52%	0.521	18%	0.177	S	C	.	.	B	Isolated β-bridge	trans	-89.3	112.8	178.7	179.8	0	0	0	0	108.8	L144 S145 W146	L144-V167 PolarHBondContact O-N 3.12Å; S145-V167 WeakPolarHBondContact CA-O 3.47Å; W146-V167 PolarHBondContact N-O 3.19Å
168	F	94.1	Very high	94.1	Very high	32 Å²	32	34.2 Å²	34.2	14%	0.14	18%	0.176	C	C	.	.			trans	-107.8	148.6	-178.5	-62.8	-65.2	0	0	0	112.7	W146 L162 N163 A166 L172 F183 L191 I209	W146-F168 HydrophobicContact CB-CD1 4.49Å; W146-F168 AromaticContact CD1-CD1 3.82Å; W146-F168 AromaticContact CD1-CE1 3.55Å; W146-F168 HydrophobicContact CG-CD1 4.45Å; W146-F168 HydrophobicContact CG-CE1 4.41Å; L162-F168 HydrophobicContact CB-CE1 4.34Å; L162-F168 HydrophobicContact CB-CZ 4.12Å; L162-F168 HydrophobicContact CD1-CE1 3.91Å; L162-F168 HydrophobicContact CD1-CZ 4.44Å; N163-F168 VanDerWaalsContact O-CE2 3.28Å; N163-F168 WeakPolarHBondContact O-CE2 3.5Å; N163-F168 WeakPolarHBondContact O-CZ 3.46Å; A166-F168 HydrophobicContact CB-CE1 4.17Å; A166-F168 HydrophobicContact CB-CE2 4.02Å; A166-F168 HydrophobicContact CB-CZ 3.74Å; A166-F168 WeakPolarHBondContact O-CD2 3.05Å; F168-L172 HydrophobicContact CD1-CD1 3.85Å; F168-L172 HydrophobicContact CE1-CD1 4.02Å; F168-F183 HydrophobicContact CE1-CE1 4.11Å; F168-F183 HydrophobicContact CE2-CD1 4.34Å; F168-F183 HydrophobicContact CE2-CE1 4.44Å; F168-F183 AromaticContact CZ-CD1 3.89Å; F168-F183 HydrophobicContact CZ-CD1 3.89Å; F168-F183 AromaticContact CZ-CE1 3.87Å; F168-F183 HydrophobicContact CZ-CE1 3.87Å; F168-L191 HydrophobicContact CD2-CD1 4.32Å; F168-I209 HydrophobicContact CB-CD1 3.53Å; F168-I209 HydrophobicContact CB-CG2 4.27Å; F168-I209 HydrophobicContact CD1-CD1 3.96Å; F168-I209 HydrophobicContact CD2-CD1 4.29Å; F168-I209 HydrophobicContact CG-CD1 3.67Å
169	P	94.5	Very high	94	Very high	29 Å²	29	33.8 Å²	33.8	19%	0.188	18%	0.178	C	C	.	.			trans	-75	-178.8	163.5	34.8	-34.2	0	0	0	110.4	W146 S148 F171 L172	W146-P169 WeakPolarHBondContact O-CD 3.49Å; S148-P169 VanDerWaalsContact OG-CB 3.29Å; S148-P169 WeakPolarHBondContact OG-CB 3.49Å; S148-P169 WeakPolarHBondContact OG-CG 3.26Å; P169-F171 VanDerWaalsContact CG-O 3.28Å; P169-F171 WeakPolarHBondContact CG-O 3.34Å; P169-F171 PolarHBondContact O-N 3.26Å; P169-L172 HydrophobicContact CG-CD2 3.86Å
170	E	95.3	Very high	93.8	Very high	127 Å²	127	31.7 Å²	31.7	59%	0.593	17%	0.168	S	C	*	.	S	Bend	trans	-63.3	-20.3	178.4	-64.1	-164.8	-172.1	0	0	114.1	I209 R210	E170-I209 PolarHBondContact O-N 2.84Å; E170-I209 VanDerWaalsContact O-O 3.1Å; E170-R210 IonicContact OE2-NH1 3.36Å; E170-R210 PolarHBondContact OE2-NH1 2.67Å
171	F	96.6	Very high	93.8	Very high	15 Å²	15	31.7 Å²	31.7	7%	0.066	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	151.4	177.7	62	-89.9	0	0	0	112.2	S148 P169 V206 I207 R208 E266 M267	S148-F171 VanDerWaalsContact CA-O 3.28Å; S148-F171 WeakPolarHBondContact CA-O 3.47Å; S148-F171 VanDerWaalsContact CB-CE2 3.41Å; S148-F171 VanDerWaalsContact CB-O 3.23Å; S148-F171 WeakPolarHBondContact CB-O 3.48Å; S148-F171 PolarHBondContact OG-O 2.76Å; P169-F171 VanDerWaalsContact CG-O 3.28Å; P169-F171 WeakPolarHBondContact CG-O 3.34Å; P169-F171 PolarHBondContact O-N 3.26Å; F171-V206 HydrophobicContact CB-CG1 3.79Å; F171-V206 HydrophobicContact CD2-CG1 4.19Å; F171-V206 HydrophobicContact CG-CG1 4.28Å; F171-I207 CarbonylContact C-O 3.5Å; F171-I207 WeakPolarHBondContact CA-O 3.4Å; F171-R208 HydrophobicContact CB-CG 4.4Å; F171-E266 HydrophobicContact CE1-CB 4.42Å; F171-E266 HydrophobicContact CZ-CB 3.83Å; F171-M267 HydrophobicContact CB-CE 4.42Å; F171-M267 HydrophobicContact CD1-CE 3.8Å; F171-M267 HydrophobicContact CD1-CG 4.05Å; F171-M267 HydrophobicContact CD2-CB 4.45Å; F171-M267 HydrophobicContact CD2-CG 3.81Å; F171-M267 HydrophobicContact CE1-CE 4.32Å; F171-M267 HydrophobicContact CE1-CG 4.1Å; F171-M267 VanDerWaalsContact CE2-CA 3.49Å; F171-M267 HydrophobicContact CE2-CB 4.28Å; F171-M267 HydrophobicContact CE2-CG 3.87Å; F171-M267 HydrophobicContact CG-CE 4.13Å; F171-M267 HydrophobicContact CG-CG 3.92Å; F171-M267 HydrophobicContact CZ-CG 4.02Å
172	L	97.2	Very high	93.7	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	132.9	170.5	-64.2	173	0	0	0	109.6	W146 F151 L162 F168 P169 F174 F183 V206 I207 I209	W146-L172 HydrophobicContact CB-CD2 4.13Å; F151-L172 HydrophobicContact CE2-CD1 4.16Å; F151-L172 HydrophobicContact CE2-CD2 4.06Å; L162-L172 HydrophobicContact CD1-CD1 3.86Å; F168-L172 HydrophobicContact CD1-CD1 3.85Å; F168-L172 HydrophobicContact CE1-CD1 4.02Å; P169-L172 HydrophobicContact CG-CD2 3.86Å; L172-F174 HydrophobicContact CB-CE2 3.6Å; L172-F174 HydrophobicContact CB-CZ 3.73Å; L172-F174 HydrophobicContact CD1-CZ 4.24Å; L172-F174 WeakPolarHBondContact O-CE2 3.37Å; L172-F183 HydrophobicContact CD1-CE1 4.23Å; L172-F183 HydrophobicContact CD1-CZ 4.32Å; L172-V206 CarbonylContact O-C 3.56Å; L172-V206 WeakPolarHBondContact O-CA 3.36Å; L172-I207 PolarHBondContact N-O 3.36Å; L172-I207 PolarHBondContact O-N 3.42Å; L172-I209 HydrophobicContact CD1-CD1 3.85Å; L172-I209 HydrophobicContact CG-CD1 3.86Å
173	T	97	Very high	93.6	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	133.6	-178.4	-59.8	0	0	0	0	111.1	S148 I152 V204 V206 M267 C269	S148-T173 PolarHBondContact O-N 3.28Å; I152-T173 HydrophobicContact CB-CG2 4.35Å; I152-T173 HydrophobicContact CD1-CG2 3.84Å; I152-T173 PolarHBondContact N-O 2.83Å; T173-V204 HydrophobicContact CG2-CG1 3.49Å; T173-V204 VanDerWaalsContact CG2-CG1 3.49Å; T173-V206 HydrophobicContact CG2-CG2 4.37Å; T173-M267 WeakPolarHBondContact CG2-O 3.37Å; T173-M267 PolarHBondContact OG1-O 2.99Å; T173-C269 VanDerWaalsContact CB-SG 3.59Å
174	F	95.6	Very high	93.6	Very high	1 Å²	1	32.8 Å²	32.8	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	148.8	-177.2	-54.8	-89.6	0	0	0	111	F151 I160 L172 I178 I181 Y205 I207	F151-F174 HydrophobicContact CB-CD1 3.82Å; F151-F174 HydrophobicContact CB-CE1 4.06Å; F151-F174 AromaticContact CD2-CD1 3.98Å; F151-F174 HydrophobicContact CD2-CD1 3.98Å; F151-F174 AromaticContact CD2-CE1 3.35Å; F151-F174 HydrophobicContact CD2-CE1 3.35Å; F151-F174 AromaticContact CD2-CZ 3.84Å; F151-F174 HydrophobicContact CD2-CZ 3.84Å; F151-F174 HydrophobicContact CE2-CE1 4.01Å; F151-F174 HydrophobicContact CE2-CZ 4.24Å; F151-F174 HydrophobicContact CG-CD1 4.15Å; F151-F174 AromaticContact CG-CE1 3.86Å; F151-F174 HydrophobicContact CG-CE1 3.86Å; I160-F174 HydrophobicContact CD1-CE1 4.14Å; I160-F174 HydrophobicContact CG2-CE1 3.93Å; L172-F174 HydrophobicContact CB-CE2 3.6Å; L172-F174 HydrophobicContact CB-CZ 3.73Å; L172-F174 HydrophobicContact CD1-CZ 4.24Å; L172-F174 WeakPolarHBondContact O-CE2 3.37Å; F174-I178 HydrophobicContact CB-CB 4.14Å; F174-I178 HydrophobicContact CB-CG1 4.37Å; F174-I178 HydrophobicContact CB-CG2 3.76Å; F174-I178 HydrophobicContact CD1-CD1 4.21Å; F174-I178 HydrophobicContact CD1-CG1 4.25Å; F174-I178 HydrophobicContact CG-CG1 4.45Å; F174-I181 HydrophobicContact CD1-CD1 4.27Å; F174-I181 HydrophobicContact CD2-CD1 3.71Å; F174-I181 HydrophobicContact CE1-CD1 4.22Å; F174-I181 HydrophobicContact CE1-CG1 4.39Å; F174-I181 HydrophobicContact CE2-CD1 3.66Å; F174-I181 HydrophobicContact CG-CD1 4.03Å; F174-I181 HydrophobicContact CZ-CD1 3.92Å; F174-I181 HydrophobicContact CZ-CG1 4.39Å; F174-I181 HydrophobicContact CZ-CG2 4.4Å; F174-Y205 PolarHBondContact N-O 3.47Å; F174-Y205 PolarHBondContact O-N 3.09Å; F174-I207 HydrophobicContact CD2-CG1 4.21Å; F174-I207 HydrophobicContact CE2-CB 4.1Å; F174-I207 HydrophobicContact CE2-CG1 3.59Å; F174-I207 HydrophobicContact CZ-CG1 4.46Å
175	G	92.6	Very high	93.6	Very high	21 Å²	21	34.6 Å²	34.6	22%	0.216	18%	0.182	C	C	.	.			trans	-79.9	-177	174.7	0	0	0	0	0	113.4	F177 I178 N203	G175-F177 VanDerWaalsContact C-N 3.33Å; G175-F177 PolarHBondContact O-N 2.84Å; G175-I178 WeakPolarHBondContact O-CG2 3.33Å; G175-N203 CarbonylContact C-O 3.6Å; G175-N203 VanDerWaalsContact C-O 3.27Å
176	S	88.5	Confident	93.6	Very high	40 Å²	40	28.7 Å²	28.7	28%	0.28	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-25	-169.5	46.9	0	0	0	0	115.7	I178 N203 S226	S176-I178 VanDerWaalsContact C-N 3.33Å; S176-N203 VanDerWaalsContact CA-O 3.23Å; S176-N203 WeakPolarHBondContact CA-O 3.26Å; S176-N203 PolarHBondContact N-O 3.48Å; S176-S226 PolarHBondContact O-OG 2.82Å
177	F	91	Very high	93.7	Very high	99 Å²	99	34.7 Å²	34.7	43%	0.434	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-10.8	-173.1	-69.5	-80.7	0	0	0	113.5	P155 L157 H158 G175 T179	P155-F177 WeakPolarHBondContact O-CD2 2.96Å; L157-F177 CarbonylContact O-C 3.57Å; L157-F177 VanDerWaalsContact O-C 3.26Å; H158-F177 PolarHBondContact ND1-O 3.3Å; G175-F177 VanDerWaalsContact C-N 3.33Å; G175-F177 PolarHBondContact O-N 2.84Å; F177-T179 PolarHBondContact O-N 2.71Å
178	I	92.2	Very high	93.7	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	18%	0.182	C	C	.	.			trans	-61.7	128.8	177.1	-164.9	74.6	0	0	0	109.1	L157 H158 I160 F174 G175 S176 I181 Y205 L225 S226	L157-I178 HydrophobicContact CD2-CD1 4.32Å; L157-I178 HydrophobicContact CG-CD1 4.26Å; L157-I178 WeakPolarHBondContact O-CA 3.39Å; L157-I178 PolarHBondContact O-N 3.05Å; H158-I178 WeakPolarHBondContact O-CD1 3.3Å; I160-I178 HydrophobicContact CB-CD1 4.48Å; I160-I178 HydrophobicContact CG2-CD1 4.07Å; F174-I178 HydrophobicContact CB-CB 4.14Å; F174-I178 HydrophobicContact CB-CG1 4.37Å; F174-I178 HydrophobicContact CB-CG2 3.76Å; F174-I178 HydrophobicContact CD1-CD1 4.21Å; F174-I178 HydrophobicContact CD1-CG1 4.25Å; F174-I178 HydrophobicContact CG-CG1 4.45Å; G175-I178 WeakPolarHBondContact O-CG2 3.33Å; S176-I178 VanDerWaalsContact C-N 3.33Å; I178-I181 HydrophobicContact CD1-CG1 4.13Å; I178-I181 HydrophobicContact CG1-CD1 4.09Å; I178-I181 HydrophobicContact CG1-CG1 3.71Å; I178-Y205 HydrophobicContact CG2-CD2 3.63Å; I178-Y205 HydrophobicContact CG2-CE2 4.26Å; I178-Y205 HydrophobicContact CG2-CG 4.25Å; I178-L225 HydrophobicContact CB-CD1 4.25Å; I178-L225 HydrophobicContact CG1-CD1 3.83Å; I178-L225 HydrophobicContact CG2-CB 4.31Å; I178-L225 HydrophobicContact CG2-CD1 3.6Å; I178-L225 WeakPolarHBondContact O-CB 3.21Å; I178-S226 PolarHBondContact O-OG 2.9Å
179	T	90.5	Very high	93.7	Very high	53 Å²	53	32.1 Å²	32.1	33%	0.325	18%	0.18	S	C	.	.			trans	-120	-20.4	176.5	60.6	0	0	0	0	112	H158 F177 T223 R224	H158-T179 PolarHBondContact O-N 2.85Å; H158-T179 PolarHBondContact O-OG1 3.03Å; F177-T179 PolarHBondContact O-N 2.71Å; T179-T223 CarbonylContact O-C 3.57Å; T179-R224 PolarHBondContact O-N 3.37Å
180	L	91.1	Very high	93.7	Very high	16 Å²	16	34.4 Å²	34.4	8%	0.084	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	122	-173.7	-175.3	40.8	0	0	0	112.7	H158 E159 I160 R182 K221 F222 T223	H158-L180 PolarHBondContact O-N 3.47Å; E159-L180 WeakPolarHBondContact CA-O 3.24Å; E159-L180 HydrophobicContact CB-CB 4.45Å; E159-L180 HydrophobicContact CG-CB 4.04Å; I160-L180 PolarHBondContact N-O 2.93Å; L180-R182 HydrophobicContact CD1-CG 3.93Å; L180-R182 VanDerWaalsContact CD2-NH1 3.35Å; L180-R182 HydrophobicContact CG-CG 4.2Å; L180-K221 HydrophobicContact CD1-CD 4.23Å; L180-K221 VanDerWaalsContact CD1-CE 3.5Å; L180-K221 HydrophobicContact CD1-CG 3.7Å; L180-F222 WeakPolarHBondContact CA-O 3.38Å; L180-F222 VanDerWaalsContact CD1-O 3.3Å; L180-F222 WeakPolarHBondContact CD1-O 3.48Å; L180-T223 HydrophobicContact CD1-CG2 3.83Å
181	I	94	Very high	93.6	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	124.2	173.1	-57.1	166.5	0	0	0	107.9	I160 F174 I178 F183 I207 K221 F222 L225	I160-I181 HydrophobicContact CG2-CB 4.01Å; I160-I181 HydrophobicContact CG2-CG1 3.8Å; I160-I181 HydrophobicContact CG2-CG2 3.84Å; F174-I181 HydrophobicContact CD1-CD1 4.27Å; F174-I181 HydrophobicContact CD2-CD1 3.71Å; F174-I181 HydrophobicContact CE1-CD1 4.22Å; F174-I181 HydrophobicContact CE1-CG1 4.39Å; F174-I181 HydrophobicContact CE2-CD1 3.66Å; F174-I181 HydrophobicContact CG-CD1 4.03Å; F174-I181 HydrophobicContact CZ-CD1 3.92Å; F174-I181 HydrophobicContact CZ-CG1 4.39Å; F174-I181 HydrophobicContact CZ-CG2 4.4Å; I178-I181 HydrophobicContact CD1-CG1 4.13Å; I178-I181 HydrophobicContact CG1-CD1 4.09Å; I178-I181 HydrophobicContact CG1-CG1 3.71Å; I181-F183 HydrophobicContact CG2-CD2 4.2Å; I181-F183 HydrophobicContact CG2-CE2 3.52Å; I181-F183 HydrophobicContact CG2-CZ 3.93Å; I181-I207 HydrophobicContact CD1-CD1 3.99Å; I181-I207 HydrophobicContact CD1-CG1 3.72Å; I181-K221 WeakPolarHBondContact O-CA 3.33Å; I181-F222 HydrophobicContact CB-CB 4.32Å; I181-F222 HydrophobicContact CB-CD2 4.44Å; I181-F222 PolarHBondContact N-O 3.28Å; I181-F222 PolarHBondContact O-N 3.17Å; I181-L225 HydrophobicContact CD1-CD1 3.64Å; I181-L225 HydrophobicContact CG1-CD1 3.89Å
182	R	93.7	Very high	93.4	Very high	31 Å²	31	32 Å²	32	12%	0.117	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	130.7	176.9	-61.8	-178.8	-174.9	95.9	-12.7	109.7	E159 I160 T161 L162 L180 L219 K221	E159-R182 IonicContact OE2-CZ 3.61Å; E159-R182 IonicContact OE2-NH1 2.77Å; E159-R182 PolarHBondContact OE2-NH1 2.81Å; E159-R182 IonicContact OE2-NH2 3.49Å; E159-R182 PolarHBondContact OE2-NH2 3.25Å; I160-R182 PolarHBondContact O-N 3.01Å; T161-R182 CarbonylContact C-O 3.49Å; T161-R182 WeakPolarHBondContact CA-O 3.28Å; T161-R182 HydrophobicContact CG2-CB 4.2Å; L162-R182 PolarHBondContact N-O 3.17Å; L180-R182 HydrophobicContact CD1-CG 3.93Å; L180-R182 VanDerWaalsContact CD2-NH1 3.35Å; L180-R182 HydrophobicContact CG-CG 4.2Å; R182-L219 HydrophobicContact CB-CD1 4Å; R182-L219 HydrophobicContact CG-CD1 4.42Å; R182-K221 HydrophobicContact CG-CG 4.31Å
