A0A5K4F773_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F773, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 230 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	44.8	Very low	52.7	Low	220 Å²	220	134.5 Å²	134.5	100%	1.084	66%	0.656	S	S	*	*				0	114.6	0	-81.1	174.8	175.9	0	0	108.6	Y3	M1-Y3 PolarHBondContact O-N 3.36Å
2	R	44.5	Very low	53.8	Low	244 Å²	244	129.3 Å²	129.3	92%	0.921	64%	0.643	S	S	*	*			trans	-80.2	104.1	165.8	-76.9	-178.2	176	176.9	-1.2	106.5	I4	R2-I4 PolarHBondContact O-N 3.29Å; R2-I4 VanDerWaalsContact O-N 3.11Å
3	Y	51.9	Low	53.9	Low	198 Å²	198	124.8 Å²	124.8	78%	0.776	63%	0.627	S	S	*	*			trans	-71.3	102.3	171	-107.7	-94	0	0	0	107.6	M1 L5	M1-Y3 PolarHBondContact O-N 3.36Å; Y3-L5 PolarHBondContact O-N 3.11Å
4	I	53.4	Low	54.2	Low	151 Å²	151	120.9 Å²	120.9	77%	0.774	62%	0.616	S	S	*	*			trans	-81.1	100.3	167	-57.4	173.6	0	0	0	104.8	R2 P6	R2-I4 PolarHBondContact O-N 3.29Å; R2-I4 VanDerWaalsContact O-N 3.11Å; I4-P6 WeakPolarHBondContact O-CD 3.43Å
5	L	50.8	Low	54.9	Low	92 Å²	92	120.3 Å²	120.3	48%	0.482	61%	0.614	S	S	.	*			trans	-62	127.3	171.2	-94.7	125.9	0	0	0	108.3	Y3 F9 F10	Y3-L5 PolarHBondContact O-N 3.11Å; L5-F9 HydrophobicContact CD2-CB 3.74Å; L5-F9 HydrophobicContact CD2-CD1 4.45Å; L5-F9 HydrophobicContact CD2-CD2 4.46Å; L5-F9 HydrophobicContact CD2-CG 3.98Å; L5-F10 HydrophobicContact CB-CE2 3.92Å; L5-F10 HydrophobicContact CB-CZ 4.22Å; L5-F10 WeakPolarHBondContact O-CE2 3.43Å
6	P	52.5	Low	55.8	Low	67 Å²	67	119 Å²	119	44%	0.435	61%	0.608	S	S	.	*			trans	-57.3	142.9	175.8	-22	30.4	0	0	0	111	I4 S8 F9	I4-P6 WeakPolarHBondContact O-CD 3.43Å; P6-S8 PolarHBondContact O-N 2.87Å; P6-F9 HydrophobicContact CB-CD2 4.16Å; P6-F9 HydrophobicContact CG-CD2 4Å; P6-F9 HydrophobicContact CG-CE2 4.28Å; P6-F9 WeakPolarHBondContact O-CB 3.26Å; P6-F9 PolarHBondContact O-N 3.2Å
7	S	57.8	Low	56.4	Low	95 Å²	95	116.4 Å²	116.4	66%	0.664	60%	0.599	S	S	*	*	H	α-helix	trans	-51.6	-28.8	178.4	54.6	0	0	0	0	113.8	F9 F10 I11	S7-F9 VanDerWaalsContact C-N 3.3Å; S7-F9 PolarHBondContact O-N 3.4Å; S7-F10 PolarHBondContact O-N 3.26Å; S7-I11 PolarHBondContact O-N 3.02Å
8	S	58.3	Low	56.7	Low	72 Å²	72	114.7 Å²	114.7	50%	0.503	59%	0.59	S	S	.	*	H	α-helix	trans	-62.3	-32.1	175.4	55.6	0	0	0	0	113.6	P6 S12	P6-S8 PolarHBondContact O-N 2.87Å; S8-S12 PolarHBondContact O-N 3.13Å
9	F	53.2	Low	56.9	Low	114 Å²	114	113.9 Å²	113.9	50%	0.5	59%	0.587	S	S	.	*	H	α-helix	trans	-72.3	-35.8	176.1	-81.7	-84.9	0	0	0	112	L5 P6 S7 I11 S12 T13	L5-F9 HydrophobicContact CD2-CB 3.74Å; L5-F9 HydrophobicContact CD2-CD1 4.45Å; L5-F9 HydrophobicContact CD2-CD2 4.46Å; L5-F9 HydrophobicContact CD2-CG 3.98Å; P6-F9 HydrophobicContact CB-CD2 4.16Å; P6-F9 HydrophobicContact CG-CD2 4Å; P6-F9 HydrophobicContact CG-CE2 4.28Å; P6-F9 WeakPolarHBondContact O-CB 3.26Å; P6-F9 PolarHBondContact O-N 3.2Å; S7-F9 VanDerWaalsContact C-N 3.3Å; S7-F9 PolarHBondContact O-N 3.4Å; F9-I11 VanDerWaalsContact C-N 3.29Å; F9-I11 PolarHBondContact O-N 3.13Å; F9-S12 PolarHBondContact O-N 3.4Å; F9-T13 WeakPolarHBondContact O-CG2 3.22Å; F9-T13 PolarHBondContact O-N 2.91Å; F9-T13 PolarHBondContact O-OG1 3.06Å; F9-T13 VanDerWaalsContact O-OG1 3.13Å
10	F	52.6	Low	57.1	Low	119 Å²	119	112.2 Å²	112.2	52%	0.522	58%	0.578	S	S	.	*	H	α-helix	trans	-62.7	-37.6	176.7	-71.8	-79.8	0	0	0	112.1	L5 S7 T13 C14	L5-F10 HydrophobicContact CB-CE2 3.92Å; L5-F10 HydrophobicContact CB-CZ 4.22Å; L5-F10 WeakPolarHBondContact O-CE2 3.43Å; S7-F10 PolarHBondContact O-N 3.26Å; F10-T13 WeakPolarHBondContact CA-OG1 3.1Å; F10-T13 PolarHBondContact O-OG1 3.44Å; F10-T13 VanDerWaalsContact O-OG1 3.06Å; F10-C14 VanDerWaalsContact O-CB 3.25Å; F10-C14 WeakPolarHBondContact O-CB 3.47Å; F10-C14 PolarHBondContact O-N 2.81Å; F10-C14 PolarHBondContact O-SG 3.48Å
11	I	59.9	Low	57.1	Low	108 Å²	108	109.4 Å²	109.4	55%	0.554	57%	0.566	S	S	*	*	H	α-helix	trans	-64.7	-45.3	175.6	-60.3	169.7	0	0	0	110.1	S7 F9 C14 L15	S7-I11 PolarHBondContact O-N 3.02Å; F9-I11 VanDerWaalsContact C-N 3.29Å; F9-I11 PolarHBondContact O-N 3.13Å; I11-C14 PolarHBondContact O-N 2.77Å; I11-L15 HydrophobicContact CG2-CD1 3.94Å; I11-L15 WeakPolarHBondContact O-CB 3.45Å; I11-L15 WeakPolarHBondContact O-CG 3.49Å; I11-L15 PolarHBondContact O-N 2.79Å
12	S	66.3	Low	57.7	Low	72 Å²	72	105.9 Å²	105.9	50%	0.503	55%	0.545	S	S	.	.	H	α-helix	trans	-63.2	-44.8	178.6	-178.7	0	0	0	0	112.4	S8 F9 L15 L16	S8-S12 PolarHBondContact O-N 3.13Å; F9-S12 PolarHBondContact O-N 3.4Å; S12-L15 PolarHBondContact O-N 2.73Å; S12-L16 PolarHBondContact O-N 2.86Å
13	T	54.7	Low	58.1	Low	71 Å²	71	99.7 Å²	99.7	44%	0.436	53%	0.525	S	S	.	.	H	α-helix	trans	-67.3	-39.3	177.1	54.5	0	0	0	0	111.8	F9 F10 L16 V17	F9-T13 WeakPolarHBondContact O-CG2 3.22Å; F9-T13 PolarHBondContact O-N 2.91Å; F9-T13 PolarHBondContact O-OG1 3.06Å; F9-T13 VanDerWaalsContact O-OG1 3.13Å; F10-T13 WeakPolarHBondContact CA-OG1 3.1Å; F10-T13 PolarHBondContact O-OG1 3.44Å; F10-T13 VanDerWaalsContact O-OG1 3.06Å; T13-L16 PolarHBondContact O-N 3.35Å; T13-V17 WeakPolarHBondContact O-CB 3.42Å; T13-V17 VanDerWaalsContact O-CG2 3.26Å; T13-V17 WeakPolarHBondContact O-CG2 3.43Å; T13-V17 PolarHBondContact O-N 2.97Å
14	C	58.7	Low	58.1	Low	70 Å²	70	96.5 Å²	96.5	47%	0.473	52%	0.515	S	S	.	.	H	α-helix	trans	-63.6	-43.4	174.7	-77.5	0	0	0	0	111.7	F10 I11 L16 V17 I18	F10-C14 VanDerWaalsContact O-CB 3.25Å; F10-C14 WeakPolarHBondContact O-CB 3.47Å; F10-C14 PolarHBondContact O-N 2.81Å; F10-C14 PolarHBondContact O-SG 3.48Å; I11-C14 PolarHBondContact O-N 2.77Å; C14-L16 VanDerWaalsContact C-N 3.32Å; C14-L16 PolarHBondContact O-N 3.32Å; C14-V17 PolarHBondContact O-N 3.38Å; C14-I18 WeakPolarHBondContact O-CB 3.31Å; C14-I18 WeakPolarHBondContact O-CD1 3.33Å; C14-I18 WeakPolarHBondContact O-CG1 3.25Å; C14-I18 PolarHBondContact O-N 3.32Å
15	L	63.8	Low	58.1	Low	111 Å²	111	93.3 Å²	93.3	58%	0.581	50%	0.5	S	S	*	.	H	α-helix	trans	-59.9	-43.7	175	-78.7	164.4	0	0	0	111.1	I11 S12 I18 L19	I11-L15 HydrophobicContact CG2-CD1 3.94Å; I11-L15 WeakPolarHBondContact O-CB 3.45Å; I11-L15 WeakPolarHBondContact O-CG 3.49Å; I11-L15 PolarHBondContact O-N 2.79Å; S12-L15 PolarHBondContact O-N 2.73Å; L15-I18 PolarHBondContact O-N 3.25Å; L15-L19 VanDerWaalsContact O-CB 3.26Å; L15-L19 WeakPolarHBondContact O-CB 3.4Å; L15-L19 PolarHBondContact O-N 2.83Å
16	L	70.1	Confident	58.2	Low	100 Å²	100	90.1 Å²	90.1	52%	0.524	49%	0.485	S	S	.	.	H	α-helix	trans	-64.3	-45.4	177	-172.7	69.1	0	0	0	111.8	S12 T13 C14 L19 L20	S12-L16 PolarHBondContact O-N 2.86Å; T13-L16 PolarHBondContact O-N 3.35Å; C14-L16 VanDerWaalsContact C-N 3.32Å; C14-L16 PolarHBondContact O-N 3.32Å; L16-L19 PolarHBondContact O-N 3.46Å; L16-L20 HydrophobicContact CD1-CD1 4.41Å; L16-L20 HydrophobicContact CD1-CG 4.45Å; L16-L20 HydrophobicContact CD2-CD1 4.45Å; L16-L20 HydrophobicContact CG-CD1 3.91Å; L16-L20 HydrophobicContact CG-CG 4.35Å; L16-L20 VanDerWaalsContact O-CB 3.31Å; L16-L20 WeakPolarHBondContact O-CB 3.15Å; L16-L20 WeakPolarHBondContact O-CG 3.34Å; L16-L20 PolarHBondContact O-N 3.23Å
17	V	65.3	Low	58.1	Low	75 Å²	75	91.2 Å²	91.2	46%	0.455	48%	0.484	S	S	.	.	H	α-helix	trans	-63.5	-41.7	176.8	172.4	0	0	0	0	110.9	T13 C14 L19 L20 T21	T13-V17 WeakPolarHBondContact O-CB 3.42Å; T13-V17 VanDerWaalsContact O-CG2 3.26Å; T13-V17 WeakPolarHBondContact O-CG2 3.43Å; T13-V17 PolarHBondContact O-N 2.97Å; C14-V17 PolarHBondContact O-N 3.38Å; V17-L19 VanDerWaalsContact C-N 3.35Å; V17-L20 PolarHBondContact O-N 2.92Å; V17-T21 HydrophobicContact CG1-CG2 4.27Å; V17-T21 WeakPolarHBondContact O-CB 3.48Å; V17-T21 VanDerWaalsContact O-CG2 3.25Å; V17-T21 WeakPolarHBondContact O-CG2 3.34Å; V17-T21 PolarHBondContact O-N 3.43Å; V17-T21 PolarHBondContact O-OG1 2.9Å
18	I	62.1	Low	57.7	Low	86 Å²	86	92.7 Å²	92.7	44%	0.441	48%	0.479	S	S	.	.	H	α-helix	trans	-64.8	-40.1	175.2	-68.3	163.9	0	0	0	110.9	C14 L15 T21 K22	C14-I18 WeakPolarHBondContact O-CB 3.31Å; C14-I18 WeakPolarHBondContact O-CD1 3.33Å; C14-I18 WeakPolarHBondContact O-CG1 3.25Å; C14-I18 PolarHBondContact O-N 3.32Å; L15-I18 PolarHBondContact O-N 3.25Å; I18-T21 VanDerWaalsContact CA-OG1 3.3Å; I18-T21 WeakPolarHBondContact CA-OG1 3.41Å; I18-T21 PolarHBondContact O-OG1 3.41Å; I18-K22 HydrophobicContact CG2-CD 4.24Å; I18-K22 VanDerWaalsContact O-CB 3.31Å; I18-K22 WeakPolarHBondContact O-CB 3.48Å; I18-K22 VanDerWaalsContact O-CG 3.25Å; I18-K22 WeakPolarHBondContact O-CG 3.21Å; I18-K22 PolarHBondContact O-N 3.22Å
19	L	61	Low	57.6	Low	100 Å²	100	91.2 Å²	91.2	52%	0.524	47%	0.467	S	S	.	.	H	α-helix	trans	-67.4	-46.6	178.3	-157.6	84.6	0	0	0	110.7	L15 L16 V17 K22 F23	L15-L19 VanDerWaalsContact O-CB 3.26Å; L15-L19 WeakPolarHBondContact O-CB 3.4Å; L15-L19 PolarHBondContact O-N 2.83Å; L16-L19 PolarHBondContact O-N 3.46Å; V17-L19 VanDerWaalsContact C-N 3.35Å; L19-K22 PolarHBondContact O-N 3.47Å; L19-F23 HydrophobicContact CG-CD2 4.22Å; L19-F23 HydrophobicContact CG-CE2 4.43Å; L19-F23 WeakPolarHBondContact O-CB 3.17Å; L19-F23 WeakPolarHBondContact O-CD2 3.28Å; L19-F23 PolarHBondContact O-N 3.06Å
20	L	60.2	Low	57.9	Low	79 Å²	79	86.6 Å²	86.6	41%	0.414	45%	0.448	S	S	.	.	H	α-helix	trans	-63.2	-47.5	177.5	-72.8	171.4	0	0	0	111	L16 V17 K22 F23 F24	L16-L20 HydrophobicContact CD1-CD1 4.41Å; L16-L20 HydrophobicContact CD1-CG 4.45Å; L16-L20 HydrophobicContact CD2-CD1 4.45Å; L16-L20 HydrophobicContact CG-CD1 3.91Å; L16-L20 HydrophobicContact CG-CG 4.35Å; L16-L20 VanDerWaalsContact O-CB 3.31Å; L16-L20 WeakPolarHBondContact O-CB 3.15Å; L16-L20 WeakPolarHBondContact O-CG 3.34Å; L16-L20 PolarHBondContact O-N 3.23Å; V17-L20 PolarHBondContact O-N 2.92Å; L20-K22 PolarHBondContact O-N 3.41Å; L20-F23 CarbonylContact O-C 3.59Å; L20-F23 PolarHBondContact O-N 3.06Å; L20-F23 VanDerWaalsContact O-N 3.13Å; L20-F24 HydrophobicContact CB-CD2 4.24Å; L20-F24 HydrophobicContact CB-CE2 4.23Å; L20-F24 HydrophobicContact CD2-CE2 4.24Å; L20-F24 WeakPolarHBondContact O-CB 3.17Å; L20-F24 WeakPolarHBondContact O-CD2 3.25Å; L20-F24 PolarHBondContact O-N 3Å
21	T	56.8	Low	58.2	Low	53 Å²	53	87.3 Å²	87.3	33%	0.325	45%	0.453	S	S	.	.	H	α-helix	trans	-61.6	-41.8	176.7	49.3	0	0	0	0	111.6	V17 I18 N25	V17-T21 HydrophobicContact CG1-CG2 4.27Å; V17-T21 WeakPolarHBondContact O-CB 3.48Å; V17-T21 VanDerWaalsContact O-CG2 3.25Å; V17-T21 WeakPolarHBondContact O-CG2 3.34Å; V17-T21 PolarHBondContact O-N 3.43Å; V17-T21 PolarHBondContact O-OG1 2.9Å; I18-T21 VanDerWaalsContact CA-OG1 3.3Å; I18-T21 WeakPolarHBondContact CA-OG1 3.41Å; I18-T21 PolarHBondContact O-OG1 3.41Å; T21-N25 WeakPolarHBondContact O-CB 3.25Å; T21-N25 PolarHBondContact O-N 3.29Å; T21-N25 PolarHBondContact O-ND2 3.49Å; T21-N25 VanDerWaalsContact O-ND2 3.11Å
22	K	56.9	Low	58	Low	146 Å²	146	86.1 Å²	86.1	64%	0.635	45%	0.445	S	S	*	.	H	α-helix	trans	-61.2	-42.6	171.8	-77.5	-179.7	179.8	-175.1	0	112.4	I18 L19 L20 C26	I18-K22 HydrophobicContact CG2-CD 4.24Å; I18-K22 VanDerWaalsContact O-CB 3.31Å; I18-K22 WeakPolarHBondContact O-CB 3.48Å; I18-K22 VanDerWaalsContact O-CG 3.25Å; I18-K22 WeakPolarHBondContact O-CG 3.21Å; I18-K22 PolarHBondContact O-N 3.22Å; L19-K22 PolarHBondContact O-N 3.47Å; L20-K22 PolarHBondContact O-N 3.41Å; K22-C26 VanDerWaalsContact O-CB 3.28Å; K22-C26 WeakPolarHBondContact O-CB 3.35Å; K22-C26 PolarHBondContact O-N 2.95Å
23	F	54.7	Low	57.4	Low	114 Å²	114	83.6 Å²	83.6	50%	0.5	43%	0.426	S	S	.	.	H	α-helix	trans	-66.3	-47.4	177.9	-103.8	-79.8	0	0	0	112.5	L19 L20 C26 Q27 L193	L19-F23 HydrophobicContact CG-CD2 4.22Å; L19-F23 HydrophobicContact CG-CE2 4.43Å; L19-F23 WeakPolarHBondContact O-CB 3.17Å; L19-F23 WeakPolarHBondContact O-CD2 3.28Å; L19-F23 PolarHBondContact O-N 3.06Å; L20-F23 CarbonylContact O-C 3.59Å; L20-F23 PolarHBondContact O-N 3.06Å; L20-F23 VanDerWaalsContact O-N 3.13Å; F23-C26 WeakPolarHBondContact O-CB 3.5Å; F23-C26 PolarHBondContact O-N 3.34Å; F23-Q27 PolarHBondContact O-N 3.37Å; F23-L193 HydrophobicContact CE1-CD1 4.45Å; F23-L193 HydrophobicContact CZ-CD1 4.44Å
24	F	51.7	Low	57.4	Low	131 Å²	131	86.3 Å²	86.3	58%	0.575	43%	0.432	S	S	*	.	H	α-helix	trans	-64.4	-41.9	177.4	-78.6	-65.7	0	0	0	111.4	L20 C26 Q27 F28	L20-F24 HydrophobicContact CB-CD2 4.24Å; L20-F24 HydrophobicContact CB-CE2 4.23Å; L20-F24 HydrophobicContact CD2-CE2 4.24Å; L20-F24 WeakPolarHBondContact O-CB 3.17Å; L20-F24 WeakPolarHBondContact O-CD2 3.25Å; L20-F24 PolarHBondContact O-N 3Å; F24-C26 VanDerWaalsContact C-N 3.32Å; F24-C26 PolarHBondContact O-N 2.84Å; F24-Q27 PolarHBondContact O-N 2.84Å; F24-F28 WeakPolarHBondContact O-CB 3.26Å; F24-F28 PolarHBondContact O-N 2.94Å
25	N	52.3	Low	57	Low	84 Å²	84	90 Å²	90	45%	0.449	45%	0.447	S	S	.	.	H	α-helix	trans	-61.5	-42.5	173.9	-72	-21.8	0	0	0	110.9	T21 T29	T21-N25 WeakPolarHBondContact O-CB 3.25Å; T21-N25 PolarHBondContact O-N 3.29Å; T21-N25 PolarHBondContact O-ND2 3.49Å; T21-N25 VanDerWaalsContact O-ND2 3.11Å; N25-T29 WeakPolarHBondContact O-CB 3.31Å; N25-T29 PolarHBondContact O-N 2.89Å; N25-T29 PolarHBondContact O-OG1 3.48Å
26	C	54.3	Low	56.5	Low	25 Å²	25	87.2 Å²	87.2	17%	0.169	44%	0.435	C	S	.	.	H	α-helix	trans	-63.2	-48.2	176	-171.3	0	0	0	0	111.8	K22 F23 F24 T29 C30	K22-C26 VanDerWaalsContact O-CB 3.28Å; K22-C26 WeakPolarHBondContact O-CB 3.35Å; K22-C26 PolarHBondContact O-N 2.95Å; F23-C26 WeakPolarHBondContact O-CB 3.5Å; F23-C26 PolarHBondContact O-N 3.34Å; F24-C26 VanDerWaalsContact C-N 3.32Å; F24-C26 PolarHBondContact O-N 2.84Å; C26-T29 PolarHBondContact O-N 2.86Å; C26-C30 WeakPolarHBondContact O-CB 3.3Å; C26-C30 PolarHBondContact O-N 3.39Å; C26-C30 PolarHBondContact O-SG 2.97Å
27	Q	50.2	Low	56.2	Low	91 Å²	91	90.7 Å²	90.7	43%	0.425	45%	0.445	S	S	.	.	H	α-helix	trans	-63.7	-45.4	179.5	-171.8	-178.6	-10.4	0	0	112	F23 F24 T29 C30 E31	F23-Q27 PolarHBondContact O-N 3.37Å; F24-Q27 PolarHBondContact O-N 2.84Å; Q27-T29 VanDerWaalsContact C-N 3.33Å; Q27-T29 PolarHBondContact O-N 3.46Å; Q27-C30 PolarHBondContact O-N 3.24Å; Q27-E31 PolarHBondContact O-N 3.11Å
28	F	49.8	Very low	56.4	Low	125 Å²	125	91.4 Å²	91.4	55%	0.548	44%	0.44	S	S	.	.	H	α-helix	trans	-59.6	-45.5	176.4	-178.6	-95.8	0	0	0	111	F24 C30 E31 H32	F24-F28 WeakPolarHBondContact O-CB 3.26Å; F24-F28 PolarHBondContact O-N 2.94Å; F28-C30 PolarHBondContact O-N 2.62Å; F28-E31 PolarHBondContact O-N 2.84Å; F28-H32 WeakPolarHBondContact O-CB 3.3Å; F28-H32 PolarHBondContact O-N 3.43Å
29	T	55.8	Low	57.2	Low	42 Å²	42	91.6 Å²	91.6	26%	0.258	44%	0.44	S	S	.	.	H	α-helix	trans	-60.8	-46.2	176.1	-57.8	0	0	0	0	110.1	N25 C26 Q27 E31 H32 I33	N25-T29 WeakPolarHBondContact O-CB 3.31Å; N25-T29 PolarHBondContact O-N 2.89Å; N25-T29 PolarHBondContact O-OG1 3.48Å; C26-T29 PolarHBondContact O-N 2.86Å; Q27-T29 VanDerWaalsContact C-N 3.33Å; Q27-T29 PolarHBondContact O-N 3.46Å; T29-E31 PolarHBondContact O-N 3.02Å; T29-H32 PolarHBondContact O-N 3.29Å; T29-I33 HydrophobicContact CG2-CD1 3.3Å; T29-I33 HydrophobicContact CG2-CG1 3.92Å; T29-I33 WeakPolarHBondContact O-CD1 3.26Å; T29-I33 WeakPolarHBondContact O-CG1 3.4Å; T29-I33 PolarHBondContact O-N 3.28Å
30	C	59	Low	58.4	Low	16 Å²	16	92.4 Å²	92.4	11%	0.108	44%	0.439	C	S	.	.	H	α-helix	trans	-65.1	-37.9	-179	-70.4	0	0	0	0	114.8	C26 Q27 F28 K34 C192	C26-C30 WeakPolarHBondContact O-CB 3.3Å; C26-C30 PolarHBondContact O-N 3.39Å; C26-C30 PolarHBondContact O-SG 2.97Å; Q27-C30 PolarHBondContact O-N 3.24Å; F28-C30 PolarHBondContact O-N 2.62Å; C30-K34 WeakPolarHBondContact O-CG 3.32Å; C30-C192 HydrophobicContact CB-CB 3.98Å; C30-C192 WeakPolarHBondContact CB-SG 3.43Å; C30-C192 VanDerWaalsContact SG-CA 3.55Å; C30-C192 WeakPolarHBondContact SG-CB 3.35Å; C30-C192 CovalentContact SG-SG 2.03Å; C30-C192 PolarHBondContact SG-SG 2.87Å
31	E	57.9	Low	59.8	Low	134 Å²	134	92.6 Å²	92.6	63%	0.626	44%	0.439	S	S	*	.	H	α-helix	trans	-71.1	-38.3	174.8	-75.4	-170.2	-176.7	0	0	111.9	Q27 F28 T29	Q27-E31 PolarHBondContact O-N 3.11Å; F28-E31 PolarHBondContact O-N 2.84Å; T29-E31 PolarHBondContact O-N 3.02Å
32	H	55.9	Low	61.5	Low	83 Å²	83	94.2 Å²	94.2	38%	0.384	45%	0.445	S	S	.	.	H	α-helix	trans	-75.6	-38.4	-176.6	-142.7	-86.2	0	0	0	112.4	F28 T29 K34 V36	F28-H32 WeakPolarHBondContact O-CB 3.3Å; F28-H32 PolarHBondContact O-N 3.43Å; T29-H32 PolarHBondContact O-N 3.29Å; H32-K34 VanDerWaalsContact C-N 3.33Å; H32-K34 PolarHBondContact O-N 2.93Å; H32-V36 WeakPolarHBondContact O-CG2 3.47Å
33	I	54.5	Low	63.2	Low	20 Å²	20	90 Å²	90	10%	0.103	43%	0.434	C	S	.	.	H	α-helix	trans	-69.5	-30.9	-176.8	-50.8	157.9	0	0	0	111.8	T29 N35 V36 Y188 H203	T29-I33 HydrophobicContact CG2-CD1 3.3Å; T29-I33 HydrophobicContact CG2-CG1 3.92Å; T29-I33 WeakPolarHBondContact O-CD1 3.26Å; T29-I33 WeakPolarHBondContact O-CG1 3.4Å; T29-I33 PolarHBondContact O-N 3.28Å; I33-N35 PolarHBondContact O-N 3.49Å; I33-V36 PolarHBondContact O-N 3.1Å; I33-Y188 HydrophobicContact CD1-CE2 4.19Å; I33-Y188 VanDerWaalsContact CD1-OH 3.26Å; I33-Y188 WeakPolarHBondContact CD1-OH 3.08Å; I33-Y188 VanDerWaalsContact CG1-OH 3.32Å; I33-Y188 WeakPolarHBondContact CG1-OH 3.03Å; I33-Y188 WeakPolarHBondContact CG2-OH 2.97Å; I33-H203 WeakPolarHBondContact CB-NE2 3.47Å; I33-H203 HydrophobicContact CG2-CB 3.8Å; I33-H203 WeakPolarHBondContact CG2-CD2 3.4Å; I33-H203 VanDerWaalsContact CG2-CE1 3.48Å; I33-H203 WeakPolarHBondContact CG2-CE1 3.44Å; I33-H203 WeakPolarHBondContact CG2-ND1 2.97Å; I33-H203 WeakPolarHBondContact CG2-NE2 3.27Å; I33-H203 PolarHBondContact O-CD2 3.24Å; I33-H203 PolarHBondContact O-NE2 3.03Å
34	K	53.8	Low	65.1	Low	127 Å²	127	89.2 Å²	89.2	55%	0.552	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-25.1	-176.7	-80.3	-178.2	-177.8	-177.8	0	114.7	C30 H32	C30-K34 WeakPolarHBondContact O-CG 3.32Å; H32-K34 VanDerWaalsContact C-N 3.33Å; H32-K34 PolarHBondContact O-N 2.93Å
35	N	50.5	Low	66.9	Low	147 Å²	147	87 Å²	87	79%	0.786	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.4	8.6	-171	-71.2	-39.7	0	0	0	115.3	I33 K37	I33-N35 PolarHBondContact O-N 3.49Å; N35-K37 PolarHBondContact O-N 2.03Å
