A0AA82N7S9_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N7S9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 351 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	39.8	Very low	49.7	Very low	206 Å²	206	130.8 Å²	130.8	100%	1.015	65%	0.647	S	S	*	*				0	113.5	0	-78	173.9	176.3	0	0	108.4	Y3	M1-Y3 HydrophobicContact CB-CD2 4.13Å; M1-Y3 HydrophobicContact CB-CE2 3.93Å; M1-Y3 PolarHBondContact O-N 3.17Å; M1-Y3 HydrophobicContact SD-CE2 4.14Å
2	R	42.8	Very low	51.6	Low	243 Å²	243	125.7 Å²	125.7	92%	0.917	63%	0.631	S	S	*	*			trans	-77.1	100.9	166.5	-75.3	-179.7	175.2	177.5	-1.9	106.2	I4	R2-I4 PolarHBondContact O-N 3.1Å
3	Y	48	Very low	52.8	Low	178 Å²	178	121.5 Å²	121.5	70%	0.698	62%	0.616	S	S	*	*			trans	-71.4	103.2	172.7	-85.1	-87.4	0	0	0	107.9	M1 L5	M1-Y3 HydrophobicContact CB-CD2 4.13Å; M1-Y3 HydrophobicContact CB-CE2 3.93Å; M1-Y3 PolarHBondContact O-N 3.17Å; M1-Y3 HydrophobicContact SD-CE2 4.14Å; Y3-L5 PolarHBondContact O-N 3.43Å
4	I	46.8	Very low	53.8	Low	150 Å²	150	118 Å²	118	77%	0.769	61%	0.607	S	S	*	*			trans	-69	109.9	164.9	-59.9	170.5	0	0	0	104.5	R2 P6	R2-I4 PolarHBondContact O-N 3.1Å; I4-P6 WeakPolarHBondContact O-CD 3.36Å; I4-P6 VanDerWaalsContact O-N 3.15Å
5	L	48.2	Very low	54.7	Low	104 Å²	104	116.5 Å²	116.5	55%	0.545	60%	0.6	S	S	.	*			trans	-51.7	123.7	168.2	-94.9	114.7	0	0	0	107.1	Y3 S7	Y3-L5 PolarHBondContact O-N 3.43Å; L5-S7 PolarHBondContact O-N 2.98Å
6	P	47.5	Very low	55.8	Low	67 Å²	67	115.9 Å²	115.9	44%	0.435	60%	0.598	S	S	.	*			trans	-56.7	132	179.5	-18.8	28	0	0	0	108.5	I4 S8 F9	I4-P6 WeakPolarHBondContact O-CD 3.36Å; I4-P6 VanDerWaalsContact O-N 3.15Å; P6-S8 WeakPolarHBondContact CB-OG 3.45Å; P6-S8 PolarHBondContact O-N 3.2Å; P6-F9 HydrophobicContact CB-CD2 3.98Å; P6-F9 HydrophobicContact CB-CE2 4.49Å; P6-F9 HydrophobicContact CG-CD2 3.86Å; P6-F9 HydrophobicContact CG-CE2 4.13Å; P6-F9 PolarHBondContact O-N 3.09Å
7	S	54.1	Low	56.7	Low	93 Å²	93	114.2 Å²	114.2	65%	0.65	59%	0.593	S	S	*	*	H	α-helix	trans	-52.4	-24.9	179	55.7	0	0	0	0	112.7	L5 F9 L10 I11	L5-S7 PolarHBondContact O-N 2.98Å; S7-F9 VanDerWaalsContact C-N 3.26Å; S7-F9 PolarHBondContact O-N 3.1Å; S7-L10 PolarHBondContact O-N 2.83Å; S7-I11 PolarHBondContact O-N 3.15Å
8	S	52.8	Low	57.3	Low	73 Å²	73	112.5 Å²	112.5	51%	0.51	58%	0.584	S	S	.	*	H	α-helix	trans	-63.6	-20	173.6	59.1	0	0	0	0	115	P6 P12	P6-S8 WeakPolarHBondContact CB-OG 3.45Å; P6-S8 PolarHBondContact O-N 3.2Å; S8-P12 WeakPolarHBondContact O-CD 3.42Å; S8-P12 WeakPolarHBondContact O-CG 3.45Å
9	F	52.4	Low	57.6	Low	126 Å²	126	112.7 Å²	112.7	55%	0.553	59%	0.586	S	S	*	*	H	α-helix	trans	-93.8	-21.6	174.6	-75.3	-81.5	0	0	0	113.3	P6 S7 P12 T13	P6-F9 HydrophobicContact CB-CD2 3.98Å; P6-F9 HydrophobicContact CB-CE2 4.49Å; P6-F9 HydrophobicContact CG-CD2 3.86Å; P6-F9 HydrophobicContact CG-CE2 4.13Å; P6-F9 PolarHBondContact O-N 3.09Å; S7-F9 VanDerWaalsContact C-N 3.26Å; S7-F9 PolarHBondContact O-N 3.1Å; F9-P12 WeakPolarHBondContact O-CD 3.3Å; F9-T13 VanDerWaalsContact O-CG2 3.31Å; F9-T13 WeakPolarHBondContact O-CG2 3.37Å; F9-T13 PolarHBondContact O-N 2.96Å; F9-T13 PolarHBondContact O-OG1 2.85Å
10	L	53.9	Low	58	Low	88 Å²	88	111.6 Å²	111.6	46%	0.461	58%	0.58	S	S	.	*	H	α-helix	trans	-72.2	-34.8	176.3	-66	175.7	0	0	0	111.8	S7 T13 C14	S7-L10 PolarHBondContact O-N 2.83Å; L10-T13 WeakPolarHBondContact CA-OG1 3.49Å; L10-T13 PolarHBondContact O-OG1 2.99Å; L10-T13 VanDerWaalsContact O-OG1 3.04Å; L10-C14 VanDerWaalsContact O-CB 3.28Å; L10-C14 WeakPolarHBondContact O-CB 3.46Å; L10-C14 PolarHBondContact O-N 2.91Å; L10-C14 PolarHBondContact O-SG 3.38Å; L10-C14 VanDerWaalsContact O-SG 3.37Å
11	I	60.5	Low	58.4	Low	111 Å²	111	109.5 Å²	109.5	57%	0.569	57%	0.572	S	S	*	*	H	α-helix	trans	-67.3	-49.8	179.2	-59.4	165.2	0	0	0	111.5	S7 T13 C14 L15	S7-I11 PolarHBondContact O-N 3.15Å; I11-T13 VanDerWaalsContact C-N 3.34Å; I11-T13 PolarHBondContact O-N 2.86Å; I11-C14 PolarHBondContact O-N 3.35Å; I11-L15 HydrophobicContact CG2-CD1 3.81Å; I11-L15 HydrophobicContact CG2-CG 4.38Å; I11-L15 WeakPolarHBondContact O-CB 3.41Å; I11-L15 VanDerWaalsContact O-CG 3.24Å; I11-L15 WeakPolarHBondContact O-CG 3.35Å; I11-L15 PolarHBondContact O-N 2.81Å
12	P	72.5	Confident	59.5	Low	69 Å²	69	106.5 Å²	106.5	45%	0.448	55%	0.553	S	S	.	*	H	α-helix	trans	-60.9	-40.3	175.8	-23.6	32.4	0	0	0	113.1	S8 F9 L15 L16	S8-P12 WeakPolarHBondContact O-CD 3.42Å; S8-P12 WeakPolarHBondContact O-CG 3.45Å; F9-P12 WeakPolarHBondContact O-CD 3.3Å; P12-L15 PolarHBondContact O-N 3.37Å; P12-L16 VanDerWaalsContact O-CB 3.28Å; P12-L16 WeakPolarHBondContact O-CB 3.43Å; P12-L16 PolarHBondContact O-N 3.29Å
13	T	66.6	Low	60.4	Low	71 Å²	71	99.3 Å²	99.3	44%	0.436	53%	0.529	S	S	.	.	H	α-helix	trans	-69.2	-43.4	-180	49.3	0	0	0	0	111.6	F9 L10 I11 L16 V17	F9-T13 VanDerWaalsContact O-CG2 3.31Å; F9-T13 WeakPolarHBondContact O-CG2 3.37Å; F9-T13 PolarHBondContact O-N 2.96Å; F9-T13 PolarHBondContact O-OG1 2.85Å; L10-T13 WeakPolarHBondContact CA-OG1 3.49Å; L10-T13 PolarHBondContact O-OG1 2.99Å; L10-T13 VanDerWaalsContact O-OG1 3.04Å; I11-T13 VanDerWaalsContact C-N 3.34Å; I11-T13 PolarHBondContact O-N 2.86Å; T13-L16 PolarHBondContact O-N 3.22Å; T13-V17 VanDerWaalsContact O-CG2 3.27Å; T13-V17 WeakPolarHBondContact O-CG2 3.38Å; T13-V17 PolarHBondContact O-N 3.33Å
14	C	66.9	Low	61.2	Low	73 Å²	73	94.5 Å²	94.5	49%	0.493	52%	0.515	S	S	.	.	H	α-helix	trans	-60.8	-44.9	172.3	-78.2	0	0	0	0	112.1	L10 I11 L16 V17 I18	L10-C14 VanDerWaalsContact O-CB 3.28Å; L10-C14 WeakPolarHBondContact O-CB 3.46Å; L10-C14 PolarHBondContact O-N 2.91Å; L10-C14 PolarHBondContact O-SG 3.38Å; L10-C14 VanDerWaalsContact O-SG 3.37Å; I11-C14 PolarHBondContact O-N 3.35Å; C14-L16 VanDerWaalsContact C-N 3.35Å; C14-L16 PolarHBondContact O-N 2.98Å; C14-V17 PolarHBondContact O-N 2.96Å; C14-I18 WeakPolarHBondContact O-CB 3.48Å; C14-I18 WeakPolarHBondContact O-CD1 3.35Å; C14-I18 WeakPolarHBondContact O-CG1 3.14Å; C14-I18 PolarHBondContact O-N 3.39Å
15	L	68	Low	62.1	Low	96 Å²	96	89.6 Å²	89.6	50%	0.503	49%	0.49	S	S	.	.	H	α-helix	trans	-61.5	-42.8	176.8	-73.4	169.5	0	0	0	111.6	I11 P12 I18 L19	I11-L15 HydrophobicContact CG2-CD1 3.81Å; I11-L15 HydrophobicContact CG2-CG 4.38Å; I11-L15 WeakPolarHBondContact O-CB 3.41Å; I11-L15 VanDerWaalsContact O-CG 3.24Å; I11-L15 WeakPolarHBondContact O-CG 3.35Å; I11-L15 PolarHBondContact O-N 2.81Å; P12-L15 PolarHBondContact O-N 3.37Å; L15-I18 PolarHBondContact O-N 3.02Å; L15-L19 WeakPolarHBondContact O-CB 3.46Å; L15-L19 VanDerWaalsContact O-CG 3.23Å; L15-L19 WeakPolarHBondContact O-CG 3.3Å; L15-L19 PolarHBondContact O-N 2.91Å
16	L	71.8	Confident	63.2	Low	107 Å²	107	85.9 Å²	85.9	56%	0.56	47%	0.472	S	S	*	.	H	α-helix	trans	-61.8	-45.7	176.7	-167.6	81.6	0	0	0	111.4	P12 T13 C14 L19 L20	P12-L16 VanDerWaalsContact O-CB 3.28Å; P12-L16 WeakPolarHBondContact O-CB 3.43Å; P12-L16 PolarHBondContact O-N 3.29Å; T13-L16 PolarHBondContact O-N 3.22Å; C14-L16 VanDerWaalsContact C-N 3.35Å; C14-L16 PolarHBondContact O-N 2.98Å; L16-L19 PolarHBondContact O-N 3.05Å; L16-L20 HydrophobicContact CD2-CD1 4.3Å; L16-L20 HydrophobicContact CG-CD1 4Å; L16-L20 WeakPolarHBondContact O-CB 3.39Å; L16-L20 VanDerWaalsContact O-CG 3.24Å; L16-L20 WeakPolarHBondContact O-CG 3.39Å; L16-L20 PolarHBondContact O-N 3.28Å
17	V	71.3	Confident	64.3	Low	87 Å²	87	85.5 Å²	85.5	53%	0.527	47%	0.465	S	S	.	.	H	α-helix	trans	-64.3	-40.7	177.9	173.2	0	0	0	0	111.4	T13 C14 L20 T21	T13-V17 VanDerWaalsContact O-CG2 3.27Å; T13-V17 WeakPolarHBondContact O-CG2 3.38Å; T13-V17 PolarHBondContact O-N 3.33Å; C14-V17 PolarHBondContact O-N 2.96Å; V17-L20 PolarHBondContact O-N 3.4Å; V17-T21 HydrophobicContact CG1-CG2 4.44Å; V17-T21 WeakPolarHBondContact O-CB 3.39Å; V17-T21 VanDerWaalsContact O-CG2 3.28Å; V17-T21 WeakPolarHBondContact O-CG2 3.43Å; V17-T21 PolarHBondContact O-N 3.34Å; V17-T21 PolarHBondContact O-OG1 3.37Å
18	I	67.5	Low	65.2	Low	83 Å²	83	85.8 Å²	85.8	43%	0.426	45%	0.454	S	S	.	.	H	α-helix	trans	-65.8	-41	176.5	-67.7	164	0	0	0	111.1	C14 L15 T21 K22	C14-I18 WeakPolarHBondContact O-CB 3.48Å; C14-I18 WeakPolarHBondContact O-CD1 3.35Å; C14-I18 WeakPolarHBondContact O-CG1 3.14Å; C14-I18 PolarHBondContact O-N 3.39Å; L15-I18 PolarHBondContact O-N 3.02Å; I18-T21 WeakPolarHBondContact CA-OG1 3.39Å; I18-T21 PolarHBondContact O-OG1 3.48Å; I18-K22 HydrophobicContact CG2-CD 4.34Å; I18-K22 WeakPolarHBondContact O-CB 3.29Å; I18-K22 WeakPolarHBondContact O-CG 3.35Å; I18-K22 PolarHBondContact O-N 3.28Å; I18-K22 VanDerWaalsContact O-N 3.08Å
19	L	63.3	Low	66.3	Low	117 Å²	117	82.5 Å²	82.5	61%	0.613	43%	0.431	S	S	*	.	H	α-helix	trans	-66.1	-45.6	177.3	-73.8	167	0	0	0	111.4	L15 L16 T21 K22 F23	L15-L19 WeakPolarHBondContact O-CB 3.46Å; L15-L19 VanDerWaalsContact O-CG 3.23Å; L15-L19 WeakPolarHBondContact O-CG 3.3Å; L15-L19 PolarHBondContact O-N 2.91Å; L16-L19 PolarHBondContact O-N 3.05Å; L19-T21 PolarHBondContact O-N 3.05Å; L19-K22 PolarHBondContact O-N 3.31Å; L19-F23 VanDerWaalsContact O-CB 3.31Å; L19-F23 WeakPolarHBondContact O-CB 3.48Å; L19-F23 PolarHBondContact O-N 3.44Å
20	L	65.5	Low	67.8	Low	89 Å²	89	76.9 Å²	76.9	47%	0.466	41%	0.408	S	S	.	.	H	α-helix	trans	-62.6	-42.4	177.9	-73.4	168.1	0	0	0	112.1	L16 V17 F23 I24	L16-L20 HydrophobicContact CD2-CD1 4.3Å; L16-L20 HydrophobicContact CG-CD1 4Å; L16-L20 WeakPolarHBondContact O-CB 3.39Å; L16-L20 VanDerWaalsContact O-CG 3.24Å; L16-L20 WeakPolarHBondContact O-CG 3.39Å; L16-L20 PolarHBondContact O-N 3.28Å; V17-L20 PolarHBondContact O-N 3.4Å; L20-F23 WeakPolarHBondContact O-CB 3.36Å; L20-F23 PolarHBondContact O-N 2.8Å; L20-I24 VanDerWaalsContact O-CG1 3.25Å; L20-I24 WeakPolarHBondContact O-CG1 3.37Å; L20-I24 PolarHBondContact O-N 3.19Å
21	T	65.6	Low	69.2	Low	68 Å²	68	77.7 Å²	77.7	42%	0.417	41%	0.413	S	S	.	.	H	α-helix	trans	-66.6	-43.9	178.2	48.9	0	0	0	0	112.1	V17 I18 L19 F23 N25	V17-T21 HydrophobicContact CG1-CG2 4.44Å; V17-T21 WeakPolarHBondContact O-CB 3.39Å; V17-T21 VanDerWaalsContact O-CG2 3.28Å; V17-T21 WeakPolarHBondContact O-CG2 3.43Å; V17-T21 PolarHBondContact O-N 3.34Å; V17-T21 PolarHBondContact O-OG1 3.37Å; I18-T21 WeakPolarHBondContact CA-OG1 3.39Å; I18-T21 PolarHBondContact O-OG1 3.48Å; L19-T21 PolarHBondContact O-N 3.05Å; T21-F23 VanDerWaalsContact C-N 3.29Å; T21-F23 PolarHBondContact O-N 2.93Å; T21-N25 WeakPolarHBondContact O-CB 2.97Å; T21-N25 PolarHBondContact O-N 3Å; T21-N25 VanDerWaalsContact O-N 3.07Å; T21-N25 PolarHBondContact O-ND2 3.5Å
22	K	63.8	Low	70.2	Confident	144 Å²	144	74.9 Å²	74.9	63%	0.626	40%	0.397	S	S	*	.	H	α-helix	trans	-59.9	-40	173.4	-75.6	-177.9	178.7	-176	0	112.2	I18 L19 C26	I18-K22 HydrophobicContact CG2-CD 4.34Å; I18-K22 WeakPolarHBondContact O-CB 3.29Å; I18-K22 WeakPolarHBondContact O-CG 3.35Å; I18-K22 PolarHBondContact O-N 3.28Å; I18-K22 VanDerWaalsContact O-N 3.08Å; L19-K22 PolarHBondContact O-N 3.31Å; K22-C26 WeakPolarHBondContact O-CB 3.45Å; K22-C26 PolarHBondContact O-N 3.29Å; K22-C26 VanDerWaalsContact O-N 3.11Å
23	F	61	Low	70.7	Confident	91 Å²	91	71.8 Å²	71.8	40%	0.399	38%	0.377	S	S	.	.	H	α-helix	trans	-64.6	-53.1	178.8	-177.2	-89.4	0	0	0	112.2	L19 L20 T21 N25 C26 Q27 L193 N197	L19-F23 VanDerWaalsContact O-CB 3.31Å; L19-F23 WeakPolarHBondContact O-CB 3.48Å; L19-F23 PolarHBondContact O-N 3.44Å; L20-F23 WeakPolarHBondContact O-CB 3.36Å; L20-F23 PolarHBondContact O-N 2.8Å; T21-F23 VanDerWaalsContact C-N 3.29Å; T21-F23 PolarHBondContact O-N 2.93Å; F23-N25 VanDerWaalsContact C-N 3.28Å; F23-N25 PolarHBondContact O-N 3.23Å; F23-C26 WeakPolarHBondContact O-CB 3.19Å; F23-C26 PolarHBondContact O-N 3.34Å; F23-C26 VanDerWaalsContact O-N 3.13Å; F23-Q27 PolarHBondContact O-N 3.35Å; F23-Q27 VanDerWaalsContact O-N 3.13Å; F23-L193 HydrophobicContact CD2-CD1 3.59Å; F23-L193 HydrophobicContact CE2-CD1 3.37Å; F23-L193 HydrophobicContact CZ-CD1 4.31Å; F23-N197 VanDerWaalsContact CE2-OD1 3.29Å; F23-N197 WeakPolarHBondContact CE2-OD1 3.05Å
24	I	66	Low	71.4	Confident	78 Å²	78	72.9 Å²	72.9	40%	0.4	38%	0.375	S	S	.	.	H	α-helix	trans	-58.7	-42.7	-179.6	-67.7	165.4	0	0	0	110.3	L20 C26 F28	L20-I24 VanDerWaalsContact O-CG1 3.25Å; L20-I24 WeakPolarHBondContact O-CG1 3.37Å; L20-I24 PolarHBondContact O-N 3.19Å; I24-C26 PolarHBondContact O-N 3.42Å; I24-F28 WeakPolarHBondContact O-CB 3.37Å; I24-F28 PolarHBondContact O-N 3.47Å; I24-F28 VanDerWaalsContact O-N 3.09Å
25	N	65.8	Low	71.9	Confident	46 Å²	46	76.1 Å²	76.1	25%	0.246	39%	0.388	C	S	.	.	H	α-helix	trans	-65.1	-38.1	178.8	-69.8	-11.1	0	0	0	112.4	T21 F23 T29 I270	T21-N25 WeakPolarHBondContact O-CB 2.97Å; T21-N25 PolarHBondContact O-N 3Å; T21-N25 VanDerWaalsContact O-N 3.07Å; T21-N25 PolarHBondContact O-ND2 3.5Å; F23-N25 VanDerWaalsContact C-N 3.28Å; F23-N25 PolarHBondContact O-N 3.23Å; N25-T29 WeakPolarHBondContact O-CB 2.94Å; N25-T29 PolarHBondContact O-N 2.82Å; N25-T29 PolarHBondContact O-OG1 3.28Å; N25-I270 HydrophobicContact CB-CG1 4.33Å
26	C	69.9	Low	72.9	Confident	27 Å²	27	72.6 Å²	72.6	18%	0.182	37%	0.37	C	S	.	.	H	α-helix	trans	-63.9	-50.8	178.5	-166.5	0	0	0	0	111.4	K22 F23 I24 F28 T29 C30	K22-C26 WeakPolarHBondContact O-CB 3.45Å; K22-C26 PolarHBondContact O-N 3.29Å; K22-C26 VanDerWaalsContact O-N 3.11Å; F23-C26 WeakPolarHBondContact O-CB 3.19Å; F23-C26 PolarHBondContact O-N 3.34Å; F23-C26 VanDerWaalsContact O-N 3.13Å; I24-C26 PolarHBondContact O-N 3.42Å; C26-F28 PolarHBondContact O-N 3.43Å; C26-T29 PolarHBondContact O-N 3.32Å; C26-C30 PolarHBondContact O-N 3.31Å; C26-C30 VanDerWaalsContact O-N 3.13Å; C26-C30 PolarHBondContact O-SG 3.36Å; C26-C30 VanDerWaalsContact O-SG 3.33Å
27	Q	70.7	Confident	73.8	Confident	59 Å²	59	73.3 Å²	73.3	28%	0.276	37%	0.369	S	S	.	.	H	α-helix	trans	-64.6	-42.5	-177.7	-163.4	67.2	0.2	0	0	112.2	F23 T29 C30 D31 L193	F23-Q27 PolarHBondContact O-N 3.35Å; F23-Q27 VanDerWaalsContact O-N 3.13Å; Q27-T29 VanDerWaalsContact C-N 3.34Å; Q27-T29 PolarHBondContact O-N 3.2Å; Q27-C30 PolarHBondContact O-N 3.34Å; Q27-D31 PolarHBondContact O-N 3.25Å; Q27-L193 PolarHBondContact NE2-O 3.24Å; Q27-L193 PolarHBondContact OE1-O 3.06Å; Q27-L193 VanDerWaalsContact OE1-O 3.07Å
28	F	74.2	Confident	74.8	Confident	98 Å²	98	71.9 Å²	71.9	43%	0.43	36%	0.356	S	S	.	.	H	α-helix	trans	-64	-39.5	177.9	-172.9	-104.9	0	0	0	112.1	I24 C26 C30 D31 H32 M269	I24-F28 WeakPolarHBondContact O-CB 3.37Å; I24-F28 PolarHBondContact O-N 3.47Å; I24-F28 VanDerWaalsContact O-N 3.09Å; C26-F28 PolarHBondContact O-N 3.43Å; F28-C30 VanDerWaalsContact C-N 3.31Å; F28-C30 PolarHBondContact O-N 2.88Å; F28-D31 PolarHBondContact O-N 3.26Å; F28-H32 VanDerWaalsContact O-CB 3.24Å; F28-H32 WeakPolarHBondContact O-CB 3.4Å; F28-H32 PolarHBondContact O-N 3.07Å; F28-M269 HydrophobicContact CD1-CE 3.5Å; F28-M269 VanDerWaalsContact CD1-CE 3.5Å; F28-M269 HydrophobicContact CD1-CG 4.36Å; F28-M269 HydrophobicContact CD1-SD 3.41Å; F28-M269 WeakPolarHBondContact CD1-SD 3.35Å; F28-M269 HydrophobicContact CE1-CE 3.52Å; F28-M269 HydrophobicContact CE1-SD 3.96Å; F28-M269 HydrophobicContact CG-SD 4.44Å
29	T	75.5	Confident	76.1	Confident	4 Å²	4	71.6 Å²	71.6	3%	0.025	35%	0.353	C	S	.	.	H	α-helix	trans	-57.9	-47.1	174.3	-53.7	0	0	0	0	110.5	N25 C26 Q27 H32 I33 Y190 K266 M269	N25-T29 WeakPolarHBondContact O-CB 2.94Å; N25-T29 PolarHBondContact O-N 2.82Å; N25-T29 PolarHBondContact O-OG1 3.28Å; C26-T29 PolarHBondContact O-N 3.32Å; Q27-T29 VanDerWaalsContact C-N 3.34Å; Q27-T29 PolarHBondContact O-N 3.2Å; T29-H32 PolarHBondContact O-N 2.84Å; T29-I33 HydrophobicContact CG2-CD1 4.14Å; T29-I33 WeakPolarHBondContact O-CD1 3.35Å; T29-I33 VanDerWaalsContact O-CG1 3.22Å; T29-I33 WeakPolarHBondContact O-CG1 3.17Å; T29-I33 PolarHBondContact O-N 2.91Å; T29-I33 VanDerWaalsContact O-N 3.12Å; T29-Y190 HydrophobicContact CG2-CE1 4.46Å; T29-K266 HydrophobicContact CG2-CB 4.05Å; T29-M269 WeakPolarHBondContact CA-SD 3.5Å; T29-M269 HydrophobicContact CG2-SD 4.25Å; T29-M269 PolarHBondContact OG1-SD 2.91Å
30	C	84	Confident	77.6	Confident	9 Å²	9	72 Å²	72	6%	0.061	35%	0.349	C	S	.	.	H	α-helix	trans	-62.5	-47.2	-178.7	-68.9	0	0	0	0	112.8	C26 Q27 F28 H32 I33 K34 C192	C26-C30 PolarHBondContact O-N 3.31Å; C26-C30 VanDerWaalsContact O-N 3.13Å; C26-C30 PolarHBondContact O-SG 3.36Å; C26-C30 VanDerWaalsContact O-SG 3.33Å; Q27-C30 PolarHBondContact O-N 3.34Å; F28-C30 VanDerWaalsContact C-N 3.31Å; F28-C30 PolarHBondContact O-N 2.88Å; C30-H32 VanDerWaalsContact C-N 3.26Å; C30-H32 PolarHBondContact O-N 2.96Å; C30-I33 PolarHBondContact O-N 3.06Å; C30-K34 WeakPolarHBondContact O-CB 3.44Å; C30-K34 PolarHBondContact O-N 3.44Å; C30-C192 HydrophobicContact CB-CB 3.8Å; C30-C192 WeakPolarHBondContact CB-SG 3.2Å; C30-C192 WeakPolarHBondContact SG-CA 3.35Å; C30-C192 WeakPolarHBondContact SG-CB 3.44Å; C30-C192 CovalentContact SG-SG 2.02Å; C30-C192 PolarHBondContact SG-SG 2.98Å
31	D	82.2	Confident	79.1	Confident	105 Å²	105	71.8 Å²	71.8	56%	0.561	35%	0.348	S	S	*	.	H	α-helix	trans	-64.9	-32.1	177.6	-72	-27.8	0	0	0	112.4	Q27 F28	Q27-D31 PolarHBondContact O-N 3.25Å; F28-D31 PolarHBondContact O-N 3.26Å
32	H	81.2	Confident	80.6	Confident	52 Å²	52	72.8 Å²	72.8	24%	0.241	35%	0.35	C	S	.	.	H	α-helix	trans	-75.3	-31.4	-177.4	-172.3	-112.6	0	0	0	114.2	F28 T29 C30 G260 R261 M269	F28-H32 VanDerWaalsContact O-CB 3.24Å; F28-H32 WeakPolarHBondContact O-CB 3.4Å; F28-H32 PolarHBondContact O-N 3.07Å; T29-H32 PolarHBondContact O-N 2.84Å; C30-H32 VanDerWaalsContact C-N 3.26Å; C30-H32 PolarHBondContact O-N 2.96Å; H32-G260 PolarHBondContact CE1-O 2.77Å; H32-G260 PolarHBondContact ND1-O 3.4Å; H32-R261 WeakPolarHBondContact CE1-CG 3.31Å; H32-R261 PolarHBondContact CE1-NE 3.18Å; H32-R261 PolarHBondContact NE2-NE 3.48Å; H32-M269 HydrophobicContact CB-CE 3.46Å; H32-M269 VanDerWaalsContact CB-CE 3.46Å; H32-M269 VanDerWaalsContact CG-CE 3.47Å; H32-M269 WeakPolarHBondContact ND1-CE 3.49Å
33	I	83.8	Confident	82.2	Confident	4 Å²	4	68.7 Å²	68.7	2%	0.021	34%	0.34	C	S	.	.	H	α-helix	trans	-99.3	-12.7	179.8	69.4	-167.7	0	0	0	112.8	T29 C30 N35 V36 Y190 Y204	T29-I33 HydrophobicContact CG2-CD1 4.14Å; T29-I33 WeakPolarHBondContact O-CD1 3.35Å; T29-I33 VanDerWaalsContact O-CG1 3.22Å; T29-I33 WeakPolarHBondContact O-CG1 3.17Å; T29-I33 PolarHBondContact O-N 2.91Å; T29-I33 VanDerWaalsContact O-N 3.12Å; C30-I33 PolarHBondContact O-N 3.06Å; I33-N35 PolarHBondContact O-N 3.16Å; I33-V36 WeakPolarHBondContact O-CB 3.43Å; I33-V36 VanDerWaalsContact O-CG2 3.3Å; I33-V36 WeakPolarHBondContact O-CG2 3.22Å; I33-V36 PolarHBondContact O-N 3.2Å; I33-V36 VanDerWaalsContact O-N 3.08Å; I33-Y190 HydrophobicContact CD1-CD1 3.36Å; I33-Y190 HydrophobicContact CD1-CD2 3.29Å; I33-Y190 HydrophobicContact CD1-CE1 3.54Å; I33-Y190 HydrophobicContact CD1-CE2 3.47Å; I33-Y190 VanDerWaalsContact CD1-CE2 3.47Å; I33-Y190 HydrophobicContact CD1-CG 3.18Å; I33-Y190 HydrophobicContact CG1-CD2 4.31Å; I33-Y190 HydrophobicContact CG1-CE2 4.45Å; I33-Y190 HydrophobicContact CG1-CG 4.47Å; I33-Y204 HydrophobicContact CB-CD2 4.02Å
34	K	80.4	Confident	84	Confident	94 Å²	94	68.2 Å²	68.2	41%	0.409	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	133.4	178.5	-170	172.2	-174	161.8	0	109.5	C30 V36	C30-K34 WeakPolarHBondContact O-CB 3.44Å; C30-K34 PolarHBondContact O-N 3.44Å; K34-V36 PolarHBondContact O-N 2.88Å
35	N	78.7	Confident	85.5	Confident	141 Å²	141	68.6 Å²	68.6	75%	0.754	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	9.2	-178.7	-44.2	-50	0	0	0	115.4	I33 K37	I33-N35 PolarHBondContact O-N 3.16Å; N35-K37 PolarHBondContact O-N 2.83Å
36	V	88.9	Confident	86.9	Confident	21 Å²	21	70.4 Å²	70.4	13%	0.127	36%	0.363	C	S	.	.			trans	-60.1	124.9	170.1	171.8	0	0	0	0	108.5	I33 K34 H38 Y204 N205 R261	I33-V36 WeakPolarHBondContact O-CB 3.43Å; I33-V36 VanDerWaalsContact O-CG2 3.3Å; I33-V36 WeakPolarHBondContact O-CG2 3.22Å; I33-V36 PolarHBondContact O-N 3.2Å; I33-V36 VanDerWaalsContact O-N 3.08Å; K34-V36 PolarHBondContact O-N 2.88Å; V36-H38 WeakPolarHBondContact CG1-CE1 3.43Å; V36-Y204 HydrophobicContact CB-CD2 3.88Å; V36-Y204 HydrophobicContact CB-CE2 3.66Å; V36-Y204 HydrophobicContact CG1-CD2 4.18Å; V36-Y204 HydrophobicContact CG1-CE2 3.48Å; V36-Y204 VanDerWaalsContact CG1-CE2 3.48Å; V36-Y204 HydrophobicContact CG2-CE2 4.29Å; V36-N205 VanDerWaalsContact O-CA 3.23Å; V36-N205 WeakPolarHBondContact O-CA 3.3Å; V36-N205 PolarHBondContact O-N 3.4Å; V36-N205 VanDerWaalsContact O-N 3.09Å; V36-R261 HydrophobicContact CG2-CB 4.47Å
37	K	90.8	Very high	88.2	Confident	123 Å²	123	72.4 Å²	72.4	54%	0.535	37%	0.374	S	S	.	.			trans	-139.2	115.6	174.3	-173.8	-174.4	176.2	-158.7	0	108	N35 E39 N205	N35-K37 PolarHBondContact O-N 2.83Å; K37-E39 WeakPolarHBondContact CE-OE2 3.3Å; K37-E39 IonicContact NZ-OE2 2.81Å; K37-E39 PolarHBondContact NZ-OE2 3.43Å; K37-N205 WeakPolarHBondContact CA-OD1 3.39Å