183	F	94.9	Very high	93.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	122.7	163.8	-56.1	-94.5	0	0	0	108.7	L162 C164 F168 L172 I181 C186 F193 I207 L219 V220 F222	L162-F183 HydrophobicContact CB-CD1 4.02Å; L162-F183 HydrophobicContact CB-CE1 4.29Å; L162-F183 HydrophobicContact CD1-CD1 4.48Å; L162-F183 HydrophobicContact CD1-CE1 3.91Å; L162-F183 CarbonylContact O-C 3.6Å; L162-F183 VanDerWaalsContact O-CA 3.3Å; L162-F183 WeakPolarHBondContact O-CA 3.44Å; C164-F183 WeakPolarHBondContact SG-CB 3.22Å; F168-F183 HydrophobicContact CE1-CE1 4.11Å; F168-F183 HydrophobicContact CE2-CD1 4.34Å; F168-F183 HydrophobicContact CE2-CE1 4.44Å; F168-F183 AromaticContact CZ-CD1 3.89Å; F168-F183 HydrophobicContact CZ-CD1 3.89Å; F168-F183 AromaticContact CZ-CE1 3.87Å; F168-F183 HydrophobicContact CZ-CE1 3.87Å; L172-F183 HydrophobicContact CD1-CE1 4.23Å; L172-F183 HydrophobicContact CD1-CZ 4.32Å; I181-F183 HydrophobicContact CG2-CD2 4.2Å; I181-F183 HydrophobicContact CG2-CE2 3.52Å; I181-F183 HydrophobicContact CG2-CZ 3.93Å; F183-C186 PolarHBondContact O-SG 3.4Å; F183-F193 HydrophobicContact CD1-CD1 4.31Å; F183-F193 AromaticContact CD1-CE1 3.67Å; F183-F193 HydrophobicContact CD1-CE1 3.67Å; F183-F193 AromaticContact CD1-CZ 3.99Å; F183-F193 HydrophobicContact CD1-CZ 3.99Å; F183-F193 HydrophobicContact CD2-CD1 4.07Å; F183-F193 HydrophobicContact CD2-CE1 4.2Å; F183-F193 HydrophobicContact CD2-CG 4.39Å; F183-F193 HydrophobicContact CE1-CD1 4.02Å; F183-F193 AromaticContact CE1-CE1 3.56Å; F183-F193 HydrophobicContact CE1-CE1 3.56Å; F183-F193 HydrophobicContact CE1-CZ 4.33Å; F183-F193 AromaticContact CE2-CD1 3.76Å; F183-F193 HydrophobicContact CE2-CD1 3.76Å; F183-F193 HydrophobicContact CE2-CE1 4.1Å; F183-F193 HydrophobicContact CE2-CG 4.34Å; F183-F193 HydrophobicContact CG-CD1 4.34Å; F183-F193 AromaticContact CG-CE1 4Å; F183-F193 HydrophobicContact CG-CE1 4Å; F183-F193 HydrophobicContact CG-CZ 4.14Å; F183-F193 AromaticContact CZ-CD1 3.74Å; F183-F193 HydrophobicContact CZ-CD1 3.74Å; F183-F193 AromaticContact CZ-CE1 3.79Å; F183-F193 HydrophobicContact CZ-CE1 3.79Å; F183-I207 HydrophobicContact CE2-CG2 4.1Å; F183-I207 HydrophobicContact CZ-CG2 3.98Å; F183-L219 CarbonylContact O-C 3.5Å; F183-L219 WeakPolarHBondContact O-CA 3.14Å; F183-L219 WeakPolarHBondContact O-CD1 3.48Å; F183-V220 HydrophobicContact CB-CB 4.2Å; F183-V220 HydrophobicContact CD2-CB 4.27Å; F183-V220 HydrophobicContact CD2-CG1 4.35Å; F183-V220 PolarHBondContact N-O 3.26Å; F183-V220 PolarHBondContact O-N 2.82Å; F183-F222 HydrophobicContact CD2-CE2 4.42Å; F183-F222 HydrophobicContact CE2-CD2 4.31Å; F183-F222 HydrophobicContact CE2-CE2 4.06Å
184	V	94.3	Very high	93	Very high	3 Å²	3	37 Å²	37	2%	0.018	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	169.3	-177.9	-62.8	0	0	0	0	111.4	R140 T161 L162 C164 C186 Y218 L219	R140-V184 HydrophobicContact CB-CG2 4.29Å; R140-V184 HydrophobicContact CG-CB 4.35Å; R140-V184 HydrophobicContact CG-CG1 4.48Å; R140-V184 HydrophobicContact CG-CG2 3.37Å; T161-V184 HydrophobicContact CG2-CG1 3.88Å; T161-V184 HydrophobicContact CG2-CG2 4.43Å; L162-V184 WeakPolarHBondContact O-CG2 3.07Å; L162-V184 PolarHBondContact O-N 3.5Å; C164-V184 VanDerWaalsContact CB-O 3.29Å; C164-V184 WeakPolarHBondContact CB-O 3.38Å; C164-V184 PolarHBondContact N-O 2.92Å; V184-C186 PolarHBondContact O-N 3.33Å; V184-Y218 CarbonylContact C-O 3.53Å; V184-Y218 HydrophobicContact CB-CE1 4.45Å; V184-L219 HydrophobicContact CG1-CD1 4.08Å
185	D	93.3	Very high	92.9	Very high	39 Å²	39	37.2 Å²	37.2	21%	0.209	21%	0.206	C	C	.	.	S	Bend	trans	57.2	35.1	-179.6	-60.4	-42.6	0	0	0	113.1	N163 K165 Y218	N163-D185 PolarHBondContact ND2-OD2 3.45Å; K165-D185 WeakPolarHBondContact CE-O 3.43Å; D185-Y218 HydrophobicContact CB-CE2 4.36Å; D185-Y218 PolarHBondContact N-O 3.28Å; D185-Y218 VanDerWaalsContact N-O 3.09Å; D185-Y218 WeakPolarHBondContact OD1-CE2 3.05Å; D185-Y218 PolarHBondContact OD1-OH 3.35Å
186	C	93.5	Very high	92.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.201	C	C	.	.			trans	-82.3	-14.2	-174	-58.1	0	0	0	0	114.6	C164 F183 V184 G188 V189 L215 Q217 Y218 V220	C164-C186 VanDerWaalsContact CB-CA 3.4Å; C164-C186 HydrophobicContact CB-CB 3.68Å; C164-C186 WeakPolarHBondContact CB-SG 3.46Å; C164-C186 VanDerWaalsContact SG-CA 3.55Å; C164-C186 WeakPolarHBondContact SG-CB 3.33Å; C164-C186 CovalentContact SG-SG 2.03Å; C164-C186 PolarHBondContact SG-SG 3.36Å; F183-C186 PolarHBondContact O-SG 3.4Å; V184-C186 PolarHBondContact O-N 3.33Å; C186-G188 PolarHBondContact O-N 3Å; C186-V189 WeakPolarHBondContact O-CB 3.47Å; C186-V189 WeakPolarHBondContact O-CG2 3.19Å; C186-V189 PolarHBondContact O-N 2.9Å; C186-L215 HydrophobicContact CB-CB 4.48Å; C186-L215 HydrophobicContact CB-CD1 3.81Å; C186-L215 WeakPolarHBondContact O-CB 3.39Å; C186-Q217 CarbonylContact C-O 3.49Å; C186-Q217 WeakPolarHBondContact CB-O 3.23Å; C186-Y218 PolarHBondContact N-O 2.84Å; C186-V220 HydrophobicContact CB-CG2 4.4Å
187	E	93.7	Very high	93.1	Very high	134 Å²	134	36.1 Å²	36.1	63%	0.626	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	125.7	-177.3	-171.5	-179.8	-179.1	0	0	111.3	V189 Q217	E187-V189 PolarHBondContact O-N 3.02Å; E187-Q217 PolarHBondContact N-O 3.04Å
188	G	93.7	Very high	93.2	Very high	49 Å²	49	31.4 Å²	31.4	51%	0.505	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	-5.2	-179.2	0	0	0	0	0	115.2	C186 L215	C186-G188 PolarHBondContact O-N 3Å; G188-L215 PolarHBondContact N-O 3.1Å
189	V	94.5	Very high	93.2	Very high	16 Å²	16	36.2 Å²	36.2	10%	0.097	20%	0.195	C	C	.	.			trans	-76.4	126.8	179.9	-179.7	0	0	0	0	110	C164 K165 C186 E187 L191 P214 L215	C164-V189 HydrophobicContact CB-CG2 4.15Å; K165-V189 HydrophobicContact CG-CG2 3.88Å; C186-V189 WeakPolarHBondContact O-CB 3.47Å; C186-V189 WeakPolarHBondContact O-CG2 3.19Å; C186-V189 PolarHBondContact O-N 2.9Å; E187-V189 PolarHBondContact O-N 3.02Å; V189-L191 HydrophobicContact CG1-CB 4.09Å; V189-L191 HydrophobicContact CG1-CD1 3.8Å; V189-L191 HydrophobicContact CG1-CG 3.81Å; V189-L191 PolarHBondContact O-N 3.12Å; V189-P214 WeakPolarHBondContact O-CA 3.34Å; V189-L215 PolarHBondContact O-N 3.18Å
190	P	95.2	Very high	93.4	Very high	76 Å²	76	37.9 Å²	37.9	49%	0.494	20%	0.199	S	C	.	.			trans	-84	52	-175.2	36.1	-37.8	0	0	0	112.6	G212	P190-G212 CarbonylContact C-O 3.36Å; P190-G212 WeakPolarHBondContact CA-O 3.39Å; P190-G212 WeakPolarHBondContact CB-O 3.47Å; P190-G212 PolarHBondContact O-N 3.05Å
191	L	93.2	Very high	93.5	Very high	35 Å²	35	40 Å²	40	18%	0.183	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	152.4	-179.1	-66.5	177.4	0	0	0	111.2	F168 V189 F193 I209 R210 L215	F168-L191 HydrophobicContact CD2-CD1 4.32Å; V189-L191 HydrophobicContact CG1-CB 4.09Å; V189-L191 HydrophobicContact CG1-CD1 3.8Å; V189-L191 HydrophobicContact CG1-CG 3.81Å; V189-L191 PolarHBondContact O-N 3.12Å; L191-F193 HydrophobicContact CB-CE2 4.16Å; L191-F193 HydrophobicContact CB-CZ 4.24Å; L191-F193 HydrophobicContact CD1-CZ 4.34Å; L191-I209 HydrophobicContact CD1-CG2 4.14Å; L191-I209 HydrophobicContact CD2-CG2 4.14Å; L191-R210 CarbonylContact C-O 3.51Å; L191-R210 WeakPolarHBondContact CA-O 3.45Å; L191-L215 WeakPolarHBondContact O-CD1 3.42Å; L191-L215 WeakPolarHBondContact O-CD2 3.35Å; L191-L215 WeakPolarHBondContact O-CG 3.35Å
192	Q	92	Very high	93.3	Very high	56 Å²	56	43.2 Å²	43.2	26%	0.262	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.2	170.4	-69.7	178.8	-31.5	0	0	110	Y194 I209 R210 P213	Q192-Y194 HydrophobicContact CB-CD2 4.39Å; Q192-Y194 HydrophobicContact CB-CE2 3.49Å; Q192-Y194 VanDerWaalsContact CB-CE2 3.49Å; Q192-Y194 HydrophobicContact CG-CE2 4.45Å; Q192-Y194 PolarHBondContact NE2-OH 3.41Å; Q192-Y194 PolarHBondContact OE1-OH 3.09Å; Q192-I209 WeakPolarHBondContact O-CA 3.45Å; Q192-R210 PolarHBondContact N-O 3.17Å; Q192-R210 PolarHBondContact O-N 3.31Å; Q192-P213 VanDerWaalsContact NE2-CD 3.32Å
193	F	92.7	Very high	93.1	Very high	10 Å²	10	46.2 Å²	46.2	4%	0.044	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132.2	-178.5	-57.7	-90.3	0	0	0	109.5	F183 L191 I207 R208 I209 L215 V220 F222	F183-F193 HydrophobicContact CD1-CD1 4.31Å; F183-F193 AromaticContact CD1-CE1 3.67Å; F183-F193 HydrophobicContact CD1-CE1 3.67Å; F183-F193 AromaticContact CD1-CZ 3.99Å; F183-F193 HydrophobicContact CD1-CZ 3.99Å; F183-F193 HydrophobicContact CD2-CD1 4.07Å; F183-F193 HydrophobicContact CD2-CE1 4.2Å; F183-F193 HydrophobicContact CD2-CG 4.39Å; F183-F193 HydrophobicContact CE1-CD1 4.02Å; F183-F193 AromaticContact CE1-CE1 3.56Å; F183-F193 HydrophobicContact CE1-CE1 3.56Å; F183-F193 HydrophobicContact CE1-CZ 4.33Å; F183-F193 AromaticContact CE2-CD1 3.76Å; F183-F193 HydrophobicContact CE2-CD1 3.76Å; F183-F193 HydrophobicContact CE2-CE1 4.1Å; F183-F193 HydrophobicContact CE2-CG 4.34Å; F183-F193 HydrophobicContact CG-CD1 4.34Å; F183-F193 AromaticContact CG-CE1 4Å; F183-F193 HydrophobicContact CG-CE1 4Å; F183-F193 HydrophobicContact CG-CZ 4.14Å; F183-F193 AromaticContact CZ-CD1 3.74Å; F183-F193 HydrophobicContact CZ-CD1 3.74Å; F183-F193 AromaticContact CZ-CE1 3.79Å; F183-F193 HydrophobicContact CZ-CE1 3.79Å; L191-F193 HydrophobicContact CB-CE2 4.16Å; L191-F193 HydrophobicContact CB-CZ 4.24Å; L191-F193 HydrophobicContact CD1-CZ 4.34Å; F193-I207 HydrophobicContact CB-CG2 4.17Å; F193-I207 HydrophobicContact CD1-CG2 3.95Å; F193-R208 WeakPolarHBondContact CA-O 3.49Å; F193-I209 HydrophobicContact CD1-CD1 4.36Å; F193-I209 HydrophobicContact CD1-CG1 3.8Å; F193-I209 HydrophobicContact CD1-CG2 4.43Å; F193-I209 HydrophobicContact CE1-CD1 4.04Å; F193-I209 HydrophobicContact CE1-CG1 3.87Å; F193-I209 HydrophobicContact CE1-CG2 4.02Å; F193-L215 HydrophobicContact CD2-CD1 4.27Å; F193-L215 HydrophobicContact CE2-CD1 3.88Å; F193-V220 HydrophobicContact CB-CG1 4.11Å; F193-V220 HydrophobicContact CD2-CB 4.31Å; F193-V220 HydrophobicContact CD2-CG1 4.12Å; F193-V220 HydrophobicContact CD2-CG2 3.86Å; F193-V220 HydrophobicContact CE2-CG2 4.18Å; F193-V220 HydrophobicContact CG-CG1 4.31Å; F193-F222 HydrophobicContact CB-CE2 3.89Å; F193-F222 HydrophobicContact CB-CZ 3.79Å
194	Y	91.7	Very high	93.1	Very high	96 Å²	96	46.5 Å²	46.5	38%	0.376	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	132.2	176.1	-55.8	-83.1	0	0	0	110.2	Q192 I207 R208	Q192-Y194 HydrophobicContact CB-CD2 4.39Å; Q192-Y194 HydrophobicContact CB-CE2 3.49Å; Q192-Y194 VanDerWaalsContact CB-CE2 3.49Å; Q192-Y194 HydrophobicContact CG-CE2 4.45Å; Q192-Y194 PolarHBondContact NE2-OH 3.41Å; Q192-Y194 PolarHBondContact OE1-OH 3.09Å; Y194-I207 WeakPolarHBondContact O-CA 3.26Å; Y194-R208 PolarHBondContact N-O 3.18Å; Y194-R208 PolarHBondContact O-N 3.46Å
195	C	93.5	Very high	93	Very high	6 Å²	6	46.8 Å²	46.8	4%	0.041	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	135.2	177.6	-170.7	0	0	0	0	112.5	V206 I207 F222 C258 V259	C195-V206 CarbonylContact C-O 3.6Å; C195-V206 WeakPolarHBondContact CA-O 3.47Å; C195-I207 HydrophobicContact CB-CD1 3.55Å; C195-F222 HydrophobicContact CB-CD1 3.7Å; C195-F222 HydrophobicContact CB-CE1 3.76Å; C195-C258 HydrophobicContact CB-CB 3.79Å; C195-C258 WeakPolarHBondContact CB-SG 3.28Å; C195-C258 WeakPolarHBondContact O-CA 3.41Å; C195-C258 WeakPolarHBondContact SG-CB 3.37Å; C195-C258 CovalentContact SG-SG 2.03Å; C195-C258 PolarHBondContact SG-SG 2.96Å; C195-V259 PolarHBondContact O-N 3.1Å
196	I	92.6	Very high	93.2	Very high	24 Å²	24	45 Å²	45	12%	0.123	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131.7	172.5	-57.9	176.1	0	0	0	108.8	V206 R208 V259	I196-V206 HydrophobicContact CB-CB 4.43Å; I196-V206 PolarHBondContact N-O 3.03Å; I196-V206 PolarHBondContact O-N 3.48Å; I196-R208 HydrophobicContact CD1-CG 3.88Å; I196-R208 VanDerWaalsContact CD1-NE 3.29Å; I196-V259 CarbonylContact C-O 3.55Å; I196-V259 VanDerWaalsContact CA-O 3.29Å; I196-V259 WeakPolarHBondContact CA-O 3.4Å
197	Q	92.8	Very high	93.3	Very high	13 Å²	13	45 Å²	45	6%	0.061	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	122.2	165	-173.1	174.1	11.2	0	0	108.5	I199 P202 Y205 C258 V259 Y260 G261	Q197-I199 PolarHBondContact O-N 3.47Å; Q197-P202 PolarHBondContact NE2-O 3.23Å; Q197-Y205 HydrophobicContact CB-CD1 4.28Å; Q197-Y205 HydrophobicContact CB-CE1 4.32Å; Q197-Y205 HydrophobicContact CG-CD1 4.19Å; Q197-Y205 HydrophobicContact CG-CE1 3.89Å; Q197-C258 HydrophobicContact CB-CB 3.97Å; Q197-V259 PolarHBondContact N-O 3.08Å; Q197-Y260 HydrophobicContact CB-CD1 4.14Å; Q197-Y260 HydrophobicContact CB-CE1 4.26Å; Q197-Y260 HydrophobicContact CG-CD1 4.16Å; Q197-Y260 HydrophobicContact CG-CE1 3.9Å; Q197-Y260 WeakPolarHBondContact O-CA 3.45Å; Q197-Y260 PolarHBondContact OE1-OH 3.35Å; Q197-G261 PolarHBondContact O-N 3.22Å
198	C	93.3	Very high	93.3	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	125.2	-172.7	-60.1	0	0	0	0	111.5	Q200 N201 P202 V204 G261 C263 L268	C198-Q200 VanDerWaalsContact C-N 3.28Å; C198-Q200 PolarHBondContact O-N 3.34Å; C198-N201 CarbonylContact O-C 3.59Å; C198-N201 PolarHBondContact O-N 3.47Å; C198-P202 WeakPolarHBondContact O-CA 3.31Å; C198-V204 HydrophobicContact CB-CB 4.47Å; C198-V204 PolarHBondContact N-O 3.11Å; C198-G261 WeakPolarHBondContact CA-O 3.47Å; C198-C263 WeakPolarHBondContact CA-SG 3.46Å; C198-C263 HydrophobicContact CB-CB 3.73Å; C198-C263 WeakPolarHBondContact CB-SG 3.39Å; C198-C263 WeakPolarHBondContact SG-CB 2.82Å; C198-C263 CovalentContact SG-SG 2.03Å; C198-C263 PolarHBondContact SG-SG 3.02Å; C198-L268 HydrophobicContact CB-CD2 3.94Å
199	I	93.9	Very high	93.4	Very high	103 Å²	103	41.1 Å²	41.1	53%	0.528	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-37.8	176.4	-65.6	167.1	0	0	0	110.7	Q197 N201 G261 V262	Q197-I199 PolarHBondContact O-N 3.47Å; I199-N201 VanDerWaalsContact C-N 3.26Å; I199-N201 PolarHBondContact O-N 3.44Å; I199-G261 WeakPolarHBondContact CG1-O 3.21Å; I199-G261 PolarHBondContact N-O 2.05Å; I199-V262 HydrophobicContact CD1-CG2 4.43Å
200	Q	94.7	Very high	93.4	Very high	89 Å²	89	46.3 Å²	46.3	42%	0.416	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-21	-179.2	-53.3	103.5	-56.5	0	0	113.3	C198 V262 C263 L268	C198-Q200 VanDerWaalsContact C-N 3.28Å; C198-Q200 PolarHBondContact O-N 3.34Å; Q200-V262 VanDerWaalsContact NE2-CG1 3.33Å; Q200-C263 PolarHBondContact NE2-O 2.83Å; Q200-L268 HydrophobicContact CB-CD1 4.23Å