36	V	54.3	Low	68.5	Low	54 Å²	54	86.5 Å²	86.5	33%	0.327	43%	0.434	S	S	.	.			trans	-106.6	75.1	-166.1	173.8	0	0	0	0	109.6	H32 I33 Y38	H32-V36 WeakPolarHBondContact O-CG2 3.47Å; I33-V36 PolarHBondContact O-N 3.1Å; V36-Y38 HydrophobicContact CG1-CG 4.27Å; V36-Y38 PolarHBondContact O-N 3.17Å
37	K	63	Low	70.1	Confident	172 Å²	172	89 Å²	89	75%	0.748	45%	0.448	S	S	*	.			trans	-72.4	71.1	145.3	-74.8	-161.8	-178.7	-161.4	0	106.7	N35 E206	N35-K37 PolarHBondContact O-N 2.03Å; K37-E206 IonicContact NZ-OE2 3.01Å; K37-E206 PolarHBondContact NZ-OE2 2.83Å
38	Y	69.2	Low	71.9	Confident	90 Å²	90	88 Å²	88	35%	0.353	44%	0.441	S	S	.	.			trans	-97.1	122.9	178.5	176.2	-91.5	0	0	0	109.6	V36 K40 H53	V36-Y38 HydrophobicContact CG1-CG 4.27Å; V36-Y38 PolarHBondContact O-N 3.17Å; Y38-K40 HydrophobicContact CE1-CB 3.9Å; Y38-K40 HydrophobicContact CE2-CB 4.36Å; Y38-K40 WeakPolarHBondContact OH-CB 3.44Å; Y38-K40 VanDerWaalsContact OH-CD 3.3Å; Y38-K40 WeakPolarHBondContact OH-CD 3.34Å; Y38-H53 WeakPolarHBondContact O-CA 3.25Å; Y38-H53 PolarHBondContact O-ND1 2.85Å
39	E	79.4	Confident	73.8	Confident	91 Å²	91	84.2 Å²	84.2	43%	0.425	42%	0.423	S	S	.	.			trans	-132.6	122.7	166.3	176.6	177	-153.3	0	0	106.4	I41 R49 H53	E39-I41 HydrophobicContact CG-CG1 4.46Å; E39-R49 IonicContact OE1-CZ 2.85Å; E39-R49 IonicContact OE1-NH1 3.87Å; E39-R49 PolarHBondContact OE1-NH1 3.39Å; E39-R49 IonicContact OE1-NH2 3.6Å; E39-R49 PolarHBondContact OE1-NH2 3.44Å; E39-H53 IonicContact OE1-CE1 2.61Å; E39-H53 IonicContact OE1-NE2 2.73Å
40	K	86.7	Confident	75.4	Confident	116 Å²	116	85 Å²	85	50%	0.504	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	108.1	168.3	179	179.5	178	-177.2	0	108.3	Y38 I42 S51 D52	Y38-K40 HydrophobicContact CE1-CB 3.9Å; Y38-K40 HydrophobicContact CE2-CB 4.36Å; Y38-K40 WeakPolarHBondContact OH-CB 3.44Å; Y38-K40 VanDerWaalsContact OH-CD 3.3Å; Y38-K40 WeakPolarHBondContact OH-CD 3.34Å; K40-I42 PolarHBondContact O-N 2.96Å; K40-S51 CarbonylContact O-C 3.6Å; K40-S51 WeakPolarHBondContact O-CA 3.28Å; K40-D52 HydrophobicContact CB-CB 4.36Å; K40-D52 PolarHBondContact N-O 3.22Å; K40-D52 PolarHBondContact O-N 2.83Å
41	I	89.7	Confident	76.8	Confident	83 Å²	83	84.2 Å²	84.2	43%	0.426	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	118	171	-57.2	176.4	0	0	0	107.7	E39 E44	E39-I41 HydrophobicContact CG-CG1 4.46Å; I41-E44 HydrophobicContact CG2-CB 3.88Å
42	I	92.5	Very high	78	Confident	87 Å²	87	79.3 Å²	79.3	45%	0.446	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	-40.6	177.7	-67.1	171.1	0	0	0	109.9	K40 Y50 D52 F57	K40-I42 PolarHBondContact O-N 2.96Å; I42-Y50 HydrophobicContact CB-CD1 3.71Å; I42-Y50 HydrophobicContact CB-CE1 4.23Å; I42-Y50 HydrophobicContact CD1-CD1 3.84Å; I42-Y50 HydrophobicContact CD1-CE1 3.5Å; I42-Y50 VanDerWaalsContact CD1-CE1 3.5Å; I42-Y50 HydrophobicContact CG1-CD1 4.34Å; I42-Y50 HydrophobicContact CG1-CE1 4.45Å; I42-Y50 HydrophobicContact CG2-CD1 3.78Å; I42-Y50 HydrophobicContact CG2-CE1 4.15Å; I42-Y50 PolarHBondContact N-O 3.38Å; I42-D52 HydrophobicContact CD1-CB 3.82Å; I42-D52 HydrophobicContact CG1-CB 4.33Å; I42-F57 HydrophobicContact CD1-CD1 4.19Å; I42-F57 HydrophobicContact CD1-CE1 3.9Å
43	S	93.1	Very high	79	Confident	57 Å²	57	76 Å²	76	40%	0.399	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	140.6	179.3	-179.6	0	0	0	0	110.1	R49 Y50	S43-R49 CarbonylContact O-C 3.53Å; S43-Y50 PolarHBondContact N-O 3.47Å; S43-Y50 PolarHBondContact O-N 2.83Å
44	E	93.2	Very high	79.8	Confident	99 Å²	99	79.1 Å²	79.1	46%	0.463	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	144.9	179	-176.2	171.1	-143.2	0	0	111	I41 Y48 R49	I41-E44 HydrophobicContact CG2-CB 3.88Å; E44-Y48 CarbonylContact C-O 3.57Å; E44-Y48 WeakPolarHBondContact CA-O 2.94Å; E44-R49 HydrophobicContact CB-CG 4.19Å; E44-R49 HydrophobicContact CG-CB 4.21Å; E44-R49 HydrophobicContact CG-CG 4.01Å; E44-R49 VanDerWaalsContact OE1-CD 3.31Å; E44-R49 WeakPolarHBondContact OE1-CD 2.95Å
45	N	90.4	Very high	80.7	Confident	83 Å²	83	74.4 Å²	74.4	44%	0.444	37%	0.371	S	S	.	.			trans	-146.8	-164.9	166.7	67.9	43	0	0	0	110.1	T47 Y48	N45-T47 VanDerWaalsContact C-N 3.32Å; N45-T47 PolarHBondContact O-N 2.92Å; N45-T47 PolarHBondContact OD1-N 2.86Å; N45-T47 PolarHBondContact OD1-OG1 3.03Å; N45-Y48 PolarHBondContact N-O 3.4Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.29Å; N45-Y48 PolarHBondContact OD1-N 2.83Å
46	A	86.2	Confident	82	Confident	75 Å²	75	67.5 Å²	67.5	62%	0.62	33%	0.333	S	S	*	.	S	Bend	trans	-59.8	-38	-178.4	0	0	0	0	0	113.9	K211	A46-K211 PolarHBondContact O-NZ 3.41Å; A46-K211 VanDerWaalsContact O-NZ 3.09Å
47	T	87.3	Confident	83.5	Confident	76 Å²	76	67.1 Å²	67.1	47%	0.466	33%	0.328	S	S	.	.	S	Bend	trans	-115.7	-0.4	-170.6	60.2	0	0	0	0	114.3	N45 V62	N45-T47 VanDerWaalsContact C-N 3.32Å; N45-T47 PolarHBondContact O-N 2.92Å; N45-T47 PolarHBondContact OD1-N 2.86Å; N45-T47 PolarHBondContact OD1-OG1 3.03Å; T47-V62 WeakPolarHBondContact O-CG2 3.47Å; T47-V62 PolarHBondContact O-N 3.48Å
48	Y	87.5	Confident	84.5	Confident	70 Å²	70	59.1 Å²	59.1	28%	0.275	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	138.9	-173.6	168.3	-98.9	0	0	0	111	E44 N45 Y50 T59 V60 L61	E44-Y48 CarbonylContact C-O 3.57Å; E44-Y48 WeakPolarHBondContact CA-O 2.94Å; N45-Y48 PolarHBondContact N-O 3.4Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.29Å; N45-Y48 PolarHBondContact OD1-N 2.83Å; Y48-Y50 WeakPolarHBondContact OH-CB 3.29Å; Y48-T59 HydrophobicContact CD2-CG2 3.97Å; Y48-T59 HydrophobicContact CE2-CG2 3.51Å; Y48-V60 CarbonylContact C-O 3.54Å; Y48-V60 VanDerWaalsContact CA-O 3.31Å; Y48-V60 WeakPolarHBondContact CA-O 3.36Å; Y48-L61 HydrophobicContact CD2-CD2 3.59Å; Y48-L61 HydrophobicContact CE2-CD2 4.35Å
49	R	89.3	Confident	85.5	Confident	46 Å²	46	56 Å²	56	17%	0.174	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	135.3	168.1	-168.5	178.8	83.7	152.4	14.8	109.5	E39 S43 E44 Q58 T59 V60	E39-R49 IonicContact OE1-CZ 2.85Å; E39-R49 IonicContact OE1-NH1 3.87Å; E39-R49 PolarHBondContact OE1-NH1 3.39Å; E39-R49 IonicContact OE1-NH2 3.6Å; E39-R49 PolarHBondContact OE1-NH2 3.44Å; S43-R49 CarbonylContact O-C 3.53Å; E44-R49 HydrophobicContact CB-CG 4.19Å; E44-R49 HydrophobicContact CG-CB 4.21Å; E44-R49 HydrophobicContact CG-CG 4.01Å; E44-R49 VanDerWaalsContact OE1-CD 3.31Å; E44-R49 WeakPolarHBondContact OE1-CD 2.95Å; R49-Q58 VanDerWaalsContact NH2-OE1 3.09Å; R49-T59 CarbonylContact O-C 3.6Å; R49-T59 WeakPolarHBondContact O-CA 3.23Å; R49-V60 HydrophobicContact CB-CB 4.05Å; R49-V60 HydrophobicContact CB-CG2 4.17Å; R49-V60 PolarHBondContact N-O 3.31Å; R49-V60 PolarHBondContact O-N 2.82Å
50	Y	91.1	Very high	85.9	Confident	58 Å²	58	52.4 Å²	52.4	23%	0.227	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	122.5	173.5	-177.1	-118.5	0	0	0	110	I42 S43 Y48 F57 Q58 T59	I42-Y50 HydrophobicContact CB-CD1 3.71Å; I42-Y50 HydrophobicContact CB-CE1 4.23Å; I42-Y50 HydrophobicContact CD1-CD1 3.84Å; I42-Y50 HydrophobicContact CD1-CE1 3.5Å; I42-Y50 VanDerWaalsContact CD1-CE1 3.5Å; I42-Y50 HydrophobicContact CG1-CD1 4.34Å; I42-Y50 HydrophobicContact CG1-CE1 4.45Å; I42-Y50 HydrophobicContact CG2-CD1 3.78Å; I42-Y50 HydrophobicContact CG2-CE1 4.15Å; I42-Y50 PolarHBondContact N-O 3.38Å; S43-Y50 PolarHBondContact N-O 3.47Å; S43-Y50 PolarHBondContact O-N 2.83Å; Y48-Y50 WeakPolarHBondContact OH-CB 3.29Å; Y50-F57 HydrophobicContact CE1-CD1 4.38Å; Y50-F57 HydrophobicContact CE2-CB 3.76Å; Y50-F57 HydrophobicContact CE2-CD1 4.34Å; Y50-F57 HydrophobicContact CE2-CG 4.22Å; Y50-F57 AromaticContact CZ-CD1 3.77Å; Y50-F57 AromaticContact CZ-CG 3.88Å; Y50-F57 VanDerWaalsContact OH-CD1 3.29Å; Y50-F57 WeakPolarHBondContact OH-CD1 3.43Å; Y50-F57 WeakPolarHBondContact OH-CG 3.1Å; Y50-Q58 WeakPolarHBondContact CA-O 3.42Å; Y50-Q58 VanDerWaalsContact CD2-O 3.3Å; Y50-Q58 WeakPolarHBondContact CD2-O 3.16Å; Y50-T59 WeakPolarHBondContact CD2-OG1 3.37Å
51	S	87.3	Confident	85.9	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	146.5	-174.4	48.2	0	0	0	0	111.9	K40 H53 F57 Q58	K40-S51 CarbonylContact O-C 3.6Å; K40-S51 WeakPolarHBondContact O-CA 3.28Å; S51-H53 PolarHBondContact OG-NE2 3.46Å; S51-F57 WeakPolarHBondContact O-CA 3.48Å; S51-Q58 PolarHBondContact N-O 2.76Å; S51-Q58 PolarHBondContact O-N 3.2Å; S51-Q58 PolarHBondContact OG-OE1 3.19Å
52	D	83.9	Confident	85.7	Confident	31 Å²	31	45.2 Å²	45.2	17%	0.166	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	125.1	171	175.3	13.9	0	0	0	109.2	K40 I42 Y54 F57	K40-D52 HydrophobicContact CB-CB 4.36Å; K40-D52 PolarHBondContact N-O 3.22Å; K40-D52 PolarHBondContact O-N 2.83Å; I42-D52 HydrophobicContact CD1-CB 3.82Å; I42-D52 HydrophobicContact CG1-CB 4.33Å; D52-Y54 WeakPolarHBondContact OD1-CA 2.99Å; D52-Y54 PolarHBondContact OD1-N 3.44Å; D52-F57 HydrophobicContact CB-CD1 3.92Å; D52-F57 HydrophobicContact CB-CE1 3.76Å
53	H	76.1	Confident	85.3	Confident	14 Å²	14	46 Å²	46	7%	0.065	24%	0.237	C	C	.	.			trans	-116.7	33.6	178.4	-65.5	-96.8	0	0	0	111.5	Y38 E39 S51 E55 Y56 Q58	Y38-H53 WeakPolarHBondContact O-CA 3.25Å; Y38-H53 PolarHBondContact O-ND1 2.85Å; E39-H53 IonicContact OE1-CE1 2.61Å; E39-H53 IonicContact OE1-NE2 2.73Å; S51-H53 PolarHBondContact OG-NE2 3.46Å; H53-E55 PolarHBondContact O-N 3.43Å; H53-Y56 HydrophobicContact CB-CD1 4.05Å; H53-Y56 HydrophobicContact CB-CD2 4.21Å; H53-Y56 HydrophobicContact CB-CE1 3.4Å; H53-Y56 HydrophobicContact CB-CE2 3.59Å; H53-Y56 HydrophobicContact CB-CG 4.37Å; H53-Y56 WeakPolarHBondContact CB-OH 3.09Å; H53-Y56 AromaticContact CD2-CE2 3.55Å; H53-Y56 AromaticContact CD2-CZ 3.82Å; H53-Y56 AromaticContact CG-CE2 3.64Å; H53-Y56 AromaticContact CG-CZ 3.4Å; H53-Y56 PolarHBondContact N-O 2.85Å; H53-Y56 PolarHBondContact ND1-OH 3.22Å; H53-Y56 VanDerWaalsContact ND1-OH 3.15Å; H53-Q58 PolarHBondContact NE2-OE1 3.01Å
54	Y	71.1	Confident	84.9	Confident	85 Å²	85	46.4 Å²	46.4	33%	0.333	23%	0.233	S	C	.	.	S	Bend	trans	70.2	-62.5	178.8	-169.6	-98	0	0	0	113.3	D52	D52-Y54 WeakPolarHBondContact OD1-CA 2.99Å; D52-Y54 PolarHBondContact OD1-N 3.44Å
55	E	73.4	Confident	84.5	Confident	29 Å²	29	46.2 Å²	46.2	14%	0.136	24%	0.24	C	C	.	.	S	Bend	trans	-86.2	-17.2	-179.2	-65.3	-59.7	159.7	0	0	113.5	H53 Y92 N223	H53-E55 PolarHBondContact O-N 3.43Å; E55-Y92 HydrophobicContact CB-CD1 4.01Å; E55-Y92 HydrophobicContact CB-CE1 3.54Å; E55-Y92 HydrophobicContact CG-CD1 4.25Å; E55-Y92 HydrophobicContact CG-CE1 4Å; E55-N223 PolarHBondContact O-N 3.26Å
56	Y	77.1	Confident	84.1	Confident	1 Å²	1	45.4 Å²	45.4	0%	0.004	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	159.9	-179.2	65.3	-81.4	0	0	0	111.6	H53 Q58 Y92 I205 F207 W220 S221	H53-Y56 HydrophobicContact CB-CD1 4.05Å; H53-Y56 HydrophobicContact CB-CD2 4.21Å; H53-Y56 HydrophobicContact CB-CE1 3.4Å; H53-Y56 HydrophobicContact CB-CE2 3.59Å; H53-Y56 HydrophobicContact CB-CG 4.37Å; H53-Y56 WeakPolarHBondContact CB-OH 3.09Å; H53-Y56 AromaticContact CD2-CE2 3.55Å; H53-Y56 AromaticContact CD2-CZ 3.82Å; H53-Y56 AromaticContact CG-CE2 3.64Å; H53-Y56 AromaticContact CG-CZ 3.4Å; H53-Y56 PolarHBondContact N-O 2.85Å; H53-Y56 PolarHBondContact ND1-OH 3.22Å; H53-Y56 VanDerWaalsContact ND1-OH 3.15Å; Y56-Q58 HydrophobicContact CE2-CB 4.2Å; Y56-Y92 WeakPolarHBondContact CD1-OH 3.29Å; Y56-I205 HydrophobicContact CD1-CD1 4.4Å; Y56-I205 HydrophobicContact CE1-CD1 3.55Å; Y56-I205 HydrophobicContact CE1-CG2 4.27Å; Y56-I205 WeakPolarHBondContact OH-CG2 3.47Å; Y56-F207 HydrophobicContact CE1-CZ 4.25Å; Y56-F207 AromaticContact CE2-CE1 3.56Å; Y56-F207 HydrophobicContact CE2-CE1 3.56Å; Y56-F207 AromaticContact CE2-CZ 3.77Å; Y56-F207 HydrophobicContact CE2-CZ 3.77Å; Y56-F207 AromaticContact CZ-CE1 3.5Å; Y56-F207 VanDerWaalsContact CZ-CE1 3.5Å; Y56-F207 AromaticContact CZ-CZ 3.36Å; Y56-F207 WeakPolarHBondContact OH-CE1 3.4Å; Y56-F207 WeakPolarHBondContact OH-CZ 3.31Å; Y56-W220 HydrophobicContact CD2-CE3 4.11Å; Y56-W220 HydrophobicContact CE2-CE3 4.21Å; Y56-W220 HydrophobicContact CE2-CZ3 4.22Å; Y56-S221 WeakPolarHBondContact CA-O 3.48Å; Y56-S221 WeakPolarHBondContact CB-O 3.49Å
57	F	85.3	Confident	83.8	Confident	47 Å²	47	43.9 Å²	43.9	21%	0.206	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	141.5	167.2	-65.1	-66.8	0	0	0	110.6	I42 Y50 S51 D52 W220 S221 N223	I42-F57 HydrophobicContact CD1-CD1 4.19Å; I42-F57 HydrophobicContact CD1-CE1 3.9Å; Y50-F57 HydrophobicContact CE1-CD1 4.38Å; Y50-F57 HydrophobicContact CE2-CB 3.76Å; Y50-F57 HydrophobicContact CE2-CD1 4.34Å; Y50-F57 HydrophobicContact CE2-CG 4.22Å; Y50-F57 AromaticContact CZ-CD1 3.77Å; Y50-F57 AromaticContact CZ-CG 3.88Å; Y50-F57 VanDerWaalsContact OH-CD1 3.29Å; Y50-F57 WeakPolarHBondContact OH-CD1 3.43Å; Y50-F57 WeakPolarHBondContact OH-CG 3.1Å; S51-F57 WeakPolarHBondContact O-CA 3.48Å; D52-F57 HydrophobicContact CB-CD1 3.92Å; D52-F57 HydrophobicContact CB-CE1 3.76Å; F57-W220 WeakPolarHBondContact O-CA 3.32Å; F57-S221 PolarHBondContact N-O 3.43Å; F57-S221 PolarHBondContact O-N 2.91Å; F57-N223 VanDerWaalsContact CD2-ND2 3.29Å; F57-N223 WeakPolarHBondContact CD2-ND2 3.18Å; F57-N223 VanDerWaalsContact CD2-OD1 3.23Å; F57-N223 WeakPolarHBondContact CD2-OD1 3.47Å; F57-N223 WeakPolarHBondContact CE2-ND2 3.46Å; F57-N223 WeakPolarHBondContact CE2-OD1 3.31Å; F57-N223 VanDerWaalsContact CZ-ND2 3.28Å; F57-N223 WeakPolarHBondContact CZ-ND2 3.3Å
58	Q	85.6	Confident	83.2	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.019	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.8	174.4	-173.5	-169.3	33.4	0	0	109.6	R49 Y50 S51 H53 Y56 V60 L218 L219	R49-Q58 VanDerWaalsContact NH2-OE1 3.09Å; Y50-Q58 WeakPolarHBondContact CA-O 3.42Å; Y50-Q58 VanDerWaalsContact CD2-O 3.3Å; Y50-Q58 WeakPolarHBondContact CD2-O 3.16Å; S51-Q58 PolarHBondContact N-O 2.76Å; S51-Q58 PolarHBondContact O-N 3.2Å; S51-Q58 PolarHBondContact OG-OE1 3.19Å; H53-Q58 PolarHBondContact NE2-OE1 3.01Å; Y56-Q58 HydrophobicContact CE2-CB 4.2Å; Q58-V60 HydrophobicContact CG-CG2 4.45Å; Q58-L218 HydrophobicContact CG-CD2 4.43Å; Q58-L219 CarbonylContact C-O 3.53Å; Q58-L219 WeakPolarHBondContact CA-O 3.34Å
59	T	89.6	Confident	82.5	Confident	25 Å²	25	45.3 Å²	45.3	15%	0.153	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	126.7	166.8	-48.8	0	0	0	0	109.3	Y48 R49 Y50 L61 L218 L219	Y48-T59 HydrophobicContact CD2-CG2 3.97Å; Y48-T59 HydrophobicContact CE2-CG2 3.51Å; R49-T59 CarbonylContact O-C 3.6Å; R49-T59 WeakPolarHBondContact O-CA 3.23Å; Y50-T59 WeakPolarHBondContact CD2-OG1 3.37Å; T59-L61 HydrophobicContact CG2-CD1 4.43Å; T59-L61 HydrophobicContact CG2-CD2 4.45Å; T59-L61 HydrophobicContact CG2-CG 4.04Å; T59-L218 CarbonylContact O-C 3.49Å; T59-L218 VanDerWaalsContact O-CA 3.29Å; T59-L218 WeakPolarHBondContact O-CA 3.16Å; T59-L219 PolarHBondContact N-O 2.95Å; T59-L219 PolarHBondContact O-N 3.17Å
60	V	86.7	Confident	81.7	Confident	14 Å²	14	47.6 Å²	47.6	9%	0.085	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	125.9	169	-168.9	0	0	0	0	107.9	Y48 R49 Q58 F209 V216 V217 L218	Y48-V60 CarbonylContact C-O 3.54Å; Y48-V60 VanDerWaalsContact CA-O 3.31Å; Y48-V60 WeakPolarHBondContact CA-O 3.36Å; R49-V60 HydrophobicContact CB-CB 4.05Å; R49-V60 HydrophobicContact CB-CG2 4.17Å; R49-V60 PolarHBondContact N-O 3.31Å; R49-V60 PolarHBondContact O-N 2.82Å; Q58-V60 HydrophobicContact CG-CG2 4.45Å; V60-F209 HydrophobicContact CG1-CD1 4.5Å; V60-F209 HydrophobicContact CG1-CE1 4.15Å; V60-V216 HydrophobicContact CG1-CG1 3.86Å; V60-V217 WeakPolarHBondContact CA-O 3.34Å; V60-L218 HydrophobicContact CB-CD2 4.14Å; V60-L218 HydrophobicContact CG1-CD2 4.09Å; V60-L218 HydrophobicContact CG2-CD2 3.59Å
61	L	87.9	Confident	81.1	Confident	38 Å²	38	46.7 Å²	46.7	20%	0.199	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	137.7	175.1	-67.7	164.1	0	0	0	109.7	Y48 T59 Q64 V216 V217 L219	Y48-L61 HydrophobicContact CD2-CD2 3.59Å; Y48-L61 HydrophobicContact CE2-CD2 4.35Å; T59-L61 HydrophobicContact CG2-CD1 4.43Å; T59-L61 HydrophobicContact CG2-CD2 4.45Å; T59-L61 HydrophobicContact CG2-CG 4.04Å; L61-Q64 HydrophobicContact CB-CG 3.41Å; L61-Q64 VanDerWaalsContact CB-CG 3.41Å; L61-Q64 HydrophobicContact CD1-CG 4.34Å; L61-Q64 HydrophobicContact CG-CG 4.45Å; L61-V216 CarbonylContact O-C 3.51Å; L61-V216 WeakPolarHBondContact O-CA 3.33Å; L61-V217 HydrophobicContact CB-CB 4.31Å; L61-V217 PolarHBondContact N-O 2.88Å; L61-V217 PolarHBondContact O-N 3.47Å; L61-L219 HydrophobicContact CD1-CD1 4.42Å
62	V	85.6	Confident	80.9	Confident	11 Å²	11	53.2 Å²	53.2	7%	0.067	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	151.9	-179.4	-168.7	0	0	0	0	110.3	T47 Q64 L213 K215	T47-V62 WeakPolarHBondContact O-CG2 3.47Å; T47-V62 PolarHBondContact O-N 3.48Å; V62-Q64 PolarHBondContact O-N 3.15Å; V62-Q64 PolarHBondContact O-NE2 2.93Å; V62-L213 HydrophobicContact CB-CD1 4.29Å; V62-L213 HydrophobicContact CB-CD2 4.38Å; V62-L213 HydrophobicContact CG1-CB 4.02Å; V62-L213 HydrophobicContact CG1-CD1 3.85Å; V62-L213 HydrophobicContact CG1-CD2 3.31Å; V62-L213 HydrophobicContact CG1-CG 3.88Å; V62-L213 HydrophobicContact CG2-CD1 3.44Å; V62-L213 VanDerWaalsContact CG2-CD1 3.44Å; V62-L213 HydrophobicContact CG2-CD2 4.12Å; V62-L213 HydrophobicContact CG2-CG 4.33Å; V62-K215 CarbonylContact C-O 3.54Å; V62-K215 WeakPolarHBondContact CA-O 3.18Å
63	E	84.5	Confident	81.2	Confident	104 Å²	104	54 Å²	54	49%	0.486	31%	0.306	S	S	.	.	S	Bend	trans	57.2	35.7	176.8	-62.2	-47.7	133.9	0	0	113.3	S214 K215	E63-S214 PolarHBondContact OE1-OG 2.94Å; E63-S214 PolarHBondContact OE2-OG 2.83Å; E63-K215 PolarHBondContact N-O 2.87Å
64	Q	84.2	Confident	82	Confident	64 Å²	64	57.7 Å²	57.7	30%	0.299	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-82.4	148.4	178	-61.8	-57	-71.7	0	0	111.4	L61 V62 Y169 K215 V217	L61-Q64 HydrophobicContact CB-CG 3.41Å; L61-Q64 VanDerWaalsContact CB-CG 3.41Å; L61-Q64 HydrophobicContact CD1-CG 4.34Å; L61-Q64 HydrophobicContact CG-CG 4.45Å; V62-Q64 PolarHBondContact O-N 3.15Å; V62-Q64 PolarHBondContact O-NE2 2.93Å; Q64-Y169 PolarHBondContact O-OH 2.92Å; Q64-K215 WeakPolarHBondContact O-CD 3.45Å; Q64-V217 HydrophobicContact CB-CB 4.47Å; Q64-V217 HydrophobicContact CB-CG2 3.53Å; Q64-V217 HydrophobicContact CG-CB 4.19Å; Q64-V217 HydrophobicContact CG-CG2 3.77Å