38	H	91.5	Very high	89.5	Confident	57 Å²	57	72.6 Å²	72.6	26%	0.264	37%	0.373	S	S	.	.			trans	-104.1	123.2	172.1	-60.7	106.5	0	0	0	108.1	V36 H53 N205	V36-H38 WeakPolarHBondContact CG1-CE1 3.43Å; H38-H53 VanDerWaalsContact O-CA 3.3Å; H38-H53 WeakPolarHBondContact O-CA 3.38Å; H38-H53 WeakPolarHBondContact O-CB 3.37Å; H38-H53 PolarHBondContact O-ND1 3.38Å; H38-N205 PolarHBondContact N-OD1 3.13Å
39	E	94.9	Very high	90.6	Very high	77 Å²	77	69 Å²	69	36%	0.36	36%	0.356	S	S	.	.			trans	-150.9	118.9	174.6	176.3	168.2	-142	0	0	109	K37 R49 D52 H53	K37-E39 WeakPolarHBondContact CE-OE2 3.3Å; K37-E39 IonicContact NZ-OE2 2.81Å; K37-E39 PolarHBondContact NZ-OE2 3.43Å; E39-R49 IonicContact OE1-CZ 2.77Å; E39-R49 IonicContact OE1-NH2 2.76Å; E39-R49 PolarHBondContact OE1-NH2 3.18Å; E39-D52 CarbonylContact C-O 3.58Å; E39-D52 WeakPolarHBondContact CA-O 3.43Å; E39-H53 IonicContact OE1-CE1 3.53Å
40	K	95.3	Very high	91.8	Very high	124 Å²	124	71.6 Å²	71.6	54%	0.539	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	110	171.9	-178.8	175	-177.5	167.3	0	108.9	I42 S51 D52	K40-I42 PolarHBondContact O-N 3.06Å; K40-S51 CarbonylContact O-C 3.59Å; K40-S51 VanDerWaalsContact O-CA 3.25Å; K40-S51 WeakPolarHBondContact O-CA 3.48Å; K40-D52 HydrophobicContact CB-CB 4.4Å; K40-D52 PolarHBondContact N-O 3.07Å; K40-D52 PolarHBondContact O-N 3.38Å
41	I	97.5	Very high	92.4	Very high	86 Å²	86	71.2 Å²	71.2	44%	0.441	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	121.2	173.8	-57.5	170.9	0	0	0	107.9	E44	I41-E44 HydrophobicContact CG2-CB 3.85Å
42	I	97.2	Very high	93.1	Very high	89 Å²	89	67.2 Å²	67.2	46%	0.456	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-41.3	-179.8	-65.2	169.1	0	0	0	110	K40 Y50 D52 F57	K40-I42 PolarHBondContact O-N 3.06Å; I42-Y50 HydrophobicContact CB-CD1 3.68Å; I42-Y50 HydrophobicContact CB-CE1 4.18Å; I42-Y50 HydrophobicContact CD1-CD1 3.78Å; I42-Y50 HydrophobicContact CD1-CE1 3.42Å; I42-Y50 VanDerWaalsContact CD1-CE1 3.42Å; I42-Y50 HydrophobicContact CG1-CD1 4.31Å; I42-Y50 HydrophobicContact CG1-CE1 4.39Å; I42-Y50 HydrophobicContact CG2-CD1 3.72Å; I42-Y50 HydrophobicContact CG2-CE1 4.07Å; I42-Y50 PolarHBondContact N-O 3.36Å; I42-D52 HydrophobicContact CD1-CB 4.06Å; I42-F57 HydrophobicContact CD1-CE1 4.41Å
43	S	97.9	Very high	93.9	Very high	58 Å²	58	64.8 Å²	64.8	41%	0.406	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	136.5	177.8	179.9	0	0	0	0	109.8	R49 Y50	S43-R49 CarbonylContact O-C 3.32Å; S43-R49 WeakPolarHBondContact O-CA 3.46Å; S43-Y50 PolarHBondContact N-O 2.02Å; S43-Y50 PolarHBondContact O-N 2.8Å
44	E	98	Very high	94.4	Very high	81 Å²	81	64.9 Å²	64.9	38%	0.379	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	139.3	178	-175.2	168	158.5	0	0	111.1	I41 Y48 R49	I41-E44 HydrophobicContact CG2-CB 3.85Å; E44-Y48 CarbonylContact C-O 3.6Å; E44-Y48 WeakPolarHBondContact CA-O 3.43Å; E44-R49 HydrophobicContact CB-CG 4.37Å; E44-R49 HydrophobicContact CG-CB 4.19Å; E44-R49 HydrophobicContact CG-CG 4.17Å; E44-R49 IonicContact OE1-NH1 3.8Å; E44-R49 PolarHBondContact OE1-NH1 3.09Å; E44-R49 WeakPolarHBondContact OE2-CD 3.2Å; E44-R49 IonicContact OE2-CZ 3.48Å; E44-R49 IonicContact OE2-NE 2.73Å; E44-R49 IonicContact OE2-NH1 3.54Å; E44-R49 PolarHBondContact OE2-NH1 3.21Å
45	N	97	Very high	95.2	Very high	85 Å²	85	60.5 Å²	60.5	46%	0.455	31%	0.312	S	S	.	.			trans	-145.5	-170.8	167.7	68.5	43	0	0	0	109.4	T47 Y48	N45-T47 PolarHBondContact O-N 3.34Å; N45-T47 PolarHBondContact OD1-N 3.37Å; N45-T47 PolarHBondContact OD1-OG1 2.93Å; N45-Y48 PolarHBondContact N-O 3.43Å; N45-Y48 VanDerWaalsContact O-O 3.13Å; N45-Y48 WeakPolarHBondContact OD1-CB 2.96Å; N45-Y48 PolarHBondContact OD1-N 3.01Å
46	A	95.6	Very high	96.1	Very high	84 Å²	84	53.9 Å²	53.9	69%	0.694	28%	0.276	S	S	*	.	S	Bend	trans	-63.4	-23.6	-176	0	0	0	0	0	115.1	L62	A46-L62 WeakPolarHBondContact O-CD1 3.46Å
47	T	96.5	Very high	96.5	Very high	69 Å²	69	54.5 Å²	54.5	42%	0.423	28%	0.278	S	S	.	.	S	Bend	trans	-121.2	-3.4	-175	62.4	0	0	0	0	114.5	N45 L62	N45-T47 PolarHBondContact O-N 3.34Å; N45-T47 PolarHBondContact OD1-N 3.37Å; N45-T47 PolarHBondContact OD1-OG1 2.93Å; T47-L62 HydrophobicContact CG2-CB 4.45Å; T47-L62 HydrophobicContact CG2-CD1 4.19Å; T47-L62 PolarHBondContact O-N 2.93Å
48	Y	98.2	Very high	96.9	Very high	64 Å²	64	48.7 Å²	48.7	25%	0.251	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	139.3	-173.4	178.2	-95.4	0	0	0	111.4	E44 N45 Y50 T59 I60 R61	E44-Y48 CarbonylContact C-O 3.6Å; E44-Y48 WeakPolarHBondContact CA-O 3.43Å; N45-Y48 PolarHBondContact N-O 3.43Å; N45-Y48 VanDerWaalsContact O-O 3.13Å; N45-Y48 WeakPolarHBondContact OD1-CB 2.96Å; N45-Y48 PolarHBondContact OD1-N 3.01Å; Y48-Y50 WeakPolarHBondContact OH-CB 3.02Å; Y48-T59 HydrophobicContact CE2-CG2 3.73Å; Y48-I60 VanDerWaalsContact CA-O 3.32Å; Y48-I60 WeakPolarHBondContact CA-O 3.43Å; Y48-R61 HydrophobicContact CD2-CG 3.98Å; Y48-R61 HydrophobicContact CE2-CG 4.25Å
49	R	98.6	Very high	97.3	Very high	21 Å²	21	46.5 Å²	46.5	8%	0.079	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	136.4	168.8	-178.3	-178.7	174.6	130.4	-12.2	110.3	E39 S43 E44 T59 I60 P210 F213	E39-R49 IonicContact OE1-CZ 2.77Å; E39-R49 IonicContact OE1-NH2 2.76Å; E39-R49 PolarHBondContact OE1-NH2 3.18Å; S43-R49 CarbonylContact O-C 3.32Å; S43-R49 WeakPolarHBondContact O-CA 3.46Å; E44-R49 HydrophobicContact CB-CG 4.37Å; E44-R49 HydrophobicContact CG-CB 4.19Å; E44-R49 HydrophobicContact CG-CG 4.17Å; E44-R49 IonicContact OE1-NH1 3.8Å; E44-R49 PolarHBondContact OE1-NH1 3.09Å; E44-R49 WeakPolarHBondContact OE2-CD 3.2Å; E44-R49 IonicContact OE2-CZ 3.48Å; E44-R49 IonicContact OE2-NE 2.73Å; E44-R49 IonicContact OE2-NH1 3.54Å; E44-R49 PolarHBondContact OE2-NH1 3.21Å; R49-T59 CarbonylContact O-C 3.55Å; R49-T59 WeakPolarHBondContact O-CA 3.32Å; R49-I60 HydrophobicContact CB-CB 4.24Å; R49-I60 HydrophobicContact CB-CD1 4.45Å; R49-I60 HydrophobicContact CB-CG1 4.46Å; R49-I60 PolarHBondContact N-O 3.2Å; R49-I60 PolarHBondContact O-N 3.18Å; R49-P210 VanDerWaalsContact CZ-CG 3.44Å; R49-F213 HydrophobicContact CB-CE1 4.48Å; R49-F213 HydrophobicContact CB-CE2 4.07Å; R49-F213 HydrophobicContact CB-CZ 3.88Å
50	Y	98.7	Very high	97.4	Very high	60 Å²	60	42.9 Å²	42.9	24%	0.235	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	128.4	171.8	-178.2	-123.6	0	0	0	110.3	I42 S43 Y48 F57 Q58 T59	I42-Y50 HydrophobicContact CB-CD1 3.68Å; I42-Y50 HydrophobicContact CB-CE1 4.18Å; I42-Y50 HydrophobicContact CD1-CD1 3.78Å; I42-Y50 HydrophobicContact CD1-CE1 3.42Å; I42-Y50 VanDerWaalsContact CD1-CE1 3.42Å; I42-Y50 HydrophobicContact CG1-CD1 4.31Å; I42-Y50 HydrophobicContact CG1-CE1 4.39Å; I42-Y50 HydrophobicContact CG2-CD1 3.72Å; I42-Y50 HydrophobicContact CG2-CE1 4.07Å; I42-Y50 PolarHBondContact N-O 3.36Å; S43-Y50 PolarHBondContact N-O 2.02Å; S43-Y50 PolarHBondContact O-N 2.8Å; Y48-Y50 WeakPolarHBondContact OH-CB 3.02Å; Y50-F57 HydrophobicContact CE2-CB 3.8Å; Y50-F57 HydrophobicContact CE2-CD1 4.21Å; Y50-F57 HydrophobicContact CE2-CG 4.2Å; Y50-F57 AromaticContact CZ-CD1 3.85Å; Y50-F57 VanDerWaalsContact OH-CD1 3.31Å; Y50-F57 WeakPolarHBondContact OH-CD1 3.3Å; Y50-F57 WeakPolarHBondContact OH-CG 3.06Å; Y50-Q58 WeakPolarHBondContact CA-O 3.16Å; Y50-T59 VanDerWaalsContact CD2-OG1 3.31Å; Y50-T59 WeakPolarHBondContact CD2-OG1 3.44Å
51	S	98.3	Very high	97.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	145.3	-173.4	47.1	0	0	0	0	112.5	K40 H53 F57 Q58	K40-S51 CarbonylContact O-C 3.59Å; K40-S51 VanDerWaalsContact O-CA 3.25Å; K40-S51 WeakPolarHBondContact O-CA 3.48Å; S51-H53 WeakPolarHBondContact CB-NE2 3.38Å; S51-H53 PolarHBondContact OG-NE2 2.84Å; S51-F57 CarbonylContact O-C 3.59Å; S51-F57 WeakPolarHBondContact O-CA 3.49Å; S51-Q58 PolarHBondContact N-O 3.49Å; S51-Q58 PolarHBondContact O-N 3.25Å
52	D	96.8	Very high	97.5	Very high	22 Å²	22	37.2 Å²	37.2	12%	0.118	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	123.6	172.7	-175.8	-11	0	0	0	109.1	E39 K40 I42 Y54 F57 N225 K243	E39-D52 CarbonylContact C-O 3.58Å; E39-D52 WeakPolarHBondContact CA-O 3.43Å; K40-D52 HydrophobicContact CB-CB 4.4Å; K40-D52 PolarHBondContact N-O 3.07Å; K40-D52 PolarHBondContact O-N 3.38Å; I42-D52 HydrophobicContact CD1-CB 4.06Å; D52-Y54 PolarHBondContact OD1-N 3.28Å; D52-F57 HydrophobicContact CB-CD1 3.86Å; D52-F57 HydrophobicContact CB-CE1 3.72Å; D52-N225 PolarHBondContact OD1-ND2 3.42Å; D52-N225 PolarHBondContact OD2-ND2 3.46Å; D52-K243 IonicContact OD2-NZ 3.75Å
53	H	96.5	Very high	97.4	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	21%	0.209	C	C	.	.			trans	-117.6	32.4	177.7	-60.2	-97.1	0	0	0	111.8	H38 E39 S51 E55 Y56 N205 I207	H38-H53 VanDerWaalsContact O-CA 3.3Å; H38-H53 WeakPolarHBondContact O-CA 3.38Å; H38-H53 WeakPolarHBondContact O-CB 3.37Å; H38-H53 PolarHBondContact O-ND1 3.38Å; E39-H53 IonicContact OE1-CE1 3.53Å; S51-H53 WeakPolarHBondContact CB-NE2 3.38Å; S51-H53 PolarHBondContact OG-NE2 2.84Å; H53-E55 VanDerWaalsContact C-N 3.28Å; H53-E55 PolarHBondContact O-N 3.24Å; H53-Y56 WeakPolarHBondContact CA-O 3.47Å; H53-Y56 WeakPolarHBondContact CB-O 3.16Å; H53-Y56 PolarHBondContact N-O 3.32Å; H53-N205 PolarHBondContact O-ND2 2.68Å; H53-I207 HydrophobicContact CB-CD1 3.52Å; H53-I207 HydrophobicContact CB-CG1 3.66Å; H53-I207 HydrophobicContact CB-CG2 4.43Å
54	Y	95.3	Very high	97.3	Very high	6 Å²	6	40 Å²	40	2%	0.024	21%	0.205	C	C	.	.	S	Bend	trans	65.7	-62.8	-178.9	-172.1	-86.3	0	0	0	114.8	D52 N225 S228 C229 F230 M246 N259 D262	D52-Y54 PolarHBondContact OD1-N 3.28Å; Y54-N225 VanDerWaalsContact O-CB 3.25Å; Y54-N225 WeakPolarHBondContact O-CB 3.46Å; Y54-N225 PolarHBondContact O-ND2 3.15Å; Y54-S228 VanDerWaalsContact O-CB 3.25Å; Y54-S228 WeakPolarHBondContact O-CB 3.47Å; Y54-S228 PolarHBondContact O-OG 3.3Å; Y54-C229 WeakPolarHBondContact OH-CB 3.25Å; Y54-F230 HydrophobicContact CD1-CD1 4.22Å; Y54-F230 HydrophobicContact CD1-CE1 4.29Å; Y54-F230 AromaticContact CE1-CD1 3.55Å; Y54-F230 HydrophobicContact CE1-CD1 3.55Å; Y54-F230 HydrophobicContact CE1-CE1 4.07Å; Y54-F230 HydrophobicContact CE1-CG 4.49Å; Y54-M246 HydrophobicContact CD2-CG 4.11Å; Y54-M246 HydrophobicContact CD2-SD 3.28Å; Y54-M246 WeakPolarHBondContact CD2-SD 3.48Å; Y54-M246 HydrophobicContact CE2-CE 4.42Å; Y54-M246 HydrophobicContact CE2-CG 3.73Å; Y54-M246 HydrophobicContact CE2-SD 3.19Å; Y54-M246 WeakPolarHBondContact CE2-SD 3.49Å; Y54-N259 HydrophobicContact CE2-CB 4.34Å; Y54-N259 WeakPolarHBondContact CE2-ND2 3.42Å; Y54-N259 VanDerWaalsContact OH-CG 3.24Å; Y54-N259 PolarHBondContact OH-ND2 3.21Å; Y54-N259 PolarHBondContact OH-OD1 3.36Å; Y54-D262 HydrophobicContact CD1-CB 4.45Å; Y54-D262 HydrophobicContact CE1-CB 3.38Å; Y54-D262 WeakPolarHBondContact OH-CB 3.48Å; Y54-D262 PolarHBondContact OH-OD2 3.07Å
55	E	96.3	Very high	97.1	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.221	C	C	.	.	S	Bend	trans	-81.4	-27	175.5	-73	84.2	-169.7	0	0	113.7	H53 Y92 Y204 N205 N225 F230 T263	H53-E55 VanDerWaalsContact C-N 3.28Å; H53-E55 PolarHBondContact O-N 3.24Å; E55-Y92 HydrophobicContact CB-CD1 3.66Å; E55-Y92 HydrophobicContact CB-CE1 3.99Å; E55-Y92 HydrophobicContact CB-CG 4.27Å; E55-Y92 HydrophobicContact CG-CD1 3.54Å; E55-Y92 HydrophobicContact CG-CE1 4.17Å; E55-Y92 HydrophobicContact CG-CG 4.3Å; E55-Y204 WeakPolarHBondContact OE1-CE1 3.32Å; E55-Y204 PolarHBondContact OE1-OH 3.13Å; E55-N205 PolarHBondContact OE2-ND2 3.46Å; E55-N225 PolarHBondContact O-N 2.83Å; E55-F230 HydrophobicContact CB-CE1 4.15Å; E55-F230 HydrophobicContact CB-CZ 3.94Å; E55-F230 HydrophobicContact CG-CD1 4.35Å; E55-F230 HydrophobicContact CG-CE1 3.69Å; E55-F230 HydrophobicContact CG-CE2 4.26Å; E55-F230 HydrophobicContact CG-CZ 3.64Å; E55-T263 HydrophobicContact CG-CG2 4.07Å
56	Y	98.2	Very high	96.8	Very high	3 Å²	3	40.8 Å²	40.8	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	146.1	-178.4	-73.3	-92.4	0	0	0	111.4	H53 Y92 M166 I186 I207 F222 E223 P224	H53-Y56 WeakPolarHBondContact CA-O 3.47Å; H53-Y56 WeakPolarHBondContact CB-O 3.16Å; H53-Y56 PolarHBondContact N-O 3.32Å; Y56-Y92 HydrophobicContact CD2-CD2 4.19Å; Y56-Y92 HydrophobicContact CD2-CE2 4.01Å; Y56-Y92 AromaticContact CE2-CD2 3.45Å; Y56-Y92 HydrophobicContact CE2-CD2 3.45Å; Y56-Y92 VanDerWaalsContact CE2-CD2 3.45Å; Y56-Y92 AromaticContact CE2-CE2 3.65Å; Y56-Y92 HydrophobicContact CE2-CE2 3.65Å; Y56-Y92 AromaticContact CE2-CG 3.92Å; Y56-Y92 HydrophobicContact CE2-CG 3.92Å; Y56-Y92 PolarHBondContact OH-N 3.09Å; Y56-Y92 VanDerWaalsContact OH-N 3.11Å; Y56-M166 HydrophobicContact CD1-CE 4.36Å; Y56-M166 HydrophobicContact CE1-CE 3.66Å; Y56-I186 HydrophobicContact CD2-CD1 4.36Å; Y56-I207 HydrophobicContact CD2-CD1 4.16Å; Y56-I207 HydrophobicContact CG-CD1 4.3Å; Y56-F222 HydrophobicContact CD1-CB 3.81Å; Y56-F222 HydrophobicContact CE1-CB 4.37Å; Y56-F222 HydrophobicContact CG-CB 4.4Å; Y56-E223 CarbonylContact C-O 3.58Å; Y56-E223 VanDerWaalsContact CA-O 3.26Å; Y56-E223 WeakPolarHBondContact CA-O 3.33Å; Y56-E223 VanDerWaalsContact CD1-C 3.44Å; Y56-P224 HydrophobicContact CD1-CG 4.33Å; Y56-P224 HydrophobicContact CE1-CB 4.35Å; Y56-P224 HydrophobicContact CE1-CG 3.75Å
57	F	98.3	Very high	96.5	Very high	34 Å²	34	38.2 Å²	38.2	15%	0.149	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	138.6	153.8	-63	-70.9	0	0	0	109.4	I42 Y50 S51 D52 F222 E223 N225	I42-F57 HydrophobicContact CD1-CE1 4.41Å; Y50-F57 HydrophobicContact CE2-CB 3.8Å; Y50-F57 HydrophobicContact CE2-CD1 4.21Å; Y50-F57 HydrophobicContact CE2-CG 4.2Å; Y50-F57 AromaticContact CZ-CD1 3.85Å; Y50-F57 VanDerWaalsContact OH-CD1 3.31Å; Y50-F57 WeakPolarHBondContact OH-CD1 3.3Å; Y50-F57 WeakPolarHBondContact OH-CG 3.06Å; S51-F57 CarbonylContact O-C 3.59Å; S51-F57 WeakPolarHBondContact O-CA 3.49Å; D52-F57 HydrophobicContact CB-CD1 3.86Å; D52-F57 HydrophobicContact CB-CE1 3.72Å; F57-F222 CarbonylContact O-C 3.53Å; F57-F222 WeakPolarHBondContact O-CA 3.29Å; F57-E223 PolarHBondContact N-O 2.73Å; F57-E223 PolarHBondContact O-N 3.24Å; F57-N225 HydrophobicContact CD2-CB 4.04Å; F57-N225 HydrophobicContact CE2-CB 3.81Å; F57-N225 WeakPolarHBondContact CE2-OD1 3.32Å; F57-N225 HydrophobicContact CZ-CB 4.29Å; F57-N225 VanDerWaalsContact CZ-CG 3.44Å; F57-N225 WeakPolarHBondContact CZ-ND2 3.24Å; F57-N225 WeakPolarHBondContact CZ-OD1 3.35Å
58	Q	98.6	Very high	96	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124.5	172.1	-177.9	-170.7	59.9	0	0	109.1	Y50 S51 I60 I207 Q208 V220 E221 F222	Y50-Q58 WeakPolarHBondContact CA-O 3.16Å; S51-Q58 PolarHBondContact N-O 3.49Å; S51-Q58 PolarHBondContact O-N 3.25Å; Q58-I60 HydrophobicContact CG-CD1 4.43Å; Q58-I60 HydrophobicContact CG-CG1 4.08Å; Q58-I207 HydrophobicContact CB-CG2 4.41Å; Q58-Q208 PolarHBondContact NE2-O 3.08Å; Q58-V220 HydrophobicContact CG-CG1 4.27Å; Q58-E221 CarbonylContact C-O 3.56Å; Q58-E221 WeakPolarHBondContact CA-O 3.44Å; Q58-F222 HydrophobicContact CB-CD1 4.17Å; Q58-F222 HydrophobicContact CB-CE1 4.27Å; Q58-F222 HydrophobicContact CG-CD1 4.11Å; Q58-F222 HydrophobicContact CG-CE1 3.83Å; Q58-F222 VanDerWaalsContact NE2-CE1 3.34Å
59	T	98.7	Very high	95.4	Very high	12 Å²	12	39.9 Å²	39.9	7%	0.074	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.2	170.7	-51.6	0	0	0	0	109.6	Y48 R49 Y50 R61 V220 E221	Y48-T59 HydrophobicContact CE2-CG2 3.73Å; R49-T59 CarbonylContact O-C 3.55Å; R49-T59 WeakPolarHBondContact O-CA 3.32Å; Y50-T59 VanDerWaalsContact CD2-OG1 3.31Å; Y50-T59 WeakPolarHBondContact CD2-OG1 3.44Å; T59-R61 HydrophobicContact CG2-CG 4.23Å; T59-V220 CarbonylContact O-C 3.57Å; T59-V220 WeakPolarHBondContact O-CA 3.48Å; T59-E221 PolarHBondContact N-O 2.67Å; T59-E221 PolarHBondContact O-N 3.08Å
60	I	98.5	Very high	94.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.4	176.7	-49.3	-178.6	0	0	0	108.3	Y48 R49 Q58 I209 P210 F213 T218 L219 V220	Y48-I60 VanDerWaalsContact CA-O 3.32Å; Y48-I60 WeakPolarHBondContact CA-O 3.43Å; R49-I60 HydrophobicContact CB-CB 4.24Å; R49-I60 HydrophobicContact CB-CD1 4.45Å; R49-I60 HydrophobicContact CB-CG1 4.46Å; R49-I60 PolarHBondContact N-O 3.2Å; R49-I60 PolarHBondContact O-N 3.18Å; Q58-I60 HydrophobicContact CG-CD1 4.43Å; Q58-I60 HydrophobicContact CG-CG1 4.08Å; I60-I209 HydrophobicContact CD1-CG2 4.13Å; I60-P210 HydrophobicContact CD1-CG 4.36Å; I60-F213 HydrophobicContact CB-CD1 4.31Å; I60-F213 HydrophobicContact CD1-CB 4.35Å; I60-F213 HydrophobicContact CD1-CD2 4.47Å; I60-F213 HydrophobicContact CD1-CG 4.35Å; I60-F213 HydrophobicContact CG2-CB 3.82Å; I60-F213 HydrophobicContact CG2-CD1 3.53Å; I60-F213 HydrophobicContact CG2-CE1 4.3Å; I60-F213 HydrophobicContact CG2-CG 3.81Å; I60-T218 HydrophobicContact CG2-CG2 3.65Å; I60-L219 WeakPolarHBondContact CA-O 3.19Å; I60-V220 HydrophobicContact CG1-CG1 4.29Å; I60-V220 HydrophobicContact CG1-CG2 4.15Å; I60-V220 HydrophobicContact CG2-CG2 3.95Å
61	R	98.2	Very high	93.6	Very high	82 Å²	82	43.3 Å²	43.3	31%	0.309	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	130.8	176.2	-52.2	-167.1	-176.1	84.6	0.1	109.6	Y48 T59 Q64 T218 L219 E221	Y48-R61 HydrophobicContact CD2-CG 3.98Å; Y48-R61 HydrophobicContact CE2-CG 4.25Å; T59-R61 HydrophobicContact CG2-CG 4.23Å; R61-Q64 HydrophobicContact CB-CG 3.61Å; R61-T218 WeakPolarHBondContact O-CA 3.45Å; R61-L219 PolarHBondContact N-O 3.13Å; R61-L219 PolarHBondContact O-N 3.45Å; R61-E221 IonicContact CZ-OE2 2.76Å; R61-E221 IonicContact NH1-OE2 3.29Å; R61-E221 PolarHBondContact NH1-OE2 2.9Å; R61-E221 IonicContact NH2-OE2 2.79Å
62	L	96	Very high	92.9	Very high	10 Å²	10	50.8 Å²	50.8	5%	0.052	30%	0.298	C	S	.	.	S	Bend	trans	-85.9	168.2	170.7	-60.3	-172	0	0	0	111.7	A46 T47 Q64 F213 K215 G217 T218	A46-L62 WeakPolarHBondContact O-CD1 3.46Å; T47-L62 HydrophobicContact CG2-CB 4.45Å; T47-L62 HydrophobicContact CG2-CD1 4.19Å; T47-L62 PolarHBondContact O-N 2.93Å; L62-Q64 PolarHBondContact O-N 3.04Å; L62-Q64 PolarHBondContact O-NE2 3.16Å; L62-F213 HydrophobicContact CD1-CD1 4.48Å; L62-F213 HydrophobicContact CD2-CD1 3.85Å; L62-F213 HydrophobicContact CG-CD1 4.05Å; L62-F213 HydrophobicContact CG-CE1 4.33Å; L62-K215 HydrophobicContact CD2-CD 4.49Å; L62-K215 VanDerWaalsContact CD2-CE 3.42Å; L62-K215 HydrophobicContact CD2-CG 4.2Å; L62-G217 CarbonylContact C-O 3.58Å; L62-T218 HydrophobicContact CD2-CG2 3.91Å; L62-T218 WeakPolarHBondContact CD2-OG1 3.25Å
63	D	95	Very high	92.5	Very high	133 Å²	133	52.1 Å²	52.1	71%	0.711	31%	0.305	S	S	*	.	S	Bend	trans	55.5	35.5	174.3	-49.3	-45.8	0	0	0	113.1	G217	D63-G217 PolarHBondContact N-O 2.9Å
64	Q	96.3	Very high	92.2	Very high	72 Å²	72	55.1 Å²	55.1	34%	0.336	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-92.8	153.7	177.7	-58	-55.8	-74.4	0	0	110.8	R61 L62 Y169 G217 L219	R61-Q64 HydrophobicContact CB-CG 3.61Å; L62-Q64 PolarHBondContact O-N 3.04Å; L62-Q64 PolarHBondContact O-NE2 3.16Å; Q64-Y169 HydrophobicContact CB-CE2 4.48Å; Q64-Y169 WeakPolarHBondContact O-CE2 3.2Å; Q64-Y169 PolarHBondContact O-OH 3.43Å; Q64-G217 PolarHBondContact N-O 3.08Å; Q64-L219 HydrophobicContact CB-CB 3.93Å; Q64-L219 HydrophobicContact CG-CB 3.83Å
65	T	94	Very high	92.1	Very high	117 Å²	117	60.7 Å²	60.7	72%	0.718	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-82	155	167.3	54.3	0	0	0	0	110.7
66	P	89.3	Confident	91.9	Very high	66 Å²	66	63.3 Å²	63.3	43%	0.429	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-56.8	140.4	174.6	-16.9	25.5	0	0	0	111.5	Y169	P66-Y169 HydrophobicContact CB-CD1 3.94Å; P66-Y169 HydrophobicContact CB-CE1 3.71Å; P66-Y169 HydrophobicContact CB-CG 4.48Å; P66-Y169 WeakPolarHBondContact CD-OH 3.37Å; P66-Y169 HydrophobicContact CG-CD1 4.25Å; P66-Y169 HydrophobicContact CG-CE1 3.5Å
67	P	91	Very high	91.2	Very high	30 Å²	30	71 Å²	71	20%	0.195	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-58.4	141.5	170.1	-23.1	33	0	0	0	111.6	V69 L159 L219	P67-V69 PolarHBondContact O-N 3.2Å; P67-L159 HydrophobicContact CB-CD1 3.63Å; P67-L159 HydrophobicContact CG-CD1 4.17Å; P67-L219 HydrophobicContact CG-CD1 3.84Å
68	V	85.9	Confident	90.6	Very high	133 Å²	133	71.7 Å²	71.7	81%	0.806	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-75.5	121.1	177.4	-178.4	0	0	0	0	109.5