201	N	93.1	Very high	93.4	Very high	61 Å²	61	48 Å²	48	33%	0.326	24%	0.236	S	C	.	.			trans	-149.8	96.1	173.9	-171	-8.4	0	0	0	109.5	C198 I199 N203 V204 L268	C198-N201 CarbonylContact O-C 3.59Å; C198-N201 PolarHBondContact O-N 3.47Å; I199-N201 VanDerWaalsContact C-N 3.26Å; I199-N201 PolarHBondContact O-N 3.44Å; N201-N203 PolarHBondContact O-N 3.5Å; N201-N203 WeakPolarHBondContact OD1-CB 3.38Å; N201-N203 PolarHBondContact OD1-N 3.14Å; N201-V204 HydrophobicContact CB-CB 4.37Å; N201-V204 HydrophobicContact CB-CG2 4.05Å; N201-V204 WeakPolarHBondContact ND2-CG2 3.27Å; N201-V204 PolarHBondContact O-N 3.46Å; N201-L268 HydrophobicContact CB-CD2 4Å
202	P	88.7	Confident	93.4	Very high	67 Å²	67	47.4 Å²	47.4	44%	0.435	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-11.8	-174.6	27.7	-35.6	0	0	0	113.5	Q197 C198 V204	Q197-P202 PolarHBondContact NE2-O 3.23Å; C198-P202 WeakPolarHBondContact O-CA 3.31Å; P202-V204 VanDerWaalsContact C-N 3.25Å
203	N	90.6	Very high	93.4	Very high	94 Å²	94	48.7 Å²	48.7	50%	0.503	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	1.8	175.2	-67.5	-24	0	0	0	113	G175 S176 N201	G175-N203 CarbonylContact C-O 3.6Å; G175-N203 VanDerWaalsContact C-O 3.27Å; S176-N203 VanDerWaalsContact CA-O 3.23Å; S176-N203 WeakPolarHBondContact CA-O 3.26Å; S176-N203 PolarHBondContact N-O 3.48Å; N201-N203 PolarHBondContact O-N 3.5Å; N201-N203 WeakPolarHBondContact OD1-CB 3.38Å; N201-N203 PolarHBondContact OD1-N 3.14Å
204	V	93.4	Very high	93.4	Very high	5 Å²	5	52.2 Å²	52.2	3%	0.03	28%	0.276	C	S	.	.			trans	-117.3	127.9	-177.7	176.7	0	0	0	0	110	I152 T173 C198 N201 P202 V206 L268	I152-V204 HydrophobicContact CD1-CG2 4.2Å; T173-V204 HydrophobicContact CG2-CG1 3.49Å; T173-V204 VanDerWaalsContact CG2-CG1 3.49Å; C198-V204 HydrophobicContact CB-CB 4.47Å; C198-V204 PolarHBondContact N-O 3.11Å; N201-V204 HydrophobicContact CB-CB 4.37Å; N201-V204 HydrophobicContact CB-CG2 4.05Å; N201-V204 WeakPolarHBondContact ND2-CG2 3.27Å; N201-V204 PolarHBondContact O-N 3.46Å; P202-V204 VanDerWaalsContact C-N 3.25Å; V204-V206 HydrophobicContact CG1-CG2 4.18Å; V204-L268 HydrophobicContact CG1-CD2 4.42Å
205	Y	94	Very high	93.3	Very high	10 Å²	10	49 Å²	49	4%	0.039	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	137.4	175.8	-57.1	-84.8	0	0	0	109.5	F174 I178 Q197 L225 S226	F174-Y205 PolarHBondContact N-O 3.47Å; F174-Y205 PolarHBondContact O-N 3.09Å; I178-Y205 HydrophobicContact CG2-CD2 3.63Å; I178-Y205 HydrophobicContact CG2-CE2 4.26Å; I178-Y205 HydrophobicContact CG2-CG 4.25Å; Q197-Y205 HydrophobicContact CB-CD1 4.28Å; Q197-Y205 HydrophobicContact CB-CE1 4.32Å; Q197-Y205 HydrophobicContact CG-CD1 4.19Å; Q197-Y205 HydrophobicContact CG-CE1 3.89Å; Y205-L225 HydrophobicContact CD1-CB 4.05Å; Y205-L225 HydrophobicContact CD1-CD2 4.26Å; Y205-L225 HydrophobicContact CD2-CB 4.41Å; Y205-L225 HydrophobicContact CE1-CB 3.92Å; Y205-L225 WeakPolarHBondContact CE1-O 3.38Å; Y205-L225 HydrophobicContact CE2-CB 4.3Å; Y205-L225 HydrophobicContact CG-CB 4.29Å; Y205-L225 VanDerWaalsContact OH-C 3.26Å; Y205-L225 PolarHBondContact OH-O 2.94Å; Y205-S226 WeakPolarHBondContact OH-CA 3.41Å
206	V	95.6	Very high	93.2	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	120.6	-177.1	179.7	0	0	0	0	108.8	F171 L172 T173 C195 I196 V204 R208 M267	F171-V206 HydrophobicContact CB-CG1 3.79Å; F171-V206 HydrophobicContact CD2-CG1 4.19Å; F171-V206 HydrophobicContact CG-CG1 4.28Å; L172-V206 CarbonylContact O-C 3.56Å; L172-V206 WeakPolarHBondContact O-CA 3.36Å; T173-V206 HydrophobicContact CG2-CG2 4.37Å; C195-V206 CarbonylContact C-O 3.6Å; C195-V206 WeakPolarHBondContact CA-O 3.47Å; I196-V206 HydrophobicContact CB-CB 4.43Å; I196-V206 PolarHBondContact N-O 3.03Å; I196-V206 PolarHBondContact O-N 3.48Å; V204-V206 HydrophobicContact CG1-CG2 4.18Å; V206-R208 HydrophobicContact CG1-CG 4.41Å; V206-M267 HydrophobicContact CG1-CB 4.5Å; V206-M267 HydrophobicContact CG1-CG 4.12Å; V206-M267 HydrophobicContact CG1-SD 4.31Å; V206-M267 HydrophobicContact CG2-CB 4.14Å
207	I	95.6	Very high	93	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	110.1	167.7	-58.5	-58.1	0	0	0	107.4	F171 L172 F174 I181 F183 F193 Y194 C195 I209 F222	F171-I207 CarbonylContact C-O 3.5Å; F171-I207 WeakPolarHBondContact CA-O 3.4Å; L172-I207 PolarHBondContact N-O 3.36Å; L172-I207 PolarHBondContact O-N 3.42Å; F174-I207 HydrophobicContact CD2-CG1 4.21Å; F174-I207 HydrophobicContact CE2-CB 4.1Å; F174-I207 HydrophobicContact CE2-CG1 3.59Å; F174-I207 HydrophobicContact CZ-CG1 4.46Å; I181-I207 HydrophobicContact CD1-CD1 3.99Å; I181-I207 HydrophobicContact CD1-CG1 3.72Å; F183-I207 HydrophobicContact CE2-CG2 4.1Å; F183-I207 HydrophobicContact CZ-CG2 3.98Å; F193-I207 HydrophobicContact CB-CG2 4.17Å; F193-I207 HydrophobicContact CD1-CG2 3.95Å; Y194-I207 WeakPolarHBondContact O-CA 3.26Å; C195-I207 HydrophobicContact CB-CD1 3.55Å; I207-I209 HydrophobicContact CG2-CG1 4.25Å; I207-F222 HydrophobicContact CD1-CD1 4.13Å; I207-F222 HydrophobicContact CD1-CD2 3.83Å; I207-F222 HydrophobicContact CD1-CE1 4.22Å; I207-F222 HydrophobicContact CD1-CE2 3.92Å; I207-F222 HydrophobicContact CD1-CG 3.96Å; I207-F222 HydrophobicContact CD1-CZ 4.12Å; I207-F222 HydrophobicContact CG2-CE2 4.39Å
208	R	94.7	Very high	92.8	Very high	94 Å²	94	64.5 Å²	64.5	36%	0.355	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	136.4	169.1	-74.3	-165	178	177.2	0.1	110	F171 F193 Y194 I196 V206 M267	F171-R208 HydrophobicContact CB-CG 4.4Å; F193-R208 WeakPolarHBondContact CA-O 3.49Å; Y194-R208 PolarHBondContact N-O 3.18Å; Y194-R208 PolarHBondContact O-N 3.46Å; I196-R208 HydrophobicContact CD1-CG 3.88Å; I196-R208 VanDerWaalsContact CD1-NE 3.29Å; V206-R208 HydrophobicContact CG1-CG 4.41Å; R208-M267 HydrophobicContact CG-CE 4.35Å; R208-M267 PolarHBondContact NH2-SD 3.47Å
209	I	95.2	Very high	92.8	Very high	9 Å²	9	65.4 Å²	65.4	5%	0.046	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	117.8	-178.1	-54.4	174.3	0	0	0	106.7	F168 E170 L172 L191 Q192 F193 I207	F168-I209 HydrophobicContact CB-CD1 3.53Å; F168-I209 HydrophobicContact CB-CG2 4.27Å; F168-I209 HydrophobicContact CD1-CD1 3.96Å; F168-I209 HydrophobicContact CD2-CD1 4.29Å; F168-I209 HydrophobicContact CG-CD1 3.67Å; E170-I209 PolarHBondContact O-N 2.84Å; E170-I209 VanDerWaalsContact O-O 3.1Å; L172-I209 HydrophobicContact CD1-CD1 3.85Å; L172-I209 HydrophobicContact CG-CD1 3.86Å; L191-I209 HydrophobicContact CD1-CG2 4.14Å; L191-I209 HydrophobicContact CD2-CG2 4.14Å; Q192-I209 WeakPolarHBondContact O-CA 3.45Å; F193-I209 HydrophobicContact CD1-CD1 4.36Å; F193-I209 HydrophobicContact CD1-CG1 3.8Å; F193-I209 HydrophobicContact CD1-CG2 4.43Å; F193-I209 HydrophobicContact CE1-CD1 4.04Å; F193-I209 HydrophobicContact CE1-CG1 3.87Å; F193-I209 HydrophobicContact CE1-CG2 4.02Å; I207-I209 HydrophobicContact CG2-CG1 4.25Å
210	R	94	Very high	92.6	Very high	125 Å²	125	60.7 Å²	60.7	47%	0.472	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	148.1	-175.3	-60.6	-64.5	-71.3	-167.9	-1.9	110.3	E170 L191 Q192	E170-R210 IonicContact OE2-NH1 3.36Å; E170-R210 PolarHBondContact OE2-NH1 2.67Å; L191-R210 CarbonylContact C-O 3.51Å; L191-R210 WeakPolarHBondContact CA-O 3.45Å; Q192-R210 PolarHBondContact N-O 3.17Å; Q192-R210 PolarHBondContact O-N 3.31Å
211	P	95.2	Very high	92.4	Very high	110 Å²	110	59.6 Å²	59.6	71%	0.714	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.5	139.8	165.3	-22.2	33.4	0	0	0	110.5
212	G	93.7	Very high	92.3	Very high	24 Å²	24	56.9 Å²	56.9	25%	0.247	28%	0.284	C	S	.	.			trans	-163.4	-174	178.9	0	0	0	0	0	112.6	P190	P190-G212 CarbonylContact C-O 3.36Å; P190-G212 WeakPolarHBondContact CA-O 3.39Å; P190-G212 WeakPolarHBondContact CB-O 3.47Å; P190-G212 PolarHBondContact O-N 3.05Å
213	P	92.5	Very high	92.2	Very high	83 Å²	83	54.8 Å²	54.8	54%	0.539	27%	0.27	S	S	.	.	S	Bend	trans	-59.3	150.5	174.4	27.3	-35.2	0	0	0	111	Q192 L215	Q192-P213 VanDerWaalsContact NE2-CD 3.32Å; P213-L215 PolarHBondContact O-N 3.32Å
214	P	93	Very high	91.2	Very high	83 Å²	83	60.3 Å²	60.3	54%	0.539	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-52.9	128.3	174.8	-26.3	34.3	0	0	0	112	V189 R216	V189-P214 WeakPolarHBondContact O-CA 3.34Å; P214-R216 PolarHBondContact O-N 2.98Å
215	L	89.8	Confident	89.9	Confident	28 Å²	28	60.4 Å²	60.4	15%	0.147	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-65.4	132.7	175.7	-67.6	170.4	0	0	0	109.9	C186 G188 V189 L191 F193 P213 V220	C186-L215 HydrophobicContact CB-CB 4.48Å; C186-L215 HydrophobicContact CB-CD1 3.81Å; C186-L215 WeakPolarHBondContact O-CB 3.39Å; G188-L215 PolarHBondContact N-O 3.1Å; V189-L215 PolarHBondContact O-N 3.18Å; L191-L215 WeakPolarHBondContact O-CD1 3.42Å; L191-L215 WeakPolarHBondContact O-CD2 3.35Å; L191-L215 WeakPolarHBondContact O-CG 3.35Å; F193-L215 HydrophobicContact CD2-CD1 4.27Å; F193-L215 HydrophobicContact CE2-CD1 3.88Å; P213-L215 PolarHBondContact O-N 3.32Å; L215-V220 HydrophobicContact CD1-CG2 3.94Å
216	R	90	Very high	88.2	Confident	243 Å²	243	62.5 Å²	62.5	92%	0.917	30%	0.3	S	S	*	.			trans	-87.5	-14.7	175	-63.9	-175.5	178.1	177.8	-1	113.2	P214	P214-R216 PolarHBondContact O-N 2.98Å
217	Q	88.6	Confident	86	Confident	72 Å²	72	65.8 Å²	65.8	34%	0.336	32%	0.323	S	S	.	.	S	Bend	trans	-97.7	143.6	-178	64.2	-169.1	4.7	0	0	110.9	C186 E187 L219 V220	C186-Q217 CarbonylContact C-O 3.49Å; C186-Q217 WeakPolarHBondContact CB-O 3.23Å; E187-Q217 PolarHBondContact N-O 3.04Å; Q217-L219 VanDerWaalsContact C-N 3.33Å; Q217-L219 WeakPolarHBondContact CG-O 3.31Å; Q217-V220 HydrophobicContact CG-CG2 4.44Å
218	Y	89.6	Confident	83.1	Confident	54 Å²	54	71.2 Å²	71.2	21%	0.212	36%	0.361	C	S	.	.	S	Bend	trans	-72.1	-27.5	176.6	178.3	-97.3	0	0	0	113	R140 V184 D185 C186 I419 L429	R140-Y218 PolarHBondContact NH2-OH 3.34Å; V184-Y218 CarbonylContact C-O 3.53Å; V184-Y218 HydrophobicContact CB-CE1 4.45Å; D185-Y218 HydrophobicContact CB-CE2 4.36Å; D185-Y218 PolarHBondContact N-O 3.28Å; D185-Y218 VanDerWaalsContact N-O 3.09Å; D185-Y218 WeakPolarHBondContact OD1-CE2 3.05Å; D185-Y218 PolarHBondContact OD1-OH 3.35Å; C186-Y218 PolarHBondContact N-O 2.84Å; Y218-I419 HydrophobicContact CD1-CD1 3.88Å; Y218-I419 HydrophobicContact CE1-CD1 4.24Å; Y218-I419 HydrophobicContact CG-CD1 4.33Å; Y218-L429 HydrophobicContact CE1-CD2 4.08Å
219	L	92	Very high	80.2	Confident	20 Å²	20	72 Å²	72	11%	0.105	38%	0.381	C	S	.	.			trans	-131.7	132.8	-172.9	170.7	64.5	0	0	0	110.6	R182 F183 V184 Q217 K221 I427	R182-L219 HydrophobicContact CB-CD1 4Å; R182-L219 HydrophobicContact CG-CD1 4.42Å; F183-L219 CarbonylContact O-C 3.5Å; F183-L219 WeakPolarHBondContact O-CA 3.14Å; F183-L219 WeakPolarHBondContact O-CD1 3.48Å; V184-L219 HydrophobicContact CG1-CD1 4.08Å; Q217-L219 VanDerWaalsContact C-N 3.33Å; Q217-L219 WeakPolarHBondContact CG-O 3.31Å; L219-K221 HydrophobicContact CG-CB 4.42Å; L219-I427 HydrophobicContact CD2-CB 4.24Å; L219-I427 HydrophobicContact CD2-CD1 3.81Å; L219-I427 HydrophobicContact CD2-CG2 3.26Å
220	V	90.9	Very high	77	Confident	3 Å²	3	74.1 Å²	74.1	2%	0.018	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	127.6	164.6	-179.1	0	0	0	0	107.5	F183 C186 F193 L215 Q217 F222	F183-V220 HydrophobicContact CB-CB 4.2Å; F183-V220 HydrophobicContact CD2-CB 4.27Å; F183-V220 HydrophobicContact CD2-CG1 4.35Å; F183-V220 PolarHBondContact N-O 3.26Å; F183-V220 PolarHBondContact O-N 2.82Å; C186-V220 HydrophobicContact CB-CG2 4.4Å; F193-V220 HydrophobicContact CB-CG1 4.11Å; F193-V220 HydrophobicContact CD2-CB 4.31Å; F193-V220 HydrophobicContact CD2-CG1 4.12Å; F193-V220 HydrophobicContact CD2-CG2 3.86Å; F193-V220 HydrophobicContact CE2-CG2 4.18Å; F193-V220 HydrophobicContact CG-CG1 4.31Å; L215-V220 HydrophobicContact CD1-CG2 3.94Å; Q217-V220 HydrophobicContact CG-CG2 4.44Å; V220-F222 HydrophobicContact CG1-CD2 4.45Å; V220-F222 HydrophobicContact CG1-CE2 3.7Å; V220-F222 HydrophobicContact CG1-CZ 4.17Å
221	K	90.8	Very high	73.9	Confident	66 Å²	66	73.1 Å²	73.1	29%	0.287	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	133.3	-174.6	-170.9	-169.8	-173.4	-163.5	0	110.1	L180 I181 R182 L219 T223	L180-K221 HydrophobicContact CD1-CD 4.23Å; L180-K221 VanDerWaalsContact CD1-CE 3.5Å; L180-K221 HydrophobicContact CD1-CG 3.7Å; I181-K221 WeakPolarHBondContact O-CA 3.33Å; R182-K221 HydrophobicContact CG-CG 4.31Å; L219-K221 HydrophobicContact CG-CB 4.42Å; K221-T223 HydrophobicContact CD-CG2 3.78Å; K221-T223 HydrophobicContact CG-CG2 3.99Å
222	F	90.4	Very high	70.6	Confident	4 Å²	4	73.4 Å²	73.4	2%	0.018	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	123.7	167.9	-60.5	-90.7	0	0	0	108.2	L180 I181 F183 F193 C195 I207 V220 L225 L255	L180-F222 WeakPolarHBondContact CA-O 3.38Å; L180-F222 VanDerWaalsContact CD1-O 3.3Å; L180-F222 WeakPolarHBondContact CD1-O 3.48Å; I181-F222 HydrophobicContact CB-CB 4.32Å; I181-F222 HydrophobicContact CB-CD2 4.44Å; I181-F222 PolarHBondContact N-O 3.28Å; I181-F222 PolarHBondContact O-N 3.17Å; F183-F222 HydrophobicContact CD2-CE2 4.42Å; F183-F222 HydrophobicContact CE2-CD2 4.31Å; F183-F222 HydrophobicContact CE2-CE2 4.06Å; F193-F222 HydrophobicContact CB-CE2 3.89Å; F193-F222 HydrophobicContact CB-CZ 3.79Å; C195-F222 HydrophobicContact CB-CD1 3.7Å; C195-F222 HydrophobicContact CB-CE1 3.76Å; I207-F222 HydrophobicContact CD1-CD1 4.13Å; I207-F222 HydrophobicContact CD1-CD2 3.83Å; I207-F222 HydrophobicContact CD1-CE1 4.22Å; I207-F222 HydrophobicContact CD1-CE2 3.92Å; I207-F222 HydrophobicContact CD1-CG 3.96Å; I207-F222 HydrophobicContact CD1-CZ 4.12Å; I207-F222 HydrophobicContact CG2-CE2 4.39Å; V220-F222 HydrophobicContact CG1-CD2 4.45Å; V220-F222 HydrophobicContact CG1-CE2 3.7Å; V220-F222 HydrophobicContact CG1-CZ 4.17Å; F222-L225 HydrophobicContact CB-CD2 4.31Å; F222-L255 WeakPolarHBondContact CD1-O 3.42Å; F222-L255 WeakPolarHBondContact CE1-O 3.42Å