65	P	85	Confident	83	Confident	95 Å²	95	59 Å²	59	62%	0.617	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-63.8	154.3	169.7	28.8	-34.6	0	0	0	110.9
66	P	81	Confident	83.9	Confident	67 Å²	67	58.4 Å²	58.4	44%	0.435	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-55	143.8	172.8	-21.2	29.9	0	0	0	111.8	V68 Y169	P66-V68 PolarHBondContact O-N 2.93Å; P66-Y169 VanDerWaalsContact CA-CZ 3.45Å; P66-Y169 HydrophobicContact CB-CE1 3.81Å; P66-Y169 HydrophobicContact CG-CE1 4.17Å; P66-Y169 WeakPolarHBondContact CG-OH 3.42Å
67	P	81.4	Confident	84.5	Confident	43 Å²	43	64.6 Å²	64.6	28%	0.279	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-61.1	129.9	173.6	26.6	-33	0	0	0	109.1	V69 T157 M159 Y169	P67-V69 HydrophobicContact CB-CG2 4.08Å; P67-V69 HydrophobicContact CG-CG2 4.33Å; P67-V69 PolarHBondContact O-N 2.9Å; P67-T157 HydrophobicContact CG-CG2 4.2Å; P67-M159 HydrophobicContact CB-SD 3.81Å; P67-M159 HydrophobicContact CG-SD 4.22Å; P67-Y169 VanDerWaalsContact CD-CG 3.45Å; P67-Y169 HydrophobicContact CG-CD1 4.23Å; P67-Y169 HydrophobicContact CG-CG 4.23Å
68	V	74.8	Confident	84.5	Confident	148 Å²	148	68.7 Å²	68.7	90%	0.897	38%	0.384	S	S	*	.			trans	-73.3	97.2	174.7	-177.8	0	0	0	0	107.8	P66	P66-V68 PolarHBondContact O-N 2.93Å
69	V	71.2	Confident	84.6	Confident	27 Å²	27	72.4 Å²	72.4	16%	0.164	41%	0.409	C	S	.	.			trans	-114.4	108.1	175.8	-169.4	0	0	0	0	108.9	P67 Y73 F138 A140 M159	P67-V69 HydrophobicContact CB-CG2 4.08Å; P67-V69 HydrophobicContact CG-CG2 4.33Å; P67-V69 PolarHBondContact O-N 2.9Å; V69-Y73 VanDerWaalsContact CB-OH 3.27Å; V69-Y73 WeakPolarHBondContact CB-OH 3.27Å; V69-Y73 HydrophobicContact CG1-CE2 4.42Å; V69-Y73 WeakPolarHBondContact CG1-OH 3.29Å; V69-F138 HydrophobicContact CG1-CE2 3.46Å; V69-F138 VanDerWaalsContact CG1-CE2 3.46Å; V69-F138 HydrophobicContact CG1-CZ 3.7Å; V69-A140 HydrophobicContact CG1-CB 4.04Å; V69-M159 HydrophobicContact CG2-CE 3.91Å; V69-M159 HydrophobicContact CG2-SD 3.77Å
70	S	73.9	Confident	84.6	Confident	95 Å²	95	74.4 Å²	74.4	66%	0.664	42%	0.421	S	S	*	.			trans	-91.9	151.9	174.1	58.8	0	0	0	0	111.8	N133	S70-N133 PolarHBondContact O-ND2 3.49Å
71	G	77.1	Confident	84.9	Confident	38 Å²	38	78 Å²	78	39%	0.392	44%	0.435	S	S	.	.	S	Bend	trans	115.2	168.2	174.2	0	0	0	0	0	113.8	Y73	G71-Y73 WeakPolarHBondContact O-CD2 3.49Å; G71-Y73 PolarHBondContact O-N 3.36Å
72	D	84.6	Confident	85.2	Confident	137 Å²	137	82.2 Å²	82.2	73%	0.733	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-75.2	125.9	-175.4	-48.8	-55.2	0	0	0	110.9
73	Y	89.7	Confident	85.6	Confident	49 Å²	49	82.1 Å²	82.1	19%	0.192	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-89.2	135.6	169.3	-75.6	-97.2	0	0	0	109.2	V69 G71 E131 N133 A140 K142	V69-Y73 VanDerWaalsContact CB-OH 3.27Å; V69-Y73 WeakPolarHBondContact CB-OH 3.27Å; V69-Y73 HydrophobicContact CG1-CE2 4.42Å; V69-Y73 WeakPolarHBondContact CG1-OH 3.29Å; G71-Y73 WeakPolarHBondContact O-CD2 3.49Å; G71-Y73 PolarHBondContact O-N 3.36Å; Y73-E131 HydrophobicContact CD1-CB 3.84Å; Y73-E131 HydrophobicContact CG-CB 4.27Å; Y73-N133 HydrophobicContact CD1-CB 3.58Å; Y73-N133 HydrophobicContact CD2-CB 4.21Å; Y73-N133 HydrophobicContact CE1-CB 3.55Å; Y73-N133 HydrophobicContact CE2-CB 4.18Å; Y73-N133 HydrophobicContact CG-CB 3.94Å; Y73-A140 HydrophobicContact CE1-CB 4.15Å; Y73-K142 HydrophobicContact CD1-CD 4.29Å; Y73-K142 HydrophobicContact CD1-CG 4.43Å; Y73-K142 HydrophobicContact CE1-CB 4.45Å; Y73-K142 HydrophobicContact CE1-CD 3.75Å; Y73-K142 HydrophobicContact CE1-CG 3.76Å; Y73-K142 HydrophobicContact CE2-CD 4.43Å; Y73-K142 WeakPolarHBondContact OH-CE 3.22Å
74	V	91.6	Very high	86	Confident	91 Å²	91	81.9 Å²	81.9	55%	0.552	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	119.7	170.8	-176.8	0	0	0	0	107.9	I76 E131 V132	V74-I76 HydrophobicContact CG1-CD1 4.01Å; V74-E131 WeakPolarHBondContact O-CA 3.49Å; V74-V132 PolarHBondContact N-O 3Å; V74-V132 PolarHBondContact O-N 2.83Å
75	K	93.4	Very high	86.3	Confident	112 Å²	112	79.7 Å²	79.7	49%	0.487	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	131.4	172.5	-171.6	-177.3	-179.8	-148.9	0	110	E77 T129 E131	K75-E77 WeakPolarHBondContact CE-OE1 3.42Å; K75-E77 IonicContact NZ-OE1 2.78Å; K75-E77 PolarHBondContact NZ-OE1 2.94Å; K75-T129 VanDerWaalsContact CE-CB 3.49Å; K75-T129 VanDerWaalsContact CE-OG1 3.23Å; K75-T129 WeakPolarHBondContact CE-OG1 3.19Å; K75-E131 HydrophobicContact CB-CG 4.5Å
76	I	92.5	Very high	86.5	Confident	16 Å²	16	81 Å²	81	8%	0.082	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.7	178.2	-52.4	-57.6	0	0	0	108.5	V74 M78 K81 T129 F130 V132	V74-I76 HydrophobicContact CG1-CD1 4.01Å; I76-M78 HydrophobicContact CG2-CB 4.4Å; I76-K81 HydrophobicContact CD1-CD 4.05Å; I76-K81 HydrophobicContact CD1-CG 4.18Å; I76-K81 HydrophobicContact CG1-CB 4.36Å; I76-K81 HydrophobicContact CG1-CG 4.3Å; I76-K81 HydrophobicContact CG2-CB 4.03Å; I76-T129 WeakPolarHBondContact O-CA 3.45Å; I76-T129 WeakPolarHBondContact O-CB 3.36Å; I76-F130 HydrophobicContact CB-CD1 4.2Å; I76-F130 HydrophobicContact CB-CD2 4.19Å; I76-F130 HydrophobicContact CB-CE1 3.89Å; I76-F130 HydrophobicContact CB-CE2 3.89Å; I76-F130 HydrophobicContact CB-CG 4.35Å; I76-F130 HydrophobicContact CB-CZ 3.75Å; I76-F130 HydrophobicContact CG1-CD2 4.26Å; I76-F130 HydrophobicContact CG1-CE2 3.85Å; I76-F130 HydrophobicContact CG1-CZ 4.12Å; I76-F130 HydrophobicContact CG2-CD1 4.39Å; I76-F130 HydrophobicContact CG2-CE1 3.65Å; I76-F130 HydrophobicContact CG2-CE2 4.15Å; I76-F130 HydrophobicContact CG2-CZ 3.52Å; I76-F130 PolarHBondContact N-O 2.82Å; I76-F130 PolarHBondContact O-N 3.31Å; I76-V132 HydrophobicContact CG1-CG2 4.05Å
77	E	88.7	Confident	86.9	Confident	131 Å²	131	79.8 Å²	79.8	61%	0.612	44%	0.438	S	S	*	.			trans	-115.8	-5.7	178	-49.3	-169.5	154.5	0	0	112.4	K75 T129	K75-E77 WeakPolarHBondContact CE-OE1 3.42Å; K75-E77 IonicContact NZ-OE1 2.78Å; K75-E77 PolarHBondContact NZ-OE1 2.94Å; E77-T129 HydrophobicContact CB-CG2 4.13Å; E77-T129 HydrophobicContact CG-CG2 3.76Å
78	M	85	Confident	87.2	Confident	134 Å²	134	84.3 Å²	84.3	66%	0.66	46%	0.455	S	S	*	.	S	Bend	trans	-77.6	151.4	177.5	-61.7	-67.2	-90.9	0	0	110.2	I76 T80	I76-M78 HydrophobicContact CG2-CB 4.4Å; M78-T80 PolarHBondContact O-N 2.8Å
79	P	87.7	Confident	87.8	Confident	81 Å²	81	77.6 Å²	77.6	53%	0.526	41%	0.414	S	S	.	.	S	Bend	trans	-56.2	-25.7	179.3	-25.8	33.5	0	0	0	113.7	S102 N103	P79-S102 CarbonylContact O-C 3.52Å; P79-S102 VanDerWaalsContact O-CA 3.29Å; P79-S102 WeakPolarHBondContact O-CA 3.01Å; P79-N103 PolarHBondContact O-N 3.32Å; P79-N103 PolarHBondContact O-OD1 3.26Å
80	T	90.3	Very high	88.6	Confident	67 Å²	67	81 Å²	81	41%	0.411	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	141.1	-178.9	-56.6	0	0	0	0	111.8	M78 S100 I101	M78-T80 PolarHBondContact O-N 2.8Å; T80-S100 WeakPolarHBondContact CG2-OG 3.42Å; T80-I101 CarbonylContact C-O 3.46Å; T80-I101 VanDerWaalsContact CA-O 3.27Å; T80-I101 WeakPolarHBondContact CA-O 3.49Å
81	K	93	Very high	89.1	Confident	90 Å²	90	76.6 Å²	76.6	39%	0.391	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	125.6	171.3	178.1	63.7	176.4	-176.6	0	110.4	I76 V83 I101 F130	I76-K81 HydrophobicContact CD1-CD 4.05Å; I76-K81 HydrophobicContact CD1-CG 4.18Å; I76-K81 HydrophobicContact CG1-CB 4.36Å; I76-K81 HydrophobicContact CG1-CG 4.3Å; I76-K81 HydrophobicContact CG2-CB 4.03Å; K81-V83 HydrophobicContact CG-CG2 3.92Å; K81-I101 PolarHBondContact N-O 2.95Å; K81-I101 PolarHBondContact O-N 3.15Å; K81-F130 HydrophobicContact CB-CE2 4.1Å; K81-F130 HydrophobicContact CB-CZ 3.73Å
82	K	94.5	Very high	89.1	Confident	126 Å²	126	76.4 Å²	76.4	55%	0.548	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	132.3	167.3	-69.4	172.9	167.1	-113.7	0	110.1	E98 L99	K82-E98 HydrophobicContact CB-CG 4.3Å; K82-E98 WeakPolarHBondContact CD-OE2 2.88Å; K82-E98 WeakPolarHBondContact CE-OE1 3.11Å; K82-E98 HydrophobicContact CG-CG 4.46Å; K82-E98 IonicContact NZ-OE1 2.77Å; K82-E98 PolarHBondContact NZ-OE1 2.78Å; K82-E98 IonicContact NZ-OE2 2.69Å; K82-L99 CarbonylContact C-O 3.57Å; K82-L99 WeakPolarHBondContact CA-O 3.19Å
83	V	93	Very high	88.9	Confident	10 Å²	10	72.7 Å²	72.7	6%	0.061	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	119.6	177.2	-178.7	0	0	0	0	108.5	K81 P85 L99 I101 V132 D134 I139	K81-V83 HydrophobicContact CG-CG2 3.92Å; V83-P85 WeakPolarHBondContact O-CD 3.19Å; V83-L99 HydrophobicContact CB-CB 4.46Å; V83-L99 PolarHBondContact N-O 2.98Å; V83-L99 PolarHBondContact O-N 3Å; V83-I101 HydrophobicContact CB-CD1 4.38Å; V83-I101 HydrophobicContact CG2-CD1 3.61Å; V83-V132 HydrophobicContact CG2-CG1 4.32Å; V83-D134 HydrophobicContact CG1-CB 4.43Å; V83-I139 HydrophobicContact CG1-CD1 4.03Å
84	T	93.6	Very high	88.6	Confident	98 Å²	98	73.7 Å²	73.7	60%	0.601	38%	0.383	S	S	*	.			trans	-88.1	115.2	167.6	-58.8	0	0	0	0	107.7	K86	T84-K86 PolarHBondContact O-N 3.37Å
85	P	90.7	Very high	88.6	Confident	19 Å²	19	71.8 Å²	71.8	12%	0.123	37%	0.372	C	S	.	.			trans	-57.8	133.3	178.7	-22.4	33.3	0	0	0	111.4	V83 S87 F89 V96 K97 L99 I139	V83-P85 WeakPolarHBondContact O-CD 3.19Å; P85-S87 WeakPolarHBondContact CB-O 3.41Å; P85-S87 PolarHBondContact O-N 2.63Å; P85-F89 HydrophobicContact CB-CD1 4.07Å; P85-F89 HydrophobicContact CB-CE1 3.88Å; P85-F89 HydrophobicContact CG-CD1 4.16Å; P85-F89 HydrophobicContact CG-CE1 3.53Å; P85-V96 HydrophobicContact CG-CG1 4.3Å; P85-K97 WeakPolarHBondContact CD-O 2.86Å; P85-L99 HydrophobicContact CG-CG 4.49Å; P85-I139 HydrophobicContact CB-CD1 3.95Å; P85-I139 HydrophobicContact CG-CD1 4Å
86	K	89.7	Confident	88.5	Confident	123 Å²	123	66.8 Å²	66.8	54%	0.535	35%	0.351	S	S	.	.	S	Bend	trans	-65	-29.1	177.2	-71.2	176	179.9	172.3	0	113.6	T84 D134 D136	T84-K86 PolarHBondContact O-N 3.37Å; K86-D134 WeakPolarHBondContact CE-OD2 3.15Å; K86-D134 PolarHBondContact NZ-O 2.89Å; K86-D136 WeakPolarHBondContact CD-OD1 3.29Å
87	S	88.1	Confident	88.6	Confident	40 Å²	40	70.6 Å²	70.6	28%	0.28	37%	0.367	S	S	.	.	S	Bend	trans	-115.4	138.2	176.1	-66.7	0	0	0	0	110.3	P85 F89 D136	P85-S87 WeakPolarHBondContact CB-O 3.41Å; P85-S87 PolarHBondContact O-N 2.63Å; S87-F89 PolarHBondContact O-N 2.69Å; S87-D136 VanDerWaalsContact CB-O 3.29Å; S87-D136 WeakPolarHBondContact CB-O 2.97Å; S87-D136 PolarHBondContact OG-O 3.39Å
88	E	87.3	Confident	89	Confident	138 Å²	138	66.5 Å²	66.5	65%	0.645	35%	0.348	S	S	*	.			trans	-62.8	129.3	173	-168.1	-176.3	131	0	0	110.1	T95	E88-T95 HydrophobicContact CG-CG2 3.57Å; E88-T95 PolarHBondContact OE1-OG1 2.81Å
89	F	88.4	Confident	89.4	Confident	8 Å²	8	60.1 Å²	60.1	4%	0.035	32%	0.317	C	S	.	.			trans	-137	164.9	167.6	77.1	-87	0	0	0	110.3	P85 S87 V96 L99 I160 S162 M166	P85-F89 HydrophobicContact CB-CD1 4.07Å; P85-F89 HydrophobicContact CB-CE1 3.88Å; P85-F89 HydrophobicContact CG-CD1 4.16Å; P85-F89 HydrophobicContact CG-CE1 3.53Å; S87-F89 PolarHBondContact O-N 2.69Å; F89-V96 HydrophobicContact CD1-CB 4.32Å; F89-V96 HydrophobicContact CD2-CB 4.43Å; F89-V96 HydrophobicContact CD2-CG2 3.94Å; F89-V96 HydrophobicContact CE1-CB 3.88Å; F89-V96 HydrophobicContact CE1-CG1 3.92Å; F89-V96 HydrophobicContact CE1-CG2 4.25Å; F89-V96 HydrophobicContact CE2-CB 3.99Å; F89-V96 HydrophobicContact CE2-CG1 4.39Å; F89-V96 HydrophobicContact CE2-CG2 3.41Å; F89-V96 VanDerWaalsContact CE2-CG2 3.41Å; F89-V96 HydrophobicContact CZ-CB 3.68Å; F89-V96 HydrophobicContact CZ-CG1 3.67Å; F89-V96 HydrophobicContact CZ-CG2 3.59Å; F89-V96 PolarHBondContact O-N 2.87Å; F89-L99 HydrophobicContact CZ-CD2 4.38Å; F89-I160 HydrophobicContact CD2-CG2 4.24Å; F89-I160 HydrophobicContact CE1-CG2 3.99Å; F89-I160 HydrophobicContact CE2-CG2 3.72Å; F89-I160 HydrophobicContact CZ-CG2 3.59Å; F89-S162 WeakPolarHBondContact CB-O 3.4Å; F89-M166 HydrophobicContact CE2-CE 4.35Å
90	K	87.1	Confident	89.8	Confident	99 Å²	99	56.9 Å²	56.9	43%	0.43	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	141.4	-179.1	-66	-174.7	173.6	-163	0	111.4	Q94	K90-Q94 CarbonylContact C-O 3.55Å; K90-Q94 WeakPolarHBondContact CA-O 3.48Å
91	Y	85	Confident	89.9	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.008	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	117.2	172.6	-178	-105.8	0	0	0	108.4	G93 Q94 I109 I115 M166 I186 D187 L222	Y91-G93 PolarHBondContact O-N 2.85Å; Y91-G93 VanDerWaalsContact O-N 3.15Å; Y91-Q94 PolarHBondContact N-O 2.77Å; Y91-Q94 PolarHBondContact O-N 3.1Å; Y91-I109 HydrophobicContact CD1-CB 4.45Å; Y91-I109 HydrophobicContact CD1-CD1 3.9Å; Y91-I109 HydrophobicContact CD1-CG2 4.12Å; Y91-I109 HydrophobicContact CD2-CD1 3.6Å; Y91-I109 HydrophobicContact CE1-CD1 3.8Å; Y91-I109 HydrophobicContact CE2-CD1 3.45Å; Y91-I109 VanDerWaalsContact CE2-CD1 3.45Å; Y91-I109 HydrophobicContact CG-CD1 3.79Å; Y91-I109 HydrophobicContact CG-CG2 4.12Å; Y91-I115 HydrophobicContact CD1-CD1 4.13Å; Y91-I115 HydrophobicContact CD1-CG1 4.24Å; Y91-M166 HydrophobicContact CD2-CE 3.46Å; Y91-M166 VanDerWaalsContact CD2-CE 3.46Å; Y91-M166 HydrophobicContact CD2-SD 4.48Å; Y91-M166 HydrophobicContact CE2-CE 3.79Å; Y91-M166 HydrophobicContact CE2-SD 4.29Å; Y91-I186 HydrophobicContact CE2-CG2 4.23Å; Y91-I186 WeakPolarHBondContact OH-CG2 3.45Å; Y91-D187 PolarHBondContact OH-O 3.39Å; Y91-L222 HydrophobicContact CD2-CD1 4.47Å
92	Y	77.4	Confident	89.7	Confident	34 Å²	34	50.3 Å²	50.3	13%	0.133	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	43.6	-172.1	-69.8	-98	0	0	0	113.2	E55 Y56 Q94 I186 Y188 L222	E55-Y92 HydrophobicContact CB-CD1 4.01Å; E55-Y92 HydrophobicContact CB-CE1 3.54Å; E55-Y92 HydrophobicContact CG-CD1 4.25Å; E55-Y92 HydrophobicContact CG-CE1 4Å; Y56-Y92 WeakPolarHBondContact CD1-OH 3.29Å; Y92-Q94 PolarHBondContact O-N 3.13Å; Y92-I186 HydrophobicContact CE2-CG2 4.48Å; Y92-Y188 AromaticContact CD1-CD1 3.61Å; Y92-Y188 HydrophobicContact CD1-CD1 3.61Å; Y92-Y188 HydrophobicContact CD1-CD2 4.25Å; Y92-Y188 AromaticContact CD1-CE1 3.95Å; Y92-Y188 HydrophobicContact CD1-CE1 3.95Å; Y92-Y188 AromaticContact CD1-CG 3.74Å; Y92-Y188 HydrophobicContact CD1-CG 3.74Å; Y92-Y188 HydrophobicContact CD2-CD1 4.33Å; Y92-Y188 HydrophobicContact CD2-CG 4.12Å; Y92-Y188 AromaticContact CE1-CD1 3.29Å; Y92-Y188 HydrophobicContact CE1-CD1 3.29Å; Y92-Y188 AromaticContact CE1-CE1 3.6Å; Y92-Y188 HydrophobicContact CE1-CE1 3.6Å; Y92-Y188 AromaticContact CE1-CG 3.9Å; Y92-Y188 HydrophobicContact CE1-CG 3.9Å; Y92-Y188 HydrophobicContact CE2-CD1 4.08Å; Y92-Y188 HydrophobicContact CE2-CG 4.28Å; Y92-Y188 HydrophobicContact CG-CD1 4.11Å; Y92-Y188 HydrophobicContact CG-CD2 4.4Å; Y92-Y188 AromaticContact CG-CG 3.84Å; Y92-Y188 HydrophobicContact CG-CG 3.84Å; Y92-Y188 AromaticContact CZ-CD1 3.55Å; Y92-L222 HydrophobicContact CD1-CD2 4.22Å; Y92-L222 HydrophobicContact CD2-CD2 3.9Å; Y92-L222 HydrophobicContact CE1-CD2 4.21Å; Y92-L222 HydrophobicContact CE2-CD2 3.89Å; Y92-L222 HydrophobicContact CG-CD2 4.08Å
93	G	79.8	Confident	89.2	Confident	59 Å²	59	46.6 Å²	46.6	61%	0.608	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	-11	179.8	0	0	0	0	0	115.9	Y91	Y91-G93 PolarHBondContact O-N 2.85Å; Y91-G93 VanDerWaalsContact O-N 3.15Å
94	Q	84.1	Confident	88.7	Confident	69 Å²	69	49.8 Å²	49.8	32%	0.322	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	138.3	177.4	-60.1	-171.5	82.6	0	0	110.9	K90 Y91 Y92 I115	K90-Q94 CarbonylContact C-O 3.55Å; K90-Q94 WeakPolarHBondContact CA-O 3.48Å; Y91-Q94 PolarHBondContact N-O 2.77Å; Y91-Q94 PolarHBondContact O-N 3.1Å; Y92-Q94 PolarHBondContact O-N 3.13Å; Q94-I115 HydrophobicContact CB-CD1 3.85Å; Q94-I115 HydrophobicContact CB-CG2 4.43Å
95	T	90.9	Very high	88.1	Confident	52 Å²	52	45.1 Å²	45.1	32%	0.319	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	129	177.8	-66.6	0	0	0	0	110.4	E88	E88-T95 HydrophobicContact CG-CG2 3.57Å; E88-T95 PolarHBondContact OE1-OG1 2.81Å
96	V	92.4	Very high	88	Confident	7 Å²	7	44.8 Å²	44.8	4%	0.042	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-84.8	129.6	176.6	-177.7	0	0	0	0	109.8	P85 F89 L99 I109 I115	P85-V96 HydrophobicContact CG-CG1 4.3Å; F89-V96 HydrophobicContact CD1-CB 4.32Å; F89-V96 HydrophobicContact CD2-CB 4.43Å; F89-V96 HydrophobicContact CD2-CG2 3.94Å; F89-V96 HydrophobicContact CE1-CB 3.88Å; F89-V96 HydrophobicContact CE1-CG1 3.92Å; F89-V96 HydrophobicContact CE1-CG2 4.25Å; F89-V96 HydrophobicContact CE2-CB 3.99Å; F89-V96 HydrophobicContact CE2-CG1 4.39Å; F89-V96 HydrophobicContact CE2-CG2 3.41Å; F89-V96 VanDerWaalsContact CE2-CG2 3.41Å; F89-V96 HydrophobicContact CZ-CB 3.68Å; F89-V96 HydrophobicContact CZ-CG1 3.67Å; F89-V96 HydrophobicContact CZ-CG2 3.59Å; F89-V96 PolarHBondContact O-N 2.87Å; V96-L99 HydrophobicContact CG1-CD2 3.96Å; V96-L99 HydrophobicContact CG1-CG 4.44Å; V96-I109 HydrophobicContact CB-CG2 4.31Å; V96-I109 HydrophobicContact CG1-CG2 3.78Å; V96-I109 HydrophobicContact CG2-CG2 3.59Å; V96-I115 HydrophobicContact CG2-CD1 4.21Å
97	K	95	Very high	88.1	Confident	96 Å²	96	38.9 Å²	38.9	42%	0.417	22%	0.217	S	C	.	.			trans	-105.2	-36.3	176.2	-64.6	-167.6	-179.7	-175.8	0	112.8	P85 H110 G111 E112	P85-K97 WeakPolarHBondContact CD-O 2.86Å; K97-H110 PolarHBondContact N-O 2.85Å; K97-G111 WeakPolarHBondContact CD-O 3.48Å; K97-E112 WeakPolarHBondContact CE-OE1 3.32Å; K97-E112 IonicContact NZ-OE1 2.73Å; K97-E112 PolarHBondContact NZ-OE1 2.89Å; K97-E112 IonicContact NZ-OE2 3.57Å; K97-E112 PolarHBondContact NZ-OE2 3.17Å
98	E	95.6	Very high	88.3	Confident	45 Å²	45	40 Å²	40	21%	0.21	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	145.8	-176	179.7	177.1	93	0	0	110.7	K82 H110	K82-E98 HydrophobicContact CB-CG 4.3Å; K82-E98 WeakPolarHBondContact CD-OE2 2.88Å; K82-E98 WeakPolarHBondContact CE-OE1 3.11Å; K82-E98 HydrophobicContact CG-CG 4.46Å; K82-E98 IonicContact NZ-OE1 2.77Å; K82-E98 PolarHBondContact NZ-OE1 2.78Å; K82-E98 IonicContact NZ-OE2 2.69Å; E98-H110 HydrophobicContact CB-CB 4.22Å; E98-H110 PolarHBondContact N-O 3.1Å; E98-H110 VanDerWaalsContact N-O 3.14Å; E98-H110 PolarHBondContact O-N 3.33Å