69	V	85.6	Confident	90.2	Very high	34 Å²	34	79 Å²	79	21%	0.206	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-102.1	116.6	171.3	-174.6	0	0	0	0	108.1	P67 L73 F138 A140 L157 L159	P67-V69 PolarHBondContact O-N 3.2Å; V69-L73 HydrophobicContact CG1-CD2 3.98Å; V69-F138 HydrophobicContact CG1-CE2 3.53Å; V69-F138 HydrophobicContact CG1-CZ 3.58Å; V69-A140 HydrophobicContact CG1-CB 4.3Å; V69-L157 HydrophobicContact CG2-CD1 4.26Å; V69-L157 HydrophobicContact CG2-CD2 3.78Å; V69-L159 HydrophobicContact CG2-CD1 4.31Å; V69-L159 HydrophobicContact CG2-CD2 3.88Å
70	S	81	Confident	90.1	Very high	92 Å²	92	81.5 Å²	81.5	64%	0.643	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-75.6	125.8	175	-62.6	0	0	0	0	110.1	F138	S70-F138 WeakPolarHBondContact O-CZ 3.24Å
71	G	77.4	Confident	90	Very high	62 Å²	62	84.2 Å²	84.2	64%	0.639	47%	0.467	S	S	*	.	S	Bend	trans	92.7	177.9	178.8	0	0	0	0	0	114.2
72	D	83.3	Confident	89.9	Confident	156 Å²	156	86.1 Å²	86.1	83%	0.834	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-91.7	131	-173.4	-68.1	-33.3	0	0	0	112	S74	D72-S74 PolarHBondContact O-N 3.08Å
73	L	89.6	Confident	90	Very high	50 Å²	50	86.1 Å²	86.1	26%	0.262	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-76	121.7	169.2	-58.1	-178	0	0	0	109.6	V69 K75 N131 A133 A140 A142 L157	V69-L73 HydrophobicContact CG1-CD2 3.98Å; L73-K75 PolarHBondContact O-N 2.89Å; L73-N131 HydrophobicContact CB-CB 3.57Å; L73-N131 HydrophobicContact CD1-CB 4.21Å; L73-A133 HydrophobicContact CD2-CB 3.59Å; L73-A140 HydrophobicContact CD2-CB 3.62Å; L73-A142 HydrophobicContact CD1-CB 3.74Å; L73-L157 HydrophobicContact CD1-CD1 4.44Å
74	S	90.8	Very high	90.2	Very high	64 Å²	64	84 Å²	84	45%	0.448	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	123.4	178.6	-68.1	0	0	0	0	111.1	D72 N131 T132	D72-S74 PolarHBondContact O-N 3.08Å; S74-N131 WeakPolarHBondContact O-CA 3.44Å; S74-T132 PolarHBondContact N-O 3.21Å; S74-T132 PolarHBondContact O-N 2.87Å
75	K	92.7	Very high	90.3	Very high	123 Å²	123	81.4 Å²	81.4	54%	0.535	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	134.5	174.5	-171.2	171.7	-175.1	171.8	0	111.7	L73 N129 N131	L73-K75 PolarHBondContact O-N 2.89Å; K75-N129 HydrophobicContact CD-CB 4.44Å; K75-N129 VanDerWaalsContact CE-CG 3.45Å; K75-N129 WeakPolarHBondContact CE-ND2 3.43Å; K75-N129 HydrophobicContact CG-CB 4.22Å; K75-N131 VanDerWaalsContact CA-OD1 3.24Å; K75-N131 WeakPolarHBondContact CA-OD1 3.39Å; K75-N131 WeakPolarHBondContact CB-OD1 3.32Å
76	K	91.4	Very high	90.5	Very high	56 Å²	56	81.2 Å²	81.2	24%	0.243	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.3	177.2	-55.1	-56.6	175.8	-175.3	0	110	Q81 N129 F130 T132	K76-Q81 HydrophobicContact CG-CG 4.38Å; K76-N129 VanDerWaalsContact O-CA 3.27Å; K76-N129 WeakPolarHBondContact O-CA 3.25Å; K76-N129 WeakPolarHBondContact O-CB 3.25Å; K76-N129 PolarHBondContact O-OD1 3.37Å; K76-F130 HydrophobicContact CB-CE1 4.5Å; K76-F130 HydrophobicContact CB-CE2 4.26Å; K76-F130 HydrophobicContact CB-CZ 4.27Å; K76-F130 WeakPolarHBondContact CB-O 3.37Å; K76-F130 HydrophobicContact CG-CE2 4.33Å; K76-F130 PolarHBondContact N-O 2.81Å; K76-F130 PolarHBondContact O-N 3.22Å; K76-T132 WeakPolarHBondContact CE-OG1 3.28Å; K76-T132 HydrophobicContact CG-CG2 4.17Å
77	Q	84.8	Confident	90.9	Very high	164 Å²	164	79.1 Å²	79.1	77%	0.766	43%	0.432	S	S	*	.			trans	-108.2	61.7	177	-54.6	-172.2	-25.4	0	0	109.7	N129	Q77-N129 VanDerWaalsContact CA-OD1 3.29Å; Q77-N129 WeakPolarHBondContact CA-OD1 3.37Å; Q77-N129 VanDerWaalsContact CG-OD1 3.32Å; Q77-N129 WeakPolarHBondContact CG-OD1 3.31Å
78	S	85.4	Confident	91.2	Very high	50 Å²	50	83.6 Å²	83.6	35%	0.35	46%	0.462	S	S	.	.	S	Bend	trans	-148.9	151.3	-178.2	177.8	0	0	0	0	109.4	V80 F130	S78-V80 WeakPolarHBondContact CB-O 3.19Å; S78-V80 PolarHBondContact O-N 2Å; S78-V80 PolarHBondContact OG-N 3.48Å; S78-V80 PolarHBondContact OG-O 3.35Å; S78-F130 VanDerWaalsContact O-CE1 3.28Å; S78-F130 WeakPolarHBondContact O-CE1 3.4Å
79	F	90.4	Very high	91.8	Very high	153 Å²	153	77.8 Å²	77.8	67%	0.671	43%	0.426	S	S	*	.	S	Bend	trans	-63.3	-31.4	170.5	-67.3	-75.6	0	0	0	112.4	L102 N103	F79-L102 WeakPolarHBondContact O-CA 3.28Å; F79-N103 WeakPolarHBondContact CD1-ND2 3.17Å; F79-N103 PolarHBondContact O-N 3.18Å
80	V	95.3	Very high	92.3	Very high	65 Å²	65	82.2 Å²	82.2	39%	0.394	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	139	-177.8	63.6	0	0	0	0	111.6	S78 I101 L102	S78-V80 WeakPolarHBondContact CB-O 3.19Å; S78-V80 PolarHBondContact O-N 2Å; S78-V80 PolarHBondContact OG-N 3.48Å; S78-V80 PolarHBondContact OG-O 3.35Å; V80-I101 CarbonylContact C-O 3.48Å; V80-I101 VanDerWaalsContact CA-O 3.26Å; V80-I101 WeakPolarHBondContact CA-O 3.42Å; V80-L102 HydrophobicContact CG2-CD1 4.42Å
81	Q	96.3	Very high	93.1	Very high	57 Å²	57	78.1 Å²	78.1	27%	0.266	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	122.8	170.9	176.2	63.4	58.9	0	0	109.5	K76 I83 I101 F130	K76-Q81 HydrophobicContact CG-CG 4.38Å; Q81-I83 HydrophobicContact CG-CD1 4.46Å; Q81-I83 HydrophobicContact CG-CG1 4.06Å; Q81-I101 HydrophobicContact CB-CB 4.4Å; Q81-I101 PolarHBondContact N-O 3.22Å; Q81-I101 PolarHBondContact O-N 3.48Å; Q81-F130 HydrophobicContact CB-CE2 3.85Å; Q81-F130 HydrophobicContact CB-CZ 3.63Å
82	K	97.5	Very high	94.1	Very high	122 Å²	122	75.2 Å²	75.2	53%	0.53	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	134	172.3	-69.2	175	167.8	-114.3	0	110.4	E98 L99	K82-E98 HydrophobicContact CB-CG 4.36Å; K82-E98 WeakPolarHBondContact CE-OE1 3.24Å; K82-E98 IonicContact NZ-OE1 3.34Å; K82-E98 PolarHBondContact NZ-OE1 2.03Å; K82-E98 IonicContact NZ-OE2 3.36Å; K82-L99 CarbonylContact C-O 3.5Å; K82-L99 WeakPolarHBondContact CA-O 3.41Å
83	I	97.7	Very high	94.6	Very high	9 Å²	9	69 Å²	69	5%	0.046	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	121.1	178.4	-62.2	-178.7	0	0	0	108.5	Q81 E98 L99 I101 T132 N134 I139	Q81-I83 HydrophobicContact CG-CD1 4.46Å; Q81-I83 HydrophobicContact CG-CG1 4.06Å; I83-E98 WeakPolarHBondContact O-CA 3.38Å; I83-L99 HydrophobicContact CB-CB 4.4Å; I83-L99 PolarHBondContact N-O 2.89Å; I83-L99 PolarHBondContact O-N 3.41Å; I83-I101 HydrophobicContact CD1-CG1 3.88Å; I83-I101 HydrophobicContact CG1-CG1 4.34Å; I83-T132 HydrophobicContact CD1-CG2 4.26Å; I83-N134 HydrophobicContact CG2-CB 3.89Å; I83-I139 HydrophobicContact CD1-CG2 4.27Å; I83-I139 HydrophobicContact CG2-CD1 4.16Å
84	T	98.4	Very high	94.9	Very high	90 Å²	90	69 Å²	69	55%	0.552	35%	0.354	S	S	*	.			trans	-89.4	118	163.2	-57.4	0	0	0	0	108	K86 N134	T84-K86 PolarHBondContact O-N 3.21Å; T84-N134 PolarHBondContact O-ND2 2.98Å
85	P	98.3	Very high	95.2	Very high	17 Å²	17	69.1 Å²	69.1	11%	0.11	36%	0.359	C	S	.	.			trans	-55.3	136.8	177.9	-26.7	35.6	0	0	0	112.2	F87 L89 V96 I139	P85-F87 HydrophobicContact CB-CE2 4.46Å; P85-F87 WeakPolarHBondContact CB-O 2.99Å; P85-F87 PolarHBondContact O-N 2.97Å; P85-L89 HydrophobicContact CB-CB 4.26Å; P85-L89 HydrophobicContact CG-CB 4.28Å; P85-L89 HydrophobicContact CG-CD2 3.96Å; P85-V96 HydrophobicContact CG-CG1 4.32Å; P85-I139 HydrophobicContact CB-CD1 3.87Å; P85-I139 HydrophobicContact CG-CD1 3.89Å
86	K	97.7	Very high	95.4	Very high	113 Å²	113	64 Å²	64	49%	0.491	34%	0.338	S	S	.	.	S	Bend	trans	-76.3	-2.1	174.4	-71.3	-180	-179.3	165.2	0	113.7	T84 N134 E135	T84-K86 PolarHBondContact O-N 3.21Å; K86-N134 VanDerWaalsContact CD-O 3.24Å; K86-N134 WeakPolarHBondContact CD-O 3.25Å; K86-N134 WeakPolarHBondContact CE-O 3.5Å; K86-N134 PolarHBondContact N-OD1 3.48Å; K86-N134 PolarHBondContact NZ-O 2.97Å; K86-E135 IonicContact NZ-OE2 3.53Å
87	F	98	Very high	95.8	Very high	21 Å²	21	67 Å²	67	9%	0.092	35%	0.351	C	S	.	.	S	Bend	trans	-134.4	157.1	-178.6	48.6	-99	0	0	0	110.4	P85 L89 E135 N136 I139 P162	P85-F87 HydrophobicContact CB-CE2 4.46Å; P85-F87 WeakPolarHBondContact CB-O 2.99Å; P85-F87 PolarHBondContact O-N 2.97Å; F87-L89 HydrophobicContact CD2-CB 4.1Å; F87-L89 HydrophobicContact CE2-CB 3.96Å; F87-L89 HydrophobicContact CE2-CD1 4.18Å; F87-L89 HydrophobicContact CE2-CD2 4.49Å; F87-L89 HydrophobicContact CE2-CG 4.42Å; F87-L89 PolarHBondContact O-N 3.47Å; F87-L89 VanDerWaalsContact O-N 3.11Å; F87-E135 WeakPolarHBondContact CD1-O 3.2Å; F87-E135 WeakPolarHBondContact CE1-O 3.45Å; F87-N136 VanDerWaalsContact CD1-O 3.25Å; F87-N136 WeakPolarHBondContact CD1-O 3.37Å; F87-I139 HydrophobicContact CE1-CD1 4.41Å; F87-I139 HydrophobicContact CE1-CG1 4.03Å; F87-I139 HydrophobicContact CZ-CD1 3.95Å; F87-I139 HydrophobicContact CZ-CG1 3.86Å; F87-P162 HydrophobicContact CB-CB 4.27Å; F87-P162 HydrophobicContact CB-CG 4.25Å; F87-P162 HydrophobicContact CD1-CG 3.97Å; F87-P162 VanDerWaalsContact CD2-CA 3.5Å; F87-P162 HydrophobicContact CD2-CB 3.86Å; F87-P162 HydrophobicContact CD2-CG 3.93Å; F87-P162 HydrophobicContact CE1-CG 4.25Å; F87-P162 HydrophobicContact CE2-CB 4.34Å; F87-P162 HydrophobicContact CE2-CG 4.2Å; F87-P162 HydrophobicContact CG-CB 4.04Å; F87-P162 HydrophobicContact CG-CG 3.78Å; F87-P162 HydrophobicContact CZ-CG 4.35Å
88	P	97.5	Very high	96.4	Very high	125 Å²	125	61.5 Å²	61.5	81%	0.812	33%	0.325	S	S	*	.			trans	-60.6	115.7	170.8	-20.1	32.5	0	0	0	110
89	L	98.3	Very high	97.1	Very high	11 Å²	11	59.2 Å²	59.2	6%	0.058	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	137.6	179.4	175.4	61.4	0	0	0	109.9	P85 F87 V96 I160	P85-L89 HydrophobicContact CB-CB 4.26Å; P85-L89 HydrophobicContact CG-CB 4.28Å; P85-L89 HydrophobicContact CG-CD2 3.96Å; F87-L89 HydrophobicContact CD2-CB 4.1Å; F87-L89 HydrophobicContact CE2-CB 3.96Å; F87-L89 HydrophobicContact CE2-CD1 4.18Å; F87-L89 HydrophobicContact CE2-CD2 4.49Å; F87-L89 HydrophobicContact CE2-CG 4.42Å; F87-L89 PolarHBondContact O-N 3.47Å; F87-L89 VanDerWaalsContact O-N 3.11Å; L89-V96 HydrophobicContact CB-CB 4.14Å; L89-V96 HydrophobicContact CB-CG2 4.48Å; L89-V96 HydrophobicContact CD2-CB 4.04Å; L89-V96 HydrophobicContact CD2-CG1 4.07Å; L89-V96 HydrophobicContact CD2-CG2 4.09Å; L89-V96 HydrophobicContact CG-CB 3.99Å; L89-V96 HydrophobicContact CG-CG2 3.88Å; L89-V96 PolarHBondContact O-N 3.49Å; L89-I160 HydrophobicContact CD1-CG2 3.63Å; L89-I160 HydrophobicContact CD2-CG2 3.81Å; L89-I160 HydrophobicContact CG-CG2 4.4Å
90	K	97.3	Very high	97.4	Very high	127 Å²	127	52.2 Å²	52.2	55%	0.552	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	140.9	169.5	-67.6	-177.3	176.9	-175.5	0	110.8	Q94	K90-Q94 CarbonylContact C-O 3.57Å; K90-Q94 WeakPolarHBondContact CA-O 3.27Å
91	Y	97.9	Very high	97.5	Very high	5 Å²	5	49.1 Å²	49.1	2%	0.02	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	123.8	174.2	178.9	-99	0	0	0	108.7	G93 Q94 I109 Q117 I118 M166 D187	Y91-G93 PolarHBondContact O-N 2.81Å; Y91-G93 VanDerWaalsContact O-N 3.15Å; Y91-Q94 PolarHBondContact N-O 3.43Å; Y91-Q94 PolarHBondContact O-N 2.81Å; Y91-I109 HydrophobicContact CD1-CD1 3.79Å; Y91-I109 HydrophobicContact CD1-CG2 4.33Å; Y91-I109 HydrophobicContact CD2-CD1 3.4Å; Y91-I109 HydrophobicContact CE1-CD1 3.82Å; Y91-I109 HydrophobicContact CE2-CD1 3.42Å; Y91-I109 VanDerWaalsContact CE2-CD1 3.42Å; Y91-I109 HydrophobicContact CG-CD1 3.57Å; Y91-I109 HydrophobicContact CG-CG2 4.27Å; Y91-Q117 PolarHBondContact OH-O 3.44Å; Y91-I118 HydrophobicContact CE2-CG1 4.41Å; Y91-M166 HydrophobicContact CD2-CE 4.13Å; Y91-M166 HydrophobicContact CD2-SD 4.13Å; Y91-M166 HydrophobicContact CE2-CE 3.93Å; Y91-M166 HydrophobicContact CE2-SD 4.11Å; Y91-D187 VanDerWaalsContact CE1-O 3.3Å; Y91-D187 WeakPolarHBondContact CE1-O 3.26Å; Y91-D187 VanDerWaalsContact OH-C 3.29Å; Y91-D187 PolarHBondContact OH-N 3.33Å; Y91-D187 PolarHBondContact OH-O 3.47Å
92	Y	96.7	Very high	97.5	Very high	1 Å²	1	48.3 Å²	48.3	0%	0.004	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	35.1	-171.8	-81.2	-107.7	0	0	0	112.4	E55 Y56 Q94 I186 Y188 Y204 N205 T263	E55-Y92 HydrophobicContact CB-CD1 3.66Å; E55-Y92 HydrophobicContact CB-CE1 3.99Å; E55-Y92 HydrophobicContact CB-CG 4.27Å; E55-Y92 HydrophobicContact CG-CD1 3.54Å; E55-Y92 HydrophobicContact CG-CE1 4.17Å; E55-Y92 HydrophobicContact CG-CG 4.3Å; Y56-Y92 HydrophobicContact CD2-CD2 4.19Å; Y56-Y92 HydrophobicContact CD2-CE2 4.01Å; Y56-Y92 AromaticContact CE2-CD2 3.45Å; Y56-Y92 HydrophobicContact CE2-CD2 3.45Å; Y56-Y92 VanDerWaalsContact CE2-CD2 3.45Å; Y56-Y92 AromaticContact CE2-CE2 3.65Å; Y56-Y92 HydrophobicContact CE2-CE2 3.65Å; Y56-Y92 AromaticContact CE2-CG 3.92Å; Y56-Y92 HydrophobicContact CE2-CG 3.92Å; Y56-Y92 PolarHBondContact OH-N 3.09Å; Y56-Y92 VanDerWaalsContact OH-N 3.11Å; Y92-Q94 PolarHBondContact O-N 2.82Å; Y92-I186 HydrophobicContact CE2-CD1 4.22Å; Y92-I186 HydrophobicContact CE2-CG1 4.42Å; Y92-I186 PolarHBondContact OH-O 3.33Å; Y92-Y188 HydrophobicContact CD1-CG 4.4Å; Y92-Y188 HydrophobicContact CG-CD2 4.13Å; Y92-Y188 HydrophobicContact CG-CG 4.33Å; Y92-Y204 HydrophobicContact CD1-CE1 4.44Å; Y92-N205 HydrophobicContact CE1-CB 4.49Å; Y92-N205 PolarHBondContact OH-O 3.33Å; Y92-T263 HydrophobicContact CD1-CG2 4.11Å; Y92-T263 WeakPolarHBondContact O-CG2 3.4Å; Y92-T263 PolarHBondContact O-OG1 2.79Å
93	G	94.5	Very high	97.4	Very high	25 Å²	25	43.8 Å²	43.8	26%	0.258	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	-12.9	-175.4	0	0	0	0	0	115.8	Y91	Y91-G93 PolarHBondContact O-N 2.81Å; Y91-G93 VanDerWaalsContact O-N 3.15Å
94	Q	95.2	Very high	97.1	Very high	52 Å²	52	46 Å²	46	24%	0.243	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	142.5	-179	-58.5	-54	-49.8	0	0	111.8	K90 Y91 Y92 I115 Y188	K90-Q94 CarbonylContact C-O 3.57Å; K90-Q94 WeakPolarHBondContact CA-O 3.27Å; Y91-Q94 PolarHBondContact N-O 3.43Å; Y91-Q94 PolarHBondContact O-N 2.81Å; Y92-Q94 PolarHBondContact O-N 2.82Å; Q94-I115 HydrophobicContact CB-CD1 3.96Å; Q94-Y188 HydrophobicContact CB-CE2 4.22Å; Q94-Y188 HydrophobicContact CG-CE2 3.5Å; Q94-Y188 VanDerWaalsContact CG-CE2 3.5Å
95	A	97	Very high	96.9	Very high	65 Å²	65	41.7 Å²	41.7	54%	0.537	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	132	178.9	0	0	0	0	0	111.5
96	V	98.5	Very high	96.8	Very high	16 Å²	16	41.6 Å²	41.6	10%	0.097	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	132.6	177.4	-178.7	0	0	0	0	109.8	P85 L89 L99 I109 I115	P85-V96 HydrophobicContact CG-CG1 4.32Å; L89-V96 HydrophobicContact CB-CB 4.14Å; L89-V96 HydrophobicContact CB-CG2 4.48Å; L89-V96 HydrophobicContact CD2-CB 4.04Å; L89-V96 HydrophobicContact CD2-CG1 4.07Å; L89-V96 HydrophobicContact CD2-CG2 4.09Å; L89-V96 HydrophobicContact CG-CB 3.99Å; L89-V96 HydrophobicContact CG-CG2 3.88Å; L89-V96 PolarHBondContact O-N 3.49Å; V96-L99 HydrophobicContact CG1-CD2 3.78Å; V96-L99 HydrophobicContact CG1-CG 4.33Å; V96-I109 HydrophobicContact CB-CG2 4.34Å; V96-I109 HydrophobicContact CG1-CG2 3.81Å; V96-I109 HydrophobicContact CG2-CG2 3.63Å; V96-I115 HydrophobicContact CG2-CD1 4.25Å
97	K	98.5	Very high	96.9	Very high	118 Å²	118	36.2 Å²	36.2	51%	0.513	21%	0.205	S	C	.	.			trans	-105.7	-39.1	174.7	-65.3	-171.9	179.9	178.8	0	112.4	Y110 D112	K97-Y110 PolarHBondContact N-O 3.46Å; K97-D112 WeakPolarHBondContact CE-OD1 3.33Å; K97-D112 IonicContact NZ-OD1 2.73Å; K97-D112 PolarHBondContact NZ-OD1 3.25Å
98	E	98.6	Very high	96.9	Very high	50 Å²	50	37.4 Å²	37.4	23%	0.234	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	144.6	-177.4	-178.1	177	96.8	0	0	110.5	K82 I83 Y110	K82-E98 HydrophobicContact CB-CG 4.36Å; K82-E98 WeakPolarHBondContact CE-OE1 3.24Å; K82-E98 IonicContact NZ-OE1 3.34Å; K82-E98 PolarHBondContact NZ-OE1 2.03Å; K82-E98 IonicContact NZ-OE2 3.36Å; I83-E98 WeakPolarHBondContact O-CA 3.38Å; E98-Y110 PolarHBondContact N-O 3.38Å; E98-Y110 PolarHBondContact O-N 2.97Å
99	L	98.6	Very high	96.9	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	132.1	166.2	-56.1	176.3	0	0	0	108.3	K82 I83 V96 I101 I107 E108 I109 I139 I160	K82-L99 CarbonylContact C-O 3.5Å; K82-L99 WeakPolarHBondContact CA-O 3.41Å; I83-L99 HydrophobicContact CB-CB 4.4Å; I83-L99 PolarHBondContact N-O 2.89Å; I83-L99 PolarHBondContact O-N 3.41Å; V96-L99 HydrophobicContact CG1-CD2 3.78Å; V96-L99 HydrophobicContact CG1-CG 4.33Å; L99-I101 HydrophobicContact CB-CD1 3.94Å; L99-I107 HydrophobicContact CB-CG2 4.3Å; L99-I107 HydrophobicContact CD2-CG2 4.24Å; L99-E108 CarbonylContact C-O 3.56Å; L99-E108 WeakPolarHBondContact CA-O 3.3Å; L99-I109 HydrophobicContact CD2-CB 4.2Å; L99-I109 HydrophobicContact CD2-CG1 3.85Å; L99-I109 HydrophobicContact CD2-CG2 3.92Å; L99-I139 HydrophobicContact CD1-CD1 3.73Å; L99-I139 HydrophobicContact CD1-CG2 4.4Å; L99-I160 HydrophobicContact CD1-CD1 3.78Å
100	S	98.1	Very high	97	Very high	6 Å²	6	34.3 Å²	34.3	4%	0.042	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	111.7	166.5	-68.3	0	0	0	0	108.9	L102 I107 E108	S100-L102 WeakPolarHBondContact O-CD1 3.45Å; S100-I107 WeakPolarHBondContact O-CA 3.18Å; S100-E108 PolarHBondContact N-O 3.3Å; S100-E108 PolarHBondContact O-N 3.47Å
101	I	97.7	Very high	96.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	117.9	-178.8	-46.5	-52.1	0	0	0	108.4	V80 Q81 I83 L99 I107 F130 V141 W143	V80-I101 CarbonylContact C-O 3.48Å; V80-I101 VanDerWaalsContact CA-O 3.26Å; V80-I101 WeakPolarHBondContact CA-O 3.42Å; Q81-I101 HydrophobicContact CB-CB 4.4Å; Q81-I101 PolarHBondContact N-O 3.22Å; Q81-I101 PolarHBondContact O-N 3.48Å; I83-I101 HydrophobicContact CD1-CG1 3.88Å; I83-I101 HydrophobicContact CG1-CG1 4.34Å; L99-I101 HydrophobicContact CB-CD1 3.94Å; I101-I107 HydrophobicContact CD1-CB 4.24Å; I101-I107 HydrophobicContact CD1-CD1 4.09Å; I101-I107 HydrophobicContact CD1-CG1 3.86Å; I101-I107 HydrophobicContact CD1-CG2 3.65Å; I101-F130 HydrophobicContact CB-CE2 3.87Å; I101-F130 HydrophobicContact CB-CZ 4.22Å; I101-F130 HydrophobicContact CG2-CD2 3.91Å; I101-F130 HydrophobicContact CG2-CE2 3.42Å; I101-F130 VanDerWaalsContact CG2-CE2 3.42Å; I101-F130 HydrophobicContact CG2-CZ 4.02Å; I101-F130 WeakPolarHBondContact O-CZ 3.33Å; I101-V141 HydrophobicContact CD1-CG2 4.02Å; I101-V141 HydrophobicContact CG1-CG2 4.2Å; I101-V141 HydrophobicContact CG2-CB 4.46Å; I101-V141 HydrophobicContact CG2-CG1 3.52Å; I101-V141 HydrophobicContact CG2-CG2 4.12Å; I101-W143 HydrophobicContact CG2-CH2 4.32Å; I101-W143 HydrophobicContact CG2-CZ2 3.61Å
102	L	96.2	Very high	96.7	Very high	41 Å²	41	35.1 Å²	35.1	22%	0.215	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	143.4	178.1	-71.4	72.4	0	0	0	110.2	F79 V80 S100 S104 G105 V106 E108 W143	F79-L102 WeakPolarHBondContact O-CA 3.28Å; V80-L102 HydrophobicContact CG2-CD1 4.42Å; S100-L102 WeakPolarHBondContact O-CD1 3.45Å; L102-S104 WeakPolarHBondContact CB-OG 3.44Å; L102-S104 PolarHBondContact O-N 3.45Å; L102-S104 VanDerWaalsContact O-N 3.13Å; L102-G105 PolarHBondContact O-N 2.94Å; L102-V106 HydrophobicContact CB-CB 4.29Å; L102-V106 HydrophobicContact CD2-CB 4.5Å; L102-V106 PolarHBondContact N-O 3.07Å; L102-E108 HydrophobicContact CD1-CG 4.19Å; L102-W143 PolarHBondContact O-NE1 2.97Å
103	N	94	Very high	96.6	Very high	26 Å²	26	38.2 Å²	38.2	14%	0.139	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-18.3	175.3	68.7	-10.3	0	0	0	113.3	F79 G105 F126 E128 F130	F79-N103 WeakPolarHBondContact CD1-ND2 3.17Å; F79-N103 PolarHBondContact O-N 3.18Å; N103-G105 PolarHBondContact O-N 3.44Å; N103-F126 VanDerWaalsContact O-CB 3.25Å; N103-F126 WeakPolarHBondContact O-CB 3.5Å; N103-E128 WeakPolarHBondContact CB-O 3.12Å; N103-E128 PolarHBondContact ND2-O 3.3Å; N103-F130 HydrophobicContact CB-CD1 3.58Å; N103-F130 HydrophobicContact CB-CE1 3.78Å
104	S	92.7	Very high	96.7	Very high	55 Å²	55	38.1 Å²	38.1	39%	0.385	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	5.1	174.8	59.2	0	0	0	0	115	L102 F126	L102-S104 WeakPolarHBondContact CB-OG 3.44Å; L102-S104 PolarHBondContact O-N 3.45Å; L102-S104 VanDerWaalsContact O-N 3.13Å; S104-F126 VanDerWaalsContact C-CD2 3.47Å; S104-F126 WeakPolarHBondContact O-CD2 3.25Å
105	G	94.3	Very high	96.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	36	-177.5	0	0	0	0	0	113	L102 N103 I120	L102-G105 PolarHBondContact O-N 2.94Å; N103-G105 PolarHBondContact O-N 3.44Å; G105-I120 WeakPolarHBondContact O-CB 3.42Å; G105-I120 WeakPolarHBondContact O-CG1 3.19Å; G105-I120 PolarHBondContact O-N 3.19Å
106	V	96.4	Very high	96.8	Very high	16 Å²	16	33.3 Å²	33.3	10%	0.097	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	136	174.1	179.4	0	0	0	0	108.8	L102 E108 Q117 I118	L102-V106 HydrophobicContact CB-CB 4.29Å; L102-V106 HydrophobicContact CD2-CB 4.5Å; L102-V106 PolarHBondContact N-O 3.07Å; V106-E108 HydrophobicContact CG1-CG 4.32Å; V106-Q117 HydrophobicContact CG1-CG 3.86Å; V106-I118 WeakPolarHBondContact CA-O 3.2Å