223	T	85.6	Confident	67.4	Low	24 Å²	24	77.8 Å²	77.8	15%	0.147	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	162.4	179.2	55.2	0	0	0	0	111.2	T179 L180 K221 L225 D256	T179-T223 CarbonylContact O-C 3.57Å; L180-T223 HydrophobicContact CD1-CG2 3.83Å; K221-T223 HydrophobicContact CD-CG2 3.78Å; K221-T223 HydrophobicContact CG-CG2 3.99Å; T223-L225 VanDerWaalsContact C-N 3.34Å; T223-L225 PolarHBondContact O-N 2.93Å; T223-D256 PolarHBondContact OG1-OD1 2.75Å
224	R	69.8	Low	64.2	Low	209 Å²	209	79.2 Å²	79.2	79%	0.789	46%	0.456	S	S	*	.			trans	58.8	39.5	166.1	-58.4	177.7	173.3	159.7	-1.5	114.6	T179 S226	T179-R224 PolarHBondContact O-N 3.37Å; R224-S226 VanDerWaalsContact C-N 3.31Å; R224-S226 PolarHBondContact O-N 2.87Å
225	L	66.7	Low	61.1	Low	7 Å²	7	80.9 Å²	80.9	4%	0.037	47%	0.47	C	S	.	.			trans	-61.2	-40.5	179.6	-59.6	163.9	0	0	0	111.1	I178 I181 Y205 F222 T223 S227 C258	I178-L225 HydrophobicContact CB-CD1 4.25Å; I178-L225 HydrophobicContact CG1-CD1 3.83Å; I178-L225 HydrophobicContact CG2-CB 4.31Å; I178-L225 HydrophobicContact CG2-CD1 3.6Å; I178-L225 WeakPolarHBondContact O-CB 3.21Å; I181-L225 HydrophobicContact CD1-CD1 3.64Å; I181-L225 HydrophobicContact CG1-CD1 3.89Å; Y205-L225 HydrophobicContact CD1-CB 4.05Å; Y205-L225 HydrophobicContact CD1-CD2 4.26Å; Y205-L225 HydrophobicContact CD2-CB 4.41Å; Y205-L225 HydrophobicContact CE1-CB 3.92Å; Y205-L225 WeakPolarHBondContact CE1-O 3.38Å; Y205-L225 HydrophobicContact CE2-CB 4.3Å; Y205-L225 HydrophobicContact CG-CB 4.29Å; Y205-L225 VanDerWaalsContact OH-C 3.26Å; Y205-L225 PolarHBondContact OH-O 2.94Å; F222-L225 HydrophobicContact CB-CD2 4.31Å; T223-L225 VanDerWaalsContact C-N 3.34Å; T223-L225 PolarHBondContact O-N 2.93Å; L225-S227 PolarHBondContact O-N 3.28Å; L225-C258 WeakPolarHBondContact CD2-SG 2.94Å
226	S	58	Low	58.2	Low	55 Å²	55	87.3 Å²	87.3	39%	0.385	50%	0.503	S	S	.	.	S	Bend	trans	-75.8	89.8	173.5	-37.8	0	0	0	0	111.3	S176 I178 Y205 R224 S228	S176-S226 PolarHBondContact O-OG 2.82Å; I178-S226 PolarHBondContact O-OG 2.9Å; Y205-S226 WeakPolarHBondContact OH-CA 3.41Å; R224-S226 VanDerWaalsContact C-N 3.31Å; R224-S226 PolarHBondContact O-N 2.87Å; S226-S228 PolarHBondContact O-N 3.2Å; S226-S228 VanDerWaalsContact O-N 3.14Å
227	S	49.6	Very low	55	Low	69 Å²	69	82.3 Å²	82.3	48%	0.483	50%	0.495	S	S	.	.			trans	-64.4	114.3	162.8	59	0	0	0	0	107.8	L225 S229	L225-S227 PolarHBondContact O-N 3.28Å; S227-S229 PolarHBondContact O-N 2.89Å
228	S	35.4	Very low	52.2	Low	114 Å²	114	86.3 Å²	86.3	80%	0.797	52%	0.519	S	S	*	.			trans	-51.6	96	162.1	176.2	0	0	0	0	107.7	S226 G230	S226-S228 PolarHBondContact O-N 3.2Å; S226-S228 VanDerWaalsContact O-N 3.14Å; S228-G230 PolarHBondContact O-N 3.22Å
229	S	33.5	Very low	49.3	Very low	109 Å²	109	92.3 Å²	92.3	76%	0.762	55%	0.546	S	S	*	.			trans	-65.4	86.2	158.4	53	0	0	0	0	104.7	S227 S231	S227-S229 PolarHBondContact O-N 2.89Å; S229-S231 VanDerWaalsContact C-N 3.33Å; S229-S231 PolarHBondContact O-N 2.95Å
230	G	27.5	Very low	46.5	Very low	55 Å²	55	98.5 Å²	98.5	57%	0.567	58%	0.578	S	S	*	*			trans	-55.1	101.3	173.6	0	0	0	0	0	107.9	S228 S232	S228-G230 PolarHBondContact O-N 3.22Å; G230-S232 PolarHBondContact O-N 3.44Å
231	S	28.5	Very low	43.5	Very low	103 Å²	103	103 Å²	103	72%	0.72	60%	0.601	S	S	*	*			trans	-60.4	97.4	149.3	55.2	0	0	0	0	105.3	S229 T233	S229-S231 VanDerWaalsContact C-N 3.33Å; S229-S231 PolarHBondContact O-N 2.95Å; S231-T233 VanDerWaalsContact C-N 3.26Å; S231-T233 PolarHBondContact O-N 3.11Å
232	S	27.1	Very low	40.7	Very low	116 Å²	116	107.3 Å²	107.3	81%	0.811	62%	0.622	S	S	*	*			trans	-52.7	86.2	169.9	43.8	0	0	0	0	110.4	G230	G230-S232 PolarHBondContact O-N 3.44Å
233	T	26.3	Very low	37.8	Very low	116 Å²	116	112.8 Å²	112.8	71%	0.712	65%	0.651	S	S	*	*			trans	-140.1	86.5	157.7	51.3	0	0	0	0	108.7	S231	S231-T233 VanDerWaalsContact C-N 3.26Å; S231-T233 PolarHBondContact O-N 3.11Å
234	S	24.8	Very low	35.3	Very low	113 Å²	113	117.7 Å²	117.7	79%	0.79	68%	0.677	S	S	*	*			trans	43	97.7	142.4	61.6	0	0	0	0	118.6
235	S	27.7	Very low	33.4	Very low	119 Å²	119	115.5 Å²	115.5	83%	0.832	68%	0.675	S	S	*	*				-157.5	110.7	119.1	45.2	0	0	0	0	109.8	N237	S235-N237 PolarHBondContact O-N 3.02Å
236	L	28.6	Very low	31.6	Very low	162 Å²	162	123 Å²	123	85%	0.848	72%	0.716	S	S	*	*			trans	-56.8	118.7	160.4	-93.6	77.6	0	0	0	107.9
237	N	24.4	Very low	30.5	Very low	138 Å²	138	126.9 Å²	126.9	74%	0.738	73%	0.731	S	S	*	*			trans	162.8	88.1	132.7	-81.8	-13.7	0	0	0	108.9	S235	S235-N237 PolarHBondContact O-N 3.02Å
238	N	30	Very low	29.4	Very low	156 Å²	156	128.1 Å²	128.1	83%	0.834	74%	0.74	S	S	*	*				165.6	89	129.2	-80.2	-14.3	0	0	0	108.5	I240	N238-I240 PolarHBondContact O-N 2.94Å
239	K	28.5	Very low	29.5	Very low	180 Å²	180	128.5 Å²	128.5	78%	0.783	74%	0.74	S	S	*	*			trans	-56.3	112.8	153.3	-85.9	-172.2	174.9	-164.4	0	107.5	I241	K239-I241 HydrophobicContact CB-CD1 4.48Å; K239-I241 HydrophobicContact CB-CG1 4.01Å; K239-I241 HydrophobicContact CD-CD1 3.38Å; K239-I241 HydrophobicContact CD-CG1 3.82Å; K239-I241 HydrophobicContact CG-CD1 3.7Å; K239-I241 HydrophobicContact CG-CG1 3.72Å
240	I	31.7	Very low	29.3	Very low	151 Å²	151	129.3 Å²	129.3	77%	0.774	74%	0.735	S	S	*	*			trans	-106.6	84.1	138.9	-60.1	176.8	0	0	0	104.1	N238 E242	N238-I240 PolarHBondContact O-N 2.94Å; I240-E242 HydrophobicContact CG2-CG 4.3Å; I240-E242 PolarHBondContact O-N 3.36Å
241	I	29.6	Very low	29.4	Very low	97 Å²	97	135.4 Å²	135.4	50%	0.497	75%	0.748	S	S	.	*			trans	-82.9	99.6	165.6	-62.9	-173.3	0	0	0	104.7	K239 N243	K239-I241 HydrophobicContact CB-CD1 4.48Å; K239-I241 HydrophobicContact CB-CG1 4.01Å; K239-I241 HydrophobicContact CD-CD1 3.38Å; K239-I241 HydrophobicContact CD-CG1 3.82Å; K239-I241 HydrophobicContact CG-CD1 3.7Å; K239-I241 HydrophobicContact CG-CG1 3.72Å; I241-N243 WeakPolarHBondContact CG2-OD1 3.36Å; I241-N243 PolarHBondContact O-N 3.41Å
242	E	31.8	Very low	29.6	Very low	156 Å²	156	138.4 Å²	138.4	73%	0.729	75%	0.751	S	S	*	*			trans	-72.4	102.8	158.4	-77.1	-178.3	161.4	0	0	107	I240 N244	I240-E242 HydrophobicContact CG2-CG 4.3Å; I240-E242 PolarHBondContact O-N 3.36Å; E242-N244 PolarHBondContact O-N 3.06Å
243	N	28.9	Very low	30	Very low	119 Å²	119	137.8 Å²	137.8	64%	0.636	74%	0.738	S	S	*	*			trans	-63.3	95.3	169.9	-70.4	-16.6	0	0	0	109	I241	I241-N243 WeakPolarHBondContact CG2-OD1 3.36Å; I241-N243 PolarHBondContact O-N 3.41Å
244	N	32.2	Very low	30.9	Very low	128 Å²	128	136.2 Å²	136.2	68%	0.684	73%	0.73	S	S	*	*			trans	-95.2	56.7	155.1	-86.9	-8.4	0	0	0	109.2	E242 N246	E242-N244 PolarHBondContact O-N 3.06Å; N244-N246 PolarHBondContact O-N 3.26Å
245	E	31.7	Very low	32.1	Very low	163 Å²	163	134.7 Å²	134.7	76%	0.762	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	92.7	159.9	-73.2	-173.5	161.2	0	0	106.8
246	N	28.9	Very low	33.7	Very low	165 Å²	165	132.7 Å²	132.7	88%	0.882	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	175.7	24.4	153.9	-88	-17.3	0	0	0	114.3	N244 S248	N244-N246 PolarHBondContact O-N 3.26Å; N246-S248 PolarHBondContact O-N 3.01Å
247	L	33	Very low	35.9	Very low	136 Å²	136	127.6 Å²	127.6	71%	0.712	67%	0.67	S	S	*	*			trans	-90	107.9	168.7	-80.5	133.5	0	0	0	109.7
248	S	27.1	Very low	38.8	Very low	94 Å²	94	122.1 Å²	122.1	66%	0.657	64%	0.642	S	S	*	*			trans	-49.3	136.3	175.8	-169.6	0	0	0	0	111.6	N246 N250	N246-S248 PolarHBondContact O-N 3.01Å; S248-N250 PolarHBondContact O-N 3.08Å
249	P	37.6	Very low	41.6	Very low	123 Å²	123	118.4 Å²	118.4	80%	0.799	63%	0.625	S	S	*	*			trans	-78.4	26.2	-169.4	32.4	-35.2	0	0	0	114.7	H251	P249-H251 PolarHBondContact O-N 2.92Å
250	N	28.8	Very low	44.5	Very low	125 Å²	125	116.4 Å²	116.4	67%	0.668	61%	0.614	S	S	*	*	S	Bend	trans	-91.7	95.7	178.3	-75.1	-17.5	0	0	0	111.5	S248 H252	S248-N250 PolarHBondContact O-N 3.08Å; N250-H252 PolarHBondContact O-N 3.48Å
251	H	30	Very low	47.3	Very low	183 Å²	183	110 Å²	110	85%	0.847	59%	0.586	S	S	*	*	S	Bend	trans	62	39	144.8	-77.5	-32.2	0	0	0	121.6	P249	P249-H251 PolarHBondContact O-N 2.92Å
252	H	32.3	Very low	50.4	Low	166 Å²	166	110.6 Å²	110.6	77%	0.769	59%	0.593	S	S	*	*			trans	-125.4	118.7	154	-63.4	-71.4	0	0	0	108.6	N250	N250-H252 PolarHBondContact O-N 3.48Å
253	L	36	Very low	53.5	Low	104 Å²	104	103.4 Å²	103.4	55%	0.545	56%	0.56	S	S	.	*			trans	-46.3	129.8	157	-83.8	80.2	0	0	0	105	L255 V259	L253-L255 PolarHBondContact O-N 2.82Å; L253-V259 HydrophobicContact CD2-CG2 3.75Å
254	P	45.3	Very low	56.7	Low	82 Å²	82	100 Å²	100	53%	0.532	55%	0.546	S	S	.	.			trans	-53.2	114.1	172.7	-15.1	25.7	0	0	0	105.3	D256 S257	P254-D256 PolarHBondContact O-N 2.86Å; P254-S257 PolarHBondContact O-N 3.05Å
255	L	49.7	Very low	59.7	Low	82 Å²	82	97.8 Å²	97.8	43%	0.429	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-17.1	178.3	-78	148.3	0	0	0	110.5	F222 L253	F222-L255 WeakPolarHBondContact CD1-O 3.42Å; F222-L255 WeakPolarHBondContact CE1-O 3.42Å; L253-L255 PolarHBondContact O-N 2.82Å
256	D	61.6	Low	62.8	Low	76 Å²	76	96.4 Å²	96.4	41%	0.406	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-5.3	176.9	-68	-55.4	0	0	0	116.6	T223 P254	T223-D256 PolarHBondContact OG1-OD1 2.75Å; P254-D256 PolarHBondContact O-N 2.86Å
257	S	74.2	Confident	66.1	Low	55 Å²	55	89.3 Å²	89.3	39%	0.385	49%	0.489	S	S	.	.			trans	-125	141.1	-176.4	67.6	0	0	0	0	114.6	P254	P254-S257 PolarHBondContact O-N 3.05Å
258	C	85.6	Confident	69.1	Low	23 Å²	23	83.6 Å²	83.6	16%	0.155	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-82.6	138.5	173	-53.9	0	0	0	0	110.5	C195 Q197 L225	C195-C258 HydrophobicContact CB-CB 3.79Å; C195-C258 WeakPolarHBondContact CB-SG 3.28Å; C195-C258 WeakPolarHBondContact O-CA 3.41Å; C195-C258 WeakPolarHBondContact SG-CB 3.37Å; C195-C258 CovalentContact SG-SG 2.03Å; C195-C258 PolarHBondContact SG-SG 2.96Å; Q197-C258 HydrophobicContact CB-CB 3.97Å; L225-C258 WeakPolarHBondContact CD2-SG 2.94Å
259	V	89	Confident	72.4	Confident	78 Å²	78	79.4 Å²	79.4	47%	0.473	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	135.4	172.1	-178	0	0	0	0	108.6	C195 I196 Q197 L253 G261	C195-V259 PolarHBondContact O-N 3.1Å; I196-V259 CarbonylContact C-O 3.55Å; I196-V259 VanDerWaalsContact CA-O 3.29Å; I196-V259 WeakPolarHBondContact CA-O 3.4Å; Q197-V259 PolarHBondContact N-O 3.08Å; L253-V259 HydrophobicContact CD2-CG2 3.75Å; V259-G261 PolarHBondContact O-N 2.87Å
260	Y	90.2	Very high	75.1	Confident	138 Å²	138	80.1 Å²	80.1	54%	0.541	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	129.1	171.4	-72.3	-78.1	0	0	0	110.4	Q197	Q197-Y260 HydrophobicContact CB-CD1 4.14Å; Q197-Y260 HydrophobicContact CB-CE1 4.26Å; Q197-Y260 HydrophobicContact CG-CD1 4.16Å; Q197-Y260 HydrophobicContact CG-CE1 3.9Å; Q197-Y260 WeakPolarHBondContact O-CA 3.45Å; Q197-Y260 PolarHBondContact OE1-OH 3.35Å
261	G	90.7	Very high	78.2	Confident	18 Å²	18	79.5 Å²	79.5	19%	0.186	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	164.4	-178.6	0	0	0	0	0	113.3	Q197 C198 I199 V259	Q197-G261 PolarHBondContact O-N 3.22Å; C198-G261 WeakPolarHBondContact CA-O 3.47Å; I199-G261 WeakPolarHBondContact CG1-O 3.21Å; I199-G261 PolarHBondContact N-O 2.05Å; V259-G261 PolarHBondContact O-N 2.87Å
262	V	94.2	Very high	81.4	Confident	109 Å²	109	71.9 Å²	71.9	66%	0.661	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-80.6	121.4	173.3	-178.4	0	0	0	0	108.4	I199 Q200	I199-V262 HydrophobicContact CD1-CG2 4.43Å; Q200-V262 VanDerWaalsContact NE2-CG1 3.33Å
263	C	96.2	Very high	84.4	Confident	4 Å²	4	69.4 Å²	69.4	3%	0.027	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-95.1	145.8	176.3	-67.9	0	0	0	0	111	C198 Q200 M267 L268	C198-C263 WeakPolarHBondContact CA-SG 3.46Å; C198-C263 HydrophobicContact CB-CB 3.73Å; C198-C263 WeakPolarHBondContact CB-SG 3.39Å; C198-C263 WeakPolarHBondContact SG-CB 2.82Å; C198-C263 CovalentContact SG-SG 2.03Å; C198-C263 PolarHBondContact SG-SG 3.02Å; Q200-C263 PolarHBondContact NE2-O 2.83Å; C263-M267 HydrophobicContact CB-CB 3.87Å; C263-L268 HydrophobicContact CB-CD2 4.07Å; C263-L268 HydrophobicContact CB-CG 4.04Å
264	S	96.1	Very high	87.3	Confident	48 Å²	48	65.7 Å²	65.7	34%	0.336	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-72.8	166.2	170	60.7	0	0	0	0	111.3	E266 M267 L268	S264-E266 PolarHBondContact O-N 3.26Å; S264-M267 WeakPolarHBondContact O-CB 3.49Å; S264-M267 PolarHBondContact O-N 3.33Å; S264-M267 VanDerWaalsContact O-N 3.11Å; S264-M267 WeakPolarHBondContact OG-CG 3.27Å; S264-M267 PolarHBondContact OG-N 2.83Å; S264-L268 WeakPolarHBondContact O-CG 3.37Å; S264-L268 PolarHBondContact O-N 3.34Å
265	D	96.2	Very high	89.7	Confident	81 Å²	81	62.2 Å²	62.2	43%	0.433	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-31.3	174.4	-72	-35.4	0	0	0	112.4	L268 C269 R270	D265-L268 CarbonylContact O-C 3.26Å; D265-L268 PolarHBondContact O-N 3.03Å; D265-C269 PolarHBondContact O-N 3.29Å; D265-C269 VanDerWaalsContact O-N 3.11Å; D265-R270 HydrophobicContact CB-CB 4.45Å; D265-R270 PolarHBondContact O-N 3.16Å; D265-R270 VanDerWaalsContact OD1-CD 3.26Å; D265-R270 WeakPolarHBondContact OD1-CD 3.23Å; D265-R270 IonicContact OD1-CZ 3.4Å; D265-R270 IonicContact OD1-NE 3.99Å; D265-R270 IonicContact OD1-NH1 3.67Å; D265-R270 PolarHBondContact OD1-NH1 3.43Å
266	E	96.9	Very high	91.9	Very high	134 Å²	134	62.4 Å²	62.4	63%	0.626	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-44.2	172.3	-59.4	175.4	173.4	0	0	111.7	F171 S264 L268 C269	F171-E266 HydrophobicContact CE1-CB 4.42Å; F171-E266 HydrophobicContact CZ-CB 3.83Å; S264-E266 PolarHBondContact O-N 3.26Å; E266-L268 VanDerWaalsContact C-N 3.25Å; E266-L268 PolarHBondContact O-N 3.38Å; E266-C269 WeakPolarHBondContact O-CA 3.34Å; E266-C269 PolarHBondContact O-N 2.83Å