99	L	94.7	Very high	88.6	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	131.2	166.5	-59.8	175.2	0	0	0	108.9	K82 V83 P85 F89 V96 I101 I107 E108 I109 I139 I160	K82-L99 CarbonylContact C-O 3.57Å; K82-L99 WeakPolarHBondContact CA-O 3.19Å; V83-L99 HydrophobicContact CB-CB 4.46Å; V83-L99 PolarHBondContact N-O 2.98Å; V83-L99 PolarHBondContact O-N 3Å; P85-L99 HydrophobicContact CG-CG 4.49Å; F89-L99 HydrophobicContact CZ-CD2 4.38Å; V96-L99 HydrophobicContact CG1-CD2 3.96Å; V96-L99 HydrophobicContact CG1-CG 4.44Å; L99-I101 HydrophobicContact CB-CG1 4.47Å; L99-I107 HydrophobicContact CB-CG2 4.34Å; L99-I107 HydrophobicContact CD2-CG2 4.25Å; L99-E108 WeakPolarHBondContact CA-O 3.31Å; L99-I109 HydrophobicContact CD2-CB 4.27Å; L99-I109 HydrophobicContact CD2-CG1 3.9Å; L99-I109 HydrophobicContact CD2-CG2 4.1Å; L99-I139 HydrophobicContact CD1-CD1 3.62Å; L99-I160 HydrophobicContact CD1-CD1 3.42Å; L99-I160 VanDerWaalsContact CD1-CD1 3.42Å; L99-I160 HydrophobicContact CD2-CD1 4.31Å
100	S	94.6	Very high	88.9	Confident	13 Å²	13	35 Å²	35	9%	0.091	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	105.6	171.4	-168.7	0	0	0	0	108.6	T80 I107 E108	T80-S100 WeakPolarHBondContact CG2-OG 3.42Å; S100-I107 CarbonylContact O-C 3.54Å; S100-I107 WeakPolarHBondContact O-CA 3.2Å; S100-E108 PolarHBondContact N-O 2.85Å; S100-E108 PolarHBondContact O-N 2.78Å
101	I	92.7	Very high	89.1	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	113.1	-175.3	-55	160.7	0	0	0	108	T80 K81 V83 L99 I107 F130 V132 I141	T80-I101 CarbonylContact C-O 3.46Å; T80-I101 VanDerWaalsContact CA-O 3.27Å; T80-I101 WeakPolarHBondContact CA-O 3.49Å; K81-I101 PolarHBondContact N-O 2.95Å; K81-I101 PolarHBondContact O-N 3.15Å; V83-I101 HydrophobicContact CB-CD1 4.38Å; V83-I101 HydrophobicContact CG2-CD1 3.61Å; L99-I101 HydrophobicContact CB-CG1 4.47Å; I101-I107 HydrophobicContact CG1-CG1 4.44Å; I101-I107 HydrophobicContact CG1-CG2 4.27Å; I101-I107 HydrophobicContact CG2-CG1 4.37Å; I101-F130 HydrophobicContact CB-CE2 4.01Å; I101-F130 HydrophobicContact CB-CZ 4.19Å; I101-F130 HydrophobicContact CG2-CD2 3.99Å; I101-F130 HydrophobicContact CG2-CE2 3.44Å; I101-F130 VanDerWaalsContact CG2-CE2 3.44Å; I101-F130 HydrophobicContact CG2-CZ 3.82Å; I101-F130 WeakPolarHBondContact O-CZ 3.43Å; I101-V132 HydrophobicContact CD1-CG2 4.25Å; I101-I141 HydrophobicContact CD1-CD1 3.47Å; I101-I141 VanDerWaalsContact CD1-CD1 3.47Å; I101-I141 HydrophobicContact CD1-CG1 3.92Å; I101-I141 HydrophobicContact CG1-CD1 3.84Å; I101-I141 HydrophobicContact CG2-CD1 4.25Å; I101-I141 HydrophobicContact CG2-CG2 4.25Å
102	S	89.1	Confident	89.2	Confident	19 Å²	19	38.2 Å²	38.2	13%	0.133	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	150.9	-178.8	69.8	0	0	0	0	112.2	P79 S104 G105 A106 R143	P79-S102 CarbonylContact O-C 3.52Å; P79-S102 VanDerWaalsContact O-CA 3.29Å; P79-S102 WeakPolarHBondContact O-CA 3.01Å; S102-S104 PolarHBondContact O-N 3.02Å; S102-S104 VanDerWaalsContact O-N 3.12Å; S102-S104 PolarHBondContact OG-OG 2.81Å; S102-G105 PolarHBondContact O-N 3.22Å; S102-A106 PolarHBondContact N-O 3.36Å; S102-A106 PolarHBondContact OG-N 2.92Å; S102-A106 PolarHBondContact OG-O 2.91Å; S102-R143 PolarHBondContact O-NH1 2.99Å; S102-R143 PolarHBondContact O-NH2 2.82Å
103	N	84.4	Confident	89.8	Confident	48 Å²	48	40.7 Å²	40.7	26%	0.257	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-20.8	174.2	66.9	-16.7	0	0	0	113.5	P79 G105 R143	P79-N103 PolarHBondContact O-N 3.32Å; P79-N103 PolarHBondContact O-OD1 3.26Å; N103-G105 VanDerWaalsContact C-N 3.28Å; N103-G105 PolarHBondContact O-N 3.09Å; N103-R143 PolarHBondContact O-NH1 3.25Å
104	S	81.9	Confident	90.2	Very high	77 Å²	77	40 Å²	40	54%	0.538	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-21.7	176.8	74	0	0	0	0	115.8	S102 A106	S102-S104 PolarHBondContact O-N 3.02Å; S102-S104 VanDerWaalsContact O-N 3.12Å; S102-S104 PolarHBondContact OG-OG 2.81Å; S104-A106 PolarHBondContact OG-N 2.86Å
105	G	82.4	Confident	90.4	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	112.1	-17.4	-172.8	0	0	0	0	0	112.5	S102 N103	S102-G105 PolarHBondContact O-N 3.22Å; N103-G105 VanDerWaalsContact C-N 3.28Å; N103-G105 PolarHBondContact O-N 3.09Å
106	A	87.9	Confident	90.2	Very high	11 Å²	11	34.5 Å²	34.5	9%	0.091	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	137.1	177.3	0	0	0	0	0	112.2	S102 S104 I118	S102-A106 PolarHBondContact N-O 3.36Å; S102-A106 PolarHBondContact OG-N 2.92Å; S102-A106 PolarHBondContact OG-O 2.91Å; S104-A106 PolarHBondContact OG-N 2.86Å; A106-I118 CarbonylContact C-O 3.55Å; A106-I118 VanDerWaalsContact CA-O 3.28Å; A106-I118 WeakPolarHBondContact CA-O 3.23Å
107	I	91.8	Very high	90	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	112.8	171.7	-55.2	168.8	0	0	0	107	L99 S100 I101 Q117 I118 I120 I141 Y158	L99-I107 HydrophobicContact CB-CG2 4.34Å; L99-I107 HydrophobicContact CD2-CG2 4.25Å; S100-I107 CarbonylContact O-C 3.54Å; S100-I107 WeakPolarHBondContact O-CA 3.2Å; I101-I107 HydrophobicContact CG1-CG1 4.44Å; I101-I107 HydrophobicContact CG1-CG2 4.27Å; I101-I107 HydrophobicContact CG2-CG1 4.37Å; I107-Q117 CarbonylContact O-C 3.52Å; I107-Q117 WeakPolarHBondContact O-CA 3.32Å; I107-I118 HydrophobicContact CB-CB 4.25Å; I107-I118 PolarHBondContact N-O 2.84Å; I107-I118 PolarHBondContact O-N 2.81Å; I107-I120 HydrophobicContact CD1-CD1 4.21Å; I107-I141 HydrophobicContact CD1-CD1 3.68Å; I107-I141 HydrophobicContact CG1-CD1 4.42Å; I107-Y158 HydrophobicContact CD1-CD1 3.27Å; I107-Y158 HydrophobicContact CD1-CE1 3.36Å; I107-Y158 HydrophobicContact CD1-CG 4.27Å
108	E	93	Very high	89.7	Confident	64 Å²	64	32.1 Å²	32.1	30%	0.299	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	140.5	171	-51.6	-179.7	149.7	0	0	110	L99 S100 H110 L114	L99-E108 WeakPolarHBondContact CA-O 3.31Å; S100-E108 PolarHBondContact N-O 2.85Å; S100-E108 PolarHBondContact O-N 2.78Å; E108-H110 WeakPolarHBondContact CB-NE2 3.36Å; E108-H110 IonicContact OE2-CE1 3.2Å; E108-H110 IonicContact OE2-NE2 2.63Å; E108-H110 PolarHBondContact OE2-NE2 3.31Å; E108-L114 HydrophobicContact CB-CD1 3.83Å
109	I	92.8	Very high	89.1	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	118.2	-177.9	-53.2	175.7	0	0	0	107.8	Y91 V96 L99 L114 I115 G116 I118 M166	Y91-I109 HydrophobicContact CD1-CB 4.45Å; Y91-I109 HydrophobicContact CD1-CD1 3.9Å; Y91-I109 HydrophobicContact CD1-CG2 4.12Å; Y91-I109 HydrophobicContact CD2-CD1 3.6Å; Y91-I109 HydrophobicContact CE1-CD1 3.8Å; Y91-I109 HydrophobicContact CE2-CD1 3.45Å; Y91-I109 VanDerWaalsContact CE2-CD1 3.45Å; Y91-I109 HydrophobicContact CG-CD1 3.79Å; Y91-I109 HydrophobicContact CG-CG2 4.12Å; V96-I109 HydrophobicContact CB-CG2 4.31Å; V96-I109 HydrophobicContact CG1-CG2 3.78Å; V96-I109 HydrophobicContact CG2-CG2 3.59Å; L99-I109 HydrophobicContact CD2-CB 4.27Å; L99-I109 HydrophobicContact CD2-CG1 3.9Å; L99-I109 HydrophobicContact CD2-CG2 4.1Å; I109-L114 WeakPolarHBondContact O-CD1 3.38Å; I109-I115 HydrophobicContact CB-CG1 4.21Å; I109-I115 HydrophobicContact CG2-CD1 3.85Å; I109-I115 HydrophobicContact CG2-CG1 3.8Å; I109-I115 WeakPolarHBondContact O-CG1 3.33Å; I109-I115 PolarHBondContact O-N 2.73Å; I109-G116 PolarHBondContact N-O 2.73Å; I109-G116 PolarHBondContact O-N 2.93Å; I109-I118 HydrophobicContact CD1-CD1 3.79Å; I109-I118 HydrophobicContact CD1-CG1 3.88Å; I109-M166 HydrophobicContact CD1-CE 4.4Å
110	H	94	Very high	88.2	Confident	41 Å²	41	31.1 Å²	31.1	19%	0.19	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126.7	-175.1	-65.1	-92.5	0	0	0	110.5	K97 E98 E108	K97-H110 PolarHBondContact N-O 2.85Å; E98-H110 HydrophobicContact CB-CB 4.22Å; E98-H110 PolarHBondContact N-O 3.1Å; E98-H110 VanDerWaalsContact N-O 3.14Å; E98-H110 PolarHBondContact O-N 3.33Å; E108-H110 WeakPolarHBondContact CB-NE2 3.36Å; E108-H110 IonicContact OE2-CE1 3.2Å; E108-H110 IonicContact OE2-NE2 2.63Å; E108-H110 PolarHBondContact OE2-NE2 3.31Å
111	G	91.2	Very high	87.3	Confident	11 Å²	11	30.6 Å²	30.6	11%	0.113	17%	0.166	C	C	.	.	S	Bend	trans	-95.1	-122.2	163.5	0	0	0	0	0	109.2	K97 D113	K97-G111 WeakPolarHBondContact CD-O 3.48Å; G111-D113 PolarHBondContact N-O 2.83Å
112	E	88.5	Confident	86.3	Confident	156 Å²	156	35.3 Å²	35.3	73%	0.729	19%	0.188	S	C	*	.	S	Bend	trans	-69.4	-37.8	162.2	-60.8	-63.1	169.3	0	0	111.6	K97	K97-E112 WeakPolarHBondContact CE-OE1 3.32Å; K97-E112 IonicContact NZ-OE1 2.73Å; K97-E112 PolarHBondContact NZ-OE1 2.89Å; K97-E112 IonicContact NZ-OE2 3.57Å; K97-E112 PolarHBondContact NZ-OE2 3.17Å
113	D	88.6	Confident	85.8	Confident	87 Å²	87	38.4 Å²	38.4	47%	0.465	20%	0.203	S	C	.	.	S	Bend	trans	-120.6	179.3	173.5	-63.6	-52.2	0	0	0	109.2	G111 I115 K191	G111-D113 PolarHBondContact N-O 2.83Å; D113-I115 WeakPolarHBondContact O-CG2 3.49Å; D113-I115 PolarHBondContact O-N 2.61Å; D113-K191 WeakPolarHBondContact OD2-CE 3.49Å; D113-K191 IonicContact OD2-NZ 3.12Å; D113-K191 PolarHBondContact OD2-NZ 2.88Å
114	L	89.5	Confident	85.9	Confident	45 Å²	45	36.5 Å²	36.5	24%	0.236	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	112.9	168.2	179.4	56.4	0	0	0	110.5	E108 I109 G116	E108-L114 HydrophobicContact CB-CD1 3.83Å; I109-L114 WeakPolarHBondContact O-CD1 3.38Å; L114-G116 VanDerWaalsContact CD1-O 3.27Å; L114-G116 WeakPolarHBondContact CD1-O 3.46Å
115	I	87.9	Confident	86.2	Confident	5 Å²	5	35.8 Å²	35.8	3%	0.026	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-10.1	-176.2	59.6	169.2	0	0	0	113.5	Y91 Q94 V96 I109 D113 Y188 R189	Y91-I115 HydrophobicContact CD1-CD1 4.13Å; Y91-I115 HydrophobicContact CD1-CG1 4.24Å; Q94-I115 HydrophobicContact CB-CD1 3.85Å; Q94-I115 HydrophobicContact CB-CG2 4.43Å; V96-I115 HydrophobicContact CG2-CD1 4.21Å; I109-I115 HydrophobicContact CB-CG1 4.21Å; I109-I115 HydrophobicContact CG2-CD1 3.85Å; I109-I115 HydrophobicContact CG2-CG1 3.8Å; I109-I115 WeakPolarHBondContact O-CG1 3.33Å; I109-I115 PolarHBondContact O-N 2.73Å; D113-I115 WeakPolarHBondContact O-CG2 3.49Å; D113-I115 PolarHBondContact O-N 2.61Å; I115-Y188 WeakPolarHBondContact O-CA 3.03Å; I115-R189 PolarHBondContact O-N 2.78Å
116	G	87.3	Confident	86.6	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.9	175.2	174	0	0	0	0	0	113.1	I109 L114 D187	I109-G116 PolarHBondContact N-O 2.73Å; I109-G116 PolarHBondContact O-N 2.93Å; L114-G116 VanDerWaalsContact CD1-O 3.27Å; L114-G116 WeakPolarHBondContact CD1-O 3.46Å; G116-D187 WeakPolarHBondContact CA-O 3.34Å
117	Q	88.2	Confident	86.7	Confident	49 Å²	49	38.9 Å²	38.9	23%	0.229	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	147.9	175.5	165.8	-178.3	91.6	0	0	109.9	I107 I186 D187	I107-Q117 CarbonylContact O-C 3.52Å; I107-Q117 WeakPolarHBondContact O-CA 3.32Å; Q117-I186 WeakPolarHBondContact O-CA 3.4Å; Q117-D187 WeakPolarHBondContact CB-OD2 3.33Å; Q117-D187 PolarHBondContact N-O 3.22Å; Q117-D187 VanDerWaalsContact N-O 3.12Å; Q117-D187 PolarHBondContact N-OD1 3.49Å; Q117-D187 VanDerWaalsContact N-OD1 3.1Å; Q117-D187 PolarHBondContact O-N 2.91Å
118	I	86.7	Confident	86.7	Confident	3 Å²	3	44.4 Å²	44.4	2%	0.015	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	116.7	172.9	-55.7	-179.5	0	0	0	105.5	A106 I107 I109 I120 Y158 M166 W185 I186	A106-I118 CarbonylContact C-O 3.55Å; A106-I118 VanDerWaalsContact CA-O 3.28Å; A106-I118 WeakPolarHBondContact CA-O 3.23Å; I107-I118 HydrophobicContact CB-CB 4.25Å; I107-I118 PolarHBondContact N-O 2.84Å; I107-I118 PolarHBondContact O-N 2.81Å; I109-I118 HydrophobicContact CD1-CD1 3.79Å; I109-I118 HydrophobicContact CD1-CG1 3.88Å; I118-I120 HydrophobicContact CG2-CD1 4.37Å; I118-I120 HydrophobicContact CG2-CG1 3.85Å; I118-Y158 HydrophobicContact CD1-CE1 4.21Å; I118-Y158 WeakPolarHBondContact CD1-OH 3.4Å; I118-M166 HydrophobicContact CD1-CE 4.24Å; I118-M166 HydrophobicContact CD1-SD 3.84Å; I118-W185 CarbonylContact C-O 3.6Å; I118-W185 WeakPolarHBondContact CA-O 3.38Å; I118-I186 HydrophobicContact CB-CD1 4.24Å; I118-I186 HydrophobicContact CB-CG1 4.12Å; I118-I186 HydrophobicContact CD1-CD1 3.85Å; I118-I186 HydrophobicContact CG1-CD1 3.76Å; I118-I186 HydrophobicContact CG1-CG1 3.9Å; I118-I186 HydrophobicContact CG1-CG2 4.33Å; I118-I186 HydrophobicContact CG2-CD1 3.74Å; I118-I186 HydrophobicContact CG2-CG1 3.79Å
119	S	83.4	Confident	86.6	Confident	18 Å²	18	42.9 Å²	42.9	13%	0.126	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	111.1	170.8	-165.6	0	0	0	0	108.9	Q122 S184 W185	S119-Q122 WeakPolarHBondContact OG-CG 3.37Å; S119-S184 CarbonylContact O-C 3.58Å; S119-S184 WeakPolarHBondContact O-CA 3.32Å; S119-W185 PolarHBondContact N-O 3.45Å; S119-W185 PolarHBondContact O-N 3.1Å
120	I	76.5	Confident	86.6	Confident	6 Å²	6	43 Å²	43	3%	0.031	22%	0.223	C	C	.	.			trans	-90.4	113	-179.9	-62.7	172.9	0	0	0	107.9	I107 I118 V156 Y158 L168	I107-I120 HydrophobicContact CD1-CD1 4.21Å; I118-I120 HydrophobicContact CG2-CD1 4.37Å; I118-I120 HydrophobicContact CG2-CG1 3.85Å; I120-V156 HydrophobicContact CG2-CG1 4.14Å; I120-Y158 HydrophobicContact CD1-CD1 4.13Å; I120-Y158 HydrophobicContact CD1-CD2 3.86Å; I120-Y158 HydrophobicContact CD1-CG 3.63Å; I120-L168 HydrophobicContact CB-CD1 4.31Å; I120-L168 HydrophobicContact CD1-CD1 4.16Å; I120-L168 HydrophobicContact CG1-CD1 3.99Å; I120-L168 HydrophobicContact CG2-CD1 3.5Å; I120-L168 VanDerWaalsContact CG2-CD1 3.5Å
121	F	75	Confident	86.5	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.009	23%	0.228	C	C	.	.			trans	54.5	73.8	173.3	-54.9	-54.8	0	0	0	114.7	N123 I124 F126 V156 L168 F170 L182 E183 S184 F209	F121-N123 PolarHBondContact O-N 3.12Å; F121-I124 HydrophobicContact CB-CB 3.89Å; F121-I124 HydrophobicContact CB-CD1 3.39Å; F121-I124 HydrophobicContact CB-CG1 3.69Å; F121-I124 HydrophobicContact CD1-CD1 4.12Å; F121-I124 HydrophobicContact CD2-CD1 3.89Å; F121-I124 HydrophobicContact CG-CD1 3.55Å; F121-I124 HydrophobicContact CG-CG1 4.38Å; F121-I124 PolarHBondContact O-N 3.14Å; F121-F126 HydrophobicContact CB-CE2 4.44Å; F121-F126 HydrophobicContact CB-CZ 4.32Å; F121-F126 HydrophobicContact CD2-CZ 4.21Å; F121-V156 HydrophobicContact CD2-CG2 4.14Å; F121-V156 HydrophobicContact CE2-CG1 4.13Å; F121-V156 HydrophobicContact CE2-CG2 3.95Å; F121-L168 HydrophobicContact CE2-CD1 4.02Å; F121-L168 HydrophobicContact CE2-CD2 3.85Å; F121-L168 HydrophobicContact CE2-CG 4.47Å; F121-L168 HydrophobicContact CZ-CD1 4.27Å; F121-L168 HydrophobicContact CZ-CD2 3.73Å; F121-F170 HydrophobicContact CD2-CD2 4.34Å; F121-F170 HydrophobicContact CD2-CE2 4.08Å; F121-F170 AromaticContact CE2-CD2 3.53Å; F121-F170 HydrophobicContact CE2-CD2 3.53Å; F121-F170 AromaticContact CE2-CE2 3.72Å; F121-F170 HydrophobicContact CE2-CE2 3.72Å; F121-F170 AromaticContact CZ-CD2 3.75Å; F121-F170 HydrophobicContact CZ-CD2 3.75Å; F121-F170 HydrophobicContact CZ-CE2 4.15Å; F121-L182 HydrophobicContact CD1-CB 4.3Å; F121-L182 HydrophobicContact CD1-CD2 4.19Å; F121-L182 HydrophobicContact CE1-CB 4Å; F121-L182 HydrophobicContact CE1-CD2 3.82Å; F121-L182 HydrophobicContact CZ-CD2 4.26Å; F121-E183 WeakPolarHBondContact CA-O 3.18Å; F121-E183 PolarHBondContact N-O 3.27Å; F121-S184 WeakPolarHBondContact CD1-OG 3.31Å; F121-S184 WeakPolarHBondContact CE1-OG 3.21Å; F121-S184 PolarHBondContact N-OG 2.78Å; F121-F209 AromaticContact CE1-CD2 3.71Å; F121-F209 HydrophobicContact CE1-CD2 3.71Å; F121-F209 AromaticContact CE1-CE2 3.54Å; F121-F209 HydrophobicContact CE1-CE2 3.54Å; F121-F209 HydrophobicContact CZ-CD2 4.34Å; F121-F209 AromaticContact CZ-CE2 3.79Å; F121-F209 HydrophobicContact CZ-CE2 3.79Å; F121-F209 HydrophobicContact CZ-CZ 4.48Å
122	Q	71.3	Confident	86.6	Confident	99 Å²	99	44.1 Å²	44.1	46%	0.463	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-29.7	-174.4	-67.2	-164.6	24.7	0	0	114.6	S119 E183	S119-Q122 WeakPolarHBondContact OG-CG 3.37Å; Q122-E183 PolarHBondContact N-O 2.85Å
123	N	80.3	Confident	86.7	Confident	85 Å²	85	36.9 Å²	36.9	46%	0.455	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	13.3	-175.4	-54.3	-34	0	0	0	112.9	F121 Y150 E180 N181	F121-N123 PolarHBondContact O-N 3.12Å; N123-Y150 PolarHBondContact O-OH 2.63Å; N123-E180 PolarHBondContact ND2-O 2.82Å; N123-N181 HydrophobicContact CB-CB 4.01Å; N123-N181 WeakPolarHBondContact CB-OD1 3.15Å
124	I	85.3	Confident	86.6	Confident	8 Å²	8	34.5 Å²	34.5	4%	0.041	18%	0.18	C	C	.	.			trans	-101.4	128.6	173.9	-62.9	179.8	0	0	0	109.7	F121 F126 V145 Y150 F170 I177 L182	F121-I124 HydrophobicContact CB-CB 3.89Å; F121-I124 HydrophobicContact CB-CD1 3.39Å; F121-I124 HydrophobicContact CB-CG1 3.69Å; F121-I124 HydrophobicContact CD1-CD1 4.12Å; F121-I124 HydrophobicContact CD2-CD1 3.89Å; F121-I124 HydrophobicContact CG-CD1 3.55Å; F121-I124 HydrophobicContact CG-CG1 4.38Å; F121-I124 PolarHBondContact O-N 3.14Å; I124-F126 HydrophobicContact CB-CE2 4.03Å; I124-F126 HydrophobicContact CB-CZ 4.05Å; I124-F126 HydrophobicContact CG2-CD1 4.35Å; I124-F126 HydrophobicContact CG2-CD2 4.41Å; I124-F126 HydrophobicContact CG2-CE1 3.93Å; I124-F126 HydrophobicContact CG2-CE2 3.99Å; I124-F126 HydrophobicContact CG2-CZ 3.73Å; I124-F126 PolarHBondContact O-N 3.09Å; I124-V145 HydrophobicContact CG2-CG1 3.99Å; I124-Y150 HydrophobicContact CG2-CE2 4.2Å; I124-F170 HydrophobicContact CD1-CE2 3.87Å; I124-F170 HydrophobicContact CD1-CZ 4.28Å; I124-I177 HydrophobicContact CD1-CD1 3.81Å; I124-I177 HydrophobicContact CD1-CG1 4.31Å; I124-I177 HydrophobicContact CD1-CG2 3.66Å; I124-I177 HydrophobicContact CG1-CD1 3.99Å; I124-I177 HydrophobicContact CG1-CG1 4.2Å; I124-I177 HydrophobicContact CG1-CG2 4.02Å; I124-I177 HydrophobicContact CG2-CD1 4.01Å; I124-L182 HydrophobicContact CD1-CD2 4.16Å
125	T	88.9	Confident	86.4	Confident	62 Å²	62	36.3 Å²	36.3	38%	0.38	19%	0.186	S	C	.	.			trans	-84.2	113.9	172.5	-45.4	0	0	0	0	109.7	L146 V149	T125-L146 HydrophobicContact CG2-CB 3.99Å; T125-L146 HydrophobicContact CG2-CD2 3.66Å; T125-L146 HydrophobicContact CG2-CG 4.48Å; T125-L146 WeakPolarHBondContact O-CB 3.35Å; T125-L146 PolarHBondContact O-N 3.18Å; T125-V149 HydrophobicContact CG2-CG2 4.27Å