107	I	98.2	Very high	96.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	121.1	166.3	-52.4	177.9	0	0	0	107.8	L99 S100 I101 I109 Q117 I118 W143 Y158	L99-I107 HydrophobicContact CB-CG2 4.3Å; L99-I107 HydrophobicContact CD2-CG2 4.24Å; S100-I107 WeakPolarHBondContact O-CA 3.18Å; I101-I107 HydrophobicContact CD1-CB 4.24Å; I101-I107 HydrophobicContact CD1-CD1 4.09Å; I101-I107 HydrophobicContact CD1-CG1 3.86Å; I101-I107 HydrophobicContact CD1-CG2 3.65Å; I107-I109 HydrophobicContact CG2-CG1 4.14Å; I107-Q117 WeakPolarHBondContact O-CA 3.47Å; I107-I118 HydrophobicContact CB-CB 4.07Å; I107-I118 HydrophobicContact CB-CD1 4.24Å; I107-I118 HydrophobicContact CD1-CD1 4.1Å; I107-I118 HydrophobicContact CG2-CD1 4.49Å; I107-I118 PolarHBondContact N-O 3.42Å; I107-I118 PolarHBondContact O-N 3.24Å; I107-W143 HydrophobicContact CD1-CH2 3.92Å; I107-W143 HydrophobicContact CG1-CH2 3.78Å; I107-W143 HydrophobicContact CG1-CZ2 4.2Å; I107-Y158 HydrophobicContact CD1-CD1 4.19Å; I107-Y158 HydrophobicContact CD1-CG 4.45Å
108	E	98.4	Very high	96.7	Very high	46 Å²	46	28.3 Å²	28.3	22%	0.215	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	133.9	168	-62.3	-178.3	156.3	0	0	109.6	L99 S100 L102 V106 Y110 L114	L99-E108 CarbonylContact C-O 3.56Å; L99-E108 WeakPolarHBondContact CA-O 3.3Å; S100-E108 PolarHBondContact N-O 3.3Å; S100-E108 PolarHBondContact O-N 3.47Å; L102-E108 HydrophobicContact CD1-CG 4.19Å; V106-E108 HydrophobicContact CG1-CG 4.32Å; E108-Y110 HydrophobicContact CB-CD2 4.31Å; E108-Y110 HydrophobicContact CB-CE2 3.49Å; E108-Y110 VanDerWaalsContact CB-CE2 3.49Å; E108-Y110 PolarHBondContact OE2-OH 2.86Å; E108-L114 HydrophobicContact CB-CD1 3.94Å; E108-L114 HydrophobicContact CG-CD1 4.45Å
109	I	98.7	Very high	96.6	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.015	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	122.5	-173.2	-52.7	179.9	0	0	0	108.5	Y91 V96 L99 I107 I115 G116 I118	Y91-I109 HydrophobicContact CD1-CD1 3.79Å; Y91-I109 HydrophobicContact CD1-CG2 4.33Å; Y91-I109 HydrophobicContact CD2-CD1 3.4Å; Y91-I109 HydrophobicContact CE1-CD1 3.82Å; Y91-I109 HydrophobicContact CE2-CD1 3.42Å; Y91-I109 VanDerWaalsContact CE2-CD1 3.42Å; Y91-I109 HydrophobicContact CG-CD1 3.57Å; Y91-I109 HydrophobicContact CG-CG2 4.27Å; V96-I109 HydrophobicContact CB-CG2 4.34Å; V96-I109 HydrophobicContact CG1-CG2 3.81Å; V96-I109 HydrophobicContact CG2-CG2 3.63Å; L99-I109 HydrophobicContact CD2-CB 4.2Å; L99-I109 HydrophobicContact CD2-CG1 3.85Å; L99-I109 HydrophobicContact CD2-CG2 3.92Å; I107-I109 HydrophobicContact CG2-CG1 4.14Å; I109-I115 HydrophobicContact CB-CG1 4.32Å; I109-I115 HydrophobicContact CG2-CD1 3.99Å; I109-I115 HydrophobicContact CG2-CG1 3.86Å; I109-I115 VanDerWaalsContact O-CG1 3.25Å; I109-I115 WeakPolarHBondContact O-CG1 3.41Å; I109-I115 PolarHBondContact O-N 2.9Å; I109-G116 PolarHBondContact N-O 2.99Å; I109-G116 PolarHBondContact O-N 3.49Å; I109-I118 HydrophobicContact CD1-CD1 3.87Å; I109-I118 HydrophobicContact CD1-CG1 4.07Å
110	Y	98.6	Very high	96.3	Very high	67 Å²	67	27.4 Å²	27.4	26%	0.263	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	128	-174.8	-67.2	-88.8	0	0	0	111.5	K97 E98 E108 D113 L114	K97-Y110 PolarHBondContact N-O 3.46Å; E98-Y110 PolarHBondContact N-O 3.38Å; E98-Y110 PolarHBondContact O-N 2.97Å; E108-Y110 HydrophobicContact CB-CD2 4.31Å; E108-Y110 HydrophobicContact CB-CE2 3.49Å; E108-Y110 VanDerWaalsContact CB-CE2 3.49Å; E108-Y110 PolarHBondContact OE2-OH 2.86Å; Y110-D113 WeakPolarHBondContact CA-O 3.3Å; Y110-L114 HydrophobicContact CD1-CB 4.18Å; Y110-L114 HydrophobicContact CD1-CD1 4.39Å; Y110-L114 HydrophobicContact CE1-CB 3.85Å; Y110-L114 HydrophobicContact CE1-CD1 3.94Å; Y110-L114 HydrophobicContact CE2-CD1 4.25Å
111	G	97	Very high	95.7	Very high	12 Å²	12	27.4 Å²	27.4	12%	0.124	15%	0.146	C	C	.	.	S	Bend	trans	-96.4	-119.3	160.5	0	0	0	0	0	108.5	D113	G111-D113 PolarHBondContact N-O 3.47Å
112	D	93.8	Very high	94.6	Very high	138 Å²	138	31.1 Å²	31.1	74%	0.738	16%	0.163	S	C	*	.	S	Bend	trans	-73.9	-30.8	165.4	-70.4	-36.4	0	0	0	112.8	K97	K97-D112 WeakPolarHBondContact CE-OD1 3.33Å; K97-D112 IonicContact NZ-OD1 2.73Å; K97-D112 PolarHBondContact NZ-OD1 3.25Å
113	D	94	Very high	93.6	Very high	66 Å²	66	34.8 Å²	34.8	35%	0.353	18%	0.177	S	C	.	.	S	Bend	trans	-128.1	-178	173.8	-76.1	-63.1	0	0	0	108.2	Y110 G111 I115 K191 F201	Y110-D113 WeakPolarHBondContact CA-O 3.3Å; G111-D113 PolarHBondContact N-O 3.47Å; D113-I115 PolarHBondContact O-N 2.87Å; D113-K191 HydrophobicContact CB-CD 4.41Å; D113-K191 IonicContact OD1-NZ 2.65Å; D113-K191 PolarHBondContact OD1-NZ 3.18Å; D113-K191 VanDerWaalsContact OD2-CD 3.24Å; D113-K191 WeakPolarHBondContact OD2-CD 3.3Å; D113-K191 IonicContact OD2-NZ 3.83Å; D113-K191 PolarHBondContact OD2-NZ 3.2Å; D113-F201 HydrophobicContact CB-CE1 4.15Å; D113-F201 HydrophobicContact CB-CZ 4.32Å
114	L	96.8	Very high	93.1	Very high	23 Å²	23	34.3 Å²	34.3	12%	0.12	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	118.7	166.6	179.2	71.2	0	0	0	109.3	E108 Y110 G116 R189 F201	E108-L114 HydrophobicContact CB-CD1 3.94Å; E108-L114 HydrophobicContact CG-CD1 4.45Å; Y110-L114 HydrophobicContact CD1-CB 4.18Å; Y110-L114 HydrophobicContact CD1-CD1 4.39Å; Y110-L114 HydrophobicContact CE1-CB 3.85Å; Y110-L114 HydrophobicContact CE1-CD1 3.94Å; Y110-L114 HydrophobicContact CE2-CD1 4.25Å; L114-G116 WeakPolarHBondContact CD1-O 3.28Å; L114-R189 HydrophobicContact CD2-CB 4.39Å; L114-R189 HydrophobicContact CD2-CG 4.25Å; L114-R189 HydrophobicContact CG-CB 4.22Å; L114-R189 HydrophobicContact CG-CG 4.33Å; L114-F201 HydrophobicContact CB-CD1 3.94Å; L114-F201 HydrophobicContact CB-CE1 3.77Å; L114-F201 HydrophobicContact CB-CE2 4.39Å; L114-F201 HydrophobicContact CB-CG 4.32Å; L114-F201 HydrophobicContact CB-CZ 4.01Å; L114-F201 HydrophobicContact CD2-CB 4.05Å; L114-F201 HydrophobicContact CD2-CD1 4.26Å; L114-F201 HydrophobicContact CD2-CD2 4.21Å; L114-F201 HydrophobicContact CD2-CG 3.92Å; L114-F201 HydrophobicContact CG-CD1 4.42Å; L114-F201 WeakPolarHBondContact O-CD1 3.35Å; L114-F201 WeakPolarHBondContact O-CE1 3.18Å
115	I	96.4	Very high	92.8	Very high	15 Å²	15	34.2 Å²	34.2	8%	0.077	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	-14.9	-178.6	60.5	168.1	0	0	0	112.9	Q94 V96 I109 D113 Y188 R189	Q94-I115 HydrophobicContact CB-CD1 3.96Å; V96-I115 HydrophobicContact CG2-CD1 4.25Å; I109-I115 HydrophobicContact CB-CG1 4.32Å; I109-I115 HydrophobicContact CG2-CD1 3.99Å; I109-I115 HydrophobicContact CG2-CG1 3.86Å; I109-I115 VanDerWaalsContact O-CG1 3.25Å; I109-I115 WeakPolarHBondContact O-CG1 3.41Å; I109-I115 PolarHBondContact O-N 2.9Å; D113-I115 PolarHBondContact O-N 2.87Å; I115-Y188 HydrophobicContact CB-CE2 3.84Å; I115-Y188 HydrophobicContact CG2-CE2 4.5Å; I115-Y188 CarbonylContact O-C 3.52Å; I115-Y188 WeakPolarHBondContact O-CA 3.17Å; I115-Y188 WeakPolarHBondContact O-CD2 2.98Å; I115-Y188 WeakPolarHBondContact O-CE2 2.92Å; I115-R189 PolarHBondContact O-N 3.04Å
116	G	97.6	Very high	92.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165	159.9	-174.9	0	0	0	0	0	114	I109 L114 D187	I109-G116 PolarHBondContact N-O 2.99Å; I109-G116 PolarHBondContact O-N 3.49Å; L114-G116 WeakPolarHBondContact CD1-O 3.28Å; G116-D187 WeakPolarHBondContact CA-O 3.29Å
117	Q	97.3	Very high	92.6	Very high	28 Å²	28	36.6 Å²	36.6	13%	0.131	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	137.4	174.5	-157.1	172.6	45.9	0	0	110.7	Y91 V106 I107 H119 D187 R189	Y91-Q117 PolarHBondContact OH-O 3.44Å; V106-Q117 HydrophobicContact CG1-CG 3.86Å; I107-Q117 WeakPolarHBondContact O-CA 3.47Å; Q117-H119 PolarHBondContact OE1-CD2 3.09Å; Q117-H119 PolarHBondContact OE1-NE2 3.4Å; Q117-D187 WeakPolarHBondContact CB-OD1 3.31Å; Q117-D187 PolarHBondContact N-O 3.43Å; Q117-D187 PolarHBondContact O-N 2.87Å; Q117-R189 HydrophobicContact CB-CG 4.41Å
118	I	97.8	Very high	92.3	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124.3	171.6	-58.4	166.5	0	0	0	106.1	Y91 V106 I107 I109 I120 Y158 M166 I186	Y91-I118 HydrophobicContact CE2-CG1 4.41Å; V106-I118 WeakPolarHBondContact CA-O 3.2Å; I107-I118 HydrophobicContact CB-CB 4.07Å; I107-I118 HydrophobicContact CB-CD1 4.24Å; I107-I118 HydrophobicContact CD1-CD1 4.1Å; I107-I118 HydrophobicContact CG2-CD1 4.49Å; I107-I118 PolarHBondContact N-O 3.42Å; I107-I118 PolarHBondContact O-N 3.24Å; I109-I118 HydrophobicContact CD1-CD1 3.87Å; I109-I118 HydrophobicContact CD1-CG1 4.07Å; I118-I120 HydrophobicContact CG2-CD1 3.68Å; I118-Y158 HydrophobicContact CD1-CE1 3.86Å; I118-Y158 WeakPolarHBondContact CD1-OH 3.2Å; I118-Y158 HydrophobicContact CG2-CD2 4.34Å; I118-Y158 HydrophobicContact CG2-CE2 3.64Å; I118-M166 HydrophobicContact CD1-SD 4.03Å; I118-I186 HydrophobicContact CB-CG2 4.23Å; I118-I186 HydrophobicContact CG1-CB 4.38Å; I118-I186 HydrophobicContact CG1-CG2 3.81Å; I118-I186 HydrophobicContact CG2-CG2 3.96Å
119	H	95.7	Very high	92.1	Very high	31 Å²	31	42.8 Å²	42.8	14%	0.144	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	113.5	172.4	-79.2	-99.6	0	0	0	108.7	Q117 S184 W185	Q117-H119 PolarHBondContact OE1-CD2 3.09Å; Q117-H119 PolarHBondContact OE1-NE2 3.4Å; H119-S184 WeakPolarHBondContact O-CA 3.47Å; H119-S184 PolarHBondContact O-OG 2.94Å; H119-W185 HydrophobicContact CB-CD2 3.85Å; H119-W185 HydrophobicContact CB-CE3 4.09Å; H119-W185 HydrophobicContact CB-CG 4.45Å; H119-W185 HydrophobicContact CB-CH2 3.99Å; H119-W185 HydrophobicContact CB-CZ2 3.74Å; H119-W185 HydrophobicContact CB-CZ3 4.15Å; H119-W185 AromaticContact CD2-CE2 3.49Å; H119-W185 VanDerWaalsContact CD2-CE2 3.49Å; H119-W185 AromaticContact CD2-CZ2 3.39Å; H119-W185 WeakPolarHBondContact CD2-CZ2 3.36Å; H119-W185 AromaticContact CD2-NE1 3.46Å; H119-W185 PolarHBondContact CD2-NE1 2.95Å; H119-W185 AromaticContact CG-CE2 3.61Å; H119-W185 AromaticContact CG-CH2 3.85Å; H119-W185 AromaticContact CG-CZ2 3.35Å; H119-W185 PolarHBondContact N-O 3.34Å; H119-W185 AromaticContact ND1-CZ2 3.78Å; H119-W185 AromaticContact NE2-CZ2 3.79Å; H119-W185 PolarHBondContact O-N 2.88Å
120	I	92.6	Very high	91.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-54.3	-179.4	-53.1	-55.4	0	0	0	110.3	G105 I118 F126 W143 V156 Y158 L168 F170 S184	G105-I120 WeakPolarHBondContact O-CB 3.42Å; G105-I120 WeakPolarHBondContact O-CG1 3.19Å; G105-I120 PolarHBondContact O-N 3.19Å; I118-I120 HydrophobicContact CG2-CD1 3.68Å; I120-F126 HydrophobicContact CB-CZ 4.49Å; I120-F126 HydrophobicContact CG2-CZ 4.33Å; I120-W143 HydrophobicContact CD1-CZ3 4.33Å; I120-W143 HydrophobicContact CG1-CE3 4.45Å; I120-W143 HydrophobicContact CG1-CH2 4.03Å; I120-W143 HydrophobicContact CG1-CZ3 3.91Å; I120-V156 HydrophobicContact CG2-CB 4.02Å; I120-V156 HydrophobicContact CG2-CG1 4.05Å; I120-V156 HydrophobicContact CG2-CG2 3.84Å; I120-Y158 HydrophobicContact CD1-CD2 3.36Å; I120-Y158 HydrophobicContact CD1-CE2 3.8Å; I120-Y158 HydrophobicContact CD1-CG 4.26Å; I120-L168 HydrophobicContact CD1-CD1 4.29Å; I120-L168 HydrophobicContact CD1-CD2 4.27Å; I120-L168 HydrophobicContact CG2-CD1 4.07Å; I120-L168 HydrophobicContact CG2-CD2 4.4Å; I120-F170 HydrophobicContact CG2-CE1 4.45Å; I120-S184 WeakPolarHBondContact O-CB 3.36Å; I120-S184 PolarHBondContact O-OG 3.49Å
121	F	84.7	Confident	91.8	Very high	7 Å²	7	40.9 Å²	40.9	3%	0.031	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	117.1	174	-71.5	-41.9	0	0	0	110.3	I124 F126 V156 F170 I173 L182 E183 I214	F121-I124 HydrophobicContact CB-CB 3.82Å; F121-I124 HydrophobicContact CB-CG2 3.37Å; F121-I124 HydrophobicContact CD2-CB 4.25Å; F121-I124 HydrophobicContact CD2-CD1 3.74Å; F121-I124 HydrophobicContact CD2-CG2 3.86Å; F121-I124 HydrophobicContact CE2-CD1 4.17Å; F121-I124 HydrophobicContact CG-CB 4.37Å; F121-I124 HydrophobicContact CG-CG2 4.07Å; F121-F126 HydrophobicContact CB-CE2 4.41Å; F121-F126 HydrophobicContact CB-CZ 4.33Å; F121-F126 HydrophobicContact CD2-CE1 4.27Å; F121-F126 AromaticContact CD2-CZ 3.67Å; F121-F126 HydrophobicContact CD2-CZ 3.67Å; F121-F126 HydrophobicContact CE2-CZ 4.5Å; F121-F126 HydrophobicContact CG-CZ 4.43Å; F121-V156 HydrophobicContact CD2-CG1 4.21Å; F121-V156 HydrophobicContact CE2-CG1 3.41Å; F121-V156 VanDerWaalsContact CE2-CG1 3.41Å; F121-V156 HydrophobicContact CZ-CG1 3.99Å; F121-F170 HydrophobicContact CE1-CD1 4.26Å; F121-F170 AromaticContact CE1-CE1 3.64Å; F121-F170 HydrophobicContact CE1-CE1 3.64Å; F121-F170 AromaticContact CE1-CZ 3.93Å; F121-F170 HydrophobicContact CE1-CZ 3.93Å; F121-F170 HydrophobicContact CE2-CD1 4.39Å; F121-F170 HydrophobicContact CE2-CE1 4.32Å; F121-F170 AromaticContact CZ-CD1 3.59Å; F121-F170 HydrophobicContact CZ-CD1 3.59Å; F121-F170 AromaticContact CZ-CE1 3.41Å; F121-F170 HydrophobicContact CZ-CE1 3.41Å; F121-F170 VanDerWaalsContact CZ-CE1 3.41Å; F121-F170 HydrophobicContact CZ-CG 4.36Å; F121-F170 HydrophobicContact CZ-CZ 4.1Å; F121-I173 HydrophobicContact CE2-CD1 3.62Å; F121-I173 HydrophobicContact CE2-CG1 4.42Å; F121-I173 HydrophobicContact CZ-CD1 3.76Å; F121-I173 HydrophobicContact CZ-CG1 4.09Å; F121-I173 HydrophobicContact CZ-CG2 4.32Å; F121-L182 HydrophobicContact CB-CD2 4.27Å; F121-L182 HydrophobicContact CD1-CD1 4.38Å; F121-L182 HydrophobicContact CD1-CD2 4.05Å; F121-L182 HydrophobicContact CE1-CD1 4.36Å; F121-L182 HydrophobicContact CG-CD2 4.24Å; F121-E183 CarbonylContact C-O 3.59Å; F121-E183 WeakPolarHBondContact CA-O 3.4Å; F121-I214 HydrophobicContact CD1-CG2 4.31Å; F121-I214 HydrophobicContact CE1-CG2 3.38Å; F121-I214 HydrophobicContact CZ-CG2 4Å
122	Q	75.3	Confident	91.7	Very high	77 Å²	77	40.7 Å²	40.7	36%	0.36	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	131.7	160	-155.7	179.9	8.9	0	0	108.5	E183 W185	Q122-E183 HydrophobicContact CB-CB 4.1Å; Q122-E183 PolarHBondContact N-O 3.38Å; Q122-E183 PolarHBondContact OE1-OE2 3.46Å; Q122-E183 VanDerWaalsContact OE1-OE2 3.14Å; Q122-W185 HydrophobicContact CB-CH2 4.22Å; Q122-W185 HydrophobicContact CB-CZ3 4.02Å; Q122-W185 HydrophobicContact CG-CH2 4.33Å
123	K	76	Confident	91.8	Very high	118 Å²	118	34.5 Å²	34.5	51%	0.513	17%	0.17	S	C	.	.	S	Bend	trans	80.8	-3.7	173.8	-49.2	172.5	-176.8	166.1	0	118
124	I	83.1	Confident	92	Very high	17 Å²	17	33 Å²	33	9%	0.087	16%	0.162	C	C	.	.			trans	-77.7	153.6	167.1	-154.7	159	0	0	0	110.4	F121 F126 V145 Y150 I177	F121-I124 HydrophobicContact CB-CB 3.82Å; F121-I124 HydrophobicContact CB-CG2 3.37Å; F121-I124 HydrophobicContact CD2-CB 4.25Å; F121-I124 HydrophobicContact CD2-CD1 3.74Å; F121-I124 HydrophobicContact CD2-CG2 3.86Å; F121-I124 HydrophobicContact CE2-CD1 4.17Å; F121-I124 HydrophobicContact CG-CB 4.37Å; F121-I124 HydrophobicContact CG-CG2 4.07Å; I124-F126 HydrophobicContact CG2-CD1 4.32Å; I124-F126 HydrophobicContact CG2-CD2 3.55Å; I124-F126 HydrophobicContact CG2-CE1 4.01Å; I124-F126 HydrophobicContact CG2-CE2 3.16Å; I124-F126 HydrophobicContact CG2-CG 4.14Å; I124-F126 HydrophobicContact CG2-CZ 3.45Å; I124-F126 VanDerWaalsContact CG2-CZ 3.45Å; I124-V145 HydrophobicContact CD1-CB 4.38Å; I124-V145 HydrophobicContact CD1-CG1 3.92Å; I124-V145 HydrophobicContact CD1-CG2 3.54Å; I124-V145 HydrophobicContact CG1-CG1 4.15Å; I124-V145 HydrophobicContact CG1-CG2 4.41Å; I124-Y150 HydrophobicContact CG1-CD2 4.49Å; I124-Y150 HydrophobicContact CG1-CE2 3.97Å; I124-I177 HydrophobicContact CD1-CD1 3.63Å; I124-I177 HydrophobicContact CG1-CD1 3.93Å
125	T	87.3	Confident	91.9	Very high	52 Å²	52	35.3 Å²	35.3	32%	0.319	17%	0.172	S	C	.	.			trans	-105.4	113.6	167.5	-52.6	0	0	0	0	108.1	N146	T125-N146 HydrophobicContact CG2-CB 4.08Å; T125-N146 VanDerWaalsContact O-CB 3.25Å; T125-N146 WeakPolarHBondContact O-CB 3.47Å; T125-N146 PolarHBondContact O-N 3.47Å
126	F	91.7	Very high	91.9	Very high	14 Å²	14	39.3 Å²	39.3	6%	0.061	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	164.5	170.6	-67.9	-72.8	0	0	0	111	N103 S104 I120 F121 I124 W143 H144 V145 V156	N103-F126 VanDerWaalsContact O-CB 3.25Å; N103-F126 WeakPolarHBondContact O-CB 3.5Å; S104-F126 VanDerWaalsContact C-CD2 3.47Å; S104-F126 WeakPolarHBondContact O-CD2 3.25Å; I120-F126 HydrophobicContact CB-CZ 4.49Å; I120-F126 HydrophobicContact CG2-CZ 4.33Å; F121-F126 HydrophobicContact CB-CE2 4.41Å; F121-F126 HydrophobicContact CB-CZ 4.33Å; F121-F126 HydrophobicContact CD2-CE1 4.27Å; F121-F126 AromaticContact CD2-CZ 3.67Å; F121-F126 HydrophobicContact CD2-CZ 3.67Å; F121-F126 HydrophobicContact CE2-CZ 4.5Å; F121-F126 HydrophobicContact CG-CZ 4.43Å; I124-F126 HydrophobicContact CG2-CD1 4.32Å; I124-F126 HydrophobicContact CG2-CD2 3.55Å; I124-F126 HydrophobicContact CG2-CE1 4.01Å; I124-F126 HydrophobicContact CG2-CE2 3.16Å; I124-F126 HydrophobicContact CG2-CG 4.14Å; I124-F126 HydrophobicContact CG2-CZ 3.45Å; I124-F126 VanDerWaalsContact CG2-CZ 3.45Å; F126-W143 HydrophobicContact CD1-CB 3.48Å; F126-W143 VanDerWaalsContact CD1-CB 3.48Å; F126-W143 HydrophobicContact CD1-CG 4.36Å; F126-W143 HydrophobicContact CE1-CB 3.69Å; F126-W143 HydrophobicContact CG-CB 4.01Å; F126-W143 HydrophobicContact CG-CG 4.49Å; F126-W143 HydrophobicContact CZ-CB 4.37Å; F126-H144 CarbonylContact C-O 3.57Å; F126-H144 WeakPolarHBondContact CA-O 3.39Å; F126-H144 WeakPolarHBondContact CD1-O 3.43Å; F126-V145 HydrophobicContact CE1-CG2 4.39Å; F126-V156 HydrophobicContact CE1-CG2 3.61Å; F126-V156 HydrophobicContact CZ-CG2 3.89Å
127	E	93.3	Very high	91.7	Very high	52 Å²	52	45.1 Å²	45.1	24%	0.243	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	156.9	167.6	-67.8	-174.5	-175.6	0	0	111.5	N129 H144	E127-N129 PolarHBondContact O-N 3.36Å; E127-H144 HydrophobicContact CG-CB 4.1Å; E127-H144 PolarHBondContact N-O 3.31Å
128	E	92.6	Very high	91.7	Very high	141 Å²	141	44.8 Å²	44.8	66%	0.659	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-62.6	-30.5	176.7	-66.2	-174.9	168.8	0	0	112.4	N103	N103-E128 WeakPolarHBondContact CB-O 3.12Å; N103-E128 PolarHBondContact ND2-O 3.3Å
129	N	93.5	Very high	91.7	Very high	36 Å²	36	44.8 Å²	44.8	19%	0.193	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	145.3	-179.2	-54.9	-58.7	0	0	0	110.8	K75 K76 Q77 E127	K75-N129 HydrophobicContact CD-CB 4.44Å; K75-N129 VanDerWaalsContact CE-CG 3.45Å; K75-N129 WeakPolarHBondContact CE-ND2 3.43Å; K75-N129 HydrophobicContact CG-CB 4.22Å; K76-N129 VanDerWaalsContact O-CA 3.27Å; K76-N129 WeakPolarHBondContact O-CA 3.25Å; K76-N129 WeakPolarHBondContact O-CB 3.25Å; K76-N129 PolarHBondContact O-OD1 3.37Å; Q77-N129 VanDerWaalsContact CA-OD1 3.29Å; Q77-N129 WeakPolarHBondContact CA-OD1 3.37Å; Q77-N129 VanDerWaalsContact CG-OD1 3.32Å; Q77-N129 WeakPolarHBondContact CG-OD1 3.31Å; E127-N129 PolarHBondContact O-N 3.36Å
130	F	95.1	Very high	91.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	160.7	171.5	59.7	-84.8	0	0	0	109.1	K76 S78 Q81 I101 N103 T132 V141 A142 W143	K76-F130 HydrophobicContact CB-CE1 4.5Å; K76-F130 HydrophobicContact CB-CE2 4.26Å; K76-F130 HydrophobicContact CB-CZ 4.27Å; K76-F130 WeakPolarHBondContact CB-O 3.37Å; K76-F130 HydrophobicContact CG-CE2 4.33Å; K76-F130 PolarHBondContact N-O 2.81Å; K76-F130 PolarHBondContact O-N 3.22Å; S78-F130 VanDerWaalsContact O-CE1 3.28Å; S78-F130 WeakPolarHBondContact O-CE1 3.4Å; Q81-F130 HydrophobicContact CB-CE2 3.85Å; Q81-F130 HydrophobicContact CB-CZ 3.63Å; I101-F130 HydrophobicContact CB-CE2 3.87Å; I101-F130 HydrophobicContact CB-CZ 4.22Å; I101-F130 HydrophobicContact CG2-CD2 3.91Å; I101-F130 HydrophobicContact CG2-CE2 3.42Å; I101-F130 VanDerWaalsContact CG2-CE2 3.42Å; I101-F130 HydrophobicContact CG2-CZ 4.02Å; I101-F130 WeakPolarHBondContact O-CZ 3.33Å; N103-F130 HydrophobicContact CB-CD1 3.58Å; N103-F130 HydrophobicContact CB-CE1 3.78Å; F130-T132 HydrophobicContact CD2-CG2 3.62Å; F130-T132 HydrophobicContact CE2-CG2 3.5Å; F130-V141 HydrophobicContact CD2-CG1 4.11Å; F130-A142 WeakPolarHBondContact CA-O 2.86Å; F130-A142 WeakPolarHBondContact CB-O 3.48Å; F130-W143 HydrophobicContact CB-CG 4.11Å
131	N	95.6	Very high	92	Very high	30 Å²	30	43.3 Å²	43.3	16%	0.16	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	143	-178.4	-50.1	-48.2	0	0	0	109.9	L73 S74 K75 V141 A142 H144	L73-N131 HydrophobicContact CB-CB 3.57Å; L73-N131 HydrophobicContact CD1-CB 4.21Å; S74-N131 WeakPolarHBondContact O-CA 3.44Å; K75-N131 VanDerWaalsContact CA-OD1 3.24Å; K75-N131 WeakPolarHBondContact CA-OD1 3.39Å; K75-N131 WeakPolarHBondContact CB-OD1 3.32Å; N131-V141 CarbonylContact O-C 3.51Å; N131-V141 WeakPolarHBondContact O-CA 3.49Å; N131-A142 HydrophobicContact CB-CB 4.36Å; N131-A142 PolarHBondContact N-O 3.46Å; N131-A142 PolarHBondContact O-N 2.82Å; N131-H144 PolarHBondContact ND2-NE2 3.05Å