267	M	96.8	Very high	93.6	Very high	16 Å²	16	61.5 Å²	61.5	8%	0.079	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-32.4	175	-75.6	174.2	-173.1	0	0	112.2	F171 T173 V206 R208 C263 S264 C269	F171-M267 HydrophobicContact CB-CE 4.42Å; F171-M267 HydrophobicContact CD1-CE 3.8Å; F171-M267 HydrophobicContact CD1-CG 4.05Å; F171-M267 HydrophobicContact CD2-CB 4.45Å; F171-M267 HydrophobicContact CD2-CG 3.81Å; F171-M267 HydrophobicContact CE1-CE 4.32Å; F171-M267 HydrophobicContact CE1-CG 4.1Å; F171-M267 VanDerWaalsContact CE2-CA 3.49Å; F171-M267 HydrophobicContact CE2-CB 4.28Å; F171-M267 HydrophobicContact CE2-CG 3.87Å; F171-M267 HydrophobicContact CG-CE 4.13Å; F171-M267 HydrophobicContact CG-CG 3.92Å; F171-M267 HydrophobicContact CZ-CG 4.02Å; T173-M267 WeakPolarHBondContact CG2-O 3.37Å; T173-M267 PolarHBondContact OG1-O 2.99Å; V206-M267 HydrophobicContact CG1-CB 4.5Å; V206-M267 HydrophobicContact CG1-CG 4.12Å; V206-M267 HydrophobicContact CG1-SD 4.31Å; V206-M267 HydrophobicContact CG2-CB 4.14Å; R208-M267 HydrophobicContact CG-CE 4.35Å; R208-M267 PolarHBondContact NH2-SD 3.47Å; C263-M267 HydrophobicContact CB-CB 3.87Å; S264-M267 WeakPolarHBondContact O-CB 3.49Å; S264-M267 PolarHBondContact O-N 3.33Å; S264-M267 VanDerWaalsContact O-N 3.11Å; S264-M267 WeakPolarHBondContact OG-CG 3.27Å; S264-M267 PolarHBondContact OG-N 2.83Å; M267-C269 PolarHBondContact O-N 2.81Å
268	L	96.7	Very high	94.5	Very high	16 Å²	16	60.1 Å²	60.1	8%	0.084	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	0.7	172.6	-63.8	173.5	0	0	0	112.9	C198 Q200 N201 V204 C263 S264 D265 E266 R270	C198-L268 HydrophobicContact CB-CD2 3.94Å; Q200-L268 HydrophobicContact CB-CD1 4.23Å; N201-L268 HydrophobicContact CB-CD2 4Å; V204-L268 HydrophobicContact CG1-CD2 4.42Å; C263-L268 HydrophobicContact CB-CD2 4.07Å; C263-L268 HydrophobicContact CB-CG 4.04Å; S264-L268 WeakPolarHBondContact O-CG 3.37Å; S264-L268 PolarHBondContact O-N 3.34Å; D265-L268 CarbonylContact O-C 3.26Å; D265-L268 PolarHBondContact O-N 3.03Å; E266-L268 VanDerWaalsContact C-N 3.25Å; E266-L268 PolarHBondContact O-N 3.38Å; L268-R270 HydrophobicContact CB-CG 4.05Å; L268-R270 PolarHBondContact O-N 3.2Å; L268-R270 VanDerWaalsContact O-N 3.16Å
269	C	96.6	Very high	94.9	Very high	6 Å²	6	65.8 Å²	65.8	4%	0.041	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	26.7	179.5	-64	0	0	0	0	114.7	C149 I152 T173 D265 E266 M267 D271 N272 L275	C149-C269 VanDerWaalsContact CA-SG 3.53Å; C149-C269 HydrophobicContact CB-CB 3.77Å; C149-C269 WeakPolarHBondContact CB-SG 3.43Å; C149-C269 VanDerWaalsContact SG-CA 3.51Å; C149-C269 WeakPolarHBondContact SG-CB 3.23Å; C149-C269 CovalentContact SG-SG 2.03Å; C149-C269 PolarHBondContact SG-SG 3.33Å; I152-C269 HydrophobicContact CD1-CB 4.33Å; I152-C269 HydrophobicContact CG2-CB 4.02Å; T173-C269 VanDerWaalsContact CB-SG 3.59Å; D265-C269 PolarHBondContact O-N 3.29Å; D265-C269 VanDerWaalsContact O-N 3.11Å; E266-C269 WeakPolarHBondContact O-CA 3.34Å; E266-C269 PolarHBondContact O-N 2.83Å; M267-C269 PolarHBondContact O-N 2.81Å; C269-D271 VanDerWaalsContact C-N 3.29Å; C269-D271 PolarHBondContact O-N 3.23Å; C269-N272 HydrophobicContact CB-CB 4.44Å; C269-L275 HydrophobicContact CB-CD2 3.8Å
270	R	94.4	Very high	95.1	Very high	139 Å²	139	65.4 Å²	65.4	53%	0.525	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-31	-175.6	-73	176.9	174.9	-179.9	-6	113.1	D265 L268 K276	D265-R270 HydrophobicContact CB-CB 4.45Å; D265-R270 PolarHBondContact O-N 3.16Å; D265-R270 VanDerWaalsContact OD1-CD 3.26Å; D265-R270 WeakPolarHBondContact OD1-CD 3.23Å; D265-R270 IonicContact OD1-CZ 3.4Å; D265-R270 IonicContact OD1-NE 3.99Å; D265-R270 IonicContact OD1-NH1 3.67Å; D265-R270 PolarHBondContact OD1-NH1 3.43Å; L268-R270 HydrophobicContact CB-CG 4.05Å; L268-R270 PolarHBondContact O-N 3.2Å; L268-R270 VanDerWaalsContact O-N 3.16Å; R270-K276 WeakPolarHBondContact O-CE 3.26Å; R270-K276 PolarHBondContact O-NZ 2.95Å
271	D	94	Very high	95.2	Very high	111 Å²	111	60.2 Å²	60.2	59%	0.594	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	10.9	-176.6	-66.7	-44.2	0	0	0	114.7	C269 L273 K276	C269-D271 VanDerWaalsContact C-N 3.29Å; C269-D271 PolarHBondContact O-N 3.23Å; D271-L273 PolarHBondContact O-N 2.83Å; D271-L273 VanDerWaalsContact O-N 3.1Å; D271-K276 IonicContact OD1-NZ 2.75Å; D271-K276 PolarHBondContact OD1-NZ 3.01Å
272	N	96	Very high	95.1	Very high	23 Å²	23	63.8 Å²	63.8	12%	0.123	34%	0.341	C	S	.	.			trans	-69	110.4	176.5	-174.3	-88.9	0	0	0	110.7	D147 C149 C269 P274 L275 K276	D147-N272 PolarHBondContact OD2-ND2 3.33Å; C149-N272 HydrophobicContact CB-CB 3.87Å; C149-N272 VanDerWaalsContact CB-CG 3.47Å; C149-N272 WeakPolarHBondContact CB-ND2 3.25Å; C269-N272 HydrophobicContact CB-CB 4.44Å; N272-P274 WeakPolarHBondContact OD1-CD 3.32Å; N272-L275 HydrophobicContact CB-CB 4.03Å; N272-L275 PolarHBondContact O-N 2.82Å; N272-L275 VanDerWaalsContact OD1-CB 3.26Å; N272-L275 WeakPolarHBondContact OD1-CB 3.4Å; N272-L275 PolarHBondContact OD1-N 2.86Å; N272-K276 PolarHBondContact O-N 3.28Å
273	L	96.2	Very high	94.7	Very high	114 Å²	114	61.6 Å²	61.6	60%	0.597	34%	0.34	S	S	*	.	H	α-helix	trans	-62	-47.5	-176.7	178.7	68	0	0	0	113.1	D271 L275 K276 Q277	D271-L273 PolarHBondContact O-N 2.83Å; D271-L273 VanDerWaalsContact O-N 3.1Å; L273-L275 VanDerWaalsContact C-N 3.28Å; L273-L275 PolarHBondContact O-N 3.35Å; L273-K276 PolarHBondContact O-N 3.29Å; L273-Q277 HydrophobicContact CD1-CG 4.42Å; L273-Q277 WeakPolarHBondContact O-CG 3.43Å; L273-Q277 PolarHBondContact O-N 2.83Å
274	P	96	Very high	94.4	Very high	26 Å²	26	65.9 Å²	65.9	17%	0.169	36%	0.36	C	S	.	.	H	α-helix	trans	-54.1	-44.1	175	-27.7	35.3	0	0	0	112.8	N124 A125 L126 N272 Q277 V278	N124-P274 HydrophobicContact CB-CB 4.04Å; N124-P274 HydrophobicContact CB-CG 4.12Å; A125-P274 HydrophobicContact CB-CB 4.44Å; L126-P274 HydrophobicContact CB-CB 3.91Å; N272-P274 WeakPolarHBondContact OD1-CD 3.32Å; P274-Q277 WeakPolarHBondContact O-CB 3.47Å; P274-Q277 PolarHBondContact O-N 3.48Å; P274-V278 WeakPolarHBondContact O-CG2 3.31Å; P274-V278 PolarHBondContact O-N 2.76Å
275	L	96.4	Very high	93.7	Very high	9 Å²	9	65.5 Å²	65.5	5%	0.047	36%	0.356	C	S	.	.	H	α-helix	trans	-63.7	-44.1	177.8	-177.6	65.1	0	0	0	112.3	A125 I152 C269 N272 L273 Q277 V278 Q279	A125-L275 HydrophobicContact CB-CB 4.01Å; A125-L275 HydrophobicContact CB-CD1 4.02Å; I152-L275 HydrophobicContact CG2-CD1 4.08Å; I152-L275 HydrophobicContact CG2-CD2 3.54Å; I152-L275 HydrophobicContact CG2-CG 4.44Å; C269-L275 HydrophobicContact CB-CD2 3.8Å; N272-L275 HydrophobicContact CB-CB 4.03Å; N272-L275 PolarHBondContact O-N 2.82Å; N272-L275 VanDerWaalsContact OD1-CB 3.26Å; N272-L275 WeakPolarHBondContact OD1-CB 3.4Å; N272-L275 PolarHBondContact OD1-N 2.86Å; L273-L275 VanDerWaalsContact C-N 3.28Å; L273-L275 PolarHBondContact O-N 3.35Å; L275-Q277 VanDerWaalsContact C-N 3.26Å; L275-Q277 PolarHBondContact O-N 3.48Å; L275-V278 PolarHBondContact O-N 3.29Å; L275-Q279 WeakPolarHBondContact O-CG 3.49Å; L275-Q279 PolarHBondContact O-N 2.91Å
276	K	96.6	Very high	92.7	Very high	87 Å²	87	70.3 Å²	70.3	38%	0.378	38%	0.376	S	S	.	.	H	α-helix	trans	-59	-39	175.2	-73.4	-178.7	-177.8	173.9	0	111.6	R270 D271 N272 L273 Q279 A280	R270-K276 WeakPolarHBondContact O-CE 3.26Å; R270-K276 PolarHBondContact O-NZ 2.95Å; D271-K276 IonicContact OD1-NZ 2.75Å; D271-K276 PolarHBondContact OD1-NZ 3.01Å; N272-K276 PolarHBondContact O-N 3.28Å; L273-K276 PolarHBondContact O-N 3.29Å; K276-Q279 PolarHBondContact O-N 2.86Å; K276-A280 WeakPolarHBondContact O-CB 3.48Å; K276-A280 PolarHBondContact O-N 3.32Å
277	Q	95.9	Very high	91.1	Very high	56 Å²	56	71.2 Å²	71.2	26%	0.262	38%	0.378	S	S	.	.	H	α-helix	trans	-65.4	-40.9	176.9	-70.1	176	-50	0	0	112.2	L126 L273 P274 L275 A280 G281 I282	L126-Q277 HydrophobicContact CD1-CB 4.19Å; L273-Q277 HydrophobicContact CD1-CG 4.42Å; L273-Q277 WeakPolarHBondContact O-CG 3.43Å; L273-Q277 PolarHBondContact O-N 2.83Å; P274-Q277 WeakPolarHBondContact O-CB 3.47Å; P274-Q277 PolarHBondContact O-N 3.48Å; L275-Q277 VanDerWaalsContact C-N 3.26Å; L275-Q277 PolarHBondContact O-N 3.48Å; Q277-A280 CarbonylContact O-C 3.56Å; Q277-A280 PolarHBondContact O-N 2.76Å; Q277-G281 PolarHBondContact O-N 2.93Å; Q277-G281 VanDerWaalsContact O-N 3.1Å; Q277-I282 HydrophobicContact CB-CB 4.21Å; Q277-I282 HydrophobicContact CB-CD1 4.43Å; Q277-I282 HydrophobicContact CG-CD1 4.15Å; Q277-I282 PolarHBondContact O-N 3.03Å
278	V	94.5	Very high	89.3	Confident	26 Å²	26	72.4 Å²	72.4	16%	0.158	39%	0.386	C	S	.	.	H	α-helix	trans	-61.3	-48	173.5	176.3	0	0	0	0	111.1	W98 A125 L126 A129 P274 L275 A280 G281	W98-V278 HydrophobicContact CH2-CG1 4.44Å; A125-V278 HydrophobicContact CB-CG2 4.44Å; A125-V278 WeakPolarHBondContact O-CG2 3.36Å; L126-V278 HydrophobicContact CB-CG2 4.14Å; L126-V278 HydrophobicContact CD1-CG2 3.71Å; A129-V278 HydrophobicContact CB-CB 4.44Å; A129-V278 HydrophobicContact CB-CG1 4.02Å; A129-V278 HydrophobicContact CB-CG2 3.59Å; P274-V278 WeakPolarHBondContact O-CG2 3.31Å; P274-V278 PolarHBondContact O-N 2.76Å; L275-V278 PolarHBondContact O-N 3.29Å; V278-A280 PolarHBondContact O-N 3.46Å; V278-G281 PolarHBondContact O-N 3.33Å
279	Q	93.7	Very high	86.8	Confident	143 Å²	143	79 Å²	79	67%	0.668	42%	0.42	S	S	*	.	H	α-helix	trans	-62	-32	179.3	-70.2	171.6	-12.6	0	0	112.6	L275 K276 G281	L275-Q279 WeakPolarHBondContact O-CG 3.49Å; L275-Q279 PolarHBondContact O-N 2.91Å; K276-Q279 PolarHBondContact O-N 2.86Å; Q279-G281 VanDerWaalsContact C-N 3.33Å
280	A	93.5	Very high	84.4	Confident	70 Å²	70	82.5 Å²	82.5	58%	0.579	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-1.6	174.6	0	0	0	0	0	113.9	K276 Q277 V278 I282	K276-A280 WeakPolarHBondContact O-CB 3.48Å; K276-A280 PolarHBondContact O-N 3.32Å; Q277-A280 CarbonylContact O-C 3.56Å; Q277-A280 PolarHBondContact O-N 2.76Å; V278-A280 PolarHBondContact O-N 3.46Å; A280-I282 HydrophobicContact CB-CD1 3.97Å; A280-I282 HydrophobicContact CB-CG1 3.84Å; A280-I282 PolarHBondContact O-N 3.32Å
281	G	91.4	Very high	81.5	Confident	28 Å²	28	80 Å²	80	29%	0.289	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	20.9	-178.3	0	0	0	0	0	114.3	Q277 V278 Q279 G283 Q284	Q277-G281 PolarHBondContact O-N 2.93Å; Q277-G281 VanDerWaalsContact O-N 3.1Å; V278-G281 PolarHBondContact O-N 3.33Å; Q279-G281 VanDerWaalsContact C-N 3.33Å; G281-G283 PolarHBondContact O-N 2.86Å; G281-Q284 WeakPolarHBondContact O-CB 3.35Å; G281-Q284 PolarHBondContact O-N 2.83Å
282	I	89.2	Confident	78.6	Confident	94 Å²	94	82.6 Å²	82.6	48%	0.482	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	124.9	-174.2	-63.3	175.8	0	0	0	110	W98 Q277 A280 Q284	W98-I282 PolarHBondContact NE1-O 3.1Å; Q277-I282 HydrophobicContact CB-CB 4.21Å; Q277-I282 HydrophobicContact CB-CD1 4.43Å; Q277-I282 HydrophobicContact CG-CD1 4.15Å; Q277-I282 PolarHBondContact O-N 3.03Å; A280-I282 HydrophobicContact CB-CD1 3.97Å; A280-I282 HydrophobicContact CB-CG1 3.84Å; A280-I282 PolarHBondContact O-N 3.32Å; I282-Q284 PolarHBondContact O-N 3.49Å
283	G	86.7	Confident	75.4	Confident	62 Å²	62	86.5 Å²	86.5	64%	0.639	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	12.8	179.9	0	0	0	0	0	114	W98 G281 P285	W98-G283 VanDerWaalsContact CD1-O 3.23Å; G281-G283 PolarHBondContact O-N 2.86Å; G283-P285 WeakPolarHBondContact O-CD 3.38Å
284	Q	88	Confident	72.3	Confident	95 Å²	95	86.1 Å²	86.1	44%	0.444	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-60.4	123	174	-175.9	169.9	18.3	0	0	109.1	W98 G281 I282	W98-Q284 HydrophobicContact CD2-CB 4.18Å; W98-Q284 HydrophobicContact CD2-CG 4.31Å; W98-Q284 HydrophobicContact CE3-CB 4.23Å; W98-Q284 HydrophobicContact CE3-CG 3.89Å; W98-Q284 HydrophobicContact CH2-CB 3.75Å; W98-Q284 HydrophobicContact CH2-CG 3.78Å; W98-Q284 HydrophobicContact CZ2-CB 3.68Å; W98-Q284 HydrophobicContact CZ2-CG 4.21Å; W98-Q284 HydrophobicContact CZ3-CB 4.03Å; W98-Q284 HydrophobicContact CZ3-CG 3.61Å; G281-Q284 WeakPolarHBondContact O-CB 3.35Å; G281-Q284 PolarHBondContact O-N 2.83Å; I282-Q284 PolarHBondContact O-N 3.49Å
285	P	83.3	Confident	69.1	Low	39 Å²	39	91 Å²	91	25%	0.253	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-63.4	143.2	173.7	25.9	-32.3	0	0	0	109.3	W98 S101 G283 K287	W98-P285 HydrophobicContact CB-CG 4.14Å; S101-P285 WeakPolarHBondContact OG-CG 3.44Å; G283-P285 WeakPolarHBondContact O-CD 3.38Å; P285-K287 PolarHBondContact O-N 3.31Å
286	E	74	Confident	66.2	Low	183 Å²	183	97.2 Å²	97.2	86%	0.855	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-53.3	132.7	171.2	-68.4	-175	176	0	0	108.9	P288	E286-P288 VanDerWaalsContact O-CD 3.26Å; E286-P288 WeakPolarHBondContact O-CD 3.33Å
287	K	64.4	Low	63	Low	153 Å²	153	101.2 Å²	101.2	67%	0.665	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-56.7	118	176.9	-75.5	-176.8	-179.9	-180	0	107.2	P285 I289	P285-K287 PolarHBondContact O-N 3.31Å; K287-I289 PolarHBondContact O-N 3.48Å; K287-I289 VanDerWaalsContact O-N 3.16Å
288	P	57.9	Low	59.7	Low	41 Å²	41	105 Å²	105	27%	0.266	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-58.9	128.9	174.3	24.2	-32.2	0	0	0	107.4	N102 V105 E286 I290	N102-P288 WeakPolarHBondContact OD1-CD 3.46Å; V105-P288 HydrophobicContact CG2-CG 4.43Å; E286-P288 VanDerWaalsContact O-CD 3.26Å; E286-P288 WeakPolarHBondContact O-CD 3.33Å; P288-I290 VanDerWaalsContact C-N 3.29Å; P288-I290 PolarHBondContact O-N 3.36Å
289	I	44.4	Very low	56.6	Low	154 Å²	154	111.9 Å²	111.9	79%	0.79	61%	0.609	S	S	*	*			trans	-66.5	99.4	167.9	-56.2	172.3	0	0	0	104.9	K287 E291	K287-I289 PolarHBondContact O-N 3.48Å; K287-I289 VanDerWaalsContact O-N 3.16Å; I289-E291 HydrophobicContact CG2-CG 4.01Å; I289-E291 PolarHBondContact O-N 2.92Å
290	I	45.4	Very low	53.4	Low	79 Å²	79	111.7 Å²	111.7	41%	0.405	61%	0.611	S	S	.	*			trans	-72.6	85.6	172.8	-54.7	173	0	0	0	106.1	V105 P288 I292	V105-I290 HydrophobicContact CB-CD1 4.25Å; V105-I290 HydrophobicContact CG1-CD1 3.82Å; V105-I290 HydrophobicContact CG1-CG1 4.49Å; P288-I290 VanDerWaalsContact C-N 3.29Å; P288-I290 PolarHBondContact O-N 3.36Å; I290-I292 PolarHBondContact O-N 3.03Å
291	E	33.2	Very low	50.2	Low	88 Å²	88	113.9 Å²	113.9	41%	0.411	62%	0.619	S	S	.	*			trans	-71.5	113.5	161.4	-72.2	-163.9	153.7	0	0	107.4	I289 V293 H347	I289-E291 HydrophobicContact CG2-CG 4.01Å; I289-E291 PolarHBondContact O-N 2.92Å; E291-V293 HydrophobicContact CB-CG2 3.93Å; E291-V293 PolarHBondContact O-N 3.4Å; E291-H347 IonicContact OE1-ND1 3.96Å