126	F	90	Very high	86.2	Confident	14 Å²	14	41 Å²	41	6%	0.061	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	162.3	173.8	-65.5	-75.5	0	0	0	111.6	F121 I124 R143 K144 V145 V156	F121-F126 HydrophobicContact CB-CE2 4.44Å; F121-F126 HydrophobicContact CB-CZ 4.32Å; F121-F126 HydrophobicContact CD2-CZ 4.21Å; I124-F126 HydrophobicContact CB-CE2 4.03Å; I124-F126 HydrophobicContact CB-CZ 4.05Å; I124-F126 HydrophobicContact CG2-CD1 4.35Å; I124-F126 HydrophobicContact CG2-CD2 4.41Å; I124-F126 HydrophobicContact CG2-CE1 3.93Å; I124-F126 HydrophobicContact CG2-CE2 3.99Å; I124-F126 HydrophobicContact CG2-CZ 3.73Å; I124-F126 PolarHBondContact O-N 3.09Å; F126-R143 HydrophobicContact CD1-CB 3.75Å; F126-R143 HydrophobicContact CE1-CB 4.14Å; F126-R143 HydrophobicContact CG-CB 4.37Å; F126-K144 WeakPolarHBondContact CA-O 2.94Å; F126-K144 WeakPolarHBondContact CD1-O 3.46Å; F126-V145 HydrophobicContact CE1-CG1 4.4Å; F126-V156 HydrophobicContact CE1-CB 4.34Å; F126-V156 HydrophobicContact CE1-CG2 3.88Å; F126-V156 HydrophobicContact CZ-CG2 4.23Å
127	E	91.5	Very high	86.3	Confident	62 Å²	62	48.7 Å²	48.7	29%	0.29	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	149.8	164.2	-65.1	-176.8	168.8	0	0	110.7	T129 K144 L146	E127-T129 PolarHBondContact O-N 3.01Å; E127-T129 VanDerWaalsContact O-N 3.08Å; E127-K144 HydrophobicContact CG-CB 4.14Å; E127-K144 PolarHBondContact N-O 3.35Å; E127-L146 HydrophobicContact CG-CD1 4.3Å
128	D	90.1	Very high	86.4	Confident	116 Å²	116	48.1 Å²	48.1	62%	0.62	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	-17.3	178.1	-72.3	-41.8	0	0	0	113.2
129	T	92.1	Very high	86.6	Confident	32 Å²	32	48.2 Å²	48.2	20%	0.196	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	143.8	-179	75.1	0	0	0	0	111.7	K75 I76 E77 E127	K75-T129 VanDerWaalsContact CE-CB 3.49Å; K75-T129 VanDerWaalsContact CE-OG1 3.23Å; K75-T129 WeakPolarHBondContact CE-OG1 3.19Å; I76-T129 WeakPolarHBondContact O-CA 3.45Å; I76-T129 WeakPolarHBondContact O-CB 3.36Å; E77-T129 HydrophobicContact CB-CG2 4.13Å; E77-T129 HydrophobicContact CG-CG2 3.76Å; E127-T129 PolarHBondContact O-N 3.01Å; E127-T129 VanDerWaalsContact O-N 3.08Å
130	F	92.1	Very high	87.1	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.009	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	160.3	175.8	63.3	-84.9	0	0	0	110.6	I76 K81 I101 V132 I141 K142 R143	I76-F130 HydrophobicContact CB-CD1 4.2Å; I76-F130 HydrophobicContact CB-CD2 4.19Å; I76-F130 HydrophobicContact CB-CE1 3.89Å; I76-F130 HydrophobicContact CB-CE2 3.89Å; I76-F130 HydrophobicContact CB-CG 4.35Å; I76-F130 HydrophobicContact CB-CZ 3.75Å; I76-F130 HydrophobicContact CG1-CD2 4.26Å; I76-F130 HydrophobicContact CG1-CE2 3.85Å; I76-F130 HydrophobicContact CG1-CZ 4.12Å; I76-F130 HydrophobicContact CG2-CD1 4.39Å; I76-F130 HydrophobicContact CG2-CE1 3.65Å; I76-F130 HydrophobicContact CG2-CE2 4.15Å; I76-F130 HydrophobicContact CG2-CZ 3.52Å; I76-F130 PolarHBondContact N-O 2.82Å; I76-F130 PolarHBondContact O-N 3.31Å; K81-F130 HydrophobicContact CB-CE2 4.1Å; K81-F130 HydrophobicContact CB-CZ 3.73Å; I101-F130 HydrophobicContact CB-CE2 4.01Å; I101-F130 HydrophobicContact CB-CZ 4.19Å; I101-F130 HydrophobicContact CG2-CD2 3.99Å; I101-F130 HydrophobicContact CG2-CE2 3.44Å; I101-F130 VanDerWaalsContact CG2-CE2 3.44Å; I101-F130 HydrophobicContact CG2-CZ 3.82Å; I101-F130 WeakPolarHBondContact O-CZ 3.43Å; F130-V132 HydrophobicContact CD2-CG2 3.63Å; F130-V132 HydrophobicContact CE2-CG2 3.5Å; F130-V132 VanDerWaalsContact CE2-CG2 3.5Å; F130-I141 HydrophobicContact CD2-CG2 4.32Å; F130-K142 WeakPolarHBondContact CA-O 3.34Å; F130-K142 WeakPolarHBondContact CB-O 3.15Å; F130-R143 HydrophobicContact CB-CG 3.88Å
131	E	93.1	Very high	87.9	Confident	64 Å²	64	47.2 Å²	47.2	30%	0.299	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	133.9	-174.9	-78.4	179.9	165.9	0	0	109.9	Y73 V74 K75 I141 K142	Y73-E131 HydrophobicContact CD1-CB 3.84Å; Y73-E131 HydrophobicContact CG-CB 4.27Å; V74-E131 WeakPolarHBondContact O-CA 3.49Å; K75-E131 HydrophobicContact CB-CG 4.5Å; E131-I141 CarbonylContact O-C 3.52Å; E131-I141 VanDerWaalsContact O-CA 3.3Å; E131-I141 WeakPolarHBondContact O-CA 3.41Å; E131-K142 HydrophobicContact CB-CB 4.05Å; E131-K142 PolarHBondContact N-O 3.37Å; E131-K142 PolarHBondContact O-N 2.98Å
132	V	92.3	Very high	88.7	Confident	12 Å²	12	49.3 Å²	49.3	7%	0.073	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	132.4	179.6	-173.5	0	0	0	0	110.3	V74 I76 V83 I101 F130 I139 A140 I141	V74-V132 PolarHBondContact N-O 3Å; V74-V132 PolarHBondContact O-N 2.83Å; I76-V132 HydrophobicContact CG1-CG2 4.05Å; V83-V132 HydrophobicContact CG2-CG1 4.32Å; I101-V132 HydrophobicContact CD1-CG2 4.25Å; F130-V132 HydrophobicContact CD2-CG2 3.63Å; F130-V132 HydrophobicContact CE2-CG2 3.5Å; F130-V132 VanDerWaalsContact CE2-CG2 3.5Å; V132-I139 HydrophobicContact CG1-CG2 4.3Å; V132-A140 CarbonylContact C-O 3.59Å; V132-A140 WeakPolarHBondContact CA-O 3.3Å; V132-I141 HydrophobicContact CG2-CG1 4.46Å
133	N	90.9	Very high	89.6	Confident	3 Å²	3	45 Å²	45	2%	0.016	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	107.8	170.8	179.8	-1.7	0	0	0	108.8	S70 Y73 K135 I139 A140	S70-N133 PolarHBondContact O-ND2 3.49Å; Y73-N133 HydrophobicContact CD1-CB 3.58Å; Y73-N133 HydrophobicContact CD2-CB 4.21Å; Y73-N133 HydrophobicContact CE1-CB 3.55Å; Y73-N133 HydrophobicContact CE2-CB 4.18Å; Y73-N133 HydrophobicContact CG-CB 3.94Å; N133-K135 WeakPolarHBondContact OD1-CE 3.28Å; N133-K135 VanDerWaalsContact OD1-CG 3.29Å; N133-K135 WeakPolarHBondContact OD1-CG 3.43Å; N133-I139 CarbonylContact O-C 3.59Å; N133-I139 WeakPolarHBondContact O-CA 3.04Å; N133-A140 HydrophobicContact CB-CB 4.39Å; N133-A140 PolarHBondContact N-O 2.87Å; N133-A140 PolarHBondContact O-N 2.9Å
134	D	87.2	Confident	90.2	Very high	37 Å²	37	45.5 Å²	45.5	20%	0.198	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	107	-179.1	171	33.4	0	0	0	110.4	V83 K86	V83-D134 HydrophobicContact CG1-CB 4.43Å; K86-D134 WeakPolarHBondContact CE-OD2 3.15Å; K86-D134 PolarHBondContact NZ-O 2.89Å
135	K	85.1	Confident	90.4	Very high	83 Å²	83	45.4 Å²	45.4	36%	0.361	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	163.3	177.7	-61	-65.1	-178.3	-179.1	0	109.7	N133 K137 F138	N133-K135 WeakPolarHBondContact OD1-CE 3.28Å; N133-K135 VanDerWaalsContact OD1-CG 3.29Å; N133-K135 WeakPolarHBondContact OD1-CG 3.43Å; K135-K137 PolarHBondContact O-N 3.09Å; K135-F138 CarbonylContact C-O 3.55Å; K135-F138 HydrophobicContact CB-CZ 4.43Å; K135-F138 HydrophobicContact CG-CE2 4.44Å; K135-F138 HydrophobicContact CG-CZ 4.26Å; K135-F138 PolarHBondContact N-O 2.87Å; K135-F138 CarbonylContact O-C 3.5Å; K135-F138 PolarHBondContact O-N 3.37Å
136	D	83.8	Confident	90.6	Very high	105 Å²	105	45 Å²	45	56%	0.561	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-30.5	-176.7	-51.9	-29.4	0	0	0	113.4	K86 S87	K86-D136 WeakPolarHBondContact CD-OD1 3.29Å; S87-D136 VanDerWaalsContact CB-O 3.29Å; S87-D136 WeakPolarHBondContact CB-O 2.97Å; S87-D136 PolarHBondContact OG-O 3.39Å
137	K	88.4	Confident	90.6	Very high	160 Å²	160	50.5 Å²	50.5	70%	0.696	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-23	-177.5	-67.3	-175.8	179.3	178.6	0	114.2	K135 S162	K135-K137 PolarHBondContact O-N 3.09Å; K137-S162 PolarHBondContact O-N 2.76Å; K137-S162 PolarHBondContact O-OG 2.79Å
138	F	90.3	Very high	90.6	Very high	38 Å²	38	52.5 Å²	52.5	17%	0.167	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	156.3	-176.3	62.6	-94.6	0	0	0	112.2	V69 K135 A140 M159 I160	V69-F138 HydrophobicContact CG1-CE2 3.46Å; V69-F138 VanDerWaalsContact CG1-CE2 3.46Å; V69-F138 HydrophobicContact CG1-CZ 3.7Å; K135-F138 CarbonylContact C-O 3.55Å; K135-F138 HydrophobicContact CB-CZ 4.43Å; K135-F138 HydrophobicContact CG-CE2 4.44Å; K135-F138 HydrophobicContact CG-CZ 4.26Å; K135-F138 PolarHBondContact N-O 2.87Å; K135-F138 CarbonylContact O-C 3.5Å; K135-F138 PolarHBondContact O-N 3.37Å; F138-A140 HydrophobicContact CD2-CB 4.03Å; F138-A140 HydrophobicContact CE2-CB 4.05Å; F138-M159 HydrophobicContact CB-CE 4.43Å; F138-M159 HydrophobicContact CD1-CE 4.42Å; F138-M159 HydrophobicContact CD2-CE 3.96Å; F138-M159 HydrophobicContact CE2-CE 4.38Å; F138-M159 HydrophobicContact CG-CE 4Å; F138-I160 CarbonylContact C-O 3.47Å; F138-I160 WeakPolarHBondContact CA-O 3.35Å; F138-I160 WeakPolarHBondContact CB-O 3.47Å
139	I	92.1	Very high	90.6	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.026	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	124.8	164.9	-59.4	168.5	0	0	0	107	V83 P85 L99 V132 N133 I141 M159 I160	V83-I139 HydrophobicContact CG1-CD1 4.03Å; P85-I139 HydrophobicContact CB-CD1 3.95Å; P85-I139 HydrophobicContact CG-CD1 4Å; L99-I139 HydrophobicContact CD1-CD1 3.62Å; V132-I139 HydrophobicContact CG1-CG2 4.3Å; N133-I139 CarbonylContact O-C 3.59Å; N133-I139 WeakPolarHBondContact O-CA 3.04Å; I139-I141 HydrophobicContact CG2-CD1 4.42Å; I139-I141 HydrophobicContact CG2-CG1 4.3Å; I139-M159 CarbonylContact O-C 3.59Å; I139-M159 VanDerWaalsContact O-CA 3.25Å; I139-M159 WeakPolarHBondContact O-CA 3.35Å; I139-I160 PolarHBondContact N-O 3.26Å; I139-I160 PolarHBondContact O-N 2.81Å
140	A	92.8	Very high	90.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	135	174.4	0	0	0	0	0	110.3	V69 Y73 V132 N133 F138 Y158 M159	V69-A140 HydrophobicContact CG1-CB 4.04Å; Y73-A140 HydrophobicContact CE1-CB 4.15Å; V132-A140 CarbonylContact C-O 3.59Å; V132-A140 WeakPolarHBondContact CA-O 3.3Å; N133-A140 HydrophobicContact CB-CB 4.39Å; N133-A140 PolarHBondContact N-O 2.87Å; N133-A140 PolarHBondContact O-N 2.9Å; F138-A140 HydrophobicContact CD2-CB 4.03Å; F138-A140 HydrophobicContact CE2-CB 4.05Å; A140-Y158 CarbonylContact C-O 3.48Å; A140-Y158 VanDerWaalsContact CA-O 3.31Å; A140-Y158 WeakPolarHBondContact CA-O 3.39Å; A140-M159 HydrophobicContact CB-CG 4.19Å
141	I	92.5	Very high	90.3	Very high	3 Å²	3	53.4 Å²	53.4	2%	0.015	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	119.4	-178.9	-62.7	158	0	0	0	107.4	I101 I107 F130 E131 V132 I139 T157 Y158	I101-I141 HydrophobicContact CD1-CD1 3.47Å; I101-I141 VanDerWaalsContact CD1-CD1 3.47Å; I101-I141 HydrophobicContact CD1-CG1 3.92Å; I101-I141 HydrophobicContact CG1-CD1 3.84Å; I101-I141 HydrophobicContact CG2-CD1 4.25Å; I101-I141 HydrophobicContact CG2-CG2 4.25Å; I107-I141 HydrophobicContact CD1-CD1 3.68Å; I107-I141 HydrophobicContact CG1-CD1 4.42Å; F130-I141 HydrophobicContact CD2-CG2 4.32Å; E131-I141 CarbonylContact O-C 3.52Å; E131-I141 VanDerWaalsContact O-CA 3.3Å; E131-I141 WeakPolarHBondContact O-CA 3.41Å; V132-I141 HydrophobicContact CG2-CG1 4.46Å; I139-I141 HydrophobicContact CG2-CD1 4.42Å; I139-I141 HydrophobicContact CG2-CG1 4.3Å; I141-T157 CarbonylContact O-C 3.52Å; I141-T157 WeakPolarHBondContact O-CA 3.18Å; I141-Y158 HydrophobicContact CD1-CD1 4.08Å; I141-Y158 PolarHBondContact N-O 3.14Å; I141-Y158 PolarHBondContact O-N 2.83Å
142	K	92.4	Very high	90.1	Very high	46 Å²	46	52.9 Å²	52.9	20%	0.2	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	141	177.4	-72.7	-174.5	169.5	-165.1	0	111.4	Y73 F130 E131 E155 V156 T157	Y73-K142 HydrophobicContact CD1-CD 4.29Å; Y73-K142 HydrophobicContact CD1-CG 4.43Å; Y73-K142 HydrophobicContact CE1-CB 4.45Å; Y73-K142 HydrophobicContact CE1-CD 3.75Å; Y73-K142 HydrophobicContact CE1-CG 3.76Å; Y73-K142 HydrophobicContact CE2-CD 4.43Å; Y73-K142 WeakPolarHBondContact OH-CE 3.22Å; F130-K142 WeakPolarHBondContact CA-O 3.34Å; F130-K142 WeakPolarHBondContact CB-O 3.15Å; E131-K142 HydrophobicContact CB-CB 4.05Å; E131-K142 PolarHBondContact N-O 3.37Å; E131-K142 PolarHBondContact O-N 2.98Å; K142-E155 IonicContact NZ-OE1 3.73Å; K142-V156 CarbonylContact C-O 3.57Å; K142-V156 WeakPolarHBondContact CA-O 3.27Å; K142-T157 HydrophobicContact CG-CG2 4.07Å
143	R	90.9	Very high	89.9	Confident	9 Å²	9	59.4 Å²	59.4	3%	0.034	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	144.4	178.7	-64.4	-178	-174.5	-118.6	-2.5	110.5	S102 N103 F126 F130 E155 V156	S102-R143 PolarHBondContact O-NH1 2.99Å; S102-R143 PolarHBondContact O-NH2 2.82Å; N103-R143 PolarHBondContact O-NH1 3.25Å; F126-R143 HydrophobicContact CD1-CB 3.75Å; F126-R143 HydrophobicContact CE1-CB 4.14Å; F126-R143 HydrophobicContact CG-CB 4.37Å; F130-R143 HydrophobicContact CB-CG 3.88Å; R143-E155 CarbonylContact O-C 3.57Å; R143-E155 VanDerWaalsContact O-CA 3.26Å; R143-E155 WeakPolarHBondContact O-CA 3.35Å; R143-E155 WeakPolarHBondContact O-CG 3.5Å; R143-V156 PolarHBondContact N-O 2.9Å; R143-V156 PolarHBondContact O-N 2.87Å
144	K	91.8	Very high	89.8	Confident	95 Å²	95	59.5 Å²	59.5	41%	0.413	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	142	172.9	-66.4	177.2	-177.3	178.2	0	109.7	F126 E127 G154 E155	F126-K144 WeakPolarHBondContact CA-O 2.94Å; F126-K144 WeakPolarHBondContact CD1-O 3.46Å; E127-K144 HydrophobicContact CG-CB 4.14Å; E127-K144 PolarHBondContact N-O 3.35Å; K144-G154 CarbonylContact C-O 3.58Å; K144-G154 VanDerWaalsContact CA-O 3.31Å; K144-G154 WeakPolarHBondContact CA-O 3.46Å; K144-E155 HydrophobicContact CG-CG 4.5Å
145	V	91	Very high	89.9	Confident	6 Å²	6	59.7 Å²	59.7	4%	0.036	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	146.2	169.8	-57.6	0	0	0	0	109	I124 F126 K147 Y150 G154 F170 P174 I177	I124-V145 HydrophobicContact CG2-CG1 3.99Å; F126-V145 HydrophobicContact CE1-CG1 4.4Å; V145-K147 PolarHBondContact O-N 2.8Å; V145-Y150 HydrophobicContact CB-CD2 3.89Å; V145-Y150 HydrophobicContact CB-CG 4.38Å; V145-Y150 HydrophobicContact CG2-CD2 4.41Å; V145-Y150 HydrophobicContact CG2-CG 4.48Å; V145-G154 VanDerWaalsContact CG2-N 3.3Å; V145-G154 WeakPolarHBondContact CG2-O 3.33Å; V145-G154 PolarHBondContact N-O 3.01Å; V145-F170 HydrophobicContact CG1-CE1 4.42Å; V145-F170 HydrophobicContact CG1-CZ 4.08Å; V145-P174 HydrophobicContact CG1-CG 4.4Å; V145-P174 HydrophobicContact CG2-CG 3.88Å; V145-I177 HydrophobicContact CG1-CD1 4.19Å
146	L	91.6	Very high	90.1	Very high	53 Å²	53	55.9 Å²	55.9	28%	0.277	28%	0.283	S	S	.	.			trans	-71	113.4	-177.9	-178.6	60.5	0	0	0	110.6	T125 E127 S148 V149 Y150	T125-L146 HydrophobicContact CG2-CB 3.99Å; T125-L146 HydrophobicContact CG2-CD2 3.66Å; T125-L146 HydrophobicContact CG2-CG 4.48Å; T125-L146 WeakPolarHBondContact O-CB 3.35Å; T125-L146 PolarHBondContact O-N 3.18Å; E127-L146 HydrophobicContact CG-CD1 4.3Å; L146-S148 WeakPolarHBondContact CD2-OG 3.25Å; L146-S148 VanDerWaalsContact CG-OG 3.32Å; L146-S148 WeakPolarHBondContact CG-OG 3.34Å; L146-S148 PolarHBondContact O-N 3.37Å; L146-S148 VanDerWaalsContact O-N 3.14Å; L146-V149 HydrophobicContact CB-CG2 4.4Å; L146-V149 HydrophobicContact CD2-CG2 3.82Å; L146-V149 HydrophobicContact CG-CG2 4.22Å; L146-V149 PolarHBondContact O-N 3.07Å; L146-Y150 PolarHBondContact O-N 3.3Å
147	K	90.3	Very high	90.4	Very high	130 Å²	130	51 Å²	51	57%	0.565	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-28	-174.6	-168.1	172.1	-175.4	167	0	114.9	V145 V149 Y150	V145-K147 PolarHBondContact O-N 2.8Å; K147-V149 VanDerWaalsContact C-N 3.25Å; K147-V149 PolarHBondContact O-N 3.26Å; K147-Y150 CarbonylContact C-O 3.49Å; K147-Y150 WeakPolarHBondContact CA-O 3.28Å; K147-Y150 CarbonylContact O-C 3.49Å
148	S	91.5	Very high	90.5	Very high	104 Å²	104	43.7 Å²	43.7	73%	0.727	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-20.7	176.6	57	0	0	0	0	113.3	L146	L146-S148 WeakPolarHBondContact CD2-OG 3.25Å; L146-S148 VanDerWaalsContact CG-OG 3.32Å; L146-S148 WeakPolarHBondContact CG-OG 3.34Å; L146-S148 PolarHBondContact O-N 3.37Å; L146-S148 VanDerWaalsContact O-N 3.14Å
149	V	90	Very high	90.5	Very high	66 Å²	66	42.5 Å²	42.5	40%	0.4	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-41	176.3	-178.5	0	0	0	0	110.4	T125 L146 K147	T125-V149 HydrophobicContact CG2-CG2 4.27Å; L146-V149 HydrophobicContact CB-CG2 4.4Å; L146-V149 HydrophobicContact CD2-CG2 3.82Å; L146-V149 HydrophobicContact CG-CG2 4.22Å; L146-V149 PolarHBondContact O-N 3.07Å; K147-V149 VanDerWaalsContact C-N 3.25Å; K147-V149 PolarHBondContact O-N 3.26Å
150	Y	90.1	Very high	90.4	Very high	16 Å²	16	42.4 Å²	42.4	6%	0.063	22%	0.22	C	C	.	.			trans	-118.5	101.8	-177.6	-55.6	-72.5	0	0	0	109.4	N123 I124 V145 L146 K147 E152 P174 E176 I177	N123-Y150 PolarHBondContact O-OH 2.63Å; I124-Y150 HydrophobicContact CG2-CE2 4.2Å; V145-Y150 HydrophobicContact CB-CD2 3.89Å; V145-Y150 HydrophobicContact CB-CG 4.38Å; V145-Y150 HydrophobicContact CG2-CD2 4.41Å; V145-Y150 HydrophobicContact CG2-CG 4.48Å; L146-Y150 PolarHBondContact O-N 3.3Å; K147-Y150 CarbonylContact C-O 3.49Å; K147-Y150 WeakPolarHBondContact CA-O 3.28Å; K147-Y150 CarbonylContact O-C 3.49Å; Y150-E152 PolarHBondContact O-N 3.07Å; Y150-P174 HydrophobicContact CD1-CB 4.11Å; Y150-P174 HydrophobicContact CG-CB 4.32Å; Y150-P174 HydrophobicContact CG-CG 4.33Å; Y150-E176 HydrophobicContact CD1-CB 4.03Å; Y150-E176 HydrophobicContact CE1-CB 4.24Å; Y150-I177 HydrophobicContact CD1-CD1 3.89Å; Y150-I177 HydrophobicContact CD1-CG1 3.74Å; Y150-I177 HydrophobicContact CD2-CD1 4.47Å; Y150-I177 HydrophobicContact CE1-CD1 3.8Å; Y150-I177 HydrophobicContact CE1-CG1 3.33Å; Y150-I177 HydrophobicContact CE2-CD1 4.38Å; Y150-I177 HydrophobicContact CG-CD1 4.23Å
151	P	87.6	Confident	90.3	Very high	87 Å²	87	45 Å²	45	57%	0.565	23%	0.232	S	C	*	.	S	Bend	trans	-61.7	-30.9	-176.6	-24.2	34.2	0	0	0	113.5
152	E	88.8	Confident	90.1	Very high	53 Å²	53	47 Å²	47	25%	0.248	25%	0.246	C	C	.	.	S	Bend	trans	-77.5	139.3	174.8	-62.7	-174.2	170.4	0	0	110.8	Y150 G154 P174 K175	Y150-E152 PolarHBondContact O-N 3.07Å; E152-G154 PolarHBondContact O-N 3.37Å; E152-P174 HydrophobicContact CB-CB 4.11Å; E152-P174 HydrophobicContact CB-CG 4.43Å; E152-K175 WeakPolarHBondContact OE1-CD 3.34Å; E152-K175 WeakPolarHBondContact OE1-CE 3.46Å; E152-K175 IonicContact OE1-NZ 2.72Å; E152-K175 PolarHBondContact OE1-NZ 2.76Å; E152-K175 PolarHBondContact OE2-N 3.45Å