132	T	96.4	Very high	92.5	Very high	8 Å²	8	43.4 Å²	43.4	5%	0.049	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	148.7	178.8	64.1	0	0	0	0	111.8	S74 K76 I83 F130 A140 V141	S74-T132 PolarHBondContact N-O 3.21Å; S74-T132 PolarHBondContact O-N 2.87Å; K76-T132 WeakPolarHBondContact CE-OG1 3.28Å; K76-T132 HydrophobicContact CG-CG2 4.17Å; I83-T132 HydrophobicContact CD1-CG2 4.26Å; F130-T132 HydrophobicContact CD2-CG2 3.62Å; F130-T132 HydrophobicContact CE2-CG2 3.5Å; T132-A140 CarbonylContact C-O 3.54Å; T132-A140 WeakPolarHBondContact CA-O 3.31Å; T132-V141 HydrophobicContact CG2-CG1 4.26Å; T132-V141 HydrophobicContact CG2-CG2 4.42Å
133	A	96.2	Very high	93.5	Very high	7 Å²	7	39.7 Å²	39.7	6%	0.058	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	147.8	161.6	0	0	0	0	0	110.1	L73 E135 F138 I139 A140	L73-A133 HydrophobicContact CD2-CB 3.59Å; A133-E135 HydrophobicContact CB-CG 4.43Å; A133-F138 HydrophobicContact CB-CE2 4.17Å; A133-I139 CarbonylContact O-C 3.58Å; A133-I139 WeakPolarHBondContact O-CA 3.28Å; A133-A140 HydrophobicContact CB-CB 4.2Å; A133-A140 PolarHBondContact N-O 3.08Å; A133-A140 PolarHBondContact O-N 3.35Å
134	N	96.3	Very high	94.4	Very high	35 Å²	35	37.1 Å²	37.1	19%	0.187	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	88.1	177.1	176.8	26.9	0	0	0	106.8	I83 T84 K86 I139	I83-N134 HydrophobicContact CG2-CB 3.89Å; T84-N134 PolarHBondContact O-ND2 2.98Å; K86-N134 VanDerWaalsContact CD-O 3.24Å; K86-N134 WeakPolarHBondContact CD-O 3.25Å; K86-N134 WeakPolarHBondContact CE-O 3.5Å; K86-N134 PolarHBondContact N-OD1 3.48Å; K86-N134 PolarHBondContact NZ-O 2.97Å; N134-I139 WeakPolarHBondContact OD1-CG1 3.36Å
135	E	95.4	Very high	94.8	Very high	71 Å²	71	36.4 Å²	36.4	33%	0.332	18%	0.183	S	C	.	.			trans	-105.8	176.5	-177.6	-55.1	-45.6	139.6	0	0	111	K86 F87 A133 E137 F138	K86-E135 IonicContact NZ-OE2 3.53Å; F87-E135 WeakPolarHBondContact CD1-O 3.2Å; F87-E135 WeakPolarHBondContact CE1-O 3.45Å; A133-E135 HydrophobicContact CB-CG 4.43Å; E135-E137 VanDerWaalsContact C-N 3.27Å; E135-F138 CarbonylContact C-O 3.56Å; E135-F138 WeakPolarHBondContact CA-O 3.37Å; E135-F138 HydrophobicContact CB-CZ 4.41Å; E135-F138 HydrophobicContact CG-CE2 4.2Å; E135-F138 HydrophobicContact CG-CZ 4.06Å; E135-F138 PolarHBondContact N-O 3.44Å
136	N	95.6	Very high	95	Very high	100 Å²	100	36 Å²	36	54%	0.535	18%	0.179	S	C	.	.	S	Bend	trans	-73.1	-26.7	179.4	-64.6	-37.3	0	0	0	111.5	F87	F87-N136 VanDerWaalsContact CD1-O 3.25Å; F87-N136 WeakPolarHBondContact CD1-O 3.37Å
137	E	94.9	Very high	94.8	Very high	122 Å²	122	41.1 Å²	41.1	57%	0.57	20%	0.203	S	C	*	.	S	Bend	trans	-94.9	-23.6	-174.8	-60.1	79.9	-177.4	0	0	113	E135 P162	E135-E137 VanDerWaalsContact C-N 3.27Å; E137-P162 WeakPolarHBondContact O-CD 3.39Å
138	F	96.5	Very high	94.6	Very high	21 Å²	21	47.4 Å²	47.4	9%	0.092	23%	0.232	C	C	.	.			trans	-165.2	161.4	-179.9	60.8	-93.5	0	0	0	112.6	V69 S70 A133 E135 A140 L159 I160 Y161	V69-F138 HydrophobicContact CG1-CE2 3.53Å; V69-F138 HydrophobicContact CG1-CZ 3.58Å; S70-F138 WeakPolarHBondContact O-CZ 3.24Å; A133-F138 HydrophobicContact CB-CE2 4.17Å; E135-F138 CarbonylContact C-O 3.56Å; E135-F138 WeakPolarHBondContact CA-O 3.37Å; E135-F138 HydrophobicContact CB-CZ 4.41Å; E135-F138 HydrophobicContact CG-CE2 4.2Å; E135-F138 HydrophobicContact CG-CZ 4.06Å; E135-F138 PolarHBondContact N-O 3.44Å; F138-A140 HydrophobicContact CD2-CB 3.91Å; F138-A140 HydrophobicContact CE2-CB 3.93Å; F138-L159 HydrophobicContact CD2-CD2 4.1Å; F138-I160 CarbonylContact C-O 3.57Å; F138-I160 VanDerWaalsContact CA-O 3.24Å; F138-I160 WeakPolarHBondContact CA-O 3.47Å; F138-Y161 HydrophobicContact CB-CD1 4.04Å; F138-Y161 HydrophobicContact CB-CE1 4.13Å
139	I	97.6	Very high	94.2	Very high	1 Å²	1	48 Å²	48	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	133.3	158.6	-63.9	166	0	0	0	107.1	I83 P85 F87 L99 A133 N134 L159 I160	I83-I139 HydrophobicContact CD1-CG2 4.27Å; I83-I139 HydrophobicContact CG2-CD1 4.16Å; P85-I139 HydrophobicContact CB-CD1 3.87Å; P85-I139 HydrophobicContact CG-CD1 3.89Å; F87-I139 HydrophobicContact CE1-CD1 4.41Å; F87-I139 HydrophobicContact CE1-CG1 4.03Å; F87-I139 HydrophobicContact CZ-CD1 3.95Å; F87-I139 HydrophobicContact CZ-CG1 3.86Å; L99-I139 HydrophobicContact CD1-CD1 3.73Å; L99-I139 HydrophobicContact CD1-CG2 4.4Å; A133-I139 CarbonylContact O-C 3.58Å; A133-I139 WeakPolarHBondContact O-CA 3.28Å; N134-I139 WeakPolarHBondContact OD1-CG1 3.36Å; I139-L159 CarbonylContact O-C 3.6Å; I139-L159 VanDerWaalsContact O-CA 3.31Å; I139-L159 WeakPolarHBondContact O-CA 3.37Å; I139-I160 HydrophobicContact CB-CB 4.3Å; I139-I160 PolarHBondContact N-O 3.26Å; I139-I160 PolarHBondContact O-N 3.39Å
140	A	97.6	Very high	93.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	140.5	177.5	0	0	0	0	0	110.4	V69 L73 T132 A133 F138 L157 Y158 L159	V69-A140 HydrophobicContact CG1-CB 4.3Å; L73-A140 HydrophobicContact CD2-CB 3.62Å; T132-A140 CarbonylContact C-O 3.54Å; T132-A140 WeakPolarHBondContact CA-O 3.31Å; A133-A140 HydrophobicContact CB-CB 4.2Å; A133-A140 PolarHBondContact N-O 3.08Å; A133-A140 PolarHBondContact O-N 3.35Å; F138-A140 HydrophobicContact CD2-CB 3.91Å; F138-A140 HydrophobicContact CE2-CB 3.93Å; A140-L157 HydrophobicContact CB-CD1 4.48Å; A140-Y158 CarbonylContact C-O 3.58Å; A140-Y158 WeakPolarHBondContact CA-O 3.41Å; A140-L159 HydrophobicContact CB-CD2 3.42Å; A140-L159 VanDerWaalsContact CB-CD2 3.42Å
141	V	97	Very high	93.5	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	126.4	171.4	-169.9	0	0	0	0	109	I101 F130 N131 T132 W143 Y158	I101-V141 HydrophobicContact CD1-CG2 4.02Å; I101-V141 HydrophobicContact CG1-CG2 4.2Å; I101-V141 HydrophobicContact CG2-CB 4.46Å; I101-V141 HydrophobicContact CG2-CG1 3.52Å; I101-V141 HydrophobicContact CG2-CG2 4.12Å; F130-V141 HydrophobicContact CD2-CG1 4.11Å; N131-V141 CarbonylContact O-C 3.51Å; N131-V141 WeakPolarHBondContact O-CA 3.49Å; T132-V141 HydrophobicContact CG2-CG1 4.26Å; T132-V141 HydrophobicContact CG2-CG2 4.42Å; V141-W143 HydrophobicContact CB-CE3 4.2Å; V141-W143 HydrophobicContact CB-CH2 3.73Å; V141-W143 HydrophobicContact CB-CZ2 4.32Å; V141-W143 HydrophobicContact CB-CZ3 3.63Å; V141-W143 HydrophobicContact CG1-CD2 3.8Å; V141-W143 HydrophobicContact CG1-CE3 3.63Å; V141-W143 HydrophobicContact CG1-CH2 3.31Å; V141-W143 HydrophobicContact CG1-CZ2 3.42Å; V141-W143 VanDerWaalsContact CG1-CZ2 3.42Å; V141-W143 HydrophobicContact CG1-CZ3 3.4Å; V141-W143 HydrophobicContact CG2-CH2 4.44Å; V141-Y158 PolarHBondContact N-O 2.58Å; V141-Y158 PolarHBondContact O-N 2.94Å
142	A	96.1	Very high	93	Very high	8 Å²	8	54.5 Å²	54.5	7%	0.066	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	125.4	175.7	0	0	0	0	0	110.6	L73 F130 N131 V156 L157	L73-A142 HydrophobicContact CD1-CB 3.74Å; F130-A142 WeakPolarHBondContact CA-O 2.86Å; F130-A142 WeakPolarHBondContact CB-O 3.48Å; N131-A142 HydrophobicContact CB-CB 4.36Å; N131-A142 PolarHBondContact N-O 3.46Å; N131-A142 PolarHBondContact O-N 2.82Å; A142-V156 CarbonylContact C-O 3.56Å; A142-V156 VanDerWaalsContact CA-O 3.24Å; A142-V156 WeakPolarHBondContact CA-O 3.48Å; A142-L157 HydrophobicContact CB-CD1 4.2Å
143	W	95.4	Very high	92.7	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	145.1	171.7	-60.2	-102.3	0	0	0	110	I101 L102 I107 I120 F126 F130 V141 S155 V156	I101-W143 HydrophobicContact CG2-CH2 4.32Å; I101-W143 HydrophobicContact CG2-CZ2 3.61Å; L102-W143 PolarHBondContact O-NE1 2.97Å; I107-W143 HydrophobicContact CD1-CH2 3.92Å; I107-W143 HydrophobicContact CG1-CH2 3.78Å; I107-W143 HydrophobicContact CG1-CZ2 4.2Å; I120-W143 HydrophobicContact CD1-CZ3 4.33Å; I120-W143 HydrophobicContact CG1-CE3 4.45Å; I120-W143 HydrophobicContact CG1-CH2 4.03Å; I120-W143 HydrophobicContact CG1-CZ3 3.91Å; F126-W143 HydrophobicContact CD1-CB 3.48Å; F126-W143 VanDerWaalsContact CD1-CB 3.48Å; F126-W143 HydrophobicContact CD1-CG 4.36Å; F126-W143 HydrophobicContact CE1-CB 3.69Å; F126-W143 HydrophobicContact CG-CB 4.01Å; F126-W143 HydrophobicContact CG-CG 4.49Å; F126-W143 HydrophobicContact CZ-CB 4.37Å; F130-W143 HydrophobicContact CB-CG 4.11Å; V141-W143 HydrophobicContact CB-CE3 4.2Å; V141-W143 HydrophobicContact CB-CH2 3.73Å; V141-W143 HydrophobicContact CB-CZ2 4.32Å; V141-W143 HydrophobicContact CB-CZ3 3.63Å; V141-W143 HydrophobicContact CG1-CD2 3.8Å; V141-W143 HydrophobicContact CG1-CE3 3.63Å; V141-W143 HydrophobicContact CG1-CH2 3.31Å; V141-W143 HydrophobicContact CG1-CZ2 3.42Å; V141-W143 VanDerWaalsContact CG1-CZ2 3.42Å; V141-W143 HydrophobicContact CG1-CZ3 3.4Å; V141-W143 HydrophobicContact CG2-CH2 4.44Å; W143-S155 CarbonylContact O-C 3.53Å; W143-S155 VanDerWaalsContact O-CA 3.24Å; W143-S155 WeakPolarHBondContact O-CA 3.49Å; W143-S155 WeakPolarHBondContact O-CB 3.21Å; W143-V156 HydrophobicContact CB-CG2 3.71Å; W143-V156 HydrophobicContact CD2-CG2 4.36Å; W143-V156 HydrophobicContact CE3-CG2 3.84Å; W143-V156 HydrophobicContact CG-CG2 4.4Å; W143-V156 PolarHBondContact N-O 2.84Å; W143-V156 PolarHBondContact O-N 3.39Å
144	H	94.3	Very high	92.5	Very high	64 Å²	64	54.5 Å²	54.5	30%	0.296	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	137.1	174.5	-65.2	-81.3	0	0	0	109.4	F126 E127 N131	F126-H144 CarbonylContact C-O 3.57Å; F126-H144 WeakPolarHBondContact CA-O 3.39Å; F126-H144 WeakPolarHBondContact CD1-O 3.43Å; E127-H144 HydrophobicContact CG-CB 4.1Å; E127-H144 PolarHBondContact N-O 3.31Å; N131-H144 PolarHBondContact ND2-NE2 3.05Å
145	V	92.2	Very high	92.3	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	138.3	176.4	177.9	0	0	0	0	108.8	I124 F126 Q147 Y150 G154 P174	I124-V145 HydrophobicContact CD1-CB 4.38Å; I124-V145 HydrophobicContact CD1-CG1 3.92Å; I124-V145 HydrophobicContact CD1-CG2 3.54Å; I124-V145 HydrophobicContact CG1-CG1 4.15Å; I124-V145 HydrophobicContact CG1-CG2 4.41Å; F126-V145 HydrophobicContact CE1-CG2 4.39Å; V145-Q147 PolarHBondContact O-N 2.94Å; V145-Y150 HydrophobicContact CG1-CD2 3.33Å; V145-Y150 HydrophobicContact CG1-CE2 4.22Å; V145-Y150 HydrophobicContact CG1-CG 3.79Å; V145-G154 PolarHBondContact N-O 2.88Å; V145-P174 HydrophobicContact CG1-CG 4.49Å
146	N	91	Very high	92.3	Very high	45 Å²	45	50.5 Å²	50.5	24%	0.241	25%	0.25	C	C	.	.			trans	-65.7	107.9	-178.6	-173.9	-41.6	0	0	0	111.3	T125 H148 R149 Y150	T125-N146 HydrophobicContact CG2-CB 4.08Å; T125-N146 VanDerWaalsContact O-CB 3.25Å; T125-N146 WeakPolarHBondContact O-CB 3.47Å; T125-N146 PolarHBondContact O-N 3.47Å; N146-H148 PolarHBondContact O-N 2.73Å; N146-H148 VanDerWaalsContact OD1-CB 3.24Å; N146-H148 WeakPolarHBondContact OD1-CB 3.36Å; N146-H148 PolarHBondContact OD1-N 2.69Å; N146-R149 PolarHBondContact O-N 2.83Å; N146-R149 VanDerWaalsContact O-N 3.07Å; N146-Y150 PolarHBondContact O-N 2.89Å
147	Q	88.8	Confident	92.3	Very high	121 Å²	121	46.7 Å²	46.7	57%	0.565	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-20.3	-176.1	-66.1	-176.7	0.5	0	0	114.5	V145 R149 Y150 P151	V145-Q147 PolarHBondContact O-N 2.94Å; Q147-R149 VanDerWaalsContact C-N 3.28Å; Q147-R149 PolarHBondContact O-N 3.01Å; Q147-Y150 WeakPolarHBondContact CA-O 3.43Å; Q147-Y150 CarbonylContact O-C 3.52Å; Q147-P151 WeakPolarHBondContact O-CA 3.22Å
148	H	88.9	Confident	92.5	Very high	183 Å²	183	41 Å²	41	85%	0.847	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-32.9	174.4	-175.6	66.2	0	0	0	111.7	N146	N146-H148 PolarHBondContact O-N 2.73Å; N146-H148 VanDerWaalsContact OD1-CB 3.24Å; N146-H148 WeakPolarHBondContact OD1-CB 3.36Å; N146-H148 PolarHBondContact OD1-N 2.69Å
149	R	84.6	Confident	92.5	Very high	155 Å²	155	40.1 Å²	40.1	59%	0.585	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-31.8	177.9	-170.8	172.7	-179.5	128.9	4.2	112.5	N146 Q147	N146-R149 PolarHBondContact O-N 2.83Å; N146-R149 VanDerWaalsContact O-N 3.07Å; Q147-R149 VanDerWaalsContact C-N 3.28Å; Q147-R149 PolarHBondContact O-N 3.01Å
150	Y	86.3	Confident	92.6	Very high	21 Å²	21	40.4 Å²	40.4	8%	0.082	20%	0.2	C	C	.	.			trans	-132.5	84.7	-173.8	-58	-65.6	0	0	0	109.3	I124 V145 N146 Q147 E152 G153 P174 I177	I124-Y150 HydrophobicContact CG1-CD2 4.49Å; I124-Y150 HydrophobicContact CG1-CE2 3.97Å; V145-Y150 HydrophobicContact CG1-CD2 3.33Å; V145-Y150 HydrophobicContact CG1-CE2 4.22Å; V145-Y150 HydrophobicContact CG1-CG 3.79Å; N146-Y150 PolarHBondContact O-N 2.89Å; Q147-Y150 WeakPolarHBondContact CA-O 3.43Å; Q147-Y150 CarbonylContact O-C 3.52Å; Y150-E152 WeakPolarHBondContact CB-OE1 3.39Å; Y150-E152 PolarHBondContact O-N 2.96Å; Y150-E152 VanDerWaalsContact O-N 3.17Å; Y150-G153 WeakPolarHBondContact O-CA 3.47Å; Y150-G153 PolarHBondContact O-N 3.22Å; Y150-P174 HydrophobicContact CD1-CG 4.5Å; Y150-P174 HydrophobicContact CG-CG 4.38Å; Y150-I177 HydrophobicContact CD1-CD1 3.51Å; Y150-I177 HydrophobicContact CD1-CG1 3.74Å; Y150-I177 HydrophobicContact CD2-CD1 4.09Å; Y150-I177 HydrophobicContact CE1-CD1 3.38Å; Y150-I177 HydrophobicContact CE1-CG1 3.38Å; Y150-I177 HydrophobicContact CE2-CD1 3.95Å; Y150-I177 HydrophobicContact CG-CD1 3.86Å
151	P	86.5	Confident	92.6	Very high	104 Å²	104	43.4 Å²	43.4	68%	0.675	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-30.6	-170	-27.6	36.2	0	0	0	115.3	Q147 G153	Q147-P151 WeakPolarHBondContact O-CA 3.22Å; P151-G153 PolarHBondContact O-N 3.38Å
152	E	86.5	Confident	92.6	Very high	76 Å²	76	46 Å²	46	36%	0.355	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.9	173.3	63.3	-73.4	165.3	0	0	113.2	Y150 N172 P174	Y150-E152 WeakPolarHBondContact CB-OE1 3.39Å; Y150-E152 PolarHBondContact O-N 2.96Å; Y150-E152 VanDerWaalsContact O-N 3.17Å; E152-N172 PolarHBondContact O-ND2 2.83Å; E152-P174 HydrophobicContact CG-CB 3.9Å; E152-P174 HydrophobicContact CG-CG 3.68Å; E152-P174 WeakPolarHBondContact OE1-CB 3.05Å; E152-P174 WeakPolarHBondContact OE1-CG 3.44Å
153	G	88.9	Confident	92.6	Very high	2 Å²	2	50.7 Å²	50.7	2%	0.021	25%	0.253	C	S	.	.			trans	70.4	-138.7	179.9	0	0	0	0	0	112.1	Y150 P151 P174	Y150-G153 WeakPolarHBondContact O-CA 3.47Å; Y150-G153 PolarHBondContact O-N 3.22Å; P151-G153 PolarHBondContact O-N 3.38Å; G153-P174 WeakPolarHBondContact O-CD 3.48Å; G153-P174 VanDerWaalsContact O-CG 3.31Å; G153-P174 WeakPolarHBondContact O-CG 3.37Å
154	G	91.5	Very high	92.7	Very high	14 Å²	14	50.7 Å²	50.7	14%	0.144	25%	0.253	C	S	.	.			trans	127.1	156.3	-175.1	0	0	0	0	0	111.7	V145 D171 N172	V145-G154 PolarHBondContact N-O 2.88Å; G154-D171 CarbonylContact C-O 3.5Å; G154-D171 VanDerWaalsContact CA-O 3.27Å; G154-D171 WeakPolarHBondContact CA-O 3.49Å; G154-N172 WeakPolarHBondContact CA-O 3.13Å
155	S	93.6	Very high	92.8	Very high	22 Å²	22	50 Å²	50	15%	0.154	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	158.7	175.5	76	0	0	0	0	111.6	W143 D171	W143-S155 CarbonylContact O-C 3.53Å; W143-S155 VanDerWaalsContact O-CA 3.24Å; W143-S155 WeakPolarHBondContact O-CA 3.49Å; W143-S155 WeakPolarHBondContact O-CB 3.21Å; S155-D171 PolarHBondContact N-O 3.38Å; S155-D171 PolarHBondContact O-N 2.85Å; S155-D171 VanDerWaalsContact O-O 3.14Å; S155-D171 WeakPolarHBondContact OG-CB 3.48Å
156	V	94.7	Very high	93.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	131.6	175.8	-64.1	0	0	0	0	108.3	I120 F121 F126 A142 W143 L168 Y169 F170 I173	I120-V156 HydrophobicContact CG2-CB 4.02Å; I120-V156 HydrophobicContact CG2-CG1 4.05Å; I120-V156 HydrophobicContact CG2-CG2 3.84Å; F121-V156 HydrophobicContact CD2-CG1 4.21Å; F121-V156 HydrophobicContact CE2-CG1 3.41Å; F121-V156 VanDerWaalsContact CE2-CG1 3.41Å; F121-V156 HydrophobicContact CZ-CG1 3.99Å; F126-V156 HydrophobicContact CE1-CG2 3.61Å; F126-V156 HydrophobicContact CZ-CG2 3.89Å; A142-V156 CarbonylContact C-O 3.56Å; A142-V156 VanDerWaalsContact CA-O 3.24Å; A142-V156 WeakPolarHBondContact CA-O 3.48Å; W143-V156 HydrophobicContact CB-CG2 3.71Å; W143-V156 HydrophobicContact CD2-CG2 4.36Å; W143-V156 HydrophobicContact CE3-CG2 3.84Å; W143-V156 HydrophobicContact CG-CG2 4.4Å; W143-V156 PolarHBondContact N-O 2.84Å; W143-V156 PolarHBondContact O-N 3.39Å; V156-L168 HydrophobicContact CB-CD1 4.24Å; V156-Y169 WeakPolarHBondContact CA-O 3.46Å; V156-F170 HydrophobicContact CG1-CD1 3.81Å; V156-F170 HydrophobicContact CG1-CE1 4.27Å; V156-I173 HydrophobicContact CG1-CD1 3.9Å
157	L	96.4	Very high	93.5	Very high	20 Å²	20	48.2 Å²	48.2	11%	0.105	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	120.6	177	174.4	64.9	0	0	0	108.8	V69 L73 A140 A142 L159 L168 Y169	V69-L157 HydrophobicContact CG2-CD1 4.26Å; V69-L157 HydrophobicContact CG2-CD2 3.78Å; L73-L157 HydrophobicContact CD1-CD1 4.44Å; A140-L157 HydrophobicContact CB-CD1 4.48Å; A142-L157 HydrophobicContact CB-CD1 4.2Å; L157-L159 HydrophobicContact CD1-CD2 4.4Å; L157-L159 HydrophobicContact CD2-CD1 4.36Å; L157-L159 HydrophobicContact CG-CG 4.33Å; L157-L168 CarbonylContact O-C 3.53Å; L157-L168 WeakPolarHBondContact O-CA 3.3Å; L157-Y169 PolarHBondContact N-O 2.93Å; L157-Y169 PolarHBondContact O-N 3.23Å
158	Y	97.6	Very high	93.9	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.008	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	129.9	174.5	-154.8	-80.4	0	0	0	109.9	I107 I118 I120 A140 V141 I160 M166 S167 L168	I107-Y158 HydrophobicContact CD1-CD1 4.19Å; I107-Y158 HydrophobicContact CD1-CG 4.45Å; I118-Y158 HydrophobicContact CD1-CE1 3.86Å; I118-Y158 WeakPolarHBondContact CD1-OH 3.2Å; I118-Y158 HydrophobicContact CG2-CD2 4.34Å; I118-Y158 HydrophobicContact CG2-CE2 3.64Å; I120-Y158 HydrophobicContact CD1-CD2 3.36Å; I120-Y158 HydrophobicContact CD1-CE2 3.8Å; I120-Y158 HydrophobicContact CD1-CG 4.26Å; A140-Y158 CarbonylContact C-O 3.58Å; A140-Y158 WeakPolarHBondContact CA-O 3.41Å; V141-Y158 PolarHBondContact N-O 2.58Å; V141-Y158 PolarHBondContact O-N 2.94Å; Y158-I160 HydrophobicContact CD1-CD1 4.38Å; Y158-I160 HydrophobicContact CD1-CG1 3.84Å; Y158-I160 HydrophobicContact CE1-CD1 4.28Å; Y158-I160 HydrophobicContact CE1-CG1 3.74Å; Y158-M166 HydrophobicContact CE1-CB 3.81Å; Y158-M166 HydrophobicContact CE1-CG 4.07Å; Y158-M166 HydrophobicContact CE1-SD 4.09Å; Y158-M166 PolarHBondContact OH-SD 3.2Å; Y158-S167 CarbonylContact C-O 3.52Å; Y158-S167 WeakPolarHBondContact CA-O 3.49Å; Y158-L168 HydrophobicContact CD2-CB 3.79Å; Y158-L168 HydrophobicContact CD2-CD1 4Å; Y158-L168 HydrophobicContact CD2-CD2 4.39Å; Y158-L168 HydrophobicContact CD2-CG 4.26Å; Y158-L168 HydrophobicContact CE2-CB 3.92Å; Y158-L168 HydrophobicContact CE2-CD2 4.4Å
159	L	97.7	Very high	94.3	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.016	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	139.4	176.2	-61	163.4	0	0	0	109.9	P67 V69 F138 I139 A140 L157 Y161 M166 S167	P67-L159 HydrophobicContact CB-CD1 3.63Å; P67-L159 HydrophobicContact CG-CD1 4.17Å; V69-L159 HydrophobicContact CG2-CD1 4.31Å; V69-L159 HydrophobicContact CG2-CD2 3.88Å; F138-L159 HydrophobicContact CD2-CD2 4.1Å; I139-L159 CarbonylContact O-C 3.6Å; I139-L159 VanDerWaalsContact O-CA 3.31Å; I139-L159 WeakPolarHBondContact O-CA 3.37Å; A140-L159 HydrophobicContact CB-CD2 3.42Å; A140-L159 VanDerWaalsContact CB-CD2 3.42Å; L157-L159 HydrophobicContact CD1-CD2 4.4Å; L157-L159 HydrophobicContact CD2-CD1 4.36Å; L157-L159 HydrophobicContact CG-CG 4.33Å; L159-Y161 HydrophobicContact CB-CE2 3.93Å; L159-Y161 WeakPolarHBondContact CD1-OH 3.23Å; L159-M166 CarbonylContact O-C 3.55Å; L159-M166 WeakPolarHBondContact O-CA 3.38Å; L159-S167 WeakPolarHBondContact CB-OG 3.23Å; L159-S167 PolarHBondContact N-O 3.25Å; L159-S167 PolarHBondContact O-N 2.95Å
160	I	98.2	Very high	94.7	Very high	6 Å²	6	27 Å²	27	3%	0.031	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	126.6	175.4	-55	172.1	0	0	0	107.7	L89 L99 F138 I139 Y158 M166	L89-I160 HydrophobicContact CD1-CG2 3.63Å; L89-I160 HydrophobicContact CD2-CG2 3.81Å; L89-I160 HydrophobicContact CG-CG2 4.4Å; L99-I160 HydrophobicContact CD1-CD1 3.78Å; F138-I160 CarbonylContact C-O 3.57Å; F138-I160 VanDerWaalsContact CA-O 3.24Å; F138-I160 WeakPolarHBondContact CA-O 3.47Å; I139-I160 HydrophobicContact CB-CB 4.3Å; I139-I160 PolarHBondContact N-O 3.26Å; I139-I160 PolarHBondContact O-N 3.39Å; Y158-I160 HydrophobicContact CD1-CD1 4.38Å; Y158-I160 HydrophobicContact CD1-CG1 3.84Å; Y158-I160 HydrophobicContact CE1-CD1 4.28Å; Y158-I160 HydrophobicContact CE1-CG1 3.74Å; I160-M166 HydrophobicContact CG1-CG 4.2Å; I160-M166 HydrophobicContact CG2-CG 4.32Å
161	Y	97.7	Very high	95	Very high	64 Å²	64	29 Å²	29	25%	0.251	16%	0.159	S	C	.	.			trans	-107	157.9	-176.3	-61.2	-80.9	0	0	0	112	F138 L159 N163 G164 K165	F138-Y161 HydrophobicContact CB-CD1 4.04Å; F138-Y161 HydrophobicContact CB-CE1 4.13Å; L159-Y161 HydrophobicContact CB-CE2 3.93Å; L159-Y161 WeakPolarHBondContact CD1-OH 3.23Å; Y161-N163 WeakPolarHBondContact CB-OD1 3.44Å; Y161-N163 PolarHBondContact O-N 2.97Å; Y161-N163 VanDerWaalsContact O-N 3.17Å; Y161-G164 PolarHBondContact O-N 3.25Å; Y161-K165 HydrophobicContact CD2-CB 4.13Å; Y161-K165 HydrophobicContact CD2-CD 4.48Å; Y161-K165 HydrophobicContact CD2-CG 4.18Å; Y161-K165 WeakPolarHBondContact CD2-O 3.24Å; Y161-K165 PolarHBondContact N-O 2.9Å