292	I	34.8	Very low	47.1	Very low	165 Å²	165	119.7 Å²	119.7	85%	0.846	64%	0.644	S	S	*	*			trans	-70.4	88.3	166.7	-58.3	168.7	0	0	0	106	I290 S294	I290-I292 PolarHBondContact O-N 3.03Å; I292-S294 PolarHBondContact O-N 2.83Å
293	V	28.4	Very low	44.1	Very low	104 Å²	104	121.6 Å²	121.6	63%	0.63	66%	0.66	S	S	*	*			trans	-81.1	100.7	178	-176.4	0	0	0	0	108.6	E291	E291-V293 HydrophobicContact CB-CG2 3.93Å; E291-V293 PolarHBondContact O-N 3.4Å
294	S	30	Very low	41.2	Very low	106 Å²	106	124.5 Å²	124.5	74%	0.741	67%	0.666	S	S	*	*			trans	-87.7	124.3	152.2	-174.4	0	0	0	0	106.8	I292 D296	I292-S294 PolarHBondContact O-N 2.83Å; S294-D296 PolarHBondContact O-N 3Å
295	N	29.6	Very low	38.4	Very low	130 Å²	130	124.9 Å²	124.9	70%	0.695	68%	0.679	S	S	*	*	S	Bend	trans	-47.2	123	-176.6	-61.9	-5.2	0	0	0	112.9
296	D	35.5	Very low	35.5	Very low	138 Å²	138	131 Å²	131	74%	0.738	71%	0.706	S	S	*	*				167.3	161.7	122.8	-81.6	-15.1	0	0	0	113	S294	S294-D296 PolarHBondContact O-N 3Å
297	E	29.8	Very low	33.2	Very low	172 Å²	172	128.7 Å²	128.7	80%	0.804	70%	0.699	S	S	*	*			trans	-79.8	147.6	-145.7	-63.8	171	134.9	0	0	119.5
298	I	26.9	Very low	31.2	Very low	136 Å²	136	128.1 Å²	128.1	70%	0.697	70%	0.703	S	S	*	*			trans	28.2	112.9	133.9	-47.1	172.4	0	0	0	118.9
299	L	28.6	Very low	29.9	Very low	170 Å²	170	137.7 Å²	137.7	89%	0.89	74%	0.735	S	S	*	*			trans	-149.3	123.7	139.1	-107	148	0	0	0	111.2
300	I	25.6	Very low	29	Very low	139 Å²	139	136.5 Å²	136.5	71%	0.713	73%	0.73	S	S	*	*			trans	-72.7	131.6	-175.3	-59.2	156.2	0	0	0	110.3
301	P	27.1	Very low	28.1	Very low	115 Å²	115	137.3 Å²	137.3	75%	0.747	74%	0.743	S	S	*	*			trans	-108.4	110.5	155.3	15.6	4.2	0	0	0	110	T303	P301-T303 PolarHBondContact O-N 2.82Å
302	N	25.5	Very low	27.9	Very low	150 Å²	150	142.7 Å²	142.7	80%	0.802	77%	0.771	S	S	*	*			trans	-59.6	124.3	151.5	-86.3	-13.9	0	0	0	108.2
303	T	27.6	Very low	27.4	Very low	135 Å²	135	142.8 Å²	142.8	83%	0.828	77%	0.768	S	S	*	*			trans	-160.2	120.1	135.2	18.8	0	0	0	0	111.1	P301	P301-T303 PolarHBondContact O-N 2.82Å
304	T	26.1	Very low	27.3	Very low	123 Å²	123	146.6 Å²	146.6	76%	0.755	78%	0.784	S	S	*	*			trans	-51.9	147.6	163.3	40.3	0	0	0	0	113.8
305	S	27.3	Very low	27	Very low	103 Å²	103	146.7 Å²	146.7	72%	0.72	78%	0.78	S	S	*	*			trans	54.4	114.3	145.4	63	0	0	0	0	118.8
306	M	23.5	Very low	26.8	Very low	167 Å²	167	145.2 Å²	145.2	82%	0.823	78%	0.78	S	S	*	*				-175	139	109.9	-106.3	-179.6	171.4	0	0	112.8
307	D	25.3	Very low	26.4	Very low	135 Å²	135	146.1 Å²	146.1	72%	0.722	78%	0.783	S	S	*	*			trans	89.1	96.8	146.1	-55.9	-17.7	0	0	0	121.5
308	L	22.2	Very low	26	Very low	140 Å²	140	146.2 Å²	146.2	73%	0.733	78%	0.784	S	S	*	*				-6	127.7	129	-83.9	81.3	0	0	0	115.6
309	Y	30.8	Very low	26.1	Very low	242 Å²	242	145.1 Å²	145.1	95%	0.949	79%	0.785	S	S	*	*			trans	-134.1	134.6	131.1	-112.2	-88.9	0	0	0	110.1
310	D	26.3	Very low	25.9	Very low	129 Å²	129	144.2 Å²	144.2	69%	0.69	78%	0.78	S	S	*	*			trans	-72.2	152.9	-167.3	-93.6	-52.1	0	0	0	116.2
311	S	26.7	Very low	25.7	Very low	97 Å²	97	145.3 Å²	145.3	68%	0.678	79%	0.786	S	S	*	*			trans	71.7	108	137.3	70.4	0	0	0	0	120.8
312	M	28.5	Very low	25.8	Very low	201 Å²	201	146.8 Å²	146.8	99%	0.99	79%	0.788	S	S	*	*				-134.9	105	123.8	-106.2	-174.3	155.4	0	0	108.1
313	Q	24.8	Very low	25.9	Very low	166 Å²	166	146 Å²	146	78%	0.776	79%	0.789	S	S	*	*			trans	-69.2	129.8	178.4	-75.3	-178.2	-14.1	0	0	110.8
314	L	25.1	Very low	25.7	Very low	184 Å²	184	146.1 Å²	146.1	96%	0.963	79%	0.789	S	S	*	*			trans	-102.4	94.4	160.8	-153.2	84.2	0	0	0	107.3
315	T	23.6	Very low	26.4	Very low	108 Å²	108	145.4 Å²	145.4	66%	0.663	79%	0.787	S	S	*	*			trans	-106.6	127.9	175.5	32	0	0	0	0	110.8
316	S	26.1	Very low	26.3	Very low	99 Å²	99	145.6 Å²	145.6	69%	0.692	79%	0.788	S	S	*	*				116.8	114.3	129.4	112.2	0	0	0	0	118.1
317	I	27.8	Very low	26.4	Very low	157 Å²	157	145.3 Å²	145.3	81%	0.805	79%	0.788	S	S	*	*			trans	108	114.8	130.3	-60.2	160.6	0	0	0	118.2
318	Q	20.9	Very low	26.6	Very low	175 Å²	175	146.1 Å²	146.1	82%	0.818	79%	0.791	S	S	*	*			trans	-60.4	164.7	170.2	-60.3	166.5	-57.4	0	0	113.7
319	P	28.3	Very low	26.6	Very low	113 Å²	113	146.9 Å²	146.9	73%	0.734	79%	0.791	S	S	*	*				-132.7	128.8	123.8	33.3	-20.5	0	0	0	114.2
320	I	25.3	Very low	26.4	Very low	151 Å²	151	141.1 Å²	141.1	77%	0.774	78%	0.783	S	S	*	*			trans	67	98	130.5	-51.7	168	0	0	0	118.2
321	L	20.4	Very low	26.4	Very low	162 Å²	162	140.7 Å²	140.7	85%	0.848	78%	0.779	S	S	*	*			trans	-44.7	132	149	-157.6	78.7	0	0	0	113
322	N	29.4	Very low	26.6	Very low	146 Å²	146	143 Å²	143	78%	0.781	78%	0.784	S	S	*	*			trans	-154	126.1	148	-101.5	-11	0	0	0	112.3
323	T	27.8	Very low	26.5	Very low	134 Å²	134	139.6 Å²	139.6	82%	0.822	78%	0.775	S	S	*	*			trans	75.5	104.4	155.8	56.9	0	0	0	0	122.1
324	T	24	Very low	26.7	Very low	136 Å²	136	137 Å²	137	83%	0.834	77%	0.771	S	S	*	*			trans	-75.5	175.2	146.2	0.6	0	0	0	0	110.9
325	P	39.9	Very low	26.9	Very low	109 Å²	109	131.8 Å²	131.8	71%	0.708	75%	0.749	S	S	*	*			cis	-137.9	165.8	-5.8	38.4	-19.7	0	0	0	115.9
326	S	26.3	Very low	27.2	Very low	107 Å²	107	132.8 Å²	132.8	75%	0.748	76%	0.755	S	S	*	*				162.3	115.4	119.3	50.1	0	0	0	0	113.3
327	I	24.4	Very low	27.3	Very low	160 Å²	160	137.4 Å²	137.4	82%	0.821	76%	0.759	S	S	*	*			trans	23.3	114.4	133.4	-52.9	162.9	0	0	0	116.3
328	I	30.7	Very low	27.1	Very low	152 Å²	152	136.5 Å²	136.5	78%	0.779	76%	0.756	S	S	*	*				-164.1	112.2	118.2	-84.5	147.7	0	0	0	106.5
329	E	21.7	Very low	27.4	Very low	157 Å²	157	134.9 Å²	134.9	73%	0.734	75%	0.751	S	S	*	*			trans	-61.2	142.5	157.4	-81.6	174.8	131.4	0	0	109.3	I331	E329-I331 HydrophobicContact CG-CG1 4.48Å
330	P	26.9	Very low	27.3	Very low	120 Å²	120	134.6 Å²	134.6	78%	0.779	75%	0.747	S	S	*	*				-124.4	122.7	109.2	32.2	-25.9	0	0	0	111.1	N332	P330-N332 PolarHBondContact O-N 3.04Å
331	I	26.8	Very low	27.4	Very low	121 Å²	121	133.8 Å²	133.8	62%	0.621	74%	0.743	S	S	*	*			trans	-53.2	114.4	160.7	-62.6	156	0	0	0	108.2	E329	E329-I331 HydrophobicContact CG-CG1 4.48Å
332	N	29.4	Very low	27.6	Very low	145 Å²	145	132.5 Å²	132.5	78%	0.775	74%	0.736	S	S	*	*			trans	-144.7	65.7	150.1	-144.2	19.6	0	0	0	109.2	P330 T334	P330-N332 PolarHBondContact O-N 3.04Å; N332-T334 PolarHBondContact O-N 3.34Å
333	T	26.9	Very low	27.6	Very low	129 Å²	129	131.6 Å²	131.6	79%	0.791	74%	0.736	S	S	*	*			trans	-74.4	78.9	168.6	49.3	0	0	0	0	108.8	S335	T333-S335 PolarHBondContact O-N 2.92Å
334	T	28.9	Very low	27.5	Very low	113 Å²	113	133.3 Å²	133.3	69%	0.693	73%	0.732	S	S	*	*			trans	-78.5	97.7	158.1	-5.7	0	0	0	0	106.7	N332 V336	N332-T334 PolarHBondContact O-N 3.34Å; T334-V336 PolarHBondContact O-N 3.2Å
335	S	29.9	Very low	27.9	Very low	74 Å²	74	137 Å²	137	52%	0.517	73%	0.732	S	S	.	*			trans	-2.8	107.4	165	55	0	0	0	0	115	T333 Y337	T333-S335 PolarHBondContact O-N 2.92Å; S335-Y337 PolarHBondContact O-N 2.92Å
336	V	28.9	Very low	27.4	Very low	129 Å²	129	135 Å²	135	78%	0.782	73%	0.731	S	S	*	*			trans	-56.8	109.4	154.2	177.8	0	0	0	0	105.8	T334 D338	T334-V336 PolarHBondContact O-N 3.2Å; V336-D338 PolarHBondContact O-N 3.34Å
337	Y	28.6	Very low	27.7	Very low	196 Å²	196	138.3 Å²	138.3	77%	0.769	73%	0.734	S	S	*	*			trans	-64.6	104.3	164.8	-70.5	-84.1	0	0	0	106.3	S335 I339	S335-Y337 PolarHBondContact O-N 2.92Å; Y337-I339 VanDerWaalsContact C-N 3.28Å; Y337-I339 PolarHBondContact O-N 3.1Å
338	D	24.9	Very low	28.5	Very low	138 Å²	138	134.6 Å²	134.6	74%	0.738	72%	0.723	S	S	*	*			trans	-59.7	99.6	158.4	-85.2	-28.2	0	0	0	106.6	V336 V340	V336-D338 PolarHBondContact O-N 3.34Å; D338-V340 HydrophobicContact CB-CG2 4.23Å; D338-V340 PolarHBondContact O-N 2.97Å
339	I	26.3	Very low	29	Very low	140 Å²	140	137.2 Å²	137.2	72%	0.718	73%	0.728	S	S	*	*			trans	-71.1	85	165.7	-57.1	176.1	0	0	0	105.3	Y337 I341	Y337-I339 VanDerWaalsContact C-N 3.28Å; Y337-I339 PolarHBondContact O-N 3.1Å; I339-I341 VanDerWaalsContact C-N 3.25Å; I339-I341 HydrophobicContact CG2-CD1 4.4Å; I339-I341 HydrophobicContact CG2-CG1 3.66Å; I339-I341 PolarHBondContact O-N 3.4Å
340	V	25.6	Very low	30.3	Very low	107 Å²	107	133.5 Å²	133.5	65%	0.648	72%	0.716	S	S	*	*			trans	-69.2	90.9	165.9	-177.1	0	0	0	0	106.3	D338 L342	D338-V340 HydrophobicContact CB-CG2 4.23Å; D338-V340 PolarHBondContact O-N 2.97Å; V340-L342 VanDerWaalsContact C-N 3.28Å; V340-L342 HydrophobicContact CG1-CD1 3.82Å; V340-L342 PolarHBondContact O-N 2.98Å
341	I	27.8	Very low	31.3	Very low	134 Å²	134	133.7 Å²	133.7	69%	0.687	71%	0.711	S	S	*	*			trans	-69	94.2	170.8	-56.3	-179.7	0	0	0	106.7	I339 T343	I339-I341 VanDerWaalsContact C-N 3.25Å; I339-I341 HydrophobicContact CG2-CD1 4.4Å; I339-I341 HydrophobicContact CG2-CG1 3.66Å; I339-I341 PolarHBondContact O-N 3.4Å; I341-T343 VanDerWaalsContact C-N 3.31Å; I341-T343 HydrophobicContact CG2-CG2 3.98Å; I341-T343 PolarHBondContact O-N 3.36Å
342	L	23.7	Very low	33.2	Very low	135 Å²	135	134.6 Å²	134.6	71%	0.707	71%	0.712	S	S	*	*			trans	-74.1	81.1	176.7	-137.3	95.3	0	0	0	108.9	V340 K344	V340-L342 VanDerWaalsContact C-N 3.28Å; V340-L342 HydrophobicContact CG1-CD1 3.82Å; V340-L342 PolarHBondContact O-N 2.98Å; L342-K344 VanDerWaalsContact C-N 3.25Å; L342-K344 PolarHBondContact O-N 2.93Å
343	T	31.2	Very low	35	Very low	128 Å²	128	137.3 Å²	137.3	79%	0.785	71%	0.712	S	S	*	*			trans	-76.5	80.8	168.3	54.4	0	0	0	0	109.2	I341	I341-T343 VanDerWaalsContact C-N 3.31Å; I341-T343 HydrophobicContact CG2-CG2 3.98Å; I341-T343 PolarHBondContact O-N 3.36Å
344	K	25.5	Very low	36.7	Very low	170 Å²	170	136.4 Å²	136.4	74%	0.739	70%	0.698	S	S	*	*			trans	-116.9	84.4	174.4	-168.7	-176.3	-178.8	-178.7	0	110.6	L342	L342-K344 VanDerWaalsContact C-N 3.25Å; L342-K344 PolarHBondContact O-N 2.93Å
345	Y	31.6	Very low	38.4	Very low	214 Å²	214	137 Å²	137	84%	0.839	69%	0.691	S	S	*	*			trans	-146.8	126.1	157.2	-67	-83.9	0	0	0	104.5
346	G	30.3	Very low	40.6	Very low	65 Å²	65	138.2 Å²	138.2	67%	0.67	69%	0.691	S	S	*	*			cis	138.5	64	15.3	0	0	0	0	0	107.2
347	H	31.7	Very low	42.8	Very low	177 Å²	177	141.2 Å²	141.2	82%	0.819	69%	0.688	S	S	*	*			trans	-59	127.7	-173.5	-70	-56.5	0	0	0	113.8	E291	E291-H347 IonicContact OE1-ND1 3.96Å
348	S	41	Very low	45.1	Very low	83 Å²	83	136.7 Å²	136.7	58%	0.58	68%	0.676	S	S	*	*			trans	-121.3	106.5	155.2	68	0	0	0	0	110.3	T350	S348-T350 PolarHBondContact O-N 2.86Å
349	K	42.4	Very low	47.7	Very low	206 Å²	206	134 Å²	134	90%	0.896	67%	0.665	S	S	*	*			trans	-75.6	106.2	167.8	-86.2	177.9	174.8	173.6	0	107.7	D351	K349-D351 PolarHBondContact O-N 3.12Å
350	T	48.5	Very low	50.2	Low	79 Å²	79	129.5 Å²	129.5	49%	0.485	65%	0.646	S	S	.	*			trans	-71.7	112.7	167.4	60.3	0	0	0	0	109	S348	S348-T350 PolarHBondContact O-N 2.86Å
351	D	48.1	Very low	53	Low	124 Å²	124	127.1 Å²	127.1	66%	0.663	64%	0.637	S	S	*	*			trans	-65.2	146.8	176.7	-120.7	-26.4	0	0	0	110.8	K349 R353 Q354	K349-D351 PolarHBondContact O-N 3.12Å; D351-R353 PolarHBondContact O-N 3.12Å; D351-Q354 PolarHBondContact O-N 3.03Å
352	H	65.9	Low	55.9	Low	140 Å²	140	125.3 Å²	125.3	65%	0.648	63%	0.628	S	S	*	*	H	α-helix	trans	-51.6	-26.6	-177.8	-172.3	-65	0	0	0	113.1	I356	H352-I356 WeakPolarHBondContact ND1-CD1 3.39Å; H352-I356 WeakPolarHBondContact O-CG1 3.46Å; H352-I356 PolarHBondContact O-N 2.61Å
353	R	66.4	Low	58.9	Low	203 Å²	203	123 Å²	123	77%	0.766	62%	0.616	S	S	*	*	H	α-helix	trans	-62.8	-37.7	174.4	-77.8	-176.8	163.9	-133.7	-2.7	113.3	D351 I356 W357	D351-R353 PolarHBondContact O-N 3.12Å; R353-I356 PolarHBondContact O-N 3.29Å; R353-W357 VanDerWaalsContact O-CD1 3.23Å; R353-W357 PolarHBondContact O-N 3.04Å
354	Q	63.3	Low	61.7	Low	109 Å²	109	121.2 Å²	121.2	51%	0.509	60%	0.6	S	S	.	*	H	α-helix	trans	-74.8	-33.1	-176.2	-148.2	174	4.5	0	0	111.6	D351 I356 W357 I358	D351-Q354 PolarHBondContact O-N 3.03Å; Q354-I356 VanDerWaalsContact C-N 3.32Å; Q354-I356 PolarHBondContact O-N 3.44Å; Q354-W357 PolarHBondContact O-N 3.39Å; Q354-I358 WeakPolarHBondContact O-CG1 3.48Å; Q354-I358 PolarHBondContact O-N 3.42Å
355	K	65.3	Low	64.8	Low	127 Å²	127	118.9 Å²	118.9	55%	0.552	60%	0.595	S	S	*	*	H	α-helix	trans	-60.2	-41.2	170.6	-69.2	-176.6	178	179.5	0	112	W357 I358 V359	K355-W357 VanDerWaalsContact C-N 3.32Å; K355-W357 PolarHBondContact O-N 2.96Å; K355-I358 PolarHBondContact O-N 3.32Å; K355-V359 WeakPolarHBondContact O-CG2 3.18Å; K355-V359 PolarHBondContact O-N 3.08Å; K355-V359 VanDerWaalsContact O-N 3.09Å
356	I	75.4	Confident	67.6	Low	98 Å²	98	113 Å²	113	50%	0.503	58%	0.577	S	S	.	*	H	α-helix	trans	-63.6	-39.1	176.1	-65.4	163.6	0	0	0	110.8	H352 R353 Q354 S360	H352-I356 WeakPolarHBondContact ND1-CD1 3.39Å; H352-I356 WeakPolarHBondContact O-CG1 3.46Å; H352-I356 PolarHBondContact O-N 2.61Å; R353-I356 PolarHBondContact O-N 3.29Å; Q354-I356 VanDerWaalsContact C-N 3.32Å; Q354-I356 PolarHBondContact O-N 3.44Å; I356-S360 WeakPolarHBondContact O-CB 3.43Å; I356-S360 PolarHBondContact O-N 2.75Å
357	W	74.7	Confident	70.4	Confident	192 Å²	192	114 Å²	114	73%	0.727	57%	0.566	S	S	*	*	H	α-helix	trans	-66.9	-42.1	177.4	-84.1	104.4	0	0	0	113.3	R353 Q354 K355 S360 A361	R353-W357 VanDerWaalsContact O-CD1 3.23Å; R353-W357 PolarHBondContact O-N 3.04Å; Q354-W357 PolarHBondContact O-N 3.39Å; K355-W357 VanDerWaalsContact C-N 3.32Å; K355-W357 PolarHBondContact O-N 2.96Å; W357-S360 PolarHBondContact O-N 2.75Å; W357-A361 WeakPolarHBondContact O-CB 3.44Å; W357-A361 PolarHBondContact O-N 2.82Å
358	I	77.2	Confident	73.2	Confident	101 Å²	101	110.3 Å²	110.3	52%	0.518	55%	0.552	S	S	.	*	H	α-helix	trans	-64.9	-46.5	178.3	-67.1	164	0	0	0	110.5	Q354 K355 S360 A361 I362	Q354-I358 WeakPolarHBondContact O-CG1 3.48Å; Q354-I358 PolarHBondContact O-N 3.42Å; K355-I358 PolarHBondContact O-N 3.32Å; I358-S360 VanDerWaalsContact C-N 3.33Å; I358-S360 PolarHBondContact O-N 3.24Å; I358-A361 PolarHBondContact O-N 2.92Å; I358-I362 HydrophobicContact CG2-CD1 3.98Å; I358-I362 WeakPolarHBondContact O-CG1 3.39Å; I358-I362 PolarHBondContact O-N 3.41Å