153	E	88.6	Confident	89.8	Confident	149 Å²	149	49.9 Å²	49.9	70%	0.696	26%	0.264	S	S	*	.			trans	-67.6	131	176.4	-65.2	-173.9	173.7	0	0	110.4	N172	E153-N172 WeakPolarHBondContact O-CB 3.15Å; E153-N172 PolarHBondContact O-ND2 2.81Å
154	G	88.8	Confident	89.4	Confident	5 Å²	5	49.8 Å²	49.8	5%	0.052	27%	0.265	C	S	.	.			trans	-136.5	135.5	174.3	0	0	0	0	0	110.7	K144 V145 E152 N172	K144-G154 CarbonylContact C-O 3.58Å; K144-G154 VanDerWaalsContact CA-O 3.31Å; K144-G154 WeakPolarHBondContact CA-O 3.46Å; V145-G154 VanDerWaalsContact CG2-N 3.3Å; V145-G154 WeakPolarHBondContact CG2-O 3.33Å; V145-G154 PolarHBondContact N-O 3.01Å; E152-G154 PolarHBondContact O-N 3.37Å; G154-N172 WeakPolarHBondContact CA-O 3.23Å
155	E	90.2	Very high	89.2	Confident	41 Å²	41	50.1 Å²	50.1	19%	0.192	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	133.4	177.9	-175.9	-179.2	91.3	0	0	110	K142 R143 K144 F170 N171	K142-E155 IonicContact NZ-OE1 3.73Å; R143-E155 CarbonylContact O-C 3.57Å; R143-E155 VanDerWaalsContact O-CA 3.26Å; R143-E155 WeakPolarHBondContact O-CA 3.35Å; R143-E155 WeakPolarHBondContact O-CG 3.5Å; K144-E155 HydrophobicContact CG-CG 4.5Å; E155-F170 VanDerWaalsContact O-CD1 3.32Å; E155-F170 WeakPolarHBondContact O-CD1 3.1Å; E155-N171 HydrophobicContact CB-CB 4.33Å; E155-N171 PolarHBondContact O-N 2.86Å
156	V	89	Confident	89.1	Confident	3 Å²	3	50 Å²	50	2%	0.018	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126.9	173.1	-177	0	0	0	0	108.6	I120 F121 F126 K142 R143 L168 Y169 F170	I120-V156 HydrophobicContact CG2-CG1 4.14Å; F121-V156 HydrophobicContact CD2-CG2 4.14Å; F121-V156 HydrophobicContact CE2-CG1 4.13Å; F121-V156 HydrophobicContact CE2-CG2 3.95Å; F126-V156 HydrophobicContact CE1-CB 4.34Å; F126-V156 HydrophobicContact CE1-CG2 3.88Å; F126-V156 HydrophobicContact CZ-CG2 4.23Å; K142-V156 CarbonylContact C-O 3.57Å; K142-V156 WeakPolarHBondContact CA-O 3.27Å; R143-V156 PolarHBondContact N-O 2.9Å; R143-V156 PolarHBondContact O-N 2.87Å; V156-L168 HydrophobicContact CG1-CD1 4.32Å; V156-L168 HydrophobicContact CG1-CD2 4.4Å; V156-L168 HydrophobicContact CG1-CG 4.07Å; V156-Y169 CarbonylContact C-O 3.49Å; V156-Y169 WeakPolarHBondContact CA-O 3.25Å; V156-F170 HydrophobicContact CG2-CD1 3.93Å; V156-F170 HydrophobicContact CG2-CD2 3.67Å; V156-F170 HydrophobicContact CG2-CE1 3.81Å; V156-F170 HydrophobicContact CG2-CE2 3.58Å; V156-F170 HydrophobicContact CG2-CG 3.86Å; V156-F170 HydrophobicContact CG2-CZ 3.65Å
157	T	90.5	Very high	88.9	Confident	3 Å²	3	48 Å²	48	2%	0.018	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	122	170.8	-58.1	0	0	0	0	109	P67 I141 K142 M159 L168 Y169	P67-T157 HydrophobicContact CG-CG2 4.2Å; I141-T157 CarbonylContact O-C 3.52Å; I141-T157 WeakPolarHBondContact O-CA 3.18Å; K142-T157 HydrophobicContact CG-CG2 4.07Å; T157-M159 HydrophobicContact CG2-CG 4.17Å; T157-L168 CarbonylContact O-C 3.53Å; T157-Y169 PolarHBondContact N-O 2.93Å; T157-Y169 PolarHBondContact O-N 2.6Å
158	Y	89.4	Confident	88.8	Confident	5 Å²	5	42 Å²	42	2%	0.02	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	134.5	173.3	179.3	-113	0	0	0	110	I107 I118 I120 A140 I141 I160 M166 S167 L168	I107-Y158 HydrophobicContact CD1-CD1 3.27Å; I107-Y158 HydrophobicContact CD1-CE1 3.36Å; I107-Y158 HydrophobicContact CD1-CG 4.27Å; I118-Y158 HydrophobicContact CD1-CE1 4.21Å; I118-Y158 WeakPolarHBondContact CD1-OH 3.4Å; I120-Y158 HydrophobicContact CD1-CD1 4.13Å; I120-Y158 HydrophobicContact CD1-CD2 3.86Å; I120-Y158 HydrophobicContact CD1-CG 3.63Å; A140-Y158 CarbonylContact C-O 3.48Å; A140-Y158 VanDerWaalsContact CA-O 3.31Å; A140-Y158 WeakPolarHBondContact CA-O 3.39Å; I141-Y158 HydrophobicContact CD1-CD1 4.08Å; I141-Y158 PolarHBondContact N-O 3.14Å; I141-Y158 PolarHBondContact O-N 2.83Å; Y158-I160 HydrophobicContact CD1-CG1 4.26Å; Y158-I160 HydrophobicContact CE1-CD1 3.58Å; Y158-I160 HydrophobicContact CE1-CG1 3.33Å; Y158-I160 WeakPolarHBondContact OH-CG1 3.44Å; Y158-M166 HydrophobicContact CE2-CB 4.12Å; Y158-M166 WeakPolarHBondContact OH-CB 3.13Å; Y158-M166 WeakPolarHBondContact OH-CG 3.28Å; Y158-M166 PolarHBondContact OH-SD 3.36Å; Y158-S167 CarbonylContact C-O 3.56Å; Y158-S167 WeakPolarHBondContact CA-O 3.06Å; Y158-S167 WeakPolarHBondContact CD2-O 3.26Å; Y158-L168 HydrophobicContact CD2-CB 4.24Å
159	M	90.6	Very high	88.7	Confident	14 Å²	14	37.3 Å²	37.3	7%	0.069	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	132.3	178.9	-53.3	175.7	60.4	0	0	111.2	P67 V69 F138 I139 A140 T157 M166 S167	P67-M159 HydrophobicContact CB-SD 3.81Å; P67-M159 HydrophobicContact CG-SD 4.22Å; V69-M159 HydrophobicContact CG2-CE 3.91Å; V69-M159 HydrophobicContact CG2-SD 3.77Å; F138-M159 HydrophobicContact CB-CE 4.43Å; F138-M159 HydrophobicContact CD1-CE 4.42Å; F138-M159 HydrophobicContact CD2-CE 3.96Å; F138-M159 HydrophobicContact CE2-CE 4.38Å; F138-M159 HydrophobicContact CG-CE 4Å; I139-M159 CarbonylContact O-C 3.59Å; I139-M159 VanDerWaalsContact O-CA 3.25Å; I139-M159 WeakPolarHBondContact O-CA 3.35Å; A140-M159 HydrophobicContact CB-CG 4.19Å; T157-M159 HydrophobicContact CG2-CG 4.17Å; M159-M166 CarbonylContact O-C 3.5Å; M159-M166 VanDerWaalsContact O-CA 3.3Å; M159-M166 WeakPolarHBondContact O-CA 3.48Å; M159-S167 WeakPolarHBondContact CB-OG 3.08Å; M159-S167 PolarHBondContact N-O 2.98Å; M159-S167 PolarHBondContact O-N 2.86Å
160	I	90.8	Very high	88.6	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	115.7	168.7	-60.1	165.3	0	0	0	107.4	F89 L99 F138 I139 Y158 M166	F89-I160 HydrophobicContact CD2-CG2 4.24Å; F89-I160 HydrophobicContact CE1-CG2 3.99Å; F89-I160 HydrophobicContact CE2-CG2 3.72Å; F89-I160 HydrophobicContact CZ-CG2 3.59Å; L99-I160 HydrophobicContact CD1-CD1 3.42Å; L99-I160 VanDerWaalsContact CD1-CD1 3.42Å; L99-I160 HydrophobicContact CD2-CD1 4.31Å; F138-I160 CarbonylContact C-O 3.47Å; F138-I160 WeakPolarHBondContact CA-O 3.35Å; F138-I160 WeakPolarHBondContact CB-O 3.47Å; I139-I160 PolarHBondContact N-O 3.26Å; I139-I160 PolarHBondContact O-N 2.81Å; Y158-I160 HydrophobicContact CD1-CG1 4.26Å; Y158-I160 HydrophobicContact CE1-CD1 3.58Å; Y158-I160 HydrophobicContact CE1-CG1 3.33Å; Y158-I160 WeakPolarHBondContact OH-CG1 3.44Å; I160-M166 HydrophobicContact CG1-CG 4.42Å; I160-M166 HydrophobicContact CG2-CE 4.47Å
161	H	90	Very high	88.3	Confident	55 Å²	55	36.2 Å²	36.2	26%	0.255	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	148.3	175.7	-65.9	-89.1	0	0	0	110.9	N163 G164 K165	H161-N163 WeakPolarHBondContact CB-OD1 3.4Å; H161-N163 PolarHBondContact O-N 3.31Å; H161-N163 VanDerWaalsContact O-N 3.09Å; H161-G164 PolarHBondContact O-N 3.05Å; H161-K165 HydrophobicContact CB-CB 4.32Å; H161-K165 WeakPolarHBondContact CB-O 3.32Å; H161-K165 PolarHBondContact N-O 3.36Å
162	S	87.5	Confident	88.2	Confident	45 Å²	45	34.7 Å²	34.7	32%	0.315	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.4	178.1	58.8	0	0	0	0	114	F89 K137 G164	F89-S162 WeakPolarHBondContact CB-O 3.4Å; K137-S162 PolarHBondContact O-N 2.76Å; K137-S162 PolarHBondContact O-OG 2.79Å; S162-G164 PolarHBondContact O-N 2.78Å
163	N	86.3	Confident	88	Confident	107 Å²	107	32.9 Å²	32.9	57%	0.572	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	4.9	171.7	66.6	7.3	0	0	0	113.8	H161 K165	H161-N163 WeakPolarHBondContact CB-OD1 3.4Å; H161-N163 PolarHBondContact O-N 3.31Å; H161-N163 VanDerWaalsContact O-N 3.09Å; N163-K165 VanDerWaalsContact C-N 3.3Å; N163-K165 PolarHBondContact O-N 2.84Å; N163-K165 VanDerWaalsContact OD1-CB 3.28Å; N163-K165 WeakPolarHBondContact OD1-CB 3.34Å; N163-K165 WeakPolarHBondContact OD1-CG 3.47Å; N163-K165 PolarHBondContact OD1-N 2.84Å
164	G	83.6	Confident	87.8	Confident	6 Å²	6	25.8 Å²	25.8	6%	0.062	14%	0.136	C	C	.	.	S	Bend	trans	82.9	-0.5	-179.1	0	0	0	0	0	114.5	H161 S162	H161-G164 PolarHBondContact O-N 3.05Å; S162-G164 PolarHBondContact O-N 2.78Å
165	K	87.8	Confident	87.6	Confident	102 Å²	102	32.7 Å²	32.7	44%	0.443	16%	0.164	S	C	.	.			trans	-73.4	142.4	171.5	-65.1	-175.5	-179.3	-175.2	0	110.3	H161 N163 W220	H161-K165 HydrophobicContact CB-CB 4.32Å; H161-K165 WeakPolarHBondContact CB-O 3.32Å; H161-K165 PolarHBondContact N-O 3.36Å; N163-K165 VanDerWaalsContact C-N 3.3Å; N163-K165 PolarHBondContact O-N 2.84Å; N163-K165 VanDerWaalsContact OD1-CB 3.28Å; N163-K165 WeakPolarHBondContact OD1-CB 3.34Å; N163-K165 WeakPolarHBondContact OD1-CG 3.47Å; N163-K165 PolarHBondContact OD1-N 2.84Å; K165-W220 WeakPolarHBondContact CA-O 3.23Å; K165-W220 WeakPolarHBondContact CB-O 3.36Å
166	M	88.4	Confident	87.3	Confident	5 Å²	5	35 Å²	35	3%	0.025	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	143.7	177.2	-58.8	171.1	171.5	0	0	109	F89 Y91 I109 I118 Y158 M159 I160 W220	F89-M166 HydrophobicContact CE2-CE 4.35Å; Y91-M166 HydrophobicContact CD2-CE 3.46Å; Y91-M166 VanDerWaalsContact CD2-CE 3.46Å; Y91-M166 HydrophobicContact CD2-SD 4.48Å; Y91-M166 HydrophobicContact CE2-CE 3.79Å; Y91-M166 HydrophobicContact CE2-SD 4.29Å; I109-M166 HydrophobicContact CD1-CE 4.4Å; I118-M166 HydrophobicContact CD1-CE 4.24Å; I118-M166 HydrophobicContact CD1-SD 3.84Å; Y158-M166 HydrophobicContact CE2-CB 4.12Å; Y158-M166 WeakPolarHBondContact OH-CB 3.13Å; Y158-M166 WeakPolarHBondContact OH-CG 3.28Å; Y158-M166 PolarHBondContact OH-SD 3.36Å; M159-M166 CarbonylContact O-C 3.5Å; M159-M166 VanDerWaalsContact O-CA 3.3Å; M159-M166 WeakPolarHBondContact O-CA 3.48Å; I160-M166 HydrophobicContact CG1-CG 4.42Å; I160-M166 HydrophobicContact CG2-CE 4.47Å; M166-W220 HydrophobicContact CB-CB 4.02Å; M166-W220 HydrophobicContact CB-CG 4.25Å; M166-W220 PolarHBondContact N-O 3.26Å; M166-W220 WeakPolarHBondContact O-CB 3.33Å; M166-W220 PolarHBondContact O-N 3.08Å
167	S	88.1	Confident	86.8	Confident	9 Å²	9	34.8 Å²	34.8	6%	0.063	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	145.2	174	72.3	0	0	0	0	112.6	Y158 M159 L218	Y158-S167 CarbonylContact C-O 3.56Å; Y158-S167 WeakPolarHBondContact CA-O 3.06Å; Y158-S167 WeakPolarHBondContact CD2-O 3.26Å; M159-S167 WeakPolarHBondContact CB-OG 3.08Å; M159-S167 PolarHBondContact N-O 2.98Å; M159-S167 PolarHBondContact O-N 2.86Å; S167-L218 CarbonylContact C-O 3.59Å; S167-L218 WeakPolarHBondContact CA-O 3.45Å; S167-L218 VanDerWaalsContact CB-O 3.25Å; S167-L218 WeakPolarHBondContact CB-O 3.49Å
168	L	88.1	Confident	86.2	Confident	6 Å²	6	38 Å²	38	3%	0.031	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	124.5	174.3	179.6	150.9	0	0	0	107.6	I120 F121 V156 T157 Y158 F209 V217 L218	I120-L168 HydrophobicContact CB-CD1 4.31Å; I120-L168 HydrophobicContact CD1-CD1 4.16Å; I120-L168 HydrophobicContact CG1-CD1 3.99Å; I120-L168 HydrophobicContact CG2-CD1 3.5Å; I120-L168 VanDerWaalsContact CG2-CD1 3.5Å; F121-L168 HydrophobicContact CE2-CD1 4.02Å; F121-L168 HydrophobicContact CE2-CD2 3.85Å; F121-L168 HydrophobicContact CE2-CG 4.47Å; F121-L168 HydrophobicContact CZ-CD1 4.27Å; F121-L168 HydrophobicContact CZ-CD2 3.73Å; V156-L168 HydrophobicContact CG1-CD1 4.32Å; V156-L168 HydrophobicContact CG1-CD2 4.4Å; V156-L168 HydrophobicContact CG1-CG 4.07Å; T157-L168 CarbonylContact O-C 3.53Å; Y158-L168 HydrophobicContact CD2-CB 4.24Å; L168-F209 HydrophobicContact CD2-CZ 4.43Å; L168-V217 CarbonylContact O-C 3.51Å; L168-V217 VanDerWaalsContact O-CA 3.26Å; L168-V217 WeakPolarHBondContact O-CA 3.36Å; L168-L218 HydrophobicContact CB-CB 4.17Å; L168-L218 HydrophobicContact CB-CD1 4.33Å; L168-L218 PolarHBondContact N-O 3.17Å; L168-L218 PolarHBondContact O-N 3.04Å
169	Y	88.4	Confident	85.1	Confident	4 Å²	4	38.8 Å²	38.8	2%	0.016	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.8	176.9	176.8	-105.5	0	0	0	110.5	Q64 P66 P67 V156 T157 N171 K215 V216 V217	Q64-Y169 PolarHBondContact O-OH 2.92Å; P66-Y169 VanDerWaalsContact CA-CZ 3.45Å; P66-Y169 HydrophobicContact CB-CE1 3.81Å; P66-Y169 HydrophobicContact CG-CE1 4.17Å; P66-Y169 WeakPolarHBondContact CG-OH 3.42Å; P67-Y169 VanDerWaalsContact CD-CG 3.45Å; P67-Y169 HydrophobicContact CG-CD1 4.23Å; P67-Y169 HydrophobicContact CG-CG 4.23Å; V156-Y169 CarbonylContact C-O 3.49Å; V156-Y169 WeakPolarHBondContact CA-O 3.25Å; T157-Y169 PolarHBondContact N-O 2.93Å; T157-Y169 PolarHBondContact O-N 2.6Å; Y169-N171 HydrophobicContact CD1-CB 4.3Å; Y169-N171 VanDerWaalsContact CE1-CA 3.42Å; Y169-N171 HydrophobicContact CE1-CB 3.53Å; Y169-N171 PolarHBondContact OH-OD1 2.68Å; Y169-K215 HydrophobicContact CE2-CB 4.23Å; Y169-K215 WeakPolarHBondContact OH-CD 3.27Å; Y169-V216 CarbonylContact C-O 3.52Å; Y169-V216 VanDerWaalsContact CA-O 3.23Å; Y169-V216 WeakPolarHBondContact CA-O 3.5Å; Y169-V217 HydrophobicContact CD2-CG2 3.51Å; Y169-V217 HydrophobicContact CE2-CG2 4.19Å; Y169-V217 HydrophobicContact CG-CG2 4.48Å
170	F	87.3	Confident	84.1	Confident	1 Å²	1	44.7 Å²	44.7	0%	0.004	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	120.8	168.8	-143.5	-43.6	0	0	0	108.6	F121 I124 V145 E155 V156 N172 I173 I177 L182 K215 V216	F121-F170 HydrophobicContact CD2-CD2 4.34Å; F121-F170 HydrophobicContact CD2-CE2 4.08Å; F121-F170 AromaticContact CE2-CD2 3.53Å; F121-F170 HydrophobicContact CE2-CD2 3.53Å; F121-F170 AromaticContact CE2-CE2 3.72Å; F121-F170 HydrophobicContact CE2-CE2 3.72Å; F121-F170 AromaticContact CZ-CD2 3.75Å; F121-F170 HydrophobicContact CZ-CD2 3.75Å; F121-F170 HydrophobicContact CZ-CE2 4.15Å; I124-F170 HydrophobicContact CD1-CE2 3.87Å; I124-F170 HydrophobicContact CD1-CZ 4.28Å; V145-F170 HydrophobicContact CG1-CE1 4.42Å; V145-F170 HydrophobicContact CG1-CZ 4.08Å; E155-F170 VanDerWaalsContact O-CD1 3.32Å; E155-F170 WeakPolarHBondContact O-CD1 3.1Å; V156-F170 HydrophobicContact CG2-CD1 3.93Å; V156-F170 HydrophobicContact CG2-CD2 3.67Å; V156-F170 HydrophobicContact CG2-CE1 3.81Å; V156-F170 HydrophobicContact CG2-CE2 3.58Å; V156-F170 HydrophobicContact CG2-CG 3.86Å; V156-F170 HydrophobicContact CG2-CZ 3.65Å; F170-N172 WeakPolarHBondContact CD1-O 3.41Å; F170-N172 WeakPolarHBondContact CE1-O 3.29Å; F170-I173 HydrophobicContact CB-CD1 4.35Å; F170-I173 HydrophobicContact CB-CG1 4.05Å; F170-I173 HydrophobicContact CD1-CG1 3.77Å; F170-I173 HydrophobicContact CD2-CD1 4Å; F170-I173 HydrophobicContact CD2-CG1 3.73Å; F170-I173 HydrophobicContact CE1-CG1 4.15Å; F170-I173 HydrophobicContact CE2-CG1 4.08Å; F170-I173 HydrophobicContact CG-CD1 4.15Å; F170-I173 HydrophobicContact CG-CG1 3.57Å; F170-I173 HydrophobicContact CZ-CG1 4.27Å; F170-I177 HydrophobicContact CZ-CD1 4.43Å; F170-L182 HydrophobicContact CD2-CD2 4.3Å; F170-L182 HydrophobicContact CE2-CD2 4.02Å; F170-K215 VanDerWaalsContact O-CA 3.3Å; F170-K215 WeakPolarHBondContact O-CA 3.07Å; F170-V216 PolarHBondContact N-O 3.22Å; F170-V216 PolarHBondContact O-N 2.95Å
171	N	85.1	Confident	83.2	Confident	58 Å²	58	46.1 Å²	46.1	31%	0.31	24%	0.238	S	C	.	.	S	Bend	trans	-80.6	-34.2	-175.8	-168.5	43	0	0	0	114.3	E155 Y169 S214 K215	E155-N171 HydrophobicContact CB-CB 4.33Å; E155-N171 PolarHBondContact O-N 2.86Å; Y169-N171 HydrophobicContact CD1-CB 4.3Å; Y169-N171 VanDerWaalsContact CE1-CA 3.42Å; Y169-N171 HydrophobicContact CE1-CB 3.53Å; Y169-N171 PolarHBondContact OH-OD1 2.68Å; N171-S214 CarbonylContact C-O 3.52Å; N171-K215 WeakPolarHBondContact O-CE 3.3Å; N171-K215 WeakPolarHBondContact O-CG 3.5Å
172	N	84.2	Confident	82.5	Confident	56 Å²	56	43.6 Å²	43.6	30%	0.299	23%	0.227	S	C	.	.			trans	-155.2	125.9	172.4	-176.5	44	0	0	0	108	E153 G154 F170 P174 S214	E153-N172 WeakPolarHBondContact O-CB 3.15Å; E153-N172 PolarHBondContact O-ND2 2.81Å; G154-N172 WeakPolarHBondContact CA-O 3.23Å; F170-N172 WeakPolarHBondContact CD1-O 3.41Å; F170-N172 WeakPolarHBondContact CE1-O 3.29Å; N172-P174 WeakPolarHBondContact O-CD 3.47Å; N172-S214 WeakPolarHBondContact CA-O 3.35Å
173	I	84.3	Confident	81.9	Confident	15 Å²	15	42.5 Å²	42.5	8%	0.077	22%	0.217	C	C	.	.			trans	-94.8	114.6	176.5	-55.1	-173.6	0	0	0	108	F170 K175 I177 L182 L213 V216	F170-I173 HydrophobicContact CB-CD1 4.35Å; F170-I173 HydrophobicContact CB-CG1 4.05Å; F170-I173 HydrophobicContact CD1-CG1 3.77Å; F170-I173 HydrophobicContact CD2-CD1 4Å; F170-I173 HydrophobicContact CD2-CG1 3.73Å; F170-I173 HydrophobicContact CE1-CG1 4.15Å; F170-I173 HydrophobicContact CE2-CG1 4.08Å; F170-I173 HydrophobicContact CG-CD1 4.15Å; F170-I173 HydrophobicContact CG-CG1 3.57Å; F170-I173 HydrophobicContact CZ-CG1 4.27Å; I173-K175 PolarHBondContact O-N 3.33Å; I173-I177 HydrophobicContact CG2-CB 3.84Å; I173-I177 HydrophobicContact CG2-CG2 3.87Å; I173-L182 HydrophobicContact CD1-CD1 3.86Å; I173-L182 HydrophobicContact CD1-CD2 3.91Å; I173-L182 HydrophobicContact CG2-CD1 4.37Å; I173-L182 HydrophobicContact CG2-CD2 4.01Å; I173-L213 WeakPolarHBondContact CD1-O 3.07Å; I173-L213 WeakPolarHBondContact CG1-O 3.39Å; I173-V216 HydrophobicContact CD1-CG2 4.24Å
174	P	86.3	Confident	81.4	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.191	C	C	.	.			trans	-51	138.9	171.4	-27.8	33.1	0	0	0	112	V145 Y150 E152 N172 E176 I177	V145-P174 HydrophobicContact CG1-CG 4.4Å; V145-P174 HydrophobicContact CG2-CG 3.88Å; Y150-P174 HydrophobicContact CD1-CB 4.11Å; Y150-P174 HydrophobicContact CG-CB 4.32Å; Y150-P174 HydrophobicContact CG-CG 4.33Å; E152-P174 HydrophobicContact CB-CB 4.11Å; E152-P174 HydrophobicContact CB-CG 4.43Å; N172-P174 WeakPolarHBondContact O-CD 3.47Å; P174-E176 WeakPolarHBondContact CB-OE2 3.41Å; P174-E176 PolarHBondContact O-N 2.73Å; P174-E176 VanDerWaalsContact O-N 3.1Å; P174-I177 HydrophobicContact CB-CD1 4.06Å; P174-I177 HydrophobicContact CB-CG1 4.41Å; P174-I177 HydrophobicContact CG-CD1 3.81Å; P174-I177 WeakPolarHBondContact O-CB 3.37Å; P174-I177 PolarHBondContact O-N 3.5Å
175	K	83.7	Confident	81.1	Confident	149 Å²	149	40.5 Å²	40.5	65%	0.648	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-26.2	-177.3	-70.3	172.9	-169.1	135.5	0	114.3	E152 I173 I177	E152-K175 WeakPolarHBondContact OE1-CD 3.34Å; E152-K175 WeakPolarHBondContact OE1-CE 3.46Å; E152-K175 IonicContact OE1-NZ 2.72Å; E152-K175 PolarHBondContact OE1-NZ 2.76Å; E152-K175 PolarHBondContact OE2-N 3.45Å; I173-K175 PolarHBondContact O-N 3.33Å; K175-I177 PolarHBondContact O-N 2.73Å