162	P	97.6	Very high	95.1	Very high	54 Å²	54	27.9 Å²	27.9	35%	0.351	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-32.3	179.9	-29	33.2	0	0	0	115.5	F87 E137 G164	F87-P162 HydrophobicContact CB-CB 4.27Å; F87-P162 HydrophobicContact CB-CG 4.25Å; F87-P162 HydrophobicContact CD1-CG 3.97Å; F87-P162 VanDerWaalsContact CD2-CA 3.5Å; F87-P162 HydrophobicContact CD2-CB 3.86Å; F87-P162 HydrophobicContact CD2-CG 3.93Å; F87-P162 HydrophobicContact CE1-CG 4.25Å; F87-P162 HydrophobicContact CE2-CB 4.34Å; F87-P162 HydrophobicContact CE2-CG 4.2Å; F87-P162 HydrophobicContact CG-CB 4.04Å; F87-P162 HydrophobicContact CG-CG 3.78Å; F87-P162 HydrophobicContact CZ-CG 4.35Å; E137-P162 WeakPolarHBondContact O-CD 3.39Å; P162-G164 PolarHBondContact O-N 3.18Å
163	N	96.2	Very high	95	Very high	107 Å²	107	24.6 Å²	24.6	57%	0.572	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	1.8	177.4	68.2	-11.6	0	0	0	113.6	Y161 K165	Y161-N163 WeakPolarHBondContact CB-OD1 3.44Å; Y161-N163 PolarHBondContact O-N 2.97Å; Y161-N163 VanDerWaalsContact O-N 3.17Å; N163-K165 VanDerWaalsContact C-N 3.29Å; N163-K165 WeakPolarHBondContact OD1-CB 3.28Å; N163-K165 PolarHBondContact OD1-N 3.49Å
164	G	97	Very high	94.3	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.01	13%	0.132	C	C	.	.	S	Bend	trans	83	0.8	-176.7	0	0	0	0	0	114.2	Y161 P162	Y161-G164 PolarHBondContact O-N 3.25Å; P162-G164 PolarHBondContact O-N 3.18Å
165	K	97.9	Very high	93.2	Very high	50 Å²	50	32.2 Å²	32.2	22%	0.217	16%	0.164	C	C	.	.			trans	-63.7	141.7	168.9	-176.8	177.6	176.5	177.8	0	109.2	Y161 N163 E221 F222	Y161-K165 HydrophobicContact CD2-CB 4.13Å; Y161-K165 HydrophobicContact CD2-CD 4.48Å; Y161-K165 HydrophobicContact CD2-CG 4.18Å; Y161-K165 WeakPolarHBondContact CD2-O 3.24Å; Y161-K165 PolarHBondContact N-O 2.9Å; N163-K165 VanDerWaalsContact C-N 3.29Å; N163-K165 WeakPolarHBondContact OD1-CB 3.28Å; N163-K165 PolarHBondContact OD1-N 3.49Å; K165-E221 WeakPolarHBondContact CE-OE1 3.3Å; K165-E221 IonicContact NZ-OE1 2.58Å; K165-E221 PolarHBondContact NZ-OE1 2.69Å; K165-F222 CarbonylContact C-O 3.6Å; K165-F222 WeakPolarHBondContact CA-O 3.34Å
166	M	98.3	Very high	91.9	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.02	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	144.4	174.4	-60.2	174	-71.1	0	0	109.6	Y56 Y91 I118 Y158 L159 I160 I186 E221 F222	Y56-M166 HydrophobicContact CD1-CE 4.36Å; Y56-M166 HydrophobicContact CE1-CE 3.66Å; Y91-M166 HydrophobicContact CD2-CE 4.13Å; Y91-M166 HydrophobicContact CD2-SD 4.13Å; Y91-M166 HydrophobicContact CE2-CE 3.93Å; Y91-M166 HydrophobicContact CE2-SD 4.11Å; I118-M166 HydrophobicContact CD1-SD 4.03Å; Y158-M166 HydrophobicContact CE1-CB 3.81Å; Y158-M166 HydrophobicContact CE1-CG 4.07Å; Y158-M166 HydrophobicContact CE1-SD 4.09Å; Y158-M166 PolarHBondContact OH-SD 3.2Å; L159-M166 CarbonylContact O-C 3.55Å; L159-M166 WeakPolarHBondContact O-CA 3.38Å; I160-M166 HydrophobicContact CG1-CG 4.2Å; I160-M166 HydrophobicContact CG2-CG 4.32Å; M166-I186 HydrophobicContact CE-CD1 3.69Å; M166-E221 CarbonylContact O-C 3.55Å; M166-E221 WeakPolarHBondContact O-CA 3.3Å; M166-F222 HydrophobicContact CB-CB 4.38Å; M166-F222 HydrophobicContact CB-CD2 4.41Å; M166-F222 HydrophobicContact CE-CB 3.92Å; M166-F222 HydrophobicContact CE-CG 4.45Å; M166-F222 PolarHBondContact N-O 3.47Å; M166-F222 PolarHBondContact O-N 3.45Å
167	S	97.7	Very high	90.3	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	138.1	172.7	65.1	0	0	0	0	111.1	Y158 L159 V220	Y158-S167 CarbonylContact C-O 3.52Å; Y158-S167 WeakPolarHBondContact CA-O 3.49Å; L159-S167 WeakPolarHBondContact CB-OG 3.23Å; L159-S167 PolarHBondContact N-O 3.25Å; L159-S167 PolarHBondContact O-N 2.95Å; S167-V220 CarbonylContact C-O 3.52Å; S167-V220 VanDerWaalsContact CA-O 3.25Å; S167-V220 WeakPolarHBondContact CA-O 3.2Å
168	L	97.5	Very high	88.5	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	123.1	175.6	169.4	55.7	0	0	0	108.5	I120 V156 L157 Y158 F170 I209 V220	I120-L168 HydrophobicContact CD1-CD1 4.29Å; I120-L168 HydrophobicContact CD1-CD2 4.27Å; I120-L168 HydrophobicContact CG2-CD1 4.07Å; I120-L168 HydrophobicContact CG2-CD2 4.4Å; V156-L168 HydrophobicContact CB-CD1 4.24Å; L157-L168 CarbonylContact O-C 3.53Å; L157-L168 WeakPolarHBondContact O-CA 3.3Å; Y158-L168 HydrophobicContact CD2-CB 3.79Å; Y158-L168 HydrophobicContact CD2-CD1 4Å; Y158-L168 HydrophobicContact CD2-CD2 4.39Å; Y158-L168 HydrophobicContact CD2-CG 4.26Å; Y158-L168 HydrophobicContact CE2-CB 3.92Å; Y158-L168 HydrophobicContact CE2-CD2 4.4Å; L168-F170 HydrophobicContact CD1-CD1 4.07Å; L168-F170 HydrophobicContact CD1-CE1 3.7Å; L168-F170 HydrophobicContact CD1-CZ 4.47Å; L168-F170 HydrophobicContact CD2-CE1 3.53Å; L168-F170 HydrophobicContact CD2-CZ 3.52Å; L168-F170 HydrophobicContact CG-CD1 4.17Å; L168-F170 HydrophobicContact CG-CE1 3.58Å; L168-F170 HydrophobicContact CG-CZ 3.85Å; L168-I209 HydrophobicContact CD2-CD1 3.72Å; L168-V220 HydrophobicContact CB-CB 4.37Å; L168-V220 PolarHBondContact N-O 2.72Å; L168-V220 PolarHBondContact O-N 2.81Å
169	Y	97.3	Very high	86.6	Confident	14 Å²	14	42.9 Å²	42.9	6%	0.055	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	133.5	175.7	-179.4	-96.8	0	0	0	110.6	Q64 P66 V156 L157 D171 T218 L219	Q64-Y169 HydrophobicContact CB-CE2 4.48Å; Q64-Y169 WeakPolarHBondContact O-CE2 3.2Å; Q64-Y169 PolarHBondContact O-OH 3.43Å; P66-Y169 HydrophobicContact CB-CD1 3.94Å; P66-Y169 HydrophobicContact CB-CE1 3.71Å; P66-Y169 HydrophobicContact CB-CG 4.48Å; P66-Y169 WeakPolarHBondContact CD-OH 3.37Å; P66-Y169 HydrophobicContact CG-CD1 4.25Å; P66-Y169 HydrophobicContact CG-CE1 3.5Å; V156-Y169 WeakPolarHBondContact CA-O 3.46Å; L157-Y169 PolarHBondContact N-O 2.93Å; L157-Y169 PolarHBondContact O-N 3.23Å; Y169-D171 HydrophobicContact CD1-CB 4.19Å; Y169-D171 HydrophobicContact CE1-CB 3.69Å; Y169-T218 WeakPolarHBondContact CA-O 3.31Å; Y169-L219 HydrophobicContact CD2-CB 4.36Å; Y169-L219 HydrophobicContact CD2-CD1 4.41Å
170	F	94.2	Very high	84.8	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	113.8	178.3	-65.6	-36.8	0	0	0	110.2	I120 F121 V156 L168 I173 I209 I214 K215 S216 G217 T218 V220	I120-F170 HydrophobicContact CG2-CE1 4.45Å; F121-F170 HydrophobicContact CE1-CD1 4.26Å; F121-F170 AromaticContact CE1-CE1 3.64Å; F121-F170 HydrophobicContact CE1-CE1 3.64Å; F121-F170 AromaticContact CE1-CZ 3.93Å; F121-F170 HydrophobicContact CE1-CZ 3.93Å; F121-F170 HydrophobicContact CE2-CD1 4.39Å; F121-F170 HydrophobicContact CE2-CE1 4.32Å; F121-F170 AromaticContact CZ-CD1 3.59Å; F121-F170 HydrophobicContact CZ-CD1 3.59Å; F121-F170 AromaticContact CZ-CE1 3.41Å; F121-F170 HydrophobicContact CZ-CE1 3.41Å; F121-F170 VanDerWaalsContact CZ-CE1 3.41Å; F121-F170 HydrophobicContact CZ-CG 4.36Å; F121-F170 HydrophobicContact CZ-CZ 4.1Å; V156-F170 HydrophobicContact CG1-CD1 3.81Å; V156-F170 HydrophobicContact CG1-CE1 4.27Å; L168-F170 HydrophobicContact CD1-CD1 4.07Å; L168-F170 HydrophobicContact CD1-CE1 3.7Å; L168-F170 HydrophobicContact CD1-CZ 4.47Å; L168-F170 HydrophobicContact CD2-CE1 3.53Å; L168-F170 HydrophobicContact CD2-CZ 3.52Å; L168-F170 HydrophobicContact CG-CD1 4.17Å; L168-F170 HydrophobicContact CG-CE1 3.58Å; L168-F170 HydrophobicContact CG-CZ 3.85Å; F170-I173 HydrophobicContact CB-CD1 4.3Å; F170-I173 HydrophobicContact CB-CG1 3.68Å; F170-I173 HydrophobicContact CD1-CD1 4.48Å; F170-I173 HydrophobicContact CD1-CG1 4.44Å; F170-I173 HydrophobicContact CG-CG1 4.19Å; F170-I209 HydrophobicContact CZ-CD1 4.12Å; F170-I214 HydrophobicContact CE2-CB 4.37Å; F170-I214 HydrophobicContact CE2-CG1 4.2Å; F170-I214 HydrophobicContact CE2-CG2 4.19Å; F170-I214 HydrophobicContact CZ-CG2 4.44Å; F170-K215 WeakPolarHBondContact CB-O 3.26Å; F170-S216 CarbonylContact O-C 3.57Å; F170-G217 PolarHBondContact O-N 3.09Å; F170-T218 HydrophobicContact CD2-CG2 4.2Å; F170-T218 PolarHBondContact N-O 3.12Å; F170-V220 HydrophobicContact CE2-CG2 4.36Å
171	D	93	Very high	83.4	Confident	63 Å²	63	50.4 Å²	50.4	34%	0.337	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	121.7	178.3	-165.9	23.8	0	0	0	110.9	G154 S155 Y169 I173	G154-D171 CarbonylContact C-O 3.5Å; G154-D171 VanDerWaalsContact CA-O 3.27Å; G154-D171 WeakPolarHBondContact CA-O 3.49Å; S155-D171 PolarHBondContact N-O 3.38Å; S155-D171 PolarHBondContact O-N 2.85Å; S155-D171 VanDerWaalsContact O-O 3.14Å; S155-D171 WeakPolarHBondContact OG-CB 3.48Å; Y169-D171 HydrophobicContact CD1-CB 4.19Å; Y169-D171 HydrophobicContact CE1-CB 3.69Å; D171-I173 VanDerWaalsContact C-N 3.3Å; D171-I173 PolarHBondContact O-N 3.13Å
172	N	88.6	Confident	82.6	Confident	80 Å²	80	47.5 Å²	47.5	43%	0.428	27%	0.267	S	S	.	.	S	Bend	trans	47.9	47.3	175.8	-163.6	39.5	0	0	0	114.2	E152 G154 P174 S216	E152-N172 PolarHBondContact O-ND2 2.83Å; G154-N172 WeakPolarHBondContact CA-O 3.13Å; N172-P174 WeakPolarHBondContact O-CD 3.45Å; N172-S216 VanDerWaalsContact CA-OG 3.3Å; N172-S216 WeakPolarHBondContact CA-OG 3.3Å; N172-S216 PolarHBondContact N-OG 3.49Å
173	I	82.5	Confident	82.2	Confident	7 Å²	7	47.5 Å²	47.5	4%	0.036	26%	0.262	C	S	.	.			trans	-67.1	126.9	177.6	-57.1	-55.3	0	0	0	109.9	F121 V156 F170 D171 Q175 L182	F121-I173 HydrophobicContact CE2-CD1 3.62Å; F121-I173 HydrophobicContact CE2-CG1 4.42Å; F121-I173 HydrophobicContact CZ-CD1 3.76Å; F121-I173 HydrophobicContact CZ-CG1 4.09Å; F121-I173 HydrophobicContact CZ-CG2 4.32Å; V156-I173 HydrophobicContact CG1-CD1 3.9Å; F170-I173 HydrophobicContact CB-CD1 4.3Å; F170-I173 HydrophobicContact CB-CG1 3.68Å; F170-I173 HydrophobicContact CD1-CD1 4.48Å; F170-I173 HydrophobicContact CD1-CG1 4.44Å; F170-I173 HydrophobicContact CG-CG1 4.19Å; D171-I173 VanDerWaalsContact C-N 3.3Å; D171-I173 PolarHBondContact O-N 3.13Å; I173-Q175 PolarHBondContact O-N 3.5Å; I173-L182 HydrophobicContact CG2-CD1 4.38Å
174	P	74.6	Confident	82.1	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.013	24%	0.236	C	C	.	.			trans	-50.9	129.8	176.9	-34.2	39.6	0	0	0	114.4	V145 Y150 E152 G153 N172 D176 I177	V145-P174 HydrophobicContact CG1-CG 4.49Å; Y150-P174 HydrophobicContact CD1-CG 4.5Å; Y150-P174 HydrophobicContact CG-CG 4.38Å; E152-P174 HydrophobicContact CG-CB 3.9Å; E152-P174 HydrophobicContact CG-CG 3.68Å; E152-P174 WeakPolarHBondContact OE1-CB 3.05Å; E152-P174 WeakPolarHBondContact OE1-CG 3.44Å; G153-P174 WeakPolarHBondContact O-CD 3.48Å; G153-P174 VanDerWaalsContact O-CG 3.31Å; G153-P174 WeakPolarHBondContact O-CG 3.37Å; N172-P174 WeakPolarHBondContact O-CD 3.45Å; P174-D176 VanDerWaalsContact C-N 3.35Å; P174-D176 PolarHBondContact O-N 3.14Å; P174-I177 HydrophobicContact CB-CB 4.23Å; P174-I177 HydrophobicContact CB-CD1 3.46Å; P174-I177 VanDerWaalsContact CB-CD1 3.46Å; P174-I177 HydrophobicContact CB-CG1 3.57Å; P174-I177 HydrophobicContact CG-CD1 3.49Å; P174-I177 VanDerWaalsContact CG-CD1 3.49Å; P174-I177 HydrophobicContact CG-CG1 4.19Å; P174-I177 PolarHBondContact O-N 2.9Å
175	Q	70	Confident	82	Confident	173 Å²	173	43 Å²	43	81%	0.808	24%	0.237	S	C	*	.	H	α-helix	trans	-67.7	-35	178.2	-67.8	-174.5	10.5	0	0	112.6	I173 I177 V178	I173-Q175 PolarHBondContact O-N 3.5Å; Q175-I177 PolarHBondContact O-N 3.25Å; Q175-V178 WeakPolarHBondContact O-CB 3.46Å; Q175-V178 PolarHBondContact O-N 2.9Å
176	D	65	Low	82	Confident	137 Å²	137	40.7 Å²	40.7	73%	0.733	23%	0.227	S	C	*	.	H	α-helix	trans	-60.3	-29.2	178.9	-67.6	-11	0	0	0	111.7	P174	P174-D176 VanDerWaalsContact C-N 3.35Å; P174-D176 PolarHBondContact O-N 3.14Å
177	I	61.6	Low	82	Confident	4 Å²	4	40.5 Å²	40.5	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-78	-30.2	176.7	-51.9	176.1	0	0	0	111.5	I124 Y150 P174 Q175 G179 E180 L182	I124-I177 HydrophobicContact CD1-CD1 3.63Å; I124-I177 HydrophobicContact CG1-CD1 3.93Å; Y150-I177 HydrophobicContact CD1-CD1 3.51Å; Y150-I177 HydrophobicContact CD1-CG1 3.74Å; Y150-I177 HydrophobicContact CD2-CD1 4.09Å; Y150-I177 HydrophobicContact CE1-CD1 3.38Å; Y150-I177 HydrophobicContact CE1-CG1 3.38Å; Y150-I177 HydrophobicContact CE2-CD1 3.95Å; Y150-I177 HydrophobicContact CG-CD1 3.86Å; P174-I177 HydrophobicContact CB-CB 4.23Å; P174-I177 HydrophobicContact CB-CD1 3.46Å; P174-I177 VanDerWaalsContact CB-CD1 3.46Å; P174-I177 HydrophobicContact CB-CG1 3.57Å; P174-I177 HydrophobicContact CG-CD1 3.49Å; P174-I177 VanDerWaalsContact CG-CD1 3.49Å; P174-I177 HydrophobicContact CG-CG1 4.19Å; P174-I177 PolarHBondContact O-N 2.9Å; Q175-I177 PolarHBondContact O-N 3.25Å; I177-G179 PolarHBondContact O-N 3.41Å; I177-E180 CarbonylContact O-C 3.51Å; I177-E180 WeakPolarHBondContact O-CA 3.33Å; I177-E180 PolarHBondContact O-N 2.92Å; I177-L182 HydrophobicContact CB-CD1 4.13Å; I177-L182 HydrophobicContact CG2-CD1 3.55Å; I177-L182 HydrophobicContact CG2-CD2 3.39Å; I177-L182 HydrophobicContact CG2-CG 3.52Å
178	V	59.3	Low	81.9	Confident	58 Å²	58	41.3 Å²	41.3	35%	0.352	23%	0.229	S	C	.	.	H	α-helix	trans	-61.3	-30.1	179.1	-176.4	0	0	0	0	111.2	Q175 I214	Q175-V178 WeakPolarHBondContact O-CB 3.46Å; Q175-V178 PolarHBondContact O-N 2.9Å; V178-I214 WeakPolarHBondContact CG2-O 3.47Å
179	G	57.3	Low	81.7	Confident	69 Å²	69	42.6 Å²	42.6	71%	0.711	23%	0.234	S	C	*	.	H	α-helix	trans	-67.8	-33.6	171.3	0	0	0	0	0	113.7	I177 S181	I177-G179 PolarHBondContact O-N 3.41Å; G179-S181 PolarHBondContact O-N 3.29Å; G179-S181 VanDerWaalsContact O-N 3.12Å
180	E	60	Low	81.4	Confident	116 Å²	116	42.6 Å²	42.6	54%	0.542	23%	0.234	S	C	.	.	S	Bend	trans	-85.4	66.3	179.4	-67	-159.6	165.1	0	0	112.9	I177 L182	I177-E180 CarbonylContact O-C 3.51Å; I177-E180 WeakPolarHBondContact O-CA 3.33Å; I177-E180 PolarHBondContact O-N 2.92Å; E180-L182 PolarHBondContact O-N 2.91Å
181	S	67.8	Low	81.2	Confident	52 Å²	52	46.6 Å²	46.6	36%	0.364	25%	0.252	S	S	.	.			trans	33.3	50.7	164.3	-65	0	0	0	0	115.3	G179 E183	G179-S181 PolarHBondContact O-N 3.29Å; G179-S181 VanDerWaalsContact O-N 3.12Å; S181-E183 PolarHBondContact O-N 2.88Å
182	L	80.4	Confident	81	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.016	24%	0.237	C	C	.	.			trans	-59.8	136	175.5	-81.5	176.7	0	0	0	109	F121 I173 I177 E180 I214	F121-L182 HydrophobicContact CB-CD2 4.27Å; F121-L182 HydrophobicContact CD1-CD1 4.38Å; F121-L182 HydrophobicContact CD1-CD2 4.05Å; F121-L182 HydrophobicContact CE1-CD1 4.36Å; F121-L182 HydrophobicContact CG-CD2 4.24Å; I173-L182 HydrophobicContact CG2-CD1 4.38Å; I177-L182 HydrophobicContact CB-CD1 4.13Å; I177-L182 HydrophobicContact CG2-CD1 3.55Å; I177-L182 HydrophobicContact CG2-CD2 3.39Å; I177-L182 HydrophobicContact CG2-CG 3.52Å; E180-L182 PolarHBondContact O-N 2.91Å; L182-I214 HydrophobicContact CB-CD1 4.28Å; L182-I214 HydrophobicContact CB-CG2 4.32Å; L182-I214 HydrophobicContact CD1-CG2 3.81Å
183	E	89.4	Confident	80.9	Confident	54 Å²	54	41.5 Å²	41.5	25%	0.252	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	132.2	177.4	-68.5	179.5	-165.9	0	0	109	F121 Q122 S181 W185 K211	F121-E183 CarbonylContact C-O 3.59Å; F121-E183 WeakPolarHBondContact CA-O 3.4Å; Q122-E183 HydrophobicContact CB-CB 4.1Å; Q122-E183 PolarHBondContact N-O 3.38Å; Q122-E183 PolarHBondContact OE1-OE2 3.46Å; Q122-E183 VanDerWaalsContact OE1-OE2 3.14Å; S181-E183 PolarHBondContact O-N 2.88Å; E183-W185 HydrophobicContact CB-CE3 3.99Å; E183-W185 HydrophobicContact CB-CZ3 3.62Å; E183-K211 IonicContact OE1-NZ 3.21Å
184	S	94.1	Very high	81	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.014	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	130.6	-179.6	-172.1	0	0	0	0	108.5	H119 I120 Q208 I209	H119-S184 WeakPolarHBondContact O-CA 3.47Å; H119-S184 PolarHBondContact O-OG 2.94Å; I120-S184 WeakPolarHBondContact O-CB 3.36Å; I120-S184 PolarHBondContact O-OG 3.49Å; S184-Q208 VanDerWaalsContact O-CD 3.27Å; S184-Q208 PolarHBondContact O-NE2 2.96Å; S184-Q208 VanDerWaalsContact O-NE2 3.07Å; S184-I209 PolarHBondContact O-N 3.33Å; S184-I209 WeakPolarHBondContact OG-CD1 3.44Å
185	W	96.3	Very high	81.4	Confident	10 Å²	10	53.1 Å²	53.1	4%	0.038	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	164.6	-176.8	67.8	87.1	0	0	0	113.5	H119 Q122 E183 D187 R206 I207	H119-W185 HydrophobicContact CB-CD2 3.85Å; H119-W185 HydrophobicContact CB-CE3 4.09Å; H119-W185 HydrophobicContact CB-CG 4.45Å; H119-W185 HydrophobicContact CB-CH2 3.99Å; H119-W185 HydrophobicContact CB-CZ2 3.74Å; H119-W185 HydrophobicContact CB-CZ3 4.15Å; H119-W185 AromaticContact CD2-CE2 3.49Å; H119-W185 VanDerWaalsContact CD2-CE2 3.49Å; H119-W185 AromaticContact CD2-CZ2 3.39Å; H119-W185 WeakPolarHBondContact CD2-CZ2 3.36Å; H119-W185 AromaticContact CD2-NE1 3.46Å; H119-W185 PolarHBondContact CD2-NE1 2.95Å; H119-W185 AromaticContact CG-CE2 3.61Å; H119-W185 AromaticContact CG-CH2 3.85Å; H119-W185 AromaticContact CG-CZ2 3.35Å; H119-W185 PolarHBondContact N-O 3.34Å; H119-W185 AromaticContact ND1-CZ2 3.78Å; H119-W185 AromaticContact NE2-CZ2 3.79Å; H119-W185 PolarHBondContact O-N 2.88Å; Q122-W185 HydrophobicContact CB-CH2 4.22Å; Q122-W185 HydrophobicContact CB-CZ3 4.02Å; Q122-W185 HydrophobicContact CG-CH2 4.33Å; E183-W185 HydrophobicContact CB-CE3 3.99Å; E183-W185 HydrophobicContact CB-CZ3 3.62Å; W185-D187 PolarHBondContact NE1-OD2 3.46Å; W185-D187 VanDerWaalsContact NE1-OD2 3.17Å; W185-R206 HydrophobicContact CB-CG 3.68Å; W185-R206 VanDerWaalsContact CD1-NE 3.34Å; W185-R206 HydrophobicContact CG-CG 3.7Å; W185-I207 WeakPolarHBondContact CA-O 3.31Å; W185-I207 VanDerWaalsContact CB-O 3.3Å; W185-I207 WeakPolarHBondContact CB-O 3.38Å
186	I	97.9	Very high	82.3	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	141.5	163.6	67.7	169.7	0	0	0	109.3	Y56 Y92 I118 M166 R206 I207 F222	Y56-I186 HydrophobicContact CD2-CD1 4.36Å; Y92-I186 HydrophobicContact CE2-CD1 4.22Å; Y92-I186 HydrophobicContact CE2-CG1 4.42Å; Y92-I186 PolarHBondContact OH-O 3.33Å; I118-I186 HydrophobicContact CB-CG2 4.23Å; I118-I186 HydrophobicContact CG1-CB 4.38Å; I118-I186 HydrophobicContact CG1-CG2 3.81Å; I118-I186 HydrophobicContact CG2-CG2 3.96Å; M166-I186 HydrophobicContact CE-CD1 3.69Å; I186-R206 WeakPolarHBondContact O-CA 3.14Å; I186-I207 HydrophobicContact CD1-CD1 4.16Å; I186-I207 HydrophobicContact CG1-CB 3.88Å; I186-I207 HydrophobicContact CG1-CD1 4.23Å; I186-I207 HydrophobicContact CG1-CG1 4.35Å; I186-I207 PolarHBondContact N-O 3.44Å; I186-I207 VanDerWaalsContact N-O 3.07Å; I186-I207 PolarHBondContact O-N 3.4Å; I186-F222 HydrophobicContact CD1-CB 4.15Å; I186-F222 HydrophobicContact CD1-CD1 3.57Å; I186-F222 HydrophobicContact CD1-CD2 4.15Å; I186-F222 HydrophobicContact CD1-CE1 3.9Å; I186-F222 HydrophobicContact CD1-CE2 4.44Å; I186-F222 HydrophobicContact CD1-CG 3.69Å; I186-F222 HydrophobicContact CD1-CZ 4.32Å; I186-F222 HydrophobicContact CG1-CD1 4.2Å; I186-F222 HydrophobicContact CG1-CE1 4.01Å; I186-F222 HydrophobicContact CG1-CZ 4.26Å; I186-F222 HydrophobicContact CG2-CE2 4.07Å; I186-F222 HydrophobicContact CG2-CZ 4.2Å
187	D	96.7	Very high	83.2	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	155.4	173.5	60.7	33.5	0	0	0	112.4	Y91 G116 Q117 W185 R189 P203 R206	Y91-D187 VanDerWaalsContact CE1-O 3.3Å; Y91-D187 WeakPolarHBondContact CE1-O 3.26Å; Y91-D187 VanDerWaalsContact OH-C 3.29Å; Y91-D187 PolarHBondContact OH-N 3.33Å; Y91-D187 PolarHBondContact OH-O 3.47Å; G116-D187 WeakPolarHBondContact CA-O 3.29Å; Q117-D187 WeakPolarHBondContact CB-OD1 3.31Å; Q117-D187 PolarHBondContact N-O 3.43Å; Q117-D187 PolarHBondContact O-N 2.87Å; W185-D187 PolarHBondContact NE1-OD2 3.46Å; W185-D187 VanDerWaalsContact NE1-OD2 3.17Å; D187-R189 IonicContact OD1-CZ 3.66Å; D187-R189 IonicContact OD1-NE 3.73Å; D187-R189 PolarHBondContact OD1-NE 3.27Å; D187-R189 IonicContact OD1-NH2 3.73Å; D187-R189 PolarHBondContact OD1-NH2 3.31Å; D187-R189 IonicContact OD2-CZ 3.52Å; D187-R189 IonicContact OD2-NE 2.67Å; D187-R189 IonicContact OD2-NH2 3.64Å; D187-R189 PolarHBondContact OD2-NH2 2.79Å; D187-P203 HydrophobicContact CB-CB 4.33Å; D187-R206 HydrophobicContact CB-CB 3.99Å; D187-R206 HydrophobicContact CB-CG 4.29Å; D187-R206 IonicContact OD2-CZ 3.87Å; D187-R206 IonicContact OD2-NE 2.65Å; D187-R206 PolarHBondContact OD2-NE 3.34Å; D187-R206 IonicContact OD2-NH2 3.35Å; D187-R206 PolarHBondContact OD2-NH2 3.07Å