359	V	79.1	Confident	75.6	Confident	82 Å²	82	111.8 Å²	111.8	50%	0.497	55%	0.548	S	S	.	.	H	α-helix	trans	-63	-41.5	177.1	175.3	0	0	0	0	110.7	K355 I362 I363	K355-V359 WeakPolarHBondContact O-CG2 3.18Å; K355-V359 PolarHBondContact O-N 3.08Å; K355-V359 VanDerWaalsContact O-N 3.09Å; V359-I362 PolarHBondContact O-N 3.43Å; V359-I363 HydrophobicContact CG1-CD1 3.78Å; V359-I363 HydrophobicContact CG1-CG1 4.47Å; V359-I363 WeakPolarHBondContact O-CB 3.35Å; V359-I363 VanDerWaalsContact O-CG1 3.23Å; V359-I363 WeakPolarHBondContact O-CG1 3.39Å; V359-I363 PolarHBondContact O-N 3.32Å
360	S	79.3	Confident	77.9	Confident	46 Å²	46	107.1 Å²	107.1	32%	0.322	53%	0.532	S	S	.	.	H	α-helix	trans	-62.2	-42.9	175.1	-172.7	0	0	0	0	112.2	I356 W357 I358 I362 I363 I364	I356-S360 WeakPolarHBondContact O-CB 3.43Å; I356-S360 PolarHBondContact O-N 2.75Å; W357-S360 PolarHBondContact O-N 2.75Å; I358-S360 VanDerWaalsContact C-N 3.33Å; I358-S360 PolarHBondContact O-N 3.24Å; S360-I362 PolarHBondContact O-N 2.96Å; S360-I363 PolarHBondContact O-N 2.95Å; S360-I364 WeakPolarHBondContact O-CB 3.32Å; S360-I364 WeakPolarHBondContact O-CD1 3.4Å; S360-I364 VanDerWaalsContact O-CG1 3.22Å; S360-I364 WeakPolarHBondContact O-CG1 3.33Å; S360-I364 PolarHBondContact O-N 2.68Å
361	A	85.3	Confident	79.9	Confident	56 Å²	56	107.7 Å²	107.7	46%	0.463	53%	0.531	S	S	.	.	H	α-helix	trans	-63	-42	177.4	0	0	0	0	0	112.1	W357 I358 I364 L365	W357-A361 WeakPolarHBondContact O-CB 3.44Å; W357-A361 PolarHBondContact O-N 2.82Å; I358-A361 PolarHBondContact O-N 2.92Å; A361-I364 PolarHBondContact O-N 2.98Å; A361-L365 WeakPolarHBondContact O-CB 3.42Å; A361-L365 PolarHBondContact O-N 2.95Å
362	I	87.2	Confident	81.8	Confident	96 Å²	96	105.1 Å²	105.1	49%	0.492	52%	0.52	S	S	.	.	H	α-helix	trans	-63.3	-44.2	175.2	-66.8	167.4	0	0	0	110.4	I358 V359 S360 L365 I366	I358-I362 HydrophobicContact CG2-CD1 3.98Å; I358-I362 WeakPolarHBondContact O-CG1 3.39Å; I358-I362 PolarHBondContact O-N 3.41Å; V359-I362 PolarHBondContact O-N 3.43Å; S360-I362 PolarHBondContact O-N 2.96Å; I362-L365 PolarHBondContact O-N 3.45Å; I362-I366 HydrophobicContact CG2-CD1 4.01Å; I362-I366 WeakPolarHBondContact O-CG1 3.45Å; I362-I366 PolarHBondContact O-N 3.39Å
363	I	88.6	Confident	82.9	Confident	88 Å²	88	102.4 Å²	102.4	45%	0.451	51%	0.51	S	S	.	.	H	α-helix	trans	-62.6	-43.7	177.3	-69.4	167	0	0	0	111.1	V359 S360 L365 I366 I367	V359-I363 HydrophobicContact CG1-CD1 3.78Å; V359-I363 HydrophobicContact CG1-CG1 4.47Å; V359-I363 WeakPolarHBondContact O-CB 3.35Å; V359-I363 VanDerWaalsContact O-CG1 3.23Å; V359-I363 WeakPolarHBondContact O-CG1 3.39Å; V359-I363 PolarHBondContact O-N 3.32Å; S360-I363 PolarHBondContact O-N 2.95Å; I363-L365 VanDerWaalsContact C-N 3.32Å; I363-L365 PolarHBondContact O-N 2.9Å; I363-I366 PolarHBondContact O-N 2.87Å; I363-I367 HydrophobicContact CG2-CD1 3.82Å; I363-I367 HydrophobicContact CG2-CG1 4.46Å; I363-I367 VanDerWaalsContact O-CG1 3.3Å; I363-I367 WeakPolarHBondContact O-CG1 3.26Å; I363-I367 PolarHBondContact O-N 3.02Å
364	I	89.8	Confident	83.9	Confident	89 Å²	89	94.3 Å²	94.3	46%	0.456	49%	0.49	S	S	.	.	H	α-helix	trans	-61.3	-41.9	176.6	-70.2	163.7	0	0	0	110.7	S360 A361 I366 I367 L368	S360-I364 WeakPolarHBondContact O-CB 3.32Å; S360-I364 WeakPolarHBondContact O-CD1 3.4Å; S360-I364 VanDerWaalsContact O-CG1 3.22Å; S360-I364 WeakPolarHBondContact O-CG1 3.33Å; S360-I364 PolarHBondContact O-N 2.68Å; A361-I364 PolarHBondContact O-N 2.98Å; I364-I366 PolarHBondContact O-N 3.19Å; I364-I367 PolarHBondContact O-N 3.16Å; I364-L368 HydrophobicContact CG2-CD1 3.99Å; I364-L368 HydrophobicContact CG2-CG 4.4Å; I364-L368 WeakPolarHBondContact O-CB 3.39Å; I364-L368 WeakPolarHBondContact O-CG 3.35Å; I364-L368 PolarHBondContact O-N 3.47Å
365	L	90.6	Very high	85	Confident	121 Å²	121	93.6 Å²	93.6	63%	0.634	49%	0.488	S	S	*	.	H	α-helix	trans	-64.3	-40.7	178.4	-163.9	150.3	0	0	0	111.4	A361 I362 I363 L368 F369	A361-L365 WeakPolarHBondContact O-CB 3.42Å; A361-L365 PolarHBondContact O-N 2.95Å; I362-L365 PolarHBondContact O-N 3.45Å; I363-L365 VanDerWaalsContact C-N 3.32Å; I363-L365 PolarHBondContact O-N 2.9Å; L365-L368 PolarHBondContact O-N 3.33Å; L365-F369 WeakPolarHBondContact O-CB 3.47Å; L365-F369 PolarHBondContact O-N 3.23Å
366	I	89	Confident	86	Confident	91 Å²	91	92.9 Å²	92.9	47%	0.467	49%	0.49	S	S	.	.	H	α-helix	trans	-62.9	-43.9	173.4	-67.6	166.6	0	0	0	111	I362 I363 I364 F369 I370	I362-I366 HydrophobicContact CG2-CD1 4.01Å; I362-I366 WeakPolarHBondContact O-CG1 3.45Å; I362-I366 PolarHBondContact O-N 3.39Å; I363-I366 PolarHBondContact O-N 2.87Å; I364-I366 PolarHBondContact O-N 3.19Å; I366-F369 WeakPolarHBondContact O-CB 3.35Å; I366-F369 PolarHBondContact O-N 3.32Å; I366-I370 HydrophobicContact CG2-CD1 4.02Å; I366-I370 WeakPolarHBondContact O-CG1 3.47Å; I366-I370 PolarHBondContact O-N 2.91Å
367	I	89.7	Confident	86.4	Confident	85 Å²	85	93.1 Å²	93.1	44%	0.436	49%	0.491	S	S	.	.	H	α-helix	trans	-63.1	-44.9	177.9	-68.5	167.1	0	0	0	111	I363 I364 F369 I370 I371	I363-I367 HydrophobicContact CG2-CD1 3.82Å; I363-I367 HydrophobicContact CG2-CG1 4.46Å; I363-I367 VanDerWaalsContact O-CG1 3.3Å; I363-I367 WeakPolarHBondContact O-CG1 3.26Å; I363-I367 PolarHBondContact O-N 3.02Å; I364-I367 PolarHBondContact O-N 3.16Å; I367-F369 VanDerWaalsContact C-N 3.3Å; I367-F369 PolarHBondContact O-N 3.33Å; I367-I370 PolarHBondContact O-N 2.95Å; I367-I371 HydrophobicContact CG2-CD1 3.85Å; I367-I371 HydrophobicContact CG2-CG1 4.47Å; I367-I371 WeakPolarHBondContact O-CG1 3.42Å; I367-I371 PolarHBondContact O-N 3.29Å
368	L	90.4	Very high	86.8	Confident	100 Å²	100	87.8 Å²	87.8	52%	0.524	48%	0.48	S	S	.	.	H	α-helix	trans	-61.4	-39.1	175.7	-74.7	171.1	0	0	0	111.8	I364 L365 I371 T372	I364-L368 HydrophobicContact CG2-CD1 3.99Å; I364-L368 HydrophobicContact CG2-CG 4.4Å; I364-L368 WeakPolarHBondContact O-CB 3.39Å; I364-L368 WeakPolarHBondContact O-CG 3.35Å; I364-L368 PolarHBondContact O-N 3.47Å; L365-L368 PolarHBondContact O-N 3.33Å; L368-I371 PolarHBondContact O-N 3.42Å; L368-T372 WeakPolarHBondContact O-CB 3.37Å; L368-T372 WeakPolarHBondContact O-CG2 3.41Å; L368-T372 PolarHBondContact O-N 3.27Å; L368-T372 PolarHBondContact O-OG1 2.98Å
369	F	91.6	Very high	87	Confident	115 Å²	115	87.7 Å²	87.7	50%	0.504	48%	0.479	S	S	.	.	H	α-helix	trans	-62.6	-42.5	174.6	-172.8	-99.8	0	0	0	111.8	L365 I366 I367 T372 L373	L365-F369 WeakPolarHBondContact O-CB 3.47Å; L365-F369 PolarHBondContact O-N 3.23Å; I366-F369 WeakPolarHBondContact O-CB 3.35Å; I366-F369 PolarHBondContact O-N 3.32Å; I367-F369 VanDerWaalsContact C-N 3.3Å; I367-F369 PolarHBondContact O-N 3.33Å; F369-T372 WeakPolarHBondContact CA-OG1 3.33Å; F369-T372 PolarHBondContact O-N 2.94Å; F369-T372 PolarHBondContact O-OG1 3.5Å; F369-L373 HydrophobicContact CE1-CD1 4.3Å; F369-L373 HydrophobicContact CZ-CD1 4.3Å; F369-L373 VanDerWaalsContact O-CB 3.32Å; F369-L373 WeakPolarHBondContact O-CB 3.33Å; F369-L373 PolarHBondContact O-N 3.28Å
370	I	90.6	Very high	87	Confident	107 Å²	107	88.9 Å²	88.9	55%	0.549	48%	0.483	S	S	.	.	H	α-helix	trans	-65.3	-42.1	176.7	-66.1	166.6	0	0	0	111.3	I366 I367 L373 G374	I366-I370 HydrophobicContact CG2-CD1 4.02Å; I366-I370 WeakPolarHBondContact O-CG1 3.47Å; I366-I370 PolarHBondContact O-N 2.91Å; I367-I370 PolarHBondContact O-N 2.95Å; I370-L373 PolarHBondContact O-N 3.44Å; I370-G374 PolarHBondContact O-N 3.3Å
371	I	89.8	Confident	87	Confident	91 Å²	91	95 Å²	95	47%	0.467	50%	0.5	S	S	.	.	H	α-helix	trans	-64.3	-47	178.2	-67.9	168.5	0	0	0	110.8	I367 L368 L373 G374 I375	I367-I371 HydrophobicContact CG2-CD1 3.85Å; I367-I371 HydrophobicContact CG2-CG1 4.47Å; I367-I371 WeakPolarHBondContact O-CG1 3.42Å; I367-I371 PolarHBondContact O-N 3.29Å; L368-I371 PolarHBondContact O-N 3.42Å; I371-L373 VanDerWaalsContact C-N 3.32Å; I371-L373 PolarHBondContact O-N 2.91Å; I371-G374 PolarHBondContact O-N 2.88Å; I371-G374 VanDerWaalsContact O-N 3.16Å; I371-I375 HydrophobicContact CG2-CD1 3.88Å; I371-I375 HydrophobicContact CG2-CG1 4.48Å; I371-I375 WeakPolarHBondContact O-CG1 3.5Å; I371-I375 PolarHBondContact O-N 2.91Å
372	T	88	Confident	86.6	Confident	71 Å²	71	97.2 Å²	97.2	44%	0.436	50%	0.501	S	S	.	.	H	α-helix	trans	-62.9	-39.8	178.3	49.9	0	0	0	0	111.7	L368 F369 I375 L376	L368-T372 WeakPolarHBondContact O-CB 3.37Å; L368-T372 WeakPolarHBondContact O-CG2 3.41Å; L368-T372 PolarHBondContact O-N 3.27Å; L368-T372 PolarHBondContact O-OG1 2.98Å; F369-T372 WeakPolarHBondContact CA-OG1 3.33Å; F369-T372 PolarHBondContact O-N 2.94Å; F369-T372 PolarHBondContact O-OG1 3.5Å; T372-I375 PolarHBondContact O-N 3.25Å; T372-L376 WeakPolarHBondContact O-CB 3.33Å; T372-L376 PolarHBondContact O-N 2.93Å
373	L	89.5	Confident	86	Confident	83 Å²	83	100.8 Å²	100.8	44%	0.435	51%	0.508	S	S	.	.	H	α-helix	trans	-61.9	-43.3	172.7	-156.4	97.7	0	0	0	111.5	F369 I370 I371 L376 I377	F369-L373 HydrophobicContact CE1-CD1 4.3Å; F369-L373 HydrophobicContact CZ-CD1 4.3Å; F369-L373 VanDerWaalsContact O-CB 3.32Å; F369-L373 WeakPolarHBondContact O-CB 3.33Å; F369-L373 PolarHBondContact O-N 3.28Å; I370-L373 PolarHBondContact O-N 3.44Å; I371-L373 VanDerWaalsContact C-N 3.32Å; I371-L373 PolarHBondContact O-N 2.91Å; L373-L376 PolarHBondContact O-N 2.89Å; L373-I377 HydrophobicContact CD2-CD1 4.14Å; L373-I377 HydrophobicContact CG-CD1 4.37Å; L373-I377 VanDerWaalsContact O-CG1 3.25Å; L373-I377 WeakPolarHBondContact O-CG1 3.38Å; L373-I377 PolarHBondContact O-N 2.9Å
374	G	87.1	Confident	85	Confident	33 Å²	33	103.2 Å²	103.2	34%	0.34	52%	0.515	S	S	.	.	H	α-helix	trans	-60.6	-45.1	176.2	0	0	0	0	0	112.8	I370 I371 I377 V378	I370-G374 PolarHBondContact O-N 3.3Å; I371-G374 PolarHBondContact O-N 2.88Å; I371-G374 VanDerWaalsContact O-N 3.16Å; G374-I377 PolarHBondContact O-N 2.88Å; G374-V378 WeakPolarHBondContact O-CG2 3.34Å; G374-V378 PolarHBondContact O-N 3.49Å
375	I	87.5	Confident	83.9	Confident	93 Å²	93	101.2 Å²	101.2	48%	0.477	51%	0.509	S	S	.	.	H	α-helix	trans	-63.4	-44.7	176.1	-66	166.5	0	0	0	110.7	I371 T372 I377 V378 I379	I371-I375 HydrophobicContact CG2-CD1 3.88Å; I371-I375 HydrophobicContact CG2-CG1 4.48Å; I371-I375 WeakPolarHBondContact O-CG1 3.5Å; I371-I375 PolarHBondContact O-N 2.91Å; T372-I375 PolarHBondContact O-N 3.25Å; I375-I377 VanDerWaalsContact C-N 3.31Å; I375-I377 PolarHBondContact O-N 3.25Å; I375-V378 PolarHBondContact O-N 3.39Å; I375-I379 HydrophobicContact CG2-CD1 3.7Å; I375-I379 HydrophobicContact CG2-CG1 4.26Å; I375-I379 WeakPolarHBondContact O-CG1 3.23Å; I375-I379 PolarHBondContact O-N 2.95Å
376	L	85	Confident	82.3	Confident	113 Å²	113	102.2 Å²	102.2	59%	0.592	51%	0.508	S	S	*	.	H	α-helix	trans	-58.8	-41.7	176.4	-87	159.7	0	0	0	112	T372 L373 I379 N380	T372-L376 WeakPolarHBondContact O-CB 3.33Å; T372-L376 PolarHBondContact O-N 2.93Å; L373-L376 PolarHBondContact O-N 2.89Å; L376-I379 PolarHBondContact O-N 3.19Å; L376-N380 VanDerWaalsContact O-CB 3.26Å; L376-N380 WeakPolarHBondContact O-CB 3.3Å; L376-N380 PolarHBondContact O-N 3.16Å
377	I	84.4	Confident	80.6	Confident	102 Å²	102	103.6 Å²	103.6	52%	0.523	51%	0.513	S	S	.	.	H	α-helix	trans	-63.8	-44.4	176.2	-68.4	163.5	0	0	0	110.7	L373 G374 I375 N380 Y381	L373-I377 HydrophobicContact CD2-CD1 4.14Å; L373-I377 HydrophobicContact CG-CD1 4.37Å; L373-I377 VanDerWaalsContact O-CG1 3.25Å; L373-I377 WeakPolarHBondContact O-CG1 3.38Å; L373-I377 PolarHBondContact O-N 2.9Å; G374-I377 PolarHBondContact O-N 2.88Å; I375-I377 VanDerWaalsContact C-N 3.31Å; I375-I377 PolarHBondContact O-N 3.25Å; I377-N380 PolarHBondContact O-N 3.27Å; I377-Y381 VanDerWaalsContact O-CB 3.31Å; I377-Y381 WeakPolarHBondContact O-CB 3.45Å; I377-Y381 PolarHBondContact O-N 3.48Å
378	V	82.6	Confident	78.7	Confident	81 Å²	81	109 Å²	109	49%	0.491	53%	0.528	S	S	.	.	H	α-helix	trans	-63.8	-44.7	177.7	173.5	0	0	0	0	111.3	G374 I375 N380 Y381 Q382	G374-V378 WeakPolarHBondContact O-CG2 3.34Å; G374-V378 PolarHBondContact O-N 3.49Å; I375-V378 PolarHBondContact O-N 3.39Å; V378-N380 VanDerWaalsContact C-N 3.34Å; V378-N380 PolarHBondContact O-N 2.99Å; V378-Y381 PolarHBondContact O-N 3.38Å; V378-Q382 WeakPolarHBondContact O-CG 3.49Å; V378-Q382 PolarHBondContact O-N 2.99Å
379	I	80.9	Confident	76.7	Confident	99 Å²	99	111.3 Å²	111.3	51%	0.508	54%	0.54	S	S	.	.	H	α-helix	trans	-61	-45.5	176.7	-69.2	171	0	0	0	110.3	I375 L376 Y381 Q382 R383	I375-I379 HydrophobicContact CG2-CD1 3.7Å; I375-I379 HydrophobicContact CG2-CG1 4.26Å; I375-I379 WeakPolarHBondContact O-CG1 3.23Å; I375-I379 PolarHBondContact O-N 2.95Å; L376-I379 PolarHBondContact O-N 3.19Å; I379-Y381 VanDerWaalsContact C-N 3.34Å; I379-Y381 PolarHBondContact O-N 2.91Å; I379-Q382 PolarHBondContact O-N 3.32Å; I379-R383 WeakPolarHBondContact O-CB 3.36Å; I379-R383 PolarHBondContact O-N 2.96Å
380	N	80.2	Confident	74.4	Confident	107 Å²	107	114.8 Å²	114.8	57%	0.572	56%	0.555	S	S	*	*	H	α-helix	trans	-67.2	-37.3	-179.9	-157.1	-4.5	0	0	0	111.4	L376 I377 V378 R383 K384	L376-N380 VanDerWaalsContact O-CB 3.26Å; L376-N380 WeakPolarHBondContact O-CB 3.3Å; L376-N380 PolarHBondContact O-N 3.16Å; I377-N380 PolarHBondContact O-N 3.27Å; V378-N380 VanDerWaalsContact C-N 3.34Å; V378-N380 PolarHBondContact O-N 2.99Å; N380-R383 PolarHBondContact O-N 3.26Å; N380-K384 WeakPolarHBondContact O-CB 3.49Å; N380-K384 PolarHBondContact O-N 2.88Å
381	Y	79.1	Confident	72	Confident	173 Å²	173	114.8 Å²	114.8	68%	0.678	56%	0.564	S	S	*	*	H	α-helix	trans	-63.9	-44.7	172.9	-173	-99.2	0	0	0	112.1	I377 V378 I379 R383 K384 S385	I377-Y381 VanDerWaalsContact O-CB 3.31Å; I377-Y381 WeakPolarHBondContact O-CB 3.45Å; I377-Y381 PolarHBondContact O-N 3.48Å; V378-Y381 PolarHBondContact O-N 3.38Å; I379-Y381 VanDerWaalsContact C-N 3.34Å; I379-Y381 PolarHBondContact O-N 2.91Å; Y381-R383 VanDerWaalsContact C-N 3.32Å; Y381-R383 PolarHBondContact O-N 3.45Å; Y381-K384 PolarHBondContact O-N 3.02Å; Y381-S385 WeakPolarHBondContact O-CB 3.22Å; Y381-S385 PolarHBondContact O-N 3.05Å