176	E	83.2	Confident	80.8	Confident	89 Å²	89	35.8 Å²	35.8	42%	0.416	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-19.5	177.3	-56.7	79.6	-174.9	0	0	112.3	Y150 P174 V178	Y150-E176 HydrophobicContact CD1-CB 4.03Å; Y150-E176 HydrophobicContact CE1-CB 4.24Å; P174-E176 WeakPolarHBondContact CB-OE2 3.41Å; P174-E176 PolarHBondContact O-N 2.73Å; P174-E176 VanDerWaalsContact O-N 3.1Å; E176-V178 PolarHBondContact O-N 3.01Å
177	I	80.2	Confident	80.2	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.			trans	-85.2	97.7	175.2	-64.6	165	0	0	0	108.4	I124 V145 Y150 F170 I173 P174 K175 N181 L182	I124-I177 HydrophobicContact CD1-CD1 3.81Å; I124-I177 HydrophobicContact CD1-CG1 4.31Å; I124-I177 HydrophobicContact CD1-CG2 3.66Å; I124-I177 HydrophobicContact CG1-CD1 3.99Å; I124-I177 HydrophobicContact CG1-CG1 4.2Å; I124-I177 HydrophobicContact CG1-CG2 4.02Å; I124-I177 HydrophobicContact CG2-CD1 4.01Å; V145-I177 HydrophobicContact CG1-CD1 4.19Å; Y150-I177 HydrophobicContact CD1-CD1 3.89Å; Y150-I177 HydrophobicContact CD1-CG1 3.74Å; Y150-I177 HydrophobicContact CD2-CD1 4.47Å; Y150-I177 HydrophobicContact CE1-CD1 3.8Å; Y150-I177 HydrophobicContact CE1-CG1 3.33Å; Y150-I177 HydrophobicContact CE2-CD1 4.38Å; Y150-I177 HydrophobicContact CG-CD1 4.23Å; F170-I177 HydrophobicContact CZ-CD1 4.43Å; I173-I177 HydrophobicContact CG2-CB 3.84Å; I173-I177 HydrophobicContact CG2-CG2 3.87Å; P174-I177 HydrophobicContact CB-CD1 4.06Å; P174-I177 HydrophobicContact CB-CG1 4.41Å; P174-I177 HydrophobicContact CG-CD1 3.81Å; P174-I177 WeakPolarHBondContact O-CB 3.37Å; P174-I177 PolarHBondContact O-N 3.5Å; K175-I177 PolarHBondContact O-N 2.73Å; I177-N181 HydrophobicContact CG2-CB 4.04Å; I177-L182 HydrophobicContact CG2-CD2 3.4Å; I177-L182 VanDerWaalsContact CG2-CD2 3.4Å; I177-L182 HydrophobicContact CG2-CG 3.7Å
178	V	76.8	Confident	79.7	Confident	69 Å²	69	36.1 Å²	36.1	42%	0.418	18%	0.18	S	C	.	.			trans	-93	167.6	176.3	-65.4	0	0	0	0	111.7	E176 E180 N181 L182	E176-V178 PolarHBondContact O-N 3.01Å; V178-E180 VanDerWaalsContact C-N 3.3Å; V178-E180 HydrophobicContact CG2-CG 4.24Å; V178-E180 PolarHBondContact O-N 3.01Å; V178-N181 WeakPolarHBondContact O-CA 3.18Å; V178-N181 WeakPolarHBondContact O-CB 2.89Å; V178-N181 PolarHBondContact O-N 2.84Å; V178-L182 PolarHBondContact O-N 3.38Å
179	G	66.6	Low	79	Confident	23 Å²	23	39.2 Å²	39.2	24%	0.237	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-37.6	-166.3	0	0	0	0	0	116.5	N181 L182 F209	G179-N181 VanDerWaalsContact C-N 3.26Å; G179-N181 PolarHBondContact O-N 2.92Å; G179-L182 CarbonylContact O-C 3.51Å; G179-L182 PolarHBondContact O-N 3.47Å; G179-L182 VanDerWaalsContact O-N 3.14Å; G179-F209 CarbonylContact C-O 3.56Å; G179-F209 VanDerWaalsContact CA-O 3.28Å; G179-F209 WeakPolarHBondContact CA-O 3.26Å
180	E	68.6	Low	78	Confident	138 Å²	138	43 Å²	43	65%	0.645	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-25.5	176	65.6	-174.9	175.3	0	0	113.7	N123 V178 L182	N123-E180 PolarHBondContact ND2-O 2.82Å; V178-E180 VanDerWaalsContact C-N 3.3Å; V178-E180 HydrophobicContact CG2-CG 4.24Å; V178-E180 PolarHBondContact O-N 3.01Å; E180-L182 VanDerWaalsContact C-N 3.35Å
181	N	72.9	Confident	76.9	Confident	31 Å²	31	48.9 Å²	48.9	17%	0.166	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-20.8	174.9	-64	-24.2	0	0	0	112.1	N123 I177 V178 G179 E183	N123-N181 HydrophobicContact CB-CB 4.01Å; N123-N181 WeakPolarHBondContact CB-OD1 3.15Å; I177-N181 HydrophobicContact CG2-CB 4.04Å; V178-N181 WeakPolarHBondContact O-CA 3.18Å; V178-N181 WeakPolarHBondContact O-CB 2.89Å; V178-N181 PolarHBondContact O-N 2.84Å; G179-N181 VanDerWaalsContact C-N 3.26Å; G179-N181 PolarHBondContact O-N 2.92Å; N181-E183 PolarHBondContact O-N 3.26Å; N181-E183 VanDerWaalsContact O-N 3.07Å
182	L	75.3	Confident	75.8	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.01	22%	0.219	C	C	.	.	S	Bend	trans	-82.3	47.3	169.3	-59.3	172.5	0	0	0	110.2	F121 I124 F170 I173 I177 V178 G179 E180 F209	F121-L182 HydrophobicContact CD1-CB 4.3Å; F121-L182 HydrophobicContact CD1-CD2 4.19Å; F121-L182 HydrophobicContact CE1-CB 4Å; F121-L182 HydrophobicContact CE1-CD2 3.82Å; F121-L182 HydrophobicContact CZ-CD2 4.26Å; I124-L182 HydrophobicContact CD1-CD2 4.16Å; F170-L182 HydrophobicContact CD2-CD2 4.3Å; F170-L182 HydrophobicContact CE2-CD2 4.02Å; I173-L182 HydrophobicContact CD1-CD1 3.86Å; I173-L182 HydrophobicContact CD1-CD2 3.91Å; I173-L182 HydrophobicContact CG2-CD1 4.37Å; I173-L182 HydrophobicContact CG2-CD2 4.01Å; I177-L182 HydrophobicContact CG2-CD2 3.4Å; I177-L182 VanDerWaalsContact CG2-CD2 3.4Å; I177-L182 HydrophobicContact CG2-CG 3.7Å; V178-L182 PolarHBondContact O-N 3.38Å; G179-L182 CarbonylContact O-C 3.51Å; G179-L182 PolarHBondContact O-N 3.47Å; G179-L182 VanDerWaalsContact O-N 3.14Å; E180-L182 VanDerWaalsContact C-N 3.35Å; L182-F209 HydrophobicContact CB-CB 3.61Å; L182-F209 HydrophobicContact CB-CD2 4.1Å; L182-F209 HydrophobicContact CB-CG 4.25Å; L182-F209 HydrophobicContact CD1-CB 4.24Å; L182-F209 WeakPolarHBondContact O-CB 3.42Å; L182-F209 WeakPolarHBondContact O-CD2 3.44Å; L182-F209 PolarHBondContact O-N 2.72Å; L182-F209 VanDerWaalsContact O-N 3.09Å
183	E	74.5	Confident	74.4	Confident	23 Å²	23	49 Å²	49	11%	0.107	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	119.9	174.9	-159.2	176.3	135.3	0	0	110.4	F121 Q122 N181 W185 E206 F207 R208	F121-E183 WeakPolarHBondContact CA-O 3.18Å; F121-E183 PolarHBondContact N-O 3.27Å; Q122-E183 PolarHBondContact N-O 2.85Å; N181-E183 PolarHBondContact O-N 3.26Å; N181-E183 VanDerWaalsContact O-N 3.07Å; E183-W185 WeakPolarHBondContact OE1-CZ2 3.3Å; E183-W185 PolarHBondContact OE1-NE1 2.85Å; E183-E206 HydrophobicContact CG-CG 4.46Å; E183-E206 VanDerWaalsContact OE1-CD 3.29Å; E183-E206 WeakPolarHBondContact OE1-CG 3.5Å; E183-F207 WeakPolarHBondContact CA-O 3.21Å; E183-F207 VanDerWaalsContact CG-O 3.23Å; E183-F207 WeakPolarHBondContact CG-O 3.32Å; E183-R208 HydrophobicContact CG-CG 3.79Å; E183-R208 IonicContact OE2-NE 3.98Å
184	S	76.9	Confident	72.9	Confident	5 Å²	5	51.5 Å²	51.5	4%	0.035	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	149.5	175.6	-64.9	0	0	0	0	109.7	S119 F121 F207	S119-S184 CarbonylContact O-C 3.58Å; S119-S184 WeakPolarHBondContact O-CA 3.32Å; F121-S184 WeakPolarHBondContact CD1-OG 3.31Å; F121-S184 WeakPolarHBondContact CE1-OG 3.21Å; F121-S184 PolarHBondContact N-OG 2.78Å; S184-F207 PolarHBondContact N-O 2.89Å; S184-F207 WeakPolarHBondContact O-CA 3.33Å; S184-F207 WeakPolarHBondContact O-CB 3.37Å; S184-F207 VanDerWaalsContact O-CD2 3.31Å; S184-F207 WeakPolarHBondContact O-CD2 3.31Å; S184-F207 PolarHBondContact O-N 2.99Å; S184-F207 VanDerWaalsContact O-O 3.07Å
185	W	77.4	Confident	71.3	Confident	65 Å²	65	60.8 Å²	60.8	25%	0.246	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	134.5	-173.9	-66.2	52	0	0	0	107.9	I118 S119 E183 T204 E206	I118-W185 CarbonylContact C-O 3.6Å; I118-W185 WeakPolarHBondContact CA-O 3.38Å; S119-W185 PolarHBondContact N-O 3.45Å; S119-W185 PolarHBondContact O-N 3.1Å; E183-W185 WeakPolarHBondContact OE1-CZ2 3.3Å; E183-W185 PolarHBondContact OE1-NE1 2.85Å; W185-T204 HydrophobicContact CD2-CG2 4.2Å; W185-T204 HydrophobicContact CE3-CG2 3.07Å; W185-T204 HydrophobicContact CZ3-CG2 3.33Å; W185-E206 HydrophobicContact CD2-CG 4.35Å; W185-E206 HydrophobicContact CH2-CG 4.21Å; W185-E206 HydrophobicContact CZ2-CG 3.7Å
186	I	79.8	Confident	69.9	Low	3 Å²	3	61.8 Å²	61.8	2%	0.015	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	119.1	167.6	-67.7	-160.6	0	0	0	106.9	Y91 Y92 Q117 I118 I205 F207 W220	Y91-I186 HydrophobicContact CE2-CG2 4.23Å; Y91-I186 WeakPolarHBondContact OH-CG2 3.45Å; Y92-I186 HydrophobicContact CE2-CG2 4.48Å; Q117-I186 WeakPolarHBondContact O-CA 3.4Å; I118-I186 HydrophobicContact CB-CD1 4.24Å; I118-I186 HydrophobicContact CB-CG1 4.12Å; I118-I186 HydrophobicContact CD1-CD1 3.85Å; I118-I186 HydrophobicContact CG1-CD1 3.76Å; I118-I186 HydrophobicContact CG1-CG1 3.9Å; I118-I186 HydrophobicContact CG1-CG2 4.33Å; I118-I186 HydrophobicContact CG2-CD1 3.74Å; I118-I186 HydrophobicContact CG2-CG1 3.79Å; I186-I205 PolarHBondContact N-O 3.12Å; I186-I205 WeakPolarHBondContact O-CA 3.46Å; I186-I205 VanDerWaalsContact O-CB 3.29Å; I186-I205 WeakPolarHBondContact O-CB 3.46Å; I186-I205 PolarHBondContact O-N 2.84Å; I186-I205 VanDerWaalsContact O-O 3.09Å; I186-F207 HydrophobicContact CB-CE2 3.83Å; I186-F207 HydrophobicContact CB-CZ 4.41Å; I186-F207 HydrophobicContact CG1-CE2 4.37Å; I186-W220 HydrophobicContact CB-CH2 3.4Å; I186-W220 HydrophobicContact CB-CZ3 3.39Å; I186-W220 HydrophobicContact CD1-CD2 4.04Å; I186-W220 HydrophobicContact CD1-CE3 3.59Å; I186-W220 HydrophobicContact CD1-CH2 2.93Å; I186-W220 HydrophobicContact CD1-CZ2 3.44Å; I186-W220 VanDerWaalsContact CD1-CZ2 3.44Å; I186-W220 HydrophobicContact CD1-CZ3 3.05Å; I186-W220 HydrophobicContact CG1-CE3 4.43Å; I186-W220 HydrophobicContact CG1-CH2 3.07Å; I186-W220 HydrophobicContact CG1-CZ2 3.89Å; I186-W220 HydrophobicContact CG1-CZ3 3.44Å; I186-W220 VanDerWaalsContact CG1-CZ3 3.44Å; I186-W220 HydrophobicContact CG2-CH2 4.2Å; I186-W220 HydrophobicContact CG2-CZ3 3.69Å
187	D	77.3	Confident	68.4	Low	11 Å²	11	63.7 Å²	63.7	6%	0.059	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	150.7	175	70.8	78.9	0	0	0	110.7	Y91 G116 Q117 R189 H203 T204	Y91-D187 PolarHBondContact OH-O 3.39Å; G116-D187 WeakPolarHBondContact CA-O 3.34Å; Q117-D187 WeakPolarHBondContact CB-OD2 3.33Å; Q117-D187 PolarHBondContact N-O 3.22Å; Q117-D187 VanDerWaalsContact N-O 3.12Å; Q117-D187 PolarHBondContact N-OD1 3.49Å; Q117-D187 VanDerWaalsContact N-OD1 3.1Å; Q117-D187 PolarHBondContact O-N 2.91Å; D187-R189 IonicContact OD1-NE 3.78Å; D187-H203 VanDerWaalsContact CA-O 3.29Å; D187-H203 WeakPolarHBondContact CA-O 3.29Å; D187-H203 VanDerWaalsContact CB-O 3.27Å; D187-H203 WeakPolarHBondContact CB-O 3.48Å; D187-T204 HydrophobicContact CB-CG2 4.3Å
188	Y	77.2	Confident	67.1	Low	11 Å²	11	69.4 Å²	69.4	4%	0.043	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	146.1	165.7	72.3	-87.6	0	0	0	108.5	I33 Y92 I115 H203 I205	I33-Y188 HydrophobicContact CD1-CE2 4.19Å; I33-Y188 VanDerWaalsContact CD1-OH 3.26Å; I33-Y188 WeakPolarHBondContact CD1-OH 3.08Å; I33-Y188 VanDerWaalsContact CG1-OH 3.32Å; I33-Y188 WeakPolarHBondContact CG1-OH 3.03Å; I33-Y188 WeakPolarHBondContact CG2-OH 2.97Å; Y92-Y188 AromaticContact CD1-CD1 3.61Å; Y92-Y188 HydrophobicContact CD1-CD1 3.61Å; Y92-Y188 HydrophobicContact CD1-CD2 4.25Å; Y92-Y188 AromaticContact CD1-CE1 3.95Å; Y92-Y188 HydrophobicContact CD1-CE1 3.95Å; Y92-Y188 AromaticContact CD1-CG 3.74Å; Y92-Y188 HydrophobicContact CD1-CG 3.74Å; Y92-Y188 HydrophobicContact CD2-CD1 4.33Å; Y92-Y188 HydrophobicContact CD2-CG 4.12Å; Y92-Y188 AromaticContact CE1-CD1 3.29Å; Y92-Y188 HydrophobicContact CE1-CD1 3.29Å; Y92-Y188 AromaticContact CE1-CE1 3.6Å; Y92-Y188 HydrophobicContact CE1-CE1 3.6Å; Y92-Y188 AromaticContact CE1-CG 3.9Å; Y92-Y188 HydrophobicContact CE1-CG 3.9Å; Y92-Y188 HydrophobicContact CE2-CD1 4.08Å; Y92-Y188 HydrophobicContact CE2-CG 4.28Å; Y92-Y188 HydrophobicContact CG-CD1 4.11Å; Y92-Y188 HydrophobicContact CG-CD2 4.4Å; Y92-Y188 AromaticContact CG-CG 3.84Å; Y92-Y188 HydrophobicContact CG-CG 3.84Å; Y92-Y188 AromaticContact CZ-CD1 3.55Å; I115-Y188 WeakPolarHBondContact O-CA 3.03Å; Y188-H203 HydrophobicContact CD1-CB 4.44Å; Y188-H203 HydrophobicContact CE1-CB 4Å; Y188-H203 HydrophobicContact CE2-CB 4.39Å; Y188-H203 PolarHBondContact N-O 2.83Å; Y188-H203 VanDerWaalsContact N-O 3.1Å; Y188-H203 PolarHBondContact O-N 2.87Å; Y188-H203 VanDerWaalsContact O-N 3.13Å; Y188-I205 HydrophobicContact CD1-CD1 4.41Å; Y188-I205 HydrophobicContact CE1-CD1 4.17Å
189	R	73.7	Confident	65.8	Low	71 Å²	71	69 Å²	69	27%	0.268	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	120.9	-179.9	-58.6	-170.5	-175.3	-164.9	1.2	108	I115 D187 N202	I115-R189 PolarHBondContact O-N 2.78Å; D187-R189 IonicContact OD1-NE 3.78Å; R189-N202 WeakPolarHBondContact CD-OD1 3.43Å; R189-N202 WeakPolarHBondContact CG-OD1 3.47Å
190	Y	67.6	Low	65.2	Low	84 Å²	84	71.7 Å²	71.7	33%	0.329	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	134.2	177.4	-161.9	-90.2	0	0	0	109.8	C192 S201	Y190-C192 PolarHBondContact O-N 2.82Å; Y190-S201 PolarHBondContact N-O 2.89Å; Y190-S201 PolarHBondContact O-N 3.44Å
191	K	64.1	Low	64.7	Low	123 Å²	123	66 Å²	66	54%	0.535	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	110.6	176.8	-60.1	-170	-176.2	172.7	0	108.8	D113 V200	D113-K191 WeakPolarHBondContact OD2-CE 3.49Å; D113-K191 IonicContact OD2-NZ 3.12Å; D113-K191 PolarHBondContact OD2-NZ 2.88Å; K191-V200 HydrophobicContact CD-CG2 4.43Å; K191-V200 HydrophobicContact CG-CG1 4.37Å; K191-V200 HydrophobicContact CG-CG2 4.03Å
192	C	61	Low	63.9	Low	8 Å²	8	68.7 Å²	68.7	5%	0.054	34%	0.336	C	S	.	.			trans	-88.3	128.8	168.9	-74	0	0	0	0	109.4	C30 Y190 D194	C30-C192 HydrophobicContact CB-CB 3.98Å; C30-C192 WeakPolarHBondContact CB-SG 3.43Å; C30-C192 VanDerWaalsContact SG-CA 3.55Å; C30-C192 WeakPolarHBondContact SG-CB 3.35Å; C30-C192 CovalentContact SG-SG 2.03Å; C30-C192 PolarHBondContact SG-SG 2.87Å; Y190-C192 PolarHBondContact O-N 2.82Å; C192-D194 PolarHBondContact O-N 2.77Å; C192-D194 VanDerWaalsContact O-N 3.1Å
193	L	54.2	Low	63.1	Low	110 Å²	110	69.7 Å²	69.7	58%	0.576	34%	0.341	S	S	*	.			trans	-78	92.2	165.4	-65.5	175.4	0	0	0	107.5	F23 K195 N198	F23-L193 HydrophobicContact CE1-CD1 4.45Å; F23-L193 HydrophobicContact CZ-CD1 4.44Å; L193-K195 PolarHBondContact O-N 2.79Å; L193-N198 WeakPolarHBondContact CD2-OD1 3.29Å
194	D	53.2	Low	62.2	Low	66 Å²	66	71.6 Å²	71.6	35%	0.353	35%	0.354	S	S	.	.			trans	-67.5	129.5	160.5	-166	-33.1	0	0	0	107.6	C192 Q196 N197 N198	C192-D194 PolarHBondContact O-N 2.77Å; C192-D194 VanDerWaalsContact O-N 3.1Å; D194-Q196 PolarHBondContact O-N 2.84Å; D194-Q196 PolarHBondContact OD1-N 2.82Å; D194-N197 PolarHBondContact O-N 2.95Å; D194-N198 PolarHBondContact O-N 2.92Å
195	K	53.6	Low	61.2	Low	195 Å²	195	73 Å²	73	85%	0.848	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-19.1	175.5	-73.5	-179.1	179.4	174.4	0	112.4	L193	L193-K195 PolarHBondContact O-N 2.79Å
196	Q	53.9	Low	60.1	Low	171 Å²	171	72 Å²	72	80%	0.799	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	-25	-177.9	-64.5	178.8	10.4	0	0	115.1	D194	D194-Q196 PolarHBondContact O-N 2.84Å; D194-Q196 PolarHBondContact OD1-N 2.82Å
197	N	51.7	Low	59.2	Low	128 Å²	128	72.2 Å²	72.2	68%	0.684	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-155.6	14.9	-166.7	-122	14.4	0	0	0	119.4	D194 T199	D194-N197 PolarHBondContact O-N 2.95Å; N197-T199 HydrophobicContact CB-CG2 4.23Å; N197-T199 PolarHBondContact O-N 2.79Å
198	N	52.1	Low	58.1	Low	120 Å²	120	78.4 Å²	78.4	64%	0.642	38%	0.382	S	S	*	.			trans	47.2	37.9	175.1	-74.6	-18.8	0	0	0	114.6	L193 D194 V200	L193-N198 WeakPolarHBondContact CD2-OD1 3.29Å; D194-N198 PolarHBondContact O-N 2.92Å; N198-V200 PolarHBondContact O-N 3.28Å
199	T	50.9	Low	56.9	Low	61 Å²	61	78.7 Å²	78.7	37%	0.374	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-75.7	124.3	-175.1	47	0	0	0	0	112.1	N197 S201	N197-T199 HydrophobicContact CB-CG2 4.23Å; N197-T199 PolarHBondContact O-N 2.79Å; T199-S201 PolarHBondContact O-N 2.98Å
200	V	54.2	Low	55.6	Low	79 Å²	79	83.1 Å²	83.1	48%	0.479	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	124	165.9	-174.1	0	0	0	0	108.4	K191 N198	K191-V200 HydrophobicContact CD-CG2 4.43Å; K191-V200 HydrophobicContact CG-CG1 4.37Å; K191-V200 HydrophobicContact CG-CG2 4.03Å; N198-V200 PolarHBondContact O-N 3.28Å
201	S	56.6	Low	54.9	Low	20 Å²	20	83.2 Å²	83.2	14%	0.14	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	127.2	170.7	-61.6	0	0	0	0	107.9	Y190 T199 H203	Y190-S201 PolarHBondContact N-O 2.89Å; Y190-S201 PolarHBondContact O-N 3.44Å; T199-S201 PolarHBondContact O-N 2.98Å; S201-H203 VanDerWaalsContact CB-CE1 3.48Å; S201-H203 WeakPolarHBondContact CB-CE1 3.44Å
202	N	56.5	Low	54.1	Low	87 Å²	87	82.5 Å²	82.5	47%	0.465	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	125.3	171.9	-65.2	-21.5	0	0	0	107.4	R189	R189-N202 WeakPolarHBondContact CD-OD1 3.43Å; R189-N202 WeakPolarHBondContact CG-OD1 3.47Å
203	H	58.9	Low	53.8	Low	22 Å²	22	83.6 Å²	83.6	10%	0.102	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	112.4	179.4	-69.1	102.7	0	0	0	109	I33 D187 Y188 S201	I33-H203 WeakPolarHBondContact CB-NE2 3.47Å; I33-H203 HydrophobicContact CG2-CB 3.8Å; I33-H203 WeakPolarHBondContact CG2-CD2 3.4Å; I33-H203 VanDerWaalsContact CG2-CE1 3.48Å; I33-H203 WeakPolarHBondContact CG2-CE1 3.44Å; I33-H203 WeakPolarHBondContact CG2-ND1 2.97Å; I33-H203 WeakPolarHBondContact CG2-NE2 3.27Å; I33-H203 PolarHBondContact O-CD2 3.24Å; I33-H203 PolarHBondContact O-NE2 3.03Å; D187-H203 VanDerWaalsContact CA-O 3.29Å; D187-H203 WeakPolarHBondContact CA-O 3.29Å; D187-H203 VanDerWaalsContact CB-O 3.27Å; D187-H203 WeakPolarHBondContact CB-O 3.48Å; Y188-H203 HydrophobicContact CD1-CB 4.44Å; Y188-H203 HydrophobicContact CE1-CB 4Å; Y188-H203 HydrophobicContact CE2-CB 4.39Å; Y188-H203 PolarHBondContact N-O 2.83Å; Y188-H203 VanDerWaalsContact N-O 3.1Å; Y188-H203 PolarHBondContact O-N 2.87Å; Y188-H203 VanDerWaalsContact O-N 3.13Å; S201-H203 VanDerWaalsContact CB-CE1 3.48Å; S201-H203 WeakPolarHBondContact CB-CE1 3.44Å
204	T	54.9	Low	53.8	Low	64 Å²	64	80.4 Å²	80.4	39%	0.393	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	121	-175.7	-56.8	0	0	0	0	109.2	W185 D187	W185-T204 HydrophobicContact CD2-CG2 4.2Å; W185-T204 HydrophobicContact CE3-CG2 3.07Å; W185-T204 HydrophobicContact CZ3-CG2 3.33Å; D187-T204 HydrophobicContact CB-CG2 4.3Å