188	Y	96.3	Very high	84.5	Confident	20 Å²	20	53.8 Å²	53.8	8%	0.078	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	151.2	164.3	-175.1	-96.8	0	0	0	109.6	Y92 Q94 I115 Y190 P203 Y204 T263	Y92-Y188 HydrophobicContact CD1-CG 4.4Å; Y92-Y188 HydrophobicContact CG-CD2 4.13Å; Y92-Y188 HydrophobicContact CG-CG 4.33Å; Q94-Y188 HydrophobicContact CB-CE2 4.22Å; Q94-Y188 HydrophobicContact CG-CE2 3.5Å; Q94-Y188 VanDerWaalsContact CG-CE2 3.5Å; I115-Y188 HydrophobicContact CB-CE2 3.84Å; I115-Y188 HydrophobicContact CG2-CE2 4.5Å; I115-Y188 CarbonylContact O-C 3.52Å; I115-Y188 WeakPolarHBondContact O-CA 3.17Å; I115-Y188 WeakPolarHBondContact O-CD2 2.98Å; I115-Y188 WeakPolarHBondContact O-CE2 2.92Å; Y188-Y190 AromaticContact CD1-CD2 3.33Å; Y188-Y190 HydrophobicContact CD1-CD2 3.33Å; Y188-Y190 AromaticContact CD1-CE2 3.19Å; Y188-Y190 HydrophobicContact CD1-CE2 3.19Å; Y188-Y190 HydrophobicContact CD1-CG 4.17Å; Y188-Y190 AromaticContact CD1-CZ 3.96Å; Y188-Y190 HydrophobicContact CE1-CD1 4.04Å; Y188-Y190 AromaticContact CE1-CD2 3.42Å; Y188-Y190 HydrophobicContact CE1-CD2 3.42Å; Y188-Y190 VanDerWaalsContact CE1-CD2 3.42Å; Y188-Y190 AromaticContact CE1-CE1 3.93Å; Y188-Y190 HydrophobicContact CE1-CE1 3.93Å; Y188-Y190 AromaticContact CE1-CE2 3.27Å; Y188-Y190 HydrophobicContact CE1-CE2 3.27Å; Y188-Y190 AromaticContact CE1-CG 3.83Å; Y188-Y190 HydrophobicContact CE1-CG 3.83Å; Y188-Y190 AromaticContact CE1-CZ 3.58Å; Y188-Y190 HydrophobicContact CG-CE2 4.45Å; Y188-P203 CarbonylContact O-C 3.59Å; Y188-P203 WeakPolarHBondContact O-CA 3.34Å; Y188-Y204 HydrophobicContact CD1-CD1 4.33Å; Y188-Y204 HydrophobicContact CG-CD1 4.49Å; Y188-Y204 PolarHBondContact N-O 3.09Å; Y188-Y204 PolarHBondContact O-N 3.46Å; Y188-T263 HydrophobicContact CD2-CG2 4.44Å; Y188-T263 HydrophobicContact CG-CG2 4.35Å
189	R	94.4	Very high	86	Confident	29 Å²	29	54.6 Å²	54.6	11%	0.109	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	120.8	-177.6	-66.2	-66.3	174.9	161.6	-1.4	110.8	L114 I115 Q117 D187 F201 E202	L114-R189 HydrophobicContact CD2-CB 4.39Å; L114-R189 HydrophobicContact CD2-CG 4.25Å; L114-R189 HydrophobicContact CG-CB 4.22Å; L114-R189 HydrophobicContact CG-CG 4.33Å; I115-R189 PolarHBondContact O-N 3.04Å; Q117-R189 HydrophobicContact CB-CG 4.41Å; D187-R189 IonicContact OD1-CZ 3.66Å; D187-R189 IonicContact OD1-NE 3.73Å; D187-R189 PolarHBondContact OD1-NE 3.27Å; D187-R189 IonicContact OD1-NH2 3.73Å; D187-R189 PolarHBondContact OD1-NH2 3.31Å; D187-R189 IonicContact OD2-CZ 3.52Å; D187-R189 IonicContact OD2-NE 2.67Å; D187-R189 IonicContact OD2-NH2 3.64Å; D187-R189 PolarHBondContact OD2-NH2 2.79Å; R189-F201 HydrophobicContact CB-CB 4.3Å; R189-F201 HydrophobicContact CB-CD1 4.4Å; R189-F201 PolarHBondContact NH1-O 2.86Å; R189-E202 WeakPolarHBondContact CA-O 3.04Å
190	Y	90	Very high	87.6	Confident	14 Å²	14	53.3 Å²	53.3	6%	0.055	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	129.5	174	-84	-91.8	0	0	0	111.8	T29 I33 Y188 C192 F201 E202 Y204 D262 T263	T29-Y190 HydrophobicContact CG2-CE1 4.46Å; I33-Y190 HydrophobicContact CD1-CD1 3.36Å; I33-Y190 HydrophobicContact CD1-CD2 3.29Å; I33-Y190 HydrophobicContact CD1-CE1 3.54Å; I33-Y190 HydrophobicContact CD1-CE2 3.47Å; I33-Y190 VanDerWaalsContact CD1-CE2 3.47Å; I33-Y190 HydrophobicContact CD1-CG 3.18Å; I33-Y190 HydrophobicContact CG1-CD2 4.31Å; I33-Y190 HydrophobicContact CG1-CE2 4.45Å; I33-Y190 HydrophobicContact CG1-CG 4.47Å; Y188-Y190 AromaticContact CD1-CD2 3.33Å; Y188-Y190 HydrophobicContact CD1-CD2 3.33Å; Y188-Y190 AromaticContact CD1-CE2 3.19Å; Y188-Y190 HydrophobicContact CD1-CE2 3.19Å; Y188-Y190 HydrophobicContact CD1-CG 4.17Å; Y188-Y190 AromaticContact CD1-CZ 3.96Å; Y188-Y190 HydrophobicContact CE1-CD1 4.04Å; Y188-Y190 AromaticContact CE1-CD2 3.42Å; Y188-Y190 HydrophobicContact CE1-CD2 3.42Å; Y188-Y190 VanDerWaalsContact CE1-CD2 3.42Å; Y188-Y190 AromaticContact CE1-CE1 3.93Å; Y188-Y190 HydrophobicContact CE1-CE1 3.93Å; Y188-Y190 AromaticContact CE1-CE2 3.27Å; Y188-Y190 HydrophobicContact CE1-CE2 3.27Å; Y188-Y190 AromaticContact CE1-CG 3.83Å; Y188-Y190 HydrophobicContact CE1-CG 3.83Å; Y188-Y190 AromaticContact CE1-CZ 3.58Å; Y188-Y190 HydrophobicContact CG-CE2 4.45Å; Y190-C192 PolarHBondContact O-N 2.96Å; Y190-C192 PolarHBondContact O-SG 3.5Å; Y190-F201 CarbonylContact O-C 3.59Å; Y190-F201 VanDerWaalsContact O-CA 3.26Å; Y190-F201 WeakPolarHBondContact O-CA 3.37Å; Y190-E202 PolarHBondContact N-O 3.32Å; Y190-E202 PolarHBondContact O-N 3.05Å; Y190-Y204 HydrophobicContact CD2-CG 4.17Å; Y190-Y204 HydrophobicContact CE2-CD1 4.04Å; Y190-Y204 HydrophobicContact CE2-CD2 4.12Å; Y190-Y204 AromaticContact CE2-CG 3.63Å; Y190-Y204 HydrophobicContact CE2-CG 3.63Å; Y190-D262 PolarHBondContact OH-O 3.07Å; Y190-T263 WeakPolarHBondContact OH-CA 3.46Å; Y190-T263 PolarHBondContact OH-N 3.37Å; Y190-T263 PolarHBondContact OH-O 2.76Å
191	K	89.8	Confident	89.1	Confident	84 Å²	84	50.7 Å²	50.7	37%	0.365	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	114.6	169.7	-169.2	172.5	-178.3	166	0	110.2	D113 T199 F201	D113-K191 HydrophobicContact CB-CD 4.41Å; D113-K191 IonicContact OD1-NZ 2.65Å; D113-K191 PolarHBondContact OD1-NZ 3.18Å; D113-K191 VanDerWaalsContact OD2-CD 3.24Å; D113-K191 WeakPolarHBondContact OD2-CD 3.3Å; D113-K191 IonicContact OD2-NZ 3.83Å; D113-K191 PolarHBondContact OD2-NZ 3.2Å; K191-T199 HydrophobicContact CD-CG2 4.22Å; K191-T199 HydrophobicContact CG-CG2 3.67Å; K191-F201 HydrophobicContact CB-CD1 4.17Å; K191-F201 HydrophobicContact CB-CE1 3.72Å; K191-F201 HydrophobicContact CB-CZ 4.39Å; K191-F201 HydrophobicContact CD-CE1 4.34Å; K191-F201 HydrophobicContact CD-CZ 4.31Å; K191-F201 HydrophobicContact CG-CE1 3.98Å; K191-F201 HydrophobicContact CG-CZ 4.15Å
192	C	88.2	Confident	90.3	Very high	4 Å²	4	51.5 Å²	51.5	3%	0.027	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	172.5	-175.8	-65.4	0	0	0	0	111	C30 Y190 T199 V200 E202	C30-C192 HydrophobicContact CB-CB 3.8Å; C30-C192 WeakPolarHBondContact CB-SG 3.2Å; C30-C192 WeakPolarHBondContact SG-CA 3.35Å; C30-C192 WeakPolarHBondContact SG-CB 3.44Å; C30-C192 CovalentContact SG-SG 2.02Å; C30-C192 PolarHBondContact SG-SG 2.98Å; Y190-C192 PolarHBondContact O-N 2.96Å; Y190-C192 PolarHBondContact O-SG 3.5Å; C192-T199 WeakPolarHBondContact O-CA 3.44Å; C192-V200 HydrophobicContact CB-CG2 3.89Å; C192-V200 PolarHBondContact N-O 3.29Å; C192-V200 PolarHBondContact O-N 3.13Å; C192-E202 HydrophobicContact CB-CG 4.04Å
193	L	86.7	Confident	90.9	Very high	32 Å²	32	53.4 Å²	53.4	17%	0.168	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	131	173.8	-61.8	170.5	0	0	0	109.6	F23 Q27 N198	F23-L193 HydrophobicContact CD2-CD1 3.59Å; F23-L193 HydrophobicContact CE2-CD1 3.37Å; F23-L193 HydrophobicContact CZ-CD1 4.31Å; Q27-L193 PolarHBondContact NE2-O 3.24Å; Q27-L193 PolarHBondContact OE1-O 3.06Å; Q27-L193 VanDerWaalsContact OE1-O 3.07Å; L193-N198 WeakPolarHBondContact CA-O 3.43Å
194	D	85.1	Confident	91.1	Very high	47 Å²	47	50.9 Å²	50.9	25%	0.251	25%	0.251	S	S	.	.			trans	-76.7	-179.3	173.7	73.7	10.6	0	0	0	111.8	Q196 N197 N198 V200	D194-Q196 PolarHBondContact O-N 3.06Å; D194-Q196 VanDerWaalsContact OD1-CA 3.27Å; D194-Q196 WeakPolarHBondContact OD1-CA 3.46Å; D194-Q196 WeakPolarHBondContact OD1-CB 3.32Å; D194-Q196 PolarHBondContact OD1-N 3.47Å; D194-N197 PolarHBondContact O-N 3.36Å; D194-N197 PolarHBondContact OD1-N 3.06Å; D194-N198 PolarHBondContact N-O 3.12Å; D194-N198 PolarHBondContact OD1-N 3.26Å; D194-N198 WeakPolarHBondContact OD2-CB 2.88Å; D194-N198 PolarHBondContact OD2-ND2 3.23Å; D194-V200 HydrophobicContact CB-CG1 3.88Å; D194-V200 HydrophobicContact CB-CG2 4.28Å
195	K	84.2	Confident	91.1	Very high	205 Å²	205	50.9 Å²	50.9	89%	0.891	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.2	179.4	-65	-179	179.9	178.6	0	113.2
196	Q	87.7	Confident	91.1	Very high	137 Å²	137	54.2 Å²	54.2	64%	0.64	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	6.7	178.5	-68.5	75.8	21.6	0	0	111.9	D194 N198	D194-Q196 PolarHBondContact O-N 3.06Å; D194-Q196 VanDerWaalsContact OD1-CA 3.27Å; D194-Q196 WeakPolarHBondContact OD1-CA 3.46Å; D194-Q196 WeakPolarHBondContact OD1-CB 3.32Å; D194-Q196 PolarHBondContact OD1-N 3.47Å; Q196-N198 VanDerWaalsContact C-N 3.27Å; Q196-N198 WeakPolarHBondContact CB-ND2 3.43Å; Q196-N198 PolarHBondContact O-N 3.43Å
197	N	83.9	Confident	91.1	Very high	98 Å²	98	54.1 Å²	54.1	52%	0.524	26%	0.262	S	S	.	.	S	Bend	trans	66.7	23.4	-178.9	-160.1	30	0	0	0	114.5	F23 D194	F23-N197 VanDerWaalsContact CE2-OD1 3.29Å; F23-N197 WeakPolarHBondContact CE2-OD1 3.05Å; D194-N197 PolarHBondContact O-N 3.36Å; D194-N197 PolarHBondContact OD1-N 3.06Å
198	N	89.2	Confident	91	Very high	93 Å²	93	56.4 Å²	56.4	50%	0.497	27%	0.273	S	S	.	.			trans	-85.3	148.7	170.3	-54	-58.3	0	0	0	110.4	L193 D194 Q196 V200	L193-N198 WeakPolarHBondContact CA-O 3.43Å; D194-N198 PolarHBondContact N-O 3.12Å; D194-N198 PolarHBondContact OD1-N 3.26Å; D194-N198 WeakPolarHBondContact OD2-CB 2.88Å; D194-N198 PolarHBondContact OD2-ND2 3.23Å; Q196-N198 VanDerWaalsContact C-N 3.27Å; Q196-N198 WeakPolarHBondContact CB-ND2 3.43Å; Q196-N198 PolarHBondContact O-N 3.43Å; N198-V200 PolarHBondContact O-N 3.47Å
199	T	90	Very high	91	Very high	76 Å²	76	55.5 Å²	55.5	47%	0.466	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	125.6	172	-62.6	0	0	0	0	110.3	K191 C192 F201	K191-T199 HydrophobicContact CD-CG2 4.22Å; K191-T199 HydrophobicContact CG-CG2 3.67Å; C192-T199 WeakPolarHBondContact O-CA 3.44Å; T199-F201 HydrophobicContact CG2-CE2 3.94Å; T199-F201 HydrophobicContact CG2-CZ 4.2Å
200	V	91.3	Very high	90.9	Very high	41 Å²	41	55 Å²	55	25%	0.248	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	153.6	173.4	-63.7	0	0	0	0	110.1	C192 D194 N198 E202	C192-V200 HydrophobicContact CB-CG2 3.89Å; C192-V200 PolarHBondContact N-O 3.29Å; C192-V200 PolarHBondContact O-N 3.13Å; D194-V200 HydrophobicContact CB-CG1 3.88Å; D194-V200 HydrophobicContact CB-CG2 4.28Å; N198-V200 PolarHBondContact O-N 3.47Å; V200-E202 HydrophobicContact CG2-CG 4.44Å
201	F	92.2	Very high	90.9	Very high	62 Å²	62	58.9 Å²	58.9	27%	0.272	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	99.7	-179.7	-71.7	-85.9	0	0	0	110.9	D113 L114 R189 Y190 K191 T199	D113-F201 HydrophobicContact CB-CE1 4.15Å; D113-F201 HydrophobicContact CB-CZ 4.32Å; L114-F201 HydrophobicContact CB-CD1 3.94Å; L114-F201 HydrophobicContact CB-CE1 3.77Å; L114-F201 HydrophobicContact CB-CE2 4.39Å; L114-F201 HydrophobicContact CB-CG 4.32Å; L114-F201 HydrophobicContact CB-CZ 4.01Å; L114-F201 HydrophobicContact CD2-CB 4.05Å; L114-F201 HydrophobicContact CD2-CD1 4.26Å; L114-F201 HydrophobicContact CD2-CD2 4.21Å; L114-F201 HydrophobicContact CD2-CG 3.92Å; L114-F201 HydrophobicContact CG-CD1 4.42Å; L114-F201 WeakPolarHBondContact O-CD1 3.35Å; L114-F201 WeakPolarHBondContact O-CE1 3.18Å; R189-F201 HydrophobicContact CB-CB 4.3Å; R189-F201 HydrophobicContact CB-CD1 4.4Å; R189-F201 PolarHBondContact NH1-O 2.86Å; Y190-F201 CarbonylContact O-C 3.59Å; Y190-F201 VanDerWaalsContact O-CA 3.26Å; Y190-F201 WeakPolarHBondContact O-CA 3.37Å; K191-F201 HydrophobicContact CB-CD1 4.17Å; K191-F201 HydrophobicContact CB-CE1 3.72Å; K191-F201 HydrophobicContact CB-CZ 4.39Å; K191-F201 HydrophobicContact CD-CE1 4.34Å; K191-F201 HydrophobicContact CD-CZ 4.31Å; K191-F201 HydrophobicContact CG-CE1 3.98Å; K191-F201 HydrophobicContact CG-CZ 4.15Å; T199-F201 HydrophobicContact CG2-CE2 3.94Å; T199-F201 HydrophobicContact CG2-CZ 4.2Å
202	E	91.8	Very high	90.9	Very high	68 Å²	68	59.4 Å²	59.4	32%	0.318	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	138.6	-176.4	-67.3	-74.5	-173.7	0	0	110.6	R189 Y190 C192 V200	R189-E202 WeakPolarHBondContact CA-O 3.04Å; Y190-E202 PolarHBondContact N-O 3.32Å; Y190-E202 PolarHBondContact O-N 3.05Å; C192-E202 HydrophobicContact CB-CG 4.04Å; V200-E202 HydrophobicContact CG2-CG 4.44Å
203	P	93.1	Very high	91.1	Very high	44 Å²	44	59.3 Å²	59.3	29%	0.286	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	142.4	176.6	31.1	-33.6	0	0	0	111	D187 Y188	D187-P203 HydrophobicContact CB-CB 4.33Å; Y188-P203 CarbonylContact O-C 3.59Å; Y188-P203 WeakPolarHBondContact O-CA 3.34Å
204	Y	93.9	Very high	91.2	Very high	1 Å²	1	57.8 Å²	57.8	0%	0.004	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	138.3	171	163	-91.1	0	0	0	109.8	I33 V36 E55 Y92 Y188 Y190 R206 R261 D262 T263	I33-Y204 HydrophobicContact CB-CD2 4.02Å; V36-Y204 HydrophobicContact CB-CD2 3.88Å; V36-Y204 HydrophobicContact CB-CE2 3.66Å; V36-Y204 HydrophobicContact CG1-CD2 4.18Å; V36-Y204 HydrophobicContact CG1-CE2 3.48Å; V36-Y204 VanDerWaalsContact CG1-CE2 3.48Å; V36-Y204 HydrophobicContact CG2-CE2 4.29Å; E55-Y204 WeakPolarHBondContact OE1-CE1 3.32Å; E55-Y204 PolarHBondContact OE1-OH 3.13Å; Y92-Y204 HydrophobicContact CD1-CE1 4.44Å; Y188-Y204 HydrophobicContact CD1-CD1 4.33Å; Y188-Y204 HydrophobicContact CG-CD1 4.49Å; Y188-Y204 PolarHBondContact N-O 3.09Å; Y188-Y204 PolarHBondContact O-N 3.46Å; Y190-Y204 HydrophobicContact CD2-CG 4.17Å; Y190-Y204 HydrophobicContact CE2-CD1 4.04Å; Y190-Y204 HydrophobicContact CE2-CD2 4.12Å; Y190-Y204 AromaticContact CE2-CG 3.63Å; Y190-Y204 HydrophobicContact CE2-CG 3.63Å; Y204-R206 VanDerWaalsContact C-N 3.32Å; Y204-R206 PolarHBondContact O-N 3.11Å; Y204-R261 WeakPolarHBondContact CE2-O 3.33Å; Y204-R261 PolarHBondContact OH-O 2.73Å; Y204-D262 WeakPolarHBondContact OH-CA 3.36Å; Y204-T263 HydrophobicContact CD1-CG2 4.46Å; Y204-T263 HydrophobicContact CE1-CG2 4.03Å
205	N	94.4	Very high	91.4	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	41.6	55.1	175.1	-161.8	26.1	0	0	0	114.1	V36 K37 H38 H53 E55 Y92 I207	V36-N205 VanDerWaalsContact O-CA 3.23Å; V36-N205 WeakPolarHBondContact O-CA 3.3Å; V36-N205 PolarHBondContact O-N 3.4Å; V36-N205 VanDerWaalsContact O-N 3.09Å; K37-N205 WeakPolarHBondContact CA-OD1 3.39Å; H38-N205 PolarHBondContact N-OD1 3.13Å; H53-N205 PolarHBondContact O-ND2 2.68Å; E55-N205 PolarHBondContact OE2-ND2 3.46Å; Y92-N205 HydrophobicContact CE1-CB 4.49Å; Y92-N205 PolarHBondContact OH-O 3.33Å; N205-I207 PolarHBondContact O-N 2.96Å
206	R	96.1	Very high	91.7	Very high	81 Å²	81	52.5 Å²	52.5	31%	0.306	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	124.8	178.3	177	179.5	-66.5	-177.1	-1.5	110.7	W185 I186 D187 Y204	W185-R206 HydrophobicContact CB-CG 3.68Å; W185-R206 VanDerWaalsContact CD1-NE 3.34Å; W185-R206 HydrophobicContact CG-CG 3.7Å; I186-R206 WeakPolarHBondContact O-CA 3.14Å; D187-R206 HydrophobicContact CB-CB 3.99Å; D187-R206 HydrophobicContact CB-CG 4.29Å; D187-R206 IonicContact OD2-CZ 3.87Å; D187-R206 IonicContact OD2-NE 2.65Å; D187-R206 PolarHBondContact OD2-NE 3.34Å; D187-R206 IonicContact OD2-NH2 3.35Å; D187-R206 PolarHBondContact OD2-NH2 3.07Å; Y204-R206 VanDerWaalsContact C-N 3.32Å; Y204-R206 PolarHBondContact O-N 3.11Å
207	I	97.3	Very high	92	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	104.5	174.9	-52	175	0	0	0	108.5	H53 Y56 Q58 W185 I186 N205 F222	H53-I207 HydrophobicContact CB-CD1 3.52Å; H53-I207 HydrophobicContact CB-CG1 3.66Å; H53-I207 HydrophobicContact CB-CG2 4.43Å; Y56-I207 HydrophobicContact CD2-CD1 4.16Å; Y56-I207 HydrophobicContact CG-CD1 4.3Å; Q58-I207 HydrophobicContact CB-CG2 4.41Å; W185-I207 WeakPolarHBondContact CA-O 3.31Å; W185-I207 VanDerWaalsContact CB-O 3.3Å; W185-I207 WeakPolarHBondContact CB-O 3.38Å; I186-I207 HydrophobicContact CD1-CD1 4.16Å; I186-I207 HydrophobicContact CG1-CB 3.88Å; I186-I207 HydrophobicContact CG1-CD1 4.23Å; I186-I207 HydrophobicContact CG1-CG1 4.35Å; I186-I207 PolarHBondContact N-O 3.44Å; I186-I207 VanDerWaalsContact N-O 3.07Å; I186-I207 PolarHBondContact O-N 3.4Å; N205-I207 PolarHBondContact O-N 2.96Å; I207-F222 HydrophobicContact CB-CE1 4.25Å; I207-F222 HydrophobicContact CG2-CD1 4.24Å; I207-F222 HydrophobicContact CG2-CE1 3.65Å
208	Q	95.8	Very high	92.6	Very high	47 Å²	47	41.8 Å²	41.8	22%	0.22	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	139.8	-179.4	-172.6	73.2	33.5	0	0	110.6	Q58 S184	Q58-Q208 PolarHBondContact NE2-O 3.08Å; S184-Q208 VanDerWaalsContact O-CD 3.27Å; S184-Q208 PolarHBondContact O-NE2 2.96Å; S184-Q208 VanDerWaalsContact O-NE2 3.07Å
209	I	95.3	Very high	93	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-81	123.3	166.8	-52.9	178.6	0	0	0	107.9	I60 L168 F170 S184 K211 I214 V220 F222	I60-I209 HydrophobicContact CD1-CG2 4.13Å; L168-I209 HydrophobicContact CD2-CD1 3.72Å; F170-I209 HydrophobicContact CZ-CD1 4.12Å; S184-I209 PolarHBondContact O-N 3.33Å; S184-I209 WeakPolarHBondContact OG-CD1 3.44Å; I209-K211 PolarHBondContact O-N 2.85Å; I209-I214 HydrophobicContact CB-CD1 4.45Å; I209-I214 HydrophobicContact CB-CG1 4.39Å; I209-I214 HydrophobicContact CG2-CD1 4.47Å; I209-I214 HydrophobicContact CG2-CG1 3.88Å; I209-V220 HydrophobicContact CD1-CB 4.26Å; I209-V220 HydrophobicContact CD1-CG1 3.93Å; I209-V220 HydrophobicContact CD1-CG2 4.01Å; I209-V220 HydrophobicContact CG1-CG1 4.2Å; I209-V220 HydrophobicContact CG2-CG2 4.01Å; I209-F222 HydrophobicContact CD1-CZ 4.34Å; I209-F222 HydrophobicContact CG1-CZ 4.17Å
210	P	93.3	Very high	93.4	Very high	20 Å²	20	34.6 Å²	34.6	13%	0.13	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-63.6	137.9	-179.4	-16.8	28.4	0	0	0	111.5	R49 I60 N212 F213	R49-P210 VanDerWaalsContact CZ-CG 3.44Å; I60-P210 HydrophobicContact CD1-CG 4.36Å; P210-N212 VanDerWaalsContact C-N 3.28Å; P210-N212 VanDerWaalsContact CB-OD1 3.31Å; P210-N212 WeakPolarHBondContact CB-OD1 3.33Å; P210-N212 PolarHBondContact O-N 2.9Å; P210-F213 HydrophobicContact CB-CD2 4.08Å; P210-F213 HydrophobicContact CG-CD2 4.28Å; P210-F213 PolarHBondContact O-N 3.38Å
211	K	89.6	Confident	93.7	Very high	94 Å²	94	34 Å²	34	41%	0.409	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-56.8	-37.8	-169.9	-63.1	-174.5	173.8	178.2	0	113.6	E183 I209 F213 I214	E183-K211 IonicContact OE1-NZ 3.21Å; I209-K211 PolarHBondContact O-N 2.85Å; K211-F213 PolarHBondContact O-N 3.5Å; K211-I214 PolarHBondContact O-N 2.95Å
212	N	89.2	Confident	94	Very high	96 Å²	96	31 Å²	31	51%	0.513	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-64.9	-17.7	179.1	59.6	-47.7	0	0	0	114.2	P210	P210-N212 VanDerWaalsContact C-N 3.28Å; P210-N212 VanDerWaalsContact CB-OD1 3.31Å; P210-N212 WeakPolarHBondContact CB-OD1 3.33Å; P210-N212 PolarHBondContact O-N 2.9Å
213	F	92.2	Very high	94.4	Very high	1 Å²	1	32.5 Å²	32.5	0%	0.004	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-96.4	-8.1	174.6	-71.9	-84.3	0	0	0	113.2	R49 I60 L62 P210 K211 K215 T218	R49-F213 HydrophobicContact CB-CE1 4.48Å; R49-F213 HydrophobicContact CB-CE2 4.07Å; R49-F213 HydrophobicContact CB-CZ 3.88Å; I60-F213 HydrophobicContact CB-CD1 4.31Å; I60-F213 HydrophobicContact CD1-CB 4.35Å; I60-F213 HydrophobicContact CD1-CD2 4.47Å; I60-F213 HydrophobicContact CD1-CG 4.35Å; I60-F213 HydrophobicContact CG2-CB 3.82Å; I60-F213 HydrophobicContact CG2-CD1 3.53Å; I60-F213 HydrophobicContact CG2-CE1 4.3Å; I60-F213 HydrophobicContact CG2-CG 3.81Å; L62-F213 HydrophobicContact CD1-CD1 4.48Å; L62-F213 HydrophobicContact CD2-CD1 3.85Å; L62-F213 HydrophobicContact CG-CD1 4.05Å; L62-F213 HydrophobicContact CG-CE1 4.33Å; P210-F213 HydrophobicContact CB-CD2 4.08Å; P210-F213 HydrophobicContact CG-CD2 4.28Å; P210-F213 PolarHBondContact O-N 3.38Å; K211-F213 PolarHBondContact O-N 3.5Å; F213-K215 PolarHBondContact O-N 2.92Å; F213-T218 WeakPolarHBondContact O-CB 3.4Å; F213-T218 VanDerWaalsContact O-CG2 3.27Å; F213-T218 WeakPolarHBondContact O-CG2 3.41Å; F213-T218 PolarHBondContact O-OG1 2.92Å
214	I	90.3	Very high	94.6	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.158	C	C	.	.			trans	-81.1	87.5	178	-60.5	176.9	0	0	0	109.2	F121 F170 V178 L182 I209 K211	F121-I214 HydrophobicContact CD1-CG2 4.31Å; F121-I214 HydrophobicContact CE1-CG2 3.38Å; F121-I214 HydrophobicContact CZ-CG2 4Å; F170-I214 HydrophobicContact CE2-CB 4.37Å; F170-I214 HydrophobicContact CE2-CG1 4.2Å; F170-I214 HydrophobicContact CE2-CG2 4.19Å; F170-I214 HydrophobicContact CZ-CG2 4.44Å; V178-I214 WeakPolarHBondContact CG2-O 3.47Å; L182-I214 HydrophobicContact CB-CD1 4.28Å; L182-I214 HydrophobicContact CB-CG2 4.32Å; L182-I214 HydrophobicContact CD1-CG2 3.81Å; I209-I214 HydrophobicContact CB-CD1 4.45Å; I209-I214 HydrophobicContact CB-CG1 4.39Å; I209-I214 HydrophobicContact CG2-CD1 4.47Å; I209-I214 HydrophobicContact CG2-CG1 3.88Å; K211-I214 PolarHBondContact O-N 2.95Å
215	K	88.6	Confident	94.7	Very high	85 Å²	85	31.6 Å²	31.6	37%	0.37	16%	0.158	S	C	.	.	S	Bend	trans	-157.5	166.8	178.5	57.6	-172.7	171.3	179.4	0	111.9	L62 F170 F213 T218	L62-K215 HydrophobicContact CD2-CD 4.49Å; L62-K215 VanDerWaalsContact CD2-CE 3.42Å; L62-K215 HydrophobicContact CD2-CG 4.2Å; F170-K215 WeakPolarHBondContact CB-O 3.26Å; F213-K215 PolarHBondContact O-N 2.92Å; K215-T218 VanDerWaalsContact O-CB 3.29Å; K215-T218 WeakPolarHBondContact O-CB 3.24Å; K215-T218 PolarHBondContact O-N 3.45Å; K215-T218 PolarHBondContact O-OG1 3.31Å