382	Q	77.2	Confident	69.3	Low	104 Å²	104	121.9 Å²	121.9	49%	0.486	59%	0.585	S	S	.	*	H	α-helix	trans	-63.6	-37.7	174.4	-74.2	-163.6	12	0	0	112.3	V378 I379 S385 K386	V378-Q382 WeakPolarHBondContact O-CG 3.49Å; V378-Q382 PolarHBondContact O-N 2.99Å; I379-Q382 PolarHBondContact O-N 3.32Å; Q382-S385 PolarHBondContact O-N 2.96Å; Q382-S385 PolarHBondContact O-OG 3.39Å; Q382-K386 WeakPolarHBondContact O-CB 3.47Å; Q382-K386 WeakPolarHBondContact O-CG 3.19Å; Q382-K386 PolarHBondContact O-N 3.33Å
383	R	74.3	Confident	66.6	Low	170 Å²	170	122.8 Å²	122.8	64%	0.642	59%	0.594	S	S	*	*	H	α-helix	trans	-62.9	-46.9	175.6	-151.6	174.1	-171.4	174.2	3.2	109.8	I379 N380 Y381 S385 K386 H387	I379-R383 WeakPolarHBondContact O-CB 3.36Å; I379-R383 PolarHBondContact O-N 2.96Å; N380-R383 PolarHBondContact O-N 3.26Å; Y381-R383 VanDerWaalsContact C-N 3.32Å; Y381-R383 PolarHBondContact O-N 3.45Å; R383-S385 PolarHBondContact O-N 3.26Å; R383-K386 PolarHBondContact O-N 3.44Å; R383-H387 PolarHBondContact O-CD2 3.09Å; R383-H387 PolarHBondContact O-N 2.91Å
384	K	68.5	Low	63.8	Low	139 Å²	139	126 Å²	126	60%	0.604	61%	0.612	S	S	*	*	H	α-helix	trans	-65.8	-34.7	177.7	-159.6	171.2	-175.6	175.2	0	112.9	N380 Y381 H387 R388	N380-K384 WeakPolarHBondContact O-CB 3.49Å; N380-K384 PolarHBondContact O-N 2.88Å; Y381-K384 PolarHBondContact O-N 3.02Å; K384-H387 PolarHBondContact O-N 2.99Å; K384-R388 PolarHBondContact O-N 3.42Å; K384-R388 VanDerWaalsContact O-N 3.11Å
385	S	65.1	Low	61.2	Low	48 Å²	48	134 Å²	134	34%	0.336	64%	0.637	S	S	.	*	H	α-helix	trans	-71.5	-39.6	175.5	77.3	0	0	0	0	112.3	Y381 Q382 R383 H387 R388 L389	Y381-S385 WeakPolarHBondContact O-CB 3.22Å; Y381-S385 PolarHBondContact O-N 3.05Å; Q382-S385 PolarHBondContact O-N 2.96Å; Q382-S385 PolarHBondContact O-OG 3.39Å; R383-S385 PolarHBondContact O-N 3.26Å; S385-H387 VanDerWaalsContact C-N 3.3Å; S385-H387 PolarHBondContact O-N 2.97Å; S385-R388 PolarHBondContact O-N 3.02Å; S385-R388 VanDerWaalsContact O-N 3.09Å; S385-L389 PolarHBondContact O-N 3.47Å
386	K	57.1	Low	58.2	Low	141 Å²	141	134.4 Å²	134.4	61%	0.613	65%	0.649	S	S	*	*	H	α-helix	trans	-61.7	-37.2	172.5	-75.5	179.2	-179.1	-179.7	0	111.9	Q382 R383 L389 K390	Q382-K386 WeakPolarHBondContact O-CB 3.47Å; Q382-K386 WeakPolarHBondContact O-CG 3.19Å; Q382-K386 PolarHBondContact O-N 3.33Å; R383-K386 PolarHBondContact O-N 3.44Å; K386-L389 PolarHBondContact O-N 2.92Å; K386-K390 PolarHBondContact O-N 2.95Å
387	H	54.2	Low	55.6	Low	121 Å²	121	136.4 Å²	136.4	56%	0.56	66%	0.657	S	S	*	*	H	α-helix	trans	-70.9	-27.9	173.9	-72.1	-64.1	0	0	0	113.2	R383 K384 S385 S391	R383-H387 PolarHBondContact O-CD2 3.09Å; R383-H387 PolarHBondContact O-N 2.91Å; K384-H387 PolarHBondContact O-N 2.99Å; S385-H387 VanDerWaalsContact C-N 3.3Å; S385-H387 PolarHBondContact O-N 2.97Å; H387-S391 PolarHBondContact O-N 3.32Å
388	R	50.1	Low	52.9	Low	197 Å²	197	138.2 Å²	138.2	74%	0.743	66%	0.663	S	S	*	*	H	α-helix	trans	-73.5	-27.5	174	-79	-171.2	171.2	-168.4	-2.5	114	K384 S385	K384-R388 PolarHBondContact O-N 3.42Å; K384-R388 VanDerWaalsContact O-N 3.11Å; S385-R388 PolarHBondContact O-N 3.02Å; S385-R388 VanDerWaalsContact O-N 3.09Å
389	L	47.4	Very low	50.3	Low	150 Å²	150	139.5 Å²	139.5	79%	0.785	67%	0.667	S	S	*	*	H	α-helix	trans	-78.3	-22	175.9	-77.5	160	0	0	0	113.4	S385 K386	S385-L389 PolarHBondContact O-N 3.47Å; K386-L389 PolarHBondContact O-N 2.92Å
390	K	42.6	Very low	47.9	Very low	187 Å²	187	141.9 Å²	141.9	81%	0.813	68%	0.676	S	S	*	*	H	α-helix	trans	-92.5	-13.9	178.6	-100.2	-178.7	174.8	-177.4	0	115.5	K386	K386-K390 PolarHBondContact O-N 2.95Å
391	S	41.3	Very low	45.4	Very low	107 Å²	107	142.7 Å²	142.7	75%	0.748	68%	0.68	S	S	*	*	S	Bend	trans	-97.4	17.1	-179.3	-77.5	0	0	0	0	115	H387 S393	H387-S391 PolarHBondContact O-N 3.32Å; S391-S393 VanDerWaalsContact C-N 3.35Å; S391-S393 PolarHBondContact O-N 3.19Å
392	R	33.3	Very low	43	Very low	241 Å²	241	141.7 Å²	141.7	91%	0.909	69%	0.686	S	S	*	*			trans	-99.1	58.4	167.8	-133.8	-179.5	-174.4	-173	0.6	110.2
393	S	31.1	Very low	40.8	Very low	89 Å²	89	140.7 Å²	140.7	62%	0.622	70%	0.703	S	S	*	*	S	Bend	trans	-157.6	107.2	168.8	177.7	0	0	0	0	109.5	S391	S391-S393 VanDerWaalsContact C-N 3.35Å; S391-S393 PolarHBondContact O-N 3.19Å
394	N	31	Very low	38.5	Very low	150 Å²	150	138.1 Å²	138.1	80%	0.802	71%	0.707	S	S	*	*			trans	75.4	129.6	157.3	-65	-18.7	0	0	0	122
395	K	31.7	Very low	36.6	Very low	202 Å²	202	139 Å²	139	88%	0.878	71%	0.713	S	S	*	*			trans	78	103.4	168.2	-74.9	179.3	172	178.5	0	115.6
396	S	25.9	Very low	34.8	Very low	102 Å²	102	144.6 Å²	144.6	71%	0.713	73%	0.733	S	S	*	*			cis	56.2	125.3	46.4	-173.2	0	0	0	0	113.4
397	M	29.9	Very low	33.3	Very low	155 Å²	155	147.3 Å²	147.3	76%	0.764	75%	0.745	S	S	*	*			trans	78.1	133	177.1	-62.7	-96.6	97.1	0	0	114.7
398	H	28	Very low	32.3	Very low	139 Å²	139	147.1 Å²	147.1	64%	0.644	76%	0.758	S	S	*	*			cis	-170.1	153.8	-4.6	-163	30.3	0	0	0	106.9
399	N	27.5	Very low	31.1	Very low	108 Å²	108	145.5 Å²	145.5	58%	0.578	76%	0.764	S	S	*	*			trans	-16.1	141	163.8	-60.5	-20.4	0	0	0	118.6
400	H	30.8	Very low	30.1	Very low	150 Å²	150	142 Å²	142	69%	0.694	76%	0.763	S	S	*	*				170.6	135.1	88.9	-103.8	-56.5	0	0	0	113.1
401	N	27.7	Very low	29.5	Very low	123 Å²	123	144.5 Å²	144.5	66%	0.658	77%	0.768	S	S	*	*			trans	65.3	117.2	135.3	-67	0.8	0	0	0	123.2
402	N	27.9	Very low	28.7	Very low	153 Å²	153	146 Å²	146	82%	0.818	77%	0.773	S	S	*	*				48	115.8	119.8	-69.5	-4.6	0	0	0	120
403	G	32.4	Very low	28.8	Very low	82 Å²	82	140.8 Å²	140.8	85%	0.845	77%	0.768	S	S	*	*			trans	-154.5	60.5	160.1	0	0	0	0	0	111.3
404	T	25.9	Very low	28.7	Very low	117 Å²	117	144.7 Å²	144.7	72%	0.718	78%	0.776	S	S	*	*			trans	-68.5	131	151.1	28.7	0	0	0	0	108.1
405	H	27.2	Very low	28.5	Very low	158 Å²	158	146.8 Å²	146.8	73%	0.731	78%	0.78	S	S	*	*			trans	174.9	141.7	130.8	-102.3	-76.2	0	0	0	114.3
406	H	28.9	Very low	28.6	Very low	165 Å²	165	143.4 Å²	143.4	76%	0.764	77%	0.772	S	S	*	*			trans	92.6	93.8	154.8	-65.8	-58.4	0	0	0	122.3
407	K	25.2	Very low	29.2	Very low	198 Å²	198	142 Å²	142	86%	0.861	76%	0.762	S	S	*	*				-28.2	137.2	125.4	-90.4	174.9	167.7	175.9	0	114.2
408	S	31.7	Very low	29.2	Very low	117 Å²	117	139.6 Å²	139.6	82%	0.818	75%	0.752	S	S	*	*			trans	-153.1	124.6	130.1	63.7	0	0	0	0	111.1
409	N	26.8	Very low	29.6	Very low	163 Å²	163	136.8 Å²	136.8	87%	0.872	74%	0.741	S	S	*	*			trans	-62.6	150	168.6	-74.8	-21.9	0	0	0	111.7
410	G	26.1	Very low	29.7	Very low	75 Å²	75	137.3 Å²	137.3	77%	0.773	74%	0.742	S	S	*	*			trans	167.7	88.1	158.3	0	0	0	0	0	113.9
411	R	28.7	Very low	30.2	Very low	241 Å²	241	132.6 Å²	132.6	91%	0.909	72%	0.724	S	S	*	*				-176.6	124.4	116.8	-122.8	170.8	168.6	149.5	-5.3	111.6
412	T	25.8	Very low	30.9	Very low	139 Å²	139	136.5 Å²	136.5	85%	0.853	74%	0.739	S	S	*	*			trans	-58	118.9	165.9	44.9	0	0	0	0	111.3
413	T	35	Very low	31.5	Very low	131 Å²	131	135.3 Å²	135.3	80%	0.804	73%	0.732	S	S	*	*			trans	-100.6	117	161	41.7	0	0	0	0	108.5
414	Q	28.3	Very low	31.5	Very low	170 Å²	170	134.1 Å²	134.1	79%	0.794	72%	0.719	S	S	*	*			trans	2.2	118.3	168.5	-74.7	166.2	-70.7	0	0	118.6
415	H	27.9	Very low	32	Very low	194 Å²	194	133.6 Å²	133.6	90%	0.898	71%	0.712	S	S	*	*			trans	-89.5	84.6	158.9	-79.4	-82.1	0	0	0	109.1
416	D	33	Very low	32.3	Very low	131 Å²	131	134 Å²	134	70%	0.701	71%	0.707	S	S	*	*			trans	-131.3	71.2	172.1	-76.3	-36.9	0	0	0	110.4
417	S	37.9	Very low	33	Very low	73 Å²	73	127.8 Å²	127.8	51%	0.51	68%	0.68	S	S	.	*	S	Bend	trans	-158.4	10.3	162.1	63.3	0	0	0	0	115.4
418	L	29.8	Very low	33.8	Very low	104 Å²	104	124.2 Å²	124.2	55%	0.545	67%	0.666	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.7	99.6	-176.3	-143.4	87.4	0	0	0	110.9	I420	L418-I420 HydrophobicContact CD2-CD1 4.41Å; L418-I420 HydrophobicContact CD2-CG1 4.34Å
419	I	38	Very low	34.7	Very low	80 Å²	80	120 Å²	120	41%	0.41	63%	0.634	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.7	114.9	165.6	-57.9	175.6	0	0	0	107.3	Y218	Y218-I419 HydrophobicContact CD1-CD1 3.88Å; Y218-I419 HydrophobicContact CE1-CD1 4.24Å; Y218-I419 HydrophobicContact CG-CD1 4.33Å
420	I	29.4	Very low	36	Very low	120 Å²	120	115 Å²	115	62%	0.615	61%	0.61	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88	118.8	173.3	-56.5	172.8	0	0	0	106.2	L418	L418-I420 HydrophobicContact CD2-CD1 4.41Å; L418-I420 HydrophobicContact CD2-CG1 4.34Å
421	T	39.9	Very low	37	Very low	50 Å²	50	117.5 Å²	117.5	31%	0.307	61%	0.606	S	S	.	*			trans	-75.3	159.1	170.9	53.5	0	0	0	0	110.9	D423 G424 N425 I427	T421-D423 PolarHBondContact O-N 3.45Å; T421-G424 PolarHBondContact O-N 2.84Å; T421-N425 PolarHBondContact OG1-O 2.85Å; T421-N425 VanDerWaalsContact OG1-O 3.04Å; T421-I427 HydrophobicContact CG2-CD1 3.43Å; T421-I427 VanDerWaalsContact CG2-CD1 3.43Å; T421-I427 HydrophobicContact CG2-CG1 4.13Å
422	E	42.3	Very low	37.9	Very low	206 Å²	206	111.2 Å²	111.2	96%	0.963	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.3	-24.9	179.1	-99.6	178.6	151.3	0	0	113.6	G424	E422-G424 VanDerWaalsContact C-N 3.27Å; E422-G424 PolarHBondContact O-N 3.42Å
423	D	40.5	Very low	39.3	Very low	128 Å²	128	107.7 Å²	107.7	68%	0.684	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	11.7	177.1	-61.2	-36.1	0	0	0	113.9	T421 N425	T421-D423 PolarHBondContact O-N 3.45Å; D423-N425 PolarHBondContact O-N 3.34Å
424	G	32.7	Very low	40.3	Very low	56 Å²	56	105.2 Å²	105.2	58%	0.577	56%	0.555	S	S	*	*			trans	70.2	0.6	176.2	0	0	0	0	0	115.1	T421 E422 R426	T421-G424 PolarHBondContact O-N 2.84Å; E422-G424 VanDerWaalsContact C-N 3.27Å; E422-G424 PolarHBondContact O-N 3.42Å; G424-R426 PolarHBondContact O-N 3.37Å
425	N	36.7	Very low	41.8	Very low	107 Å²	107	97.7 Å²	97.7	57%	0.572	52%	0.522	S	S	*	.			trans	-80	117.8	176.9	-78.7	-21.4	0	0	0	110.6	T421 D423 I427	T421-N425 PolarHBondContact OG1-O 2.85Å; T421-N425 VanDerWaalsContact OG1-O 3.04Å; D423-N425 PolarHBondContact O-N 3.34Å; N425-I427 PolarHBondContact O-N 3.21Å
426	R	33.3	Very low	43.2	Very low	166 Å²	166	98.2 Å²	98.2	63%	0.626	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	111	176.3	-174	177.1	172	175.5	-6.5	109.4	G424 E428	G424-R426 PolarHBondContact O-N 3.37Å; R426-E428 HydrophobicContact CG-CG 4.31Å; R426-E428 IonicContact CZ-OE1 3.25Å; R426-E428 VanDerWaalsContact CZ-OE1 3.25Å; R426-E428 IonicContact NE-OE1 3.19Å; R426-E428 PolarHBondContact NE-OE1 2.91Å; R426-E428 IonicContact NH2-OE1 2.94Å; R426-E428 PolarHBondContact NH2-OE1 3.26Å
427	I	43.1	Very low	43.7	Very low	35 Å²	35	96.6 Å²	96.6	18%	0.179	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	99.8	172.6	-54.1	178.4	0	0	0	108.2	L219 T421 N425 L429	L219-I427 HydrophobicContact CD2-CB 4.24Å; L219-I427 HydrophobicContact CD2-CD1 3.81Å; L219-I427 HydrophobicContact CD2-CG2 3.26Å; T421-I427 HydrophobicContact CG2-CD1 3.43Å; T421-I427 VanDerWaalsContact CG2-CD1 3.43Å; T421-I427 HydrophobicContact CG2-CG1 4.13Å; N425-I427 PolarHBondContact O-N 3.21Å; I427-L429 HydrophobicContact CG2-CD1 4.46Å; I427-L429 PolarHBondContact O-N 3.01Å
428	E	43.1	Very low	44	Very low	123 Å²	123	97.8 Å²	97.8	58%	0.575	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71	109.7	167.7	-64.9	-172.9	161.1	0	0	107.8	R426	R426-E428 HydrophobicContact CG-CG 4.31Å; R426-E428 IonicContact CZ-OE1 3.25Å; R426-E428 VanDerWaalsContact CZ-OE1 3.25Å; R426-E428 IonicContact NE-OE1 3.19Å; R426-E428 PolarHBondContact NE-OE1 2.91Å; R426-E428 IonicContact NH2-OE1 2.94Å; R426-E428 PolarHBondContact NH2-OE1 3.26Å
429	L	50.1	Low	44.8	Very low	27 Å²	27	97.5 Å²	97.5	14%	0.141	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-66.4	140.7	160.5	-86	76.9	0	0	0	107.2	Y218 I427 D431	Y218-L429 HydrophobicContact CE1-CD2 4.08Å; I427-L429 HydrophobicContact CG2-CD1 4.46Å; I427-L429 PolarHBondContact O-N 3.01Å; L429-D431 PolarHBondContact O-N 2.86Å
430	P	53.7	Low	45.2	Very low	58 Å²	58	98.5 Å²	98.5	38%	0.377	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-54.6	136.2	167.6	21.9	-29.2	0	0	0	108.9	I432	P430-I432 PolarHBondContact O-N 3.22Å
431	D	48.7	Very low	46.2	Very low	128 Å²	128	97.2 Å²	97.2	68%	0.684	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-50.4	136.9	179.8	-74.1	-32.2	0	0	0	109.9	L429 V433	L429-D431 PolarHBondContact O-N 2.86Å; D431-V433 VanDerWaalsContact C-N 3.26Å; D431-V433 PolarHBondContact O-N 3.33Å
432	I	47.3	Very low	46.6	Very low	109 Å²	109	100.3 Å²	100.3	56%	0.559	52%	0.524	S	S	*	.			trans	-68	92.1	173.4	-58.2	170.4	0	0	0	106.9	R140 P430 S434	R140-I432 VanDerWaalsContact NH1-CG1 3.26Å; P430-I432 PolarHBondContact O-N 3.22Å; I432-S434 PolarHBondContact O-N 2.91Å
433	V	55.6	Low	46.9	Very low	66 Å²	66	92.8 Å²	92.8	40%	0.4	49%	0.493	S	S	.	.			trans	-73.7	89.5	160.8	-172.5	0	0	0	0	105.2	F78 Q113 D431 C435	F78-V433 HydrophobicContact CE1-CB 4.2Å; F78-V433 HydrophobicContact CE1-CG1 3.81Å; F78-V433 HydrophobicContact CZ-CB 4.02Å; F78-V433 HydrophobicContact CZ-CG1 4.16Å; Q113-V433 PolarHBondContact NE2-O 2.02Å; D431-V433 VanDerWaalsContact C-N 3.26Å; D431-V433 PolarHBondContact O-N 3.33Å; V433-C435 PolarHBondContact O-N 3.24Å
434	S	54.3	Low	47.4	Very low	78 Å²	78	90.1 Å²	90.1	55%	0.545	48%	0.478	S	S	.	.			trans	-60.6	125.8	171.3	-61.6	0	0	0	0	107.3	I432 K436	I432-S434 PolarHBondContact O-N 2.91Å; S434-K436 PolarHBondContact O-N 2.84Å
435	C	60.5	Low	48.6	Very low	13 Å²	13	92.9 Å²	92.9	9%	0.088	47%	0.47	C	S	.	.			trans	-55.4	125.3	165.4	-46.7	0	0	0	0	106.8	C80 G82 D115 V433	C80-C435 HydrophobicContact CB-CB 3.91Å; C80-C435 WeakPolarHBondContact CB-SG 3.5Å; C80-C435 VanDerWaalsContact SG-CA 3.51Å; C80-C435 WeakPolarHBondContact SG-CB 3.49Å; C80-C435 CovalentContact SG-SG 2.02Å; C80-C435 PolarHBondContact SG-SG 3.48Å; G82-C435 WeakPolarHBondContact O-CB 3.12Å; G82-C435 PolarHBondContact O-SG 3.03Å; D115-C435 PolarHBondContact OD2-SG 2.99Å; V433-C435 PolarHBondContact O-N 3.24Å
436	K	57.5	Low	49.7	Very low	205 Å²	205	91.6 Å²	91.6	89%	0.891	46%	0.461	S	S	*	.			trans	-68.5	0	-175.2	-82.5	-174.4	178.8	171.3	0	113.3	S434	S434-K436 PolarHBondContact O-N 2.84Å

Retrieved 436 of 436 residues in 771.7 ms (Link to these results)

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