205	I	55.8	Low	54	Low	34 Å²	34	80.5 Å²	80.5	17%	0.174	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	123.7	174.2	-46.6	179.7	0	0	0	107.6	Y56 I186 Y188 F207	Y56-I205 HydrophobicContact CD1-CD1 4.4Å; Y56-I205 HydrophobicContact CE1-CD1 3.55Å; Y56-I205 HydrophobicContact CE1-CG2 4.27Å; Y56-I205 WeakPolarHBondContact OH-CG2 3.47Å; I186-I205 PolarHBondContact N-O 3.12Å; I186-I205 WeakPolarHBondContact O-CA 3.46Å; I186-I205 VanDerWaalsContact O-CB 3.29Å; I186-I205 WeakPolarHBondContact O-CB 3.46Å; I186-I205 PolarHBondContact O-N 2.84Å; I186-I205 VanDerWaalsContact O-O 3.09Å; Y188-I205 HydrophobicContact CD1-CD1 4.41Å; Y188-I205 HydrophobicContact CE1-CD1 4.17Å; I205-F207 HydrophobicContact CB-CE2 3.91Å; I205-F207 HydrophobicContact CB-CZ 4.1Å; I205-F207 HydrophobicContact CG2-CE1 4.36Å; I205-F207 HydrophobicContact CG2-CE2 3.82Å; I205-F207 HydrophobicContact CG2-CZ 3.67Å; I205-F207 WeakPolarHBondContact O-CD2 3.49Å; I205-F207 WeakPolarHBondContact O-CE2 3.49Å
206	E	55.5	Low	54.4	Low	45 Å²	45	71.4 Å²	71.4	21%	0.21	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	129.2	-170.1	-173.2	-171.5	153.8	0	0	108.7	K37 E183 W185 R208	K37-E206 IonicContact NZ-OE2 3.01Å; K37-E206 PolarHBondContact NZ-OE2 2.83Å; E183-E206 HydrophobicContact CG-CG 4.46Å; E183-E206 VanDerWaalsContact OE1-CD 3.29Å; E183-E206 WeakPolarHBondContact OE1-CG 3.5Å; W185-E206 HydrophobicContact CD2-CG 4.35Å; W185-E206 HydrophobicContact CH2-CG 4.21Å; W185-E206 HydrophobicContact CZ2-CG 3.7Å; E206-R208 IonicContact OE1-CZ 2.76Å; E206-R208 IonicContact OE1-NE 3.6Å; E206-R208 PolarHBondContact OE1-NE 2.65Å; E206-R208 IonicContact OE1-NH2 3.17Å; E206-R208 PolarHBondContact OE1-NH2 2.89Å
207	F	60	Low	55	Low	7 Å²	7	64.2 Å²	64.2	3%	0.031	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	116.5	-177.4	-53.9	-98	0	0	0	109.9	Y56 E183 S184 I186 I205 W220	Y56-F207 HydrophobicContact CE1-CZ 4.25Å; Y56-F207 AromaticContact CE2-CE1 3.56Å; Y56-F207 HydrophobicContact CE2-CE1 3.56Å; Y56-F207 AromaticContact CE2-CZ 3.77Å; Y56-F207 HydrophobicContact CE2-CZ 3.77Å; Y56-F207 AromaticContact CZ-CE1 3.5Å; Y56-F207 VanDerWaalsContact CZ-CE1 3.5Å; Y56-F207 AromaticContact CZ-CZ 3.36Å; Y56-F207 WeakPolarHBondContact OH-CE1 3.4Å; Y56-F207 WeakPolarHBondContact OH-CZ 3.31Å; E183-F207 WeakPolarHBondContact CA-O 3.21Å; E183-F207 VanDerWaalsContact CG-O 3.23Å; E183-F207 WeakPolarHBondContact CG-O 3.32Å; S184-F207 PolarHBondContact N-O 2.89Å; S184-F207 WeakPolarHBondContact O-CA 3.33Å; S184-F207 WeakPolarHBondContact O-CB 3.37Å; S184-F207 VanDerWaalsContact O-CD2 3.31Å; S184-F207 WeakPolarHBondContact O-CD2 3.31Å; S184-F207 PolarHBondContact O-N 2.99Å; S184-F207 VanDerWaalsContact O-O 3.07Å; I186-F207 HydrophobicContact CB-CE2 3.83Å; I186-F207 HydrophobicContact CB-CZ 4.41Å; I186-F207 HydrophobicContact CG1-CE2 4.37Å; I205-F207 HydrophobicContact CB-CE2 3.91Å; I205-F207 HydrophobicContact CB-CZ 4.1Å; I205-F207 HydrophobicContact CG2-CE1 4.36Å; I205-F207 HydrophobicContact CG2-CE2 3.82Å; I205-F207 HydrophobicContact CG2-CZ 3.67Å; I205-F207 WeakPolarHBondContact O-CD2 3.49Å; I205-F207 WeakPolarHBondContact O-CE2 3.49Å; F207-W220 HydrophobicContact CD1-CH2 4.07Å; F207-W220 HydrophobicContact CD1-CZ2 4.19Å; F207-W220 AromaticContact CD2-CH2 3.7Å; F207-W220 HydrophobicContact CD2-CH2 3.7Å; F207-W220 HydrophobicContact CD2-CZ2 4.26Å; F207-W220 AromaticContact CE1-CH2 3.48Å; F207-W220 HydrophobicContact CE1-CH2 3.48Å; F207-W220 VanDerWaalsContact CE1-CH2 3.48Å; F207-W220 AromaticContact CE1-CZ2 3.92Å; F207-W220 HydrophobicContact CE1-CZ2 3.92Å; F207-W220 AromaticContact CE1-CZ3 3.92Å; F207-W220 HydrophobicContact CE1-CZ3 3.92Å; F207-W220 AromaticContact CE2-CH2 3.16Å; F207-W220 HydrophobicContact CE2-CH2 3.16Å; F207-W220 HydrophobicContact CE2-CZ2 4.1Å; F207-W220 AromaticContact CE2-CZ3 3.77Å; F207-W220 HydrophobicContact CE2-CZ3 3.77Å; F207-W220 HydrophobicContact CG-CH2 4.13Å; F207-W220 HydrophobicContact CG-CZ2 4.31Å; F207-W220 HydrophobicContact CZ-CE3 4.37Å; F207-W220 AromaticContact CZ-CH2 2.97Å; F207-W220 HydrophobicContact CZ-CH2 2.97Å; F207-W220 AromaticContact CZ-CZ2 3.87Å; F207-W220 HydrophobicContact CZ-CZ2 3.87Å; F207-W220 AromaticContact CZ-CZ3 3.26Å; F207-W220 HydrophobicContact CZ-CZ3 3.26Å
208	R	54.2	Low	55.6	Low	140 Å²	140	58.1 Å²	58.1	53%	0.528	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	124.6	175.6	-67.6	-178.3	-165.3	-172.2	2.9	110.6	E183 E206	E183-R208 HydrophobicContact CG-CG 3.79Å; E183-R208 IonicContact OE2-NE 3.98Å; E206-R208 IonicContact OE1-CZ 2.76Å; E206-R208 IonicContact OE1-NE 3.6Å; E206-R208 PolarHBondContact OE1-NE 2.65Å; E206-R208 IonicContact OE1-NH2 3.17Å; E206-R208 PolarHBondContact OE1-NH2 2.89Å
209	F	53	Low	56.2	Low	17 Å²	17	56 Å²	56	8%	0.075	29%	0.289	C	S	.	.			trans	-85.1	116.1	163.8	-69.2	-84.3	0	0	0	109.5	V60 F121 L168 G179 L182 V216 L218	V60-F209 HydrophobicContact CG1-CD1 4.5Å; V60-F209 HydrophobicContact CG1-CE1 4.15Å; F121-F209 AromaticContact CE1-CD2 3.71Å; F121-F209 HydrophobicContact CE1-CD2 3.71Å; F121-F209 AromaticContact CE1-CE2 3.54Å; F121-F209 HydrophobicContact CE1-CE2 3.54Å; F121-F209 HydrophobicContact CZ-CD2 4.34Å; F121-F209 AromaticContact CZ-CE2 3.79Å; F121-F209 HydrophobicContact CZ-CE2 3.79Å; F121-F209 HydrophobicContact CZ-CZ 4.48Å; L168-F209 HydrophobicContact CD2-CZ 4.43Å; G179-F209 CarbonylContact C-O 3.56Å; G179-F209 VanDerWaalsContact CA-O 3.28Å; G179-F209 WeakPolarHBondContact CA-O 3.26Å; L182-F209 HydrophobicContact CB-CB 3.61Å; L182-F209 HydrophobicContact CB-CD2 4.1Å; L182-F209 HydrophobicContact CB-CG 4.25Å; L182-F209 HydrophobicContact CD1-CB 4.24Å; L182-F209 WeakPolarHBondContact O-CB 3.42Å; L182-F209 WeakPolarHBondContact O-CD2 3.44Å; L182-F209 PolarHBondContact O-N 2.72Å; L182-F209 VanDerWaalsContact O-N 3.09Å; F209-V216 HydrophobicContact CD1-CG1 4.12Å; F209-V216 HydrophobicContact CE1-CB 4.49Å; F209-V216 HydrophobicContact CE1-CG1 3.39Å; F209-V216 HydrophobicContact CZ-CG1 4.03Å; F209-L218 HydrophobicContact CE1-CD1 4Å; F209-L218 HydrophobicContact CE1-CD2 3.42Å; F209-L218 VanDerWaalsContact CE1-CD2 3.42Å; F209-L218 HydrophobicContact CE1-CG 3.74Å; F209-L218 HydrophobicContact CE2-CD1 3.73Å; F209-L218 HydrophobicContact CE2-CG 4.31Å; F209-L218 HydrophobicContact CZ-CD1 3.19Å; F209-L218 HydrophobicContact CZ-CD2 3.54Å; F209-L218 HydrophobicContact CZ-CG 3.3Å
210	Q	46.6	Very low	56.8	Low	164 Å²	164	53.9 Å²	53.9	77%	0.766	28%	0.275	S	S	*	.			trans	-89.7	1.2	-177.6	-72.9	-92.8	-41.6	0	0	113.7
211	K	51.4	Low	57.2	Low	86 Å²	86	52.2 Å²	52.2	37%	0.374	27%	0.266	S	S	.	.	S	Bend	trans	-126.4	133.2	-171.5	-67.2	-178.7	176.7	171.7	0	111.9	A46 L213	A46-K211 PolarHBondContact O-NZ 3.41Å; A46-K211 VanDerWaalsContact O-NZ 3.09Å; K211-L213 HydrophobicContact CB-CD1 3.68Å; K211-L213 HydrophobicContact CB-CD2 3.91Å; K211-L213 HydrophobicContact CB-CG 3.57Å; K211-L213 HydrophobicContact CD-CD1 4.42Å; K211-L213 HydrophobicContact CD-CD2 4.4Å; K211-L213 PolarHBondContact O-N 2.76Å
212	T	48.8	Very low	57	Low	108 Å²	108	53.4 Å²	53.4	66%	0.663	27%	0.271	S	S	*	.			trans	-68.6	109.7	162.6	-6.5	0	0	0	0	107.9
213	L	53.5	Low	56.5	Low	31 Å²	31	51.8 Å²	51.8	16%	0.162	26%	0.262	C	S	.	.			trans	-135.8	139.8	-172.5	-66.3	173.6	0	0	0	109.2	V62 I173 K211 V216	V62-L213 HydrophobicContact CB-CD1 4.29Å; V62-L213 HydrophobicContact CB-CD2 4.38Å; V62-L213 HydrophobicContact CG1-CB 4.02Å; V62-L213 HydrophobicContact CG1-CD1 3.85Å; V62-L213 HydrophobicContact CG1-CD2 3.31Å; V62-L213 HydrophobicContact CG1-CG 3.88Å; V62-L213 HydrophobicContact CG2-CD1 3.44Å; V62-L213 VanDerWaalsContact CG2-CD1 3.44Å; V62-L213 HydrophobicContact CG2-CD2 4.12Å; V62-L213 HydrophobicContact CG2-CG 4.33Å; I173-L213 WeakPolarHBondContact CD1-O 3.07Å; I173-L213 WeakPolarHBondContact CG1-O 3.39Å; K211-L213 HydrophobicContact CB-CD1 3.68Å; K211-L213 HydrophobicContact CB-CD2 3.91Å; K211-L213 HydrophobicContact CB-CG 3.57Å; K211-L213 HydrophobicContact CD-CD1 4.42Å; K211-L213 HydrophobicContact CD-CD2 4.4Å; K211-L213 PolarHBondContact O-N 2.76Å; L213-V216 HydrophobicContact CB-CG2 3.42Å; L213-V216 VanDerWaalsContact CB-CG2 3.42Å; L213-V216 HydrophobicContact CD1-CG2 3.63Å; L213-V216 HydrophobicContact CG-CG2 4.17Å
214	S	54	Low	55.4	Low	44 Å²	44	60.9 Å²	60.9	31%	0.308	30%	0.296	S	S	.	.	S	Bend	trans	-77.2	-29.8	-176.3	81	0	0	0	0	111.9	E63 N171 N172	E63-S214 PolarHBondContact OE1-OG 2.94Å; E63-S214 PolarHBondContact OE2-OG 2.83Å; N171-S214 CarbonylContact C-O 3.52Å; N172-S214 WeakPolarHBondContact CA-O 3.35Å
215	K	57.3	Low	54.3	Low	67 Å²	67	63 Å²	63	29%	0.291	30%	0.303	S	S	.	.			trans	-144.3	125.8	178.6	-66.7	171	-174.1	169.8	0	111.3	V62 E63 Q64 Y169 F170 N171	V62-K215 CarbonylContact C-O 3.54Å; V62-K215 WeakPolarHBondContact CA-O 3.18Å; E63-K215 PolarHBondContact N-O 2.87Å; Q64-K215 WeakPolarHBondContact O-CD 3.45Å; Y169-K215 HydrophobicContact CE2-CB 4.23Å; Y169-K215 WeakPolarHBondContact OH-CD 3.27Å; F170-K215 VanDerWaalsContact O-CA 3.3Å; F170-K215 WeakPolarHBondContact O-CA 3.07Å; N171-K215 WeakPolarHBondContact O-CE 3.3Å; N171-K215 WeakPolarHBondContact O-CG 3.5Å
216	V	61.9	Low	52.9	Low	4 Å²	4	68.9 Å²	68.9	2%	0.024	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	127.5	-177.4	-172.9	0	0	0	0	110.2	V60 L61 Y169 F170 I173 F209 L213	V60-V216 HydrophobicContact CG1-CG1 3.86Å; L61-V216 CarbonylContact O-C 3.51Å; L61-V216 WeakPolarHBondContact O-CA 3.33Å; Y169-V216 CarbonylContact C-O 3.52Å; Y169-V216 VanDerWaalsContact CA-O 3.23Å; Y169-V216 WeakPolarHBondContact CA-O 3.5Å; F170-V216 PolarHBondContact N-O 3.22Å; F170-V216 PolarHBondContact O-N 2.95Å; I173-V216 HydrophobicContact CD1-CG2 4.24Å; F209-V216 HydrophobicContact CD1-CG1 4.12Å; F209-V216 HydrophobicContact CE1-CB 4.49Å; F209-V216 HydrophobicContact CE1-CG1 3.39Å; F209-V216 HydrophobicContact CZ-CG1 4.03Å; L213-V216 HydrophobicContact CB-CG2 3.42Å; L213-V216 VanDerWaalsContact CB-CG2 3.42Å; L213-V216 HydrophobicContact CD1-CG2 3.63Å; L213-V216 HydrophobicContact CG-CG2 4.17Å
217	V	66.3	Low	51.3	Low	20 Å²	20	75.3 Å²	75.3	12%	0.121	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	123.5	166.6	179.2	0	0	0	0	108.6	V60 L61 Q64 L168 Y169 L219	V60-V217 WeakPolarHBondContact CA-O 3.34Å; L61-V217 HydrophobicContact CB-CB 4.31Å; L61-V217 PolarHBondContact N-O 2.88Å; L61-V217 PolarHBondContact O-N 3.47Å; Q64-V217 HydrophobicContact CB-CB 4.47Å; Q64-V217 HydrophobicContact CB-CG2 3.53Å; Q64-V217 HydrophobicContact CG-CB 4.19Å; Q64-V217 HydrophobicContact CG-CG2 3.77Å; L168-V217 CarbonylContact O-C 3.51Å; L168-V217 VanDerWaalsContact O-CA 3.26Å; L168-V217 WeakPolarHBondContact O-CA 3.36Å; Y169-V217 HydrophobicContact CD2-CG2 3.51Å; Y169-V217 HydrophobicContact CE2-CG2 4.19Å; Y169-V217 HydrophobicContact CG-CG2 4.48Å; V217-L219 HydrophobicContact CG1-CD2 3.85Å; V217-L219 HydrophobicContact CG1-CG 3.86Å
218	L	66	Low	49.6	Very low	1 Å²	1	80.2 Å²	80.2	1%	0.005	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	135.1	158.3	-64	-179.4	0	0	0	109.6	Q58 T59 V60 S167 L168 F209 W220	Q58-L218 HydrophobicContact CG-CD2 4.43Å; T59-L218 CarbonylContact O-C 3.49Å; T59-L218 VanDerWaalsContact O-CA 3.29Å; T59-L218 WeakPolarHBondContact O-CA 3.16Å; V60-L218 HydrophobicContact CB-CD2 4.14Å; V60-L218 HydrophobicContact CG1-CD2 4.09Å; V60-L218 HydrophobicContact CG2-CD2 3.59Å; S167-L218 CarbonylContact C-O 3.59Å; S167-L218 WeakPolarHBondContact CA-O 3.45Å; S167-L218 VanDerWaalsContact CB-O 3.25Å; S167-L218 WeakPolarHBondContact CB-O 3.49Å; L168-L218 HydrophobicContact CB-CB 4.17Å; L168-L218 HydrophobicContact CB-CD1 4.33Å; L168-L218 PolarHBondContact N-O 3.17Å; L168-L218 PolarHBondContact O-N 3.04Å; F209-L218 HydrophobicContact CE1-CD1 4Å; F209-L218 HydrophobicContact CE1-CD2 3.42Å; F209-L218 VanDerWaalsContact CE1-CD2 3.42Å; F209-L218 HydrophobicContact CE1-CG 3.74Å; F209-L218 HydrophobicContact CE2-CD1 3.73Å; F209-L218 HydrophobicContact CE2-CG 4.31Å; F209-L218 HydrophobicContact CZ-CD1 3.19Å; F209-L218 HydrophobicContact CZ-CD2 3.54Å; F209-L218 HydrophobicContact CZ-CG 3.3Å; L218-W220 HydrophobicContact CD1-CZ2 4.43Å
219	L	63.2	Low	48.1	Very low	74 Å²	74	78.9 Å²	78.9	39%	0.387	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	134.9	166.8	-61.5	174.2	0	0	0	109.2	Q58 T59 L61 V217	Q58-L219 CarbonylContact C-O 3.53Å; Q58-L219 WeakPolarHBondContact CA-O 3.34Å; T59-L219 PolarHBondContact N-O 2.95Å; T59-L219 PolarHBondContact O-N 3.17Å; L61-L219 HydrophobicContact CD1-CD1 4.42Å; V217-L219 HydrophobicContact CG1-CD2 3.85Å; V217-L219 HydrophobicContact CG1-CG 3.86Å
220	W	65	Low	47	Very low	18 Å²	18	85.3 Å²	85.3	7%	0.068	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	130.9	-177.6	-60.2	50.2	0	0	0	107.6	Y56 F57 K165 M166 I186 F207 L218	Y56-W220 HydrophobicContact CD2-CE3 4.11Å; Y56-W220 HydrophobicContact CE2-CE3 4.21Å; Y56-W220 HydrophobicContact CE2-CZ3 4.22Å; F57-W220 WeakPolarHBondContact O-CA 3.32Å; K165-W220 WeakPolarHBondContact CA-O 3.23Å; K165-W220 WeakPolarHBondContact CB-O 3.36Å; M166-W220 HydrophobicContact CB-CB 4.02Å; M166-W220 HydrophobicContact CB-CG 4.25Å; M166-W220 PolarHBondContact N-O 3.26Å; M166-W220 WeakPolarHBondContact O-CB 3.33Å; M166-W220 PolarHBondContact O-N 3.08Å; I186-W220 HydrophobicContact CB-CH2 3.4Å; I186-W220 HydrophobicContact CB-CZ3 3.39Å; I186-W220 HydrophobicContact CD1-CD2 4.04Å; I186-W220 HydrophobicContact CD1-CE3 3.59Å; I186-W220 HydrophobicContact CD1-CH2 2.93Å; I186-W220 HydrophobicContact CD1-CZ2 3.44Å; I186-W220 VanDerWaalsContact CD1-CZ2 3.44Å; I186-W220 HydrophobicContact CD1-CZ3 3.05Å; I186-W220 HydrophobicContact CG1-CE3 4.43Å; I186-W220 HydrophobicContact CG1-CH2 3.07Å; I186-W220 HydrophobicContact CG1-CZ2 3.89Å; I186-W220 HydrophobicContact CG1-CZ3 3.44Å; I186-W220 VanDerWaalsContact CG1-CZ3 3.44Å; I186-W220 HydrophobicContact CG2-CH2 4.2Å; I186-W220 HydrophobicContact CG2-CZ3 3.69Å; F207-W220 HydrophobicContact CD1-CH2 4.07Å; F207-W220 HydrophobicContact CD1-CZ2 4.19Å; F207-W220 AromaticContact CD2-CH2 3.7Å; F207-W220 HydrophobicContact CD2-CH2 3.7Å; F207-W220 HydrophobicContact CD2-CZ2 4.26Å; F207-W220 AromaticContact CE1-CH2 3.48Å; F207-W220 HydrophobicContact CE1-CH2 3.48Å; F207-W220 VanDerWaalsContact CE1-CH2 3.48Å; F207-W220 AromaticContact CE1-CZ2 3.92Å; F207-W220 HydrophobicContact CE1-CZ2 3.92Å; F207-W220 AromaticContact CE1-CZ3 3.92Å; F207-W220 HydrophobicContact CE1-CZ3 3.92Å; F207-W220 AromaticContact CE2-CH2 3.16Å; F207-W220 HydrophobicContact CE2-CH2 3.16Å; F207-W220 HydrophobicContact CE2-CZ2 4.1Å; F207-W220 AromaticContact CE2-CZ3 3.77Å; F207-W220 HydrophobicContact CE2-CZ3 3.77Å; F207-W220 HydrophobicContact CG-CH2 4.13Å; F207-W220 HydrophobicContact CG-CZ2 4.31Å; F207-W220 HydrophobicContact CZ-CE3 4.37Å; F207-W220 AromaticContact CZ-CH2 2.97Å; F207-W220 HydrophobicContact CZ-CH2 2.97Å; F207-W220 AromaticContact CZ-CZ2 3.87Å; F207-W220 HydrophobicContact CZ-CZ2 3.87Å; F207-W220 AromaticContact CZ-CZ3 3.26Å; F207-W220 HydrophobicContact CZ-CZ3 3.26Å; L218-W220 HydrophobicContact CD1-CZ2 4.43Å
221	S	61.6	Low	47.1	Very low	44 Å²	44	81.4 Å²	81.4	31%	0.308	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	109.8	170.6	-169	0	0	0	0	108.2	Y56 F57 N223	Y56-S221 WeakPolarHBondContact CA-O 3.48Å; Y56-S221 WeakPolarHBondContact CB-O 3.49Å; F57-S221 PolarHBondContact N-O 3.43Å; F57-S221 PolarHBondContact O-N 2.91Å; S221-N223 PolarHBondContact O-N 3.14Å
222	L	52.6	Low	46.8	Very low	44 Å²	44	81.2 Å²	81.2	23%	0.23	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	126.9	170.8	-73.7	164.3	0	0	0	108.8	Y91 Y92	Y91-L222 HydrophobicContact CD2-CD1 4.47Å; Y92-L222 HydrophobicContact CD1-CD2 4.22Å; Y92-L222 HydrophobicContact CD2-CD2 3.9Å; Y92-L222 HydrophobicContact CE1-CD2 4.21Å; Y92-L222 HydrophobicContact CE2-CD2 3.89Å; Y92-L222 HydrophobicContact CG-CD2 4.08Å
223	N	45.6	Very low	46.7	Very low	54 Å²	54	79.7 Å²	79.7	29%	0.289	42%	0.416	S	S	.	.			trans	-77	127.9	169.3	-83.1	-33.5	0	0	0	108.4	E55 F57 S221 I225	E55-N223 PolarHBondContact O-N 3.26Å; F57-N223 VanDerWaalsContact CD2-ND2 3.29Å; F57-N223 WeakPolarHBondContact CD2-ND2 3.18Å; F57-N223 VanDerWaalsContact CD2-OD1 3.23Å; F57-N223 WeakPolarHBondContact CD2-OD1 3.47Å; F57-N223 WeakPolarHBondContact CE2-ND2 3.46Å; F57-N223 WeakPolarHBondContact CE2-OD1 3.31Å; F57-N223 VanDerWaalsContact CZ-ND2 3.28Å; F57-N223 WeakPolarHBondContact CZ-ND2 3.3Å; S221-N223 PolarHBondContact O-N 3.14Å; N223-I225 PolarHBondContact O-N 3.18Å
224	R	36.9	Very low	46.3	Very low	212 Å²	212	82.5 Å²	82.5	80%	0.8	43%	0.431	S	S	*	.			trans	-67.6	112	153.4	-94.3	-172.3	-172.9	-176.9	4.8	105.9	Q226	R224-Q226 HydrophobicContact CB-CG 4.49Å; R224-Q226 PolarHBondContact O-N 3.05Å
225	I	30.5	Very low	45.9	Very low	108 Å²	108	84.9 Å²	84.9	55%	0.554	44%	0.438	S	S	*	.			trans	-60.7	96.5	146.1	-59.5	176.9	0	0	0	105	N223 K227	N223-I225 PolarHBondContact O-N 3.18Å; I225-K227 PolarHBondContact O-N 3.49Å
226	Q	26.3	Very low	45.1	Very low	158 Å²	158	86.1 Å²	86.1	74%	0.738	45%	0.448	S	S	*	.			trans	-60.5	123.5	168.1	-76.3	-166.3	-30.4	0	0	107.3	R224 V228	R224-Q226 HydrophobicContact CB-CG 4.49Å; R224-Q226 PolarHBondContact O-N 3.05Å; Q226-V228 PolarHBondContact O-N 2.75Å
227	K	23	Very low	43.9	Very low	180 Å²	180	92 Å²	92	78%	0.783	48%	0.478	S	S	*	.			trans	12.1	102	146.8	-91.5	178.3	169.5	-175.9	0	114.1	I225 V229	I225-K227 PolarHBondContact O-N 3.49Å; K227-V229 HydrophobicContact CB-CG2 3.98Å; K227-V229 HydrophobicContact CD-CG2 3.78Å; K227-V229 HydrophobicContact CG-CG2 4Å; K227-V229 PolarHBondContact O-N 2.78Å
228	V	24.5	Very low	42.2	Very low	111 Å²	111	97.5 Å²	97.5	67%	0.673	51%	0.506	S	S	*	.			trans	-74.9	89.7	143.6	-177.4	0	0	0	0	105.3	Q226	Q226-V228 PolarHBondContact O-N 2.75Å
229	V	22.4	Very low	40.2	Very low	112 Å²	112	105.6 Å²	105.6	68%	0.679	55%	0.548	S	S	*	.			trans	-82.9	114	155.7	167.9	0	0	0	0	105.5	K227	K227-V229 HydrophobicContact CB-CG2 3.98Å; K227-V229 HydrophobicContact CD-CG2 3.78Å; K227-V229 HydrophobicContact CG-CG2 4Å; K227-V229 PolarHBondContact O-N 2.78Å
230	S	30.9	Very low	38.1	Very low	152 Å²	152	108.5 Å²	108.5	100%	1.063	56%	0.562	S	S	*	*			trans	-150.1	0	145.1	65.2	0	0	0	0	107.7

Retrieved 230 of 230 residues in 128 ms (Link to these results)

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