216	S	91.4	Very high	94.7	Very high	55 Å²	55	35.3 Å²	35.3	39%	0.385	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	140.7	177.3	-170.1	0	0	0	0	112.7	F170 N172 T218	F170-S216 CarbonylContact O-C 3.57Å; N172-S216 VanDerWaalsContact CA-OG 3.3Å; N172-S216 WeakPolarHBondContact CA-OG 3.3Å; N172-S216 PolarHBondContact N-OG 3.49Å; S216-T218 VanDerWaalsContact C-N 3.3Å; S216-T218 PolarHBondContact O-N 2.94Å
217	G	94	Very high	94.5	Very high	10 Å²	10	36 Å²	36	10%	0.103	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	12.1	179.1	0	0	0	0	0	114.3	L62 D63 Q64 F170	L62-G217 CarbonylContact C-O 3.58Å; D63-G217 PolarHBondContact N-O 2.9Å; Q64-G217 PolarHBondContact N-O 3.08Å; F170-G217 PolarHBondContact O-N 3.09Å
218	T	95.5	Very high	94.3	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	131.1	178.4	-52.8	0	0	0	0	110.8	I60 R61 L62 Y169 F170 F213 K215 S216 V220	I60-T218 HydrophobicContact CG2-CG2 3.65Å; R61-T218 WeakPolarHBondContact O-CA 3.45Å; L62-T218 HydrophobicContact CD2-CG2 3.91Å; L62-T218 WeakPolarHBondContact CD2-OG1 3.25Å; Y169-T218 WeakPolarHBondContact CA-O 3.31Å; F170-T218 HydrophobicContact CD2-CG2 4.2Å; F170-T218 PolarHBondContact N-O 3.12Å; F213-T218 WeakPolarHBondContact O-CB 3.4Å; F213-T218 VanDerWaalsContact O-CG2 3.27Å; F213-T218 WeakPolarHBondContact O-CG2 3.41Å; F213-T218 PolarHBondContact O-OG1 2.92Å; K215-T218 VanDerWaalsContact O-CB 3.29Å; K215-T218 WeakPolarHBondContact O-CB 3.24Å; K215-T218 PolarHBondContact O-N 3.45Å; K215-T218 PolarHBondContact O-OG1 3.31Å; S216-T218 VanDerWaalsContact C-N 3.3Å; S216-T218 PolarHBondContact O-N 2.94Å; T218-V220 HydrophobicContact CG2-CG2 3.99Å
219	L	97.9	Very high	94.4	Very high	18 Å²	18	33.8 Å²	33.8	9%	0.094	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	123.5	167.3	-177.6	64.9	0	0	0	109.7	I60 R61 Q64 P67 Y169 E221	I60-L219 WeakPolarHBondContact CA-O 3.19Å; R61-L219 PolarHBondContact N-O 3.13Å; R61-L219 PolarHBondContact O-N 3.45Å; Q64-L219 HydrophobicContact CB-CB 3.93Å; Q64-L219 HydrophobicContact CG-CB 3.83Å; P67-L219 HydrophobicContact CG-CD1 3.84Å; Y169-L219 HydrophobicContact CD2-CB 4.36Å; Y169-L219 HydrophobicContact CD2-CD1 4.41Å; L219-E221 HydrophobicContact CD2-CG 4.31Å; L219-E221 HydrophobicContact CG-CG 4.1Å
220	V	98.3	Very high	94.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.7	173.9	178	0	0	0	0	107.7	Q58 T59 I60 S167 L168 F170 I209 T218 F222	Q58-V220 HydrophobicContact CG-CG1 4.27Å; T59-V220 CarbonylContact O-C 3.57Å; T59-V220 WeakPolarHBondContact O-CA 3.48Å; I60-V220 HydrophobicContact CG1-CG1 4.29Å; I60-V220 HydrophobicContact CG1-CG2 4.15Å; I60-V220 HydrophobicContact CG2-CG2 3.95Å; S167-V220 CarbonylContact C-O 3.52Å; S167-V220 VanDerWaalsContact CA-O 3.25Å; S167-V220 WeakPolarHBondContact CA-O 3.2Å; L168-V220 HydrophobicContact CB-CB 4.37Å; L168-V220 PolarHBondContact N-O 2.72Å; L168-V220 PolarHBondContact O-N 2.81Å; F170-V220 HydrophobicContact CE2-CG2 4.36Å; I209-V220 HydrophobicContact CD1-CB 4.26Å; I209-V220 HydrophobicContact CD1-CG1 3.93Å; I209-V220 HydrophobicContact CD1-CG2 4.01Å; I209-V220 HydrophobicContact CG1-CG1 4.2Å; I209-V220 HydrophobicContact CG2-CG2 4.01Å; T218-V220 HydrophobicContact CG2-CG2 3.99Å; V220-F222 HydrophobicContact CG1-CD2 4.37Å; V220-F222 HydrophobicContact CG1-CE1 4.39Å; V220-F222 HydrophobicContact CG1-CE2 3.71Å; V220-F222 HydrophobicContact CG1-CZ 3.73Å
221	E	98.5	Very high	94.4	Very high	28 Å²	28	36.8 Å²	36.8	13%	0.131	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	132.1	178.2	-60.9	-178	111.1	0	0	109.8	Q58 T59 R61 K165 M166 L219	Q58-E221 CarbonylContact C-O 3.56Å; Q58-E221 WeakPolarHBondContact CA-O 3.44Å; T59-E221 PolarHBondContact N-O 2.67Å; T59-E221 PolarHBondContact O-N 3.08Å; R61-E221 IonicContact CZ-OE2 2.76Å; R61-E221 IonicContact NH1-OE2 3.29Å; R61-E221 PolarHBondContact NH1-OE2 2.9Å; R61-E221 IonicContact NH2-OE2 2.79Å; K165-E221 WeakPolarHBondContact CE-OE1 3.3Å; K165-E221 IonicContact NZ-OE1 2.58Å; K165-E221 PolarHBondContact NZ-OE1 2.69Å; M166-E221 CarbonylContact O-C 3.55Å; M166-E221 WeakPolarHBondContact O-CA 3.3Å; L219-E221 HydrophobicContact CD2-CG 4.31Å; L219-E221 HydrophobicContact CG-CG 4.1Å
222	F	98.6	Very high	94.7	Very high	1 Å²	1	33.9 Å²	33.9	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	121	170.3	-56.5	-83.2	0	0	0	108.5	Y56 F57 Q58 K165 M166 I186 I207 I209 V220	Y56-F222 HydrophobicContact CD1-CB 3.81Å; Y56-F222 HydrophobicContact CE1-CB 4.37Å; Y56-F222 HydrophobicContact CG-CB 4.4Å; F57-F222 CarbonylContact O-C 3.53Å; F57-F222 WeakPolarHBondContact O-CA 3.29Å; Q58-F222 HydrophobicContact CB-CD1 4.17Å; Q58-F222 HydrophobicContact CB-CE1 4.27Å; Q58-F222 HydrophobicContact CG-CD1 4.11Å; Q58-F222 HydrophobicContact CG-CE1 3.83Å; Q58-F222 VanDerWaalsContact NE2-CE1 3.34Å; K165-F222 CarbonylContact C-O 3.6Å; K165-F222 WeakPolarHBondContact CA-O 3.34Å; M166-F222 HydrophobicContact CB-CB 4.38Å; M166-F222 HydrophobicContact CB-CD2 4.41Å; M166-F222 HydrophobicContact CE-CB 3.92Å; M166-F222 HydrophobicContact CE-CG 4.45Å; M166-F222 PolarHBondContact N-O 3.47Å; M166-F222 PolarHBondContact O-N 3.45Å; I186-F222 HydrophobicContact CD1-CB 4.15Å; I186-F222 HydrophobicContact CD1-CD1 3.57Å; I186-F222 HydrophobicContact CD1-CD2 4.15Å; I186-F222 HydrophobicContact CD1-CE1 3.9Å; I186-F222 HydrophobicContact CD1-CE2 4.44Å; I186-F222 HydrophobicContact CD1-CG 3.69Å; I186-F222 HydrophobicContact CD1-CZ 4.32Å; I186-F222 HydrophobicContact CG1-CD1 4.2Å; I186-F222 HydrophobicContact CG1-CE1 4.01Å; I186-F222 HydrophobicContact CG1-CZ 4.26Å; I186-F222 HydrophobicContact CG2-CE2 4.07Å; I186-F222 HydrophobicContact CG2-CZ 4.2Å; I207-F222 HydrophobicContact CB-CE1 4.25Å; I207-F222 HydrophobicContact CG2-CD1 4.24Å; I207-F222 HydrophobicContact CG2-CE1 3.65Å; I209-F222 HydrophobicContact CD1-CZ 4.34Å; I209-F222 HydrophobicContact CG1-CZ 4.17Å; V220-F222 HydrophobicContact CG1-CD2 4.37Å; V220-F222 HydrophobicContact CG1-CE1 4.39Å; V220-F222 HydrophobicContact CG1-CE2 3.71Å; V220-F222 HydrophobicContact CG1-CZ 3.73Å
223	E	98.3	Very high	94.9	Very high	99 Å²	99	35.4 Å²	35.4	46%	0.463	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.3	179.4	-174.9	168.5	178.2	0	0	110	Y56 F57 N225	Y56-E223 CarbonylContact C-O 3.58Å; Y56-E223 VanDerWaalsContact CA-O 3.26Å; Y56-E223 WeakPolarHBondContact CA-O 3.33Å; Y56-E223 VanDerWaalsContact CD1-C 3.44Å; F57-E223 PolarHBondContact N-O 2.73Å; F57-E223 PolarHBondContact O-N 3.24Å; E223-N225 PolarHBondContact O-N 2.86Å
224	P	97.9	Very high	95.1	Very high	26 Å²	26	36.9 Å²	36.9	17%	0.169	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	130	179.1	-27.5	35.4	0	0	0	112	Y56 T226	Y56-P224 HydrophobicContact CD1-CG 4.33Å; Y56-P224 HydrophobicContact CE1-CB 4.35Å; Y56-P224 HydrophobicContact CE1-CG 3.75Å; P224-T226 PolarHBondContact O-N 2.95Å
225	N	96.3	Very high	95.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.21	C	C	.	.			trans	-80.8	98.9	179.4	-174.4	-15.1	0	0	0	110.1	D52 Y54 E55 F57 E223 E227 S228 M231	D52-N225 PolarHBondContact OD1-ND2 3.42Å; D52-N225 PolarHBondContact OD2-ND2 3.46Å; Y54-N225 VanDerWaalsContact O-CB 3.25Å; Y54-N225 WeakPolarHBondContact O-CB 3.46Å; Y54-N225 PolarHBondContact O-ND2 3.15Å; E55-N225 PolarHBondContact O-N 2.83Å; F57-N225 HydrophobicContact CD2-CB 4.04Å; F57-N225 HydrophobicContact CE2-CB 3.81Å; F57-N225 WeakPolarHBondContact CE2-OD1 3.32Å; F57-N225 HydrophobicContact CZ-CB 4.29Å; F57-N225 VanDerWaalsContact CZ-CG 3.44Å; F57-N225 WeakPolarHBondContact CZ-ND2 3.24Å; F57-N225 WeakPolarHBondContact CZ-OD1 3.35Å; E223-N225 PolarHBondContact O-N 2.86Å; N225-E227 PolarHBondContact O-N 2.86Å; N225-E227 WeakPolarHBondContact OD1-CA 3.25Å; N225-E227 WeakPolarHBondContact OD1-CB 3.45Å; N225-E227 PolarHBondContact OD1-N 2.85Å; N225-S228 VanDerWaalsContact CG-OG 3.28Å; N225-S228 PolarHBondContact ND2-OG 3.21Å; N225-M231 WeakPolarHBondContact O-CG 3.49Å
226	T	93.4	Very high	95.8	Very high	78 Å²	78	41 Å²	41	48%	0.479	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-8.9	179.1	58.3	0	0	0	0	113.9	P224 M231 K232	P224-T226 PolarHBondContact O-N 2.95Å; T226-M231 HydrophobicContact CG2-CE 4.49Å; T226-K232 WeakPolarHBondContact O-CE 3.33Å; T226-K232 PolarHBondContact O-NZ 2.85Å
227	E	92.5	Very high	96	Very high	96 Å²	96	41 Å²	41	45%	0.449	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-4.9	-177.5	-58.2	-43.7	125.9	0	0	114.7	N225 K232	N225-E227 PolarHBondContact O-N 2.86Å; N225-E227 WeakPolarHBondContact OD1-CA 3.25Å; N225-E227 WeakPolarHBondContact OD1-CB 3.45Å; N225-E227 PolarHBondContact OD1-N 2.85Å; E227-K232 IonicContact OE1-NZ 3.53Å; E227-K232 IonicContact OE2-NZ 3.2Å; E227-K232 PolarHBondContact OE2-NZ 2.81Å
228	S	94.4	Very high	96.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-83.5	157.1	180	-66.7	0	0	0	0	113.1	Y54 N225 F230 M231	Y54-S228 VanDerWaalsContact O-CB 3.25Å; Y54-S228 WeakPolarHBondContact O-CB 3.47Å; Y54-S228 PolarHBondContact O-OG 3.3Å; N225-S228 VanDerWaalsContact CG-OG 3.28Å; N225-S228 PolarHBondContact ND2-OG 3.21Å; S228-F230 VanDerWaalsContact C-N 3.33Å; S228-F230 PolarHBondContact O-N 3.31Å; S228-M231 PolarHBondContact O-N 2.82Å; S228-M231 VanDerWaalsContact O-N 3.09Å
229	C	96.3	Very high	96.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-53.3	-48.3	-172.4	-47.2	0	0	0	0	112.3	Y54 M231 K232 C248 C257	Y54-C229 WeakPolarHBondContact OH-CB 3.25Å; C229-M231 PolarHBondContact O-N 2.79Å; C229-K232 PolarHBondContact O-N 2.9Å; C229-C248 VanDerWaalsContact CA-SG 3.52Å; C229-C248 HydrophobicContact CB-CB 3.71Å; C229-C248 WeakPolarHBondContact CB-SG 3.39Å; C229-C248 WeakPolarHBondContact SG-CA 3.27Å; C229-C248 WeakPolarHBondContact SG-CB 3.45Å; C229-C248 CovalentContact SG-SG 2.03Å; C229-C248 PolarHBondContact SG-SG 3.11Å; C229-C257 WeakPolarHBondContact O-CB 3.35Å; C229-C257 PolarHBondContact O-SG 2.91Å
230	F	94.3	Very high	96	Very high	20 Å²	20	48.5 Å²	48.5	9%	0.088	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-61.6	-14.7	-176	79.4	-79.8	0	0	0	114.8	Y54 E55 S228 C257 D262 L264	Y54-F230 HydrophobicContact CD1-CD1 4.22Å; Y54-F230 HydrophobicContact CD1-CE1 4.29Å; Y54-F230 AromaticContact CE1-CD1 3.55Å; Y54-F230 HydrophobicContact CE1-CD1 3.55Å; Y54-F230 HydrophobicContact CE1-CE1 4.07Å; Y54-F230 HydrophobicContact CE1-CG 4.49Å; E55-F230 HydrophobicContact CB-CE1 4.15Å; E55-F230 HydrophobicContact CB-CZ 3.94Å; E55-F230 HydrophobicContact CG-CD1 4.35Å; E55-F230 HydrophobicContact CG-CE1 3.69Å; E55-F230 HydrophobicContact CG-CE2 4.26Å; E55-F230 HydrophobicContact CG-CZ 3.64Å; S228-F230 VanDerWaalsContact C-N 3.33Å; S228-F230 PolarHBondContact O-N 3.31Å; F230-C257 WeakPolarHBondContact CA-O 3.48Å; F230-D262 HydrophobicContact CB-CB 4.4Å; F230-L264 HydrophobicContact CB-CD1 3.95Å; F230-L264 HydrophobicContact CB-CG 4.17Å
231	M	94.5	Very high	95.9	Very high	64 Å²	64	49 Å²	49	32%	0.315	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-92	-11.6	177.5	-68.1	-64.2	-72.6	0	0	113.3	N225 T226 S228 C229	N225-M231 WeakPolarHBondContact O-CG 3.49Å; T226-M231 HydrophobicContact CG2-CE 4.49Å; S228-M231 PolarHBondContact O-N 2.82Å; S228-M231 VanDerWaalsContact O-N 3.09Å; C229-M231 PolarHBondContact O-N 2.79Å
232	K	95.8	Very high	95.7	Very high	34 Å²	34	49.9 Å²	49.9	15%	0.148	28%	0.278	C	S	.	.			trans	-85.1	135.9	-176.4	-52.5	-53.3	-173.3	-174.5	0	111	T226 E227 C229 T237 C238 A241 C257	T226-K232 WeakPolarHBondContact O-CE 3.33Å; T226-K232 PolarHBondContact O-NZ 2.85Å; E227-K232 IonicContact OE1-NZ 3.53Å; E227-K232 IonicContact OE2-NZ 3.2Å; E227-K232 PolarHBondContact OE2-NZ 2.81Å; C229-K232 PolarHBondContact O-N 2.9Å; K232-T237 WeakPolarHBondContact CG-O 3.43Å; K232-C238 HydrophobicContact CB-CB 4.3Å; K232-A241 HydrophobicContact CD-CB 4.23Å; K232-A241 HydrophobicContact CG-CB 3.79Å; K232-C257 HydrophobicContact CB-CB 3.98Å; K232-C257 WeakPolarHBondContact O-CB 3.36Å
233	V	94.9	Very high	95.2	Very high	128 Å²	128	53.8 Å²	53.8	78%	0.776	30%	0.295	S	S	*	.			trans	-113.4	2.4	-169.7	-61.4	0	0	0	0	114	W250	V233-W250 WeakPolarHBondContact O-CH2 3.48Å
234	S	96	Very high	94.5	Very high	32 Å²	32	57.3 Å²	57.3	22%	0.224	32%	0.316	C	S	.	.	S	Bend	trans	-135.5	159.2	173	90.2	0	0	0	0	111.1	E236 T237 C238 W250	S234-E236 VanDerWaalsContact C-N 3.33Å; S234-E236 WeakPolarHBondContact CB-OE2 3.25Å; S234-E236 PolarHBondContact O-N 3.07Å; S234-E236 PolarHBondContact OG-N 3.19Å; S234-E236 PolarHBondContact OG-OE2 2.77Å; S234-T237 PolarHBondContact N-OG1 3.48Å; S234-T237 PolarHBondContact O-N 2.84Å; S234-T237 PolarHBondContact O-OG1 2.76Å; S234-T237 VanDerWaalsContact O-OG1 3.09Å; S234-T237 PolarHBondContact OG-N 2.89Å; S234-T237 PolarHBondContact OG-OG1 2.65Å; S234-C238 WeakPolarHBondContact O-CB 3.21Å; S234-C238 PolarHBondContact O-N 3.46Å; S234-W250 WeakPolarHBondContact O-CZ3 3.09Å
235	N	96.3	Very high	93.9	Very high	40 Å²	40	62.5 Å²	62.5	21%	0.214	34%	0.342	C	S	.	.	H	α-helix	trans	-59.2	-43.5	177.1	177	45.8	0	0	0	111.9	C238 L239 W250	N235-C238 WeakPolarHBondContact O-CB 3.42Å; N235-C238 PolarHBondContact O-N 3.29Å; N235-L239 WeakPolarHBondContact O-CG 3.37Å; N235-L239 PolarHBondContact O-N 3.26Å; N235-W250 HydrophobicContact CB-CB 4.28Å; N235-W250 HydrophobicContact CB-CD2 3.87Å; N235-W250 HydrophobicContact CB-CG 3.7Å; N235-W250 WeakPolarHBondContact OD1-CB 3.47Å
236	E	96.2	Very high	93.4	Very high	131 Å²	131	63.7 Å²	63.7	61%	0.612	35%	0.348	S	S	*	.	H	α-helix	trans	-65.6	-49.5	-178.1	-54.2	71.4	-151.3	0	0	110.8	S234 C238 L239 S240	S234-E236 VanDerWaalsContact C-N 3.33Å; S234-E236 WeakPolarHBondContact CB-OE2 3.25Å; S234-E236 PolarHBondContact O-N 3.07Å; S234-E236 PolarHBondContact OG-N 3.19Å; S234-E236 PolarHBondContact OG-OE2 2.77Å; E236-C238 PolarHBondContact O-N 3.35Å; E236-L239 PolarHBondContact O-N 3.21Å; E236-S240 PolarHBondContact O-N 3.46Å; E236-S240 PolarHBondContact O-OG 2.02Å
237	T	96.6	Very high	93.4	Very high	56 Å²	56	66 Å²	66	34%	0.344	35%	0.353	S	S	.	.	H	α-helix	trans	-65.8	-29.4	179.2	55.9	0	0	0	0	112.4	K232 S234 S240 A241	K232-T237 WeakPolarHBondContact CG-O 3.43Å; S234-T237 PolarHBondContact N-OG1 3.48Å; S234-T237 PolarHBondContact O-N 2.84Å; S234-T237 PolarHBondContact O-OG1 2.76Å; S234-T237 VanDerWaalsContact O-OG1 3.09Å; S234-T237 PolarHBondContact OG-N 2.89Å; S234-T237 PolarHBondContact OG-OG1 2.65Å; T237-S240 WeakPolarHBondContact CA-OG 3.46Å; T237-S240 PolarHBondContact O-OG 2.84Å; T237-A241 WeakPolarHBondContact O-CB 3.25Å; T237-A241 PolarHBondContact O-N 2.9Å
238	C	97.2	Very high	93.6	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-65.1	-55	173.7	-178.2	0	0	0	0	111.9	K232 S234 N235 E236 S240 A241 C248 H249 W250 C257	K232-C238 HydrophobicContact CB-CB 4.3Å; S234-C238 WeakPolarHBondContact O-CB 3.21Å; S234-C238 PolarHBondContact O-N 3.46Å; N235-C238 WeakPolarHBondContact O-CB 3.42Å; N235-C238 PolarHBondContact O-N 3.29Å; E236-C238 PolarHBondContact O-N 3.35Å; C238-S240 VanDerWaalsContact C-N 3.29Å; C238-S240 PolarHBondContact O-N 2.85Å; C238-A241 WeakPolarHBondContact O-CB 3.37Å; C238-A241 PolarHBondContact O-N 3.22Å; C238-C248 WeakPolarHBondContact O-CB 3.32Å; C238-H249 PolarHBondContact SG-O 2.65Å; C238-W250 HydrophobicContact CB-CB 4.44Å; C238-W250 HydrophobicContact CB-CE3 3.77Å; C238-W250 HydrophobicContact CB-CZ3 4.48Å; C238-C257 WeakPolarHBondContact CA-SG 3.29Å; C238-C257 HydrophobicContact CB-CB 3.5Å; C238-C257 VanDerWaalsContact CB-CB 3.5Å; C238-C257 WeakPolarHBondContact CB-SG 3.47Å; C238-C257 VanDerWaalsContact SG-CA 3.58Å; C238-C257 WeakPolarHBondContact SG-CB 3.03Å; C238-C257 CovalentContact SG-SG 2.02Å; C238-C257 PolarHBondContact SG-SG 3.03Å
239	L	95.5	Very high	93.6	Very high	88 Å²	88	64 Å²	64	46%	0.461	34%	0.344	S	S	.	.	H	α-helix	trans	-66	-33.9	-177.2	-63.1	175.6	0	0	0	111.8	N235 E236 A241 S242	N235-L239 WeakPolarHBondContact O-CG 3.37Å; N235-L239 PolarHBondContact O-N 3.26Å; E236-L239 PolarHBondContact O-N 3.21Å; L239-A241 PolarHBondContact O-N 2.9Å; L239-S242 WeakPolarHBondContact O-CB 3.24Å; L239-S242 PolarHBondContact O-N 3.15Å; L239-S242 PolarHBondContact O-OG 3.3Å
240	S	95	Very high	93.7	Very high	97 Å²	97	64.9 Å²	64.9	68%	0.678	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-17.5	174.9	66.1	0	0	0	0	114.1	E236 T237 C238 S242	E236-S240 PolarHBondContact O-N 3.46Å; E236-S240 PolarHBondContact O-OG 2.02Å; T237-S240 WeakPolarHBondContact CA-OG 3.46Å; T237-S240 PolarHBondContact O-OG 2.84Å; C238-S240 VanDerWaalsContact C-N 3.29Å; C238-S240 PolarHBondContact O-N 2.85Å; S240-S242 VanDerWaalsContact C-N 3.32Å
241	A	94.9	Very high	93.8	Very high	10 Å²	10	64 Å²	64	8%	0.083	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-9.7	179.8	0	0	0	0	0	113.3	K232 T237 C238 L239 K243 M246	K232-A241 HydrophobicContact CD-CB 4.23Å; K232-A241 HydrophobicContact CG-CB 3.79Å; T237-A241 WeakPolarHBondContact O-CB 3.25Å; T237-A241 PolarHBondContact O-N 2.9Å; C238-A241 WeakPolarHBondContact O-CB 3.37Å; C238-A241 PolarHBondContact O-N 3.22Å; L239-A241 PolarHBondContact O-N 2.9Å; A241-K243 PolarHBondContact O-N 2.99Å; A241-M246 WeakPolarHBondContact O-CE 3.49Å
242	S	94.2	Very high	93.8	Very high	47 Å²	47	66.8 Å²	66.8	33%	0.329	36%	0.359	S	S	.	.			trans	-57.3	133.1	175.4	-66.3	0	0	0	0	110.8	L239 S240 M246 C248	L239-S242 WeakPolarHBondContact O-CB 3.24Å; L239-S242 PolarHBondContact O-N 3.15Å; L239-S242 PolarHBondContact O-OG 3.3Å; S240-S242 VanDerWaalsContact C-N 3.32Å; S242-M246 CarbonylContact C-O 3.57Å; S242-M246 WeakPolarHBondContact CA-O 3.44Å; S242-C248 WeakPolarHBondContact OG-CB 3.43Å; S242-C248 PolarHBondContact OG-N 2.83Å; S242-C248 PolarHBondContact OG-O 2.86Å
243	K	89.4	Confident	93.6	Very high	84 Å²	84	68.9 Å²	68.9	37%	0.365	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-117.2	164	175.4	-57.4	169.9	-173.2	168.9	0	108.5	D52 A241 D245 M246	D52-K243 IonicContact OD2-NZ 3.75Å; A241-K243 PolarHBondContact O-N 2.99Å; K243-D245 PolarHBondContact O-N 2.79Å; K243-D245 VanDerWaalsContact O-N 3.07Å; K243-M246 HydrophobicContact CB-CB 4.3Å; K243-M246 HydrophobicContact CD-CE 3.74Å; K243-M246 HydrophobicContact CD-SD 4.44Å; K243-M246 HydrophobicContact CG-CE 4Å; K243-M246 PolarHBondContact N-O 2.78Å; K243-M246 CarbonylContact O-C 3.56Å; K243-M246 VanDerWaalsContact O-C 3.32Å; K243-M246 PolarHBondContact O-N 2.9Å; K243-M246 VanDerWaalsContact O-O 3.11Å
244	L	84.2	Confident	93.6	Very high	173 Å²	173	64.1 Å²	64.1	91%	0.906	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-37.5	-178.8	-172.1	68.9	0	0	0	113.4
245	D	83.9	Confident	93.6	Very high	134 Å²	134	68.3 Å²	68.3	72%	0.717	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	7.8	-177.5	-50.5	-47.8	0	0	0	113.2	K243	K243-D245 PolarHBondContact O-N 2.79Å; K243-D245 VanDerWaalsContact O-N 3.07Å
246	M	87.1	Confident	93.5	Very high	25 Å²	25	67.5 Å²	67.5	12%	0.123	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-155.6	93	-170.6	-178.5	-168.4	88.4	0	0	110.4	Y54 A241 S242 K243	Y54-M246 HydrophobicContact CD2-CG 4.11Å; Y54-M246 HydrophobicContact CD2-SD 3.28Å; Y54-M246 WeakPolarHBondContact CD2-SD 3.48Å; Y54-M246 HydrophobicContact CE2-CE 4.42Å; Y54-M246 HydrophobicContact CE2-CG 3.73Å; Y54-M246 HydrophobicContact CE2-SD 3.19Å; Y54-M246 WeakPolarHBondContact CE2-SD 3.49Å; A241-M246 WeakPolarHBondContact O-CE 3.49Å; S242-M246 CarbonylContact C-O 3.57Å; S242-M246 WeakPolarHBondContact CA-O 3.44Å; K243-M246 HydrophobicContact CB-CB 4.3Å; K243-M246 HydrophobicContact CD-CE 3.74Å; K243-M246 HydrophobicContact CD-SD 4.44Å; K243-M246 HydrophobicContact CG-CE 4Å; K243-M246 PolarHBondContact N-O 2.78Å; K243-M246 CarbonylContact O-C 3.56Å; K243-M246 VanDerWaalsContact O-C 3.32Å; K243-M246 PolarHBondContact O-N 2.9Å; K243-M246 VanDerWaalsContact O-O 3.11Å
247	E	92.3	Very high	93.6	Very high	126 Å²	126	61.3 Å²	61.3	59%	0.589	34%	0.336	S	S	*	.			trans	-81.6	125.5	176	-164.4	175.9	176	0	0	110.8	H249 N259	E247-H249 IonicContact OE1-CE1 3.93Å; E247-H249 PolarHBondContact OE1-CE1 2.86Å; E247-H249 IonicContact OE1-ND1 3.38Å; E247-H249 IonicContact OE2-CE1 2.94Å; E247-H249 IonicContact OE2-NE2 3.88Å; E247-N259 WeakPolarHBondContact O-CA 3.4Å; E247-N259 WeakPolarHBondContact O-CB 3.48Å
248	C	96	Very high	93.5	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.007	32%	0.319	C	S	.	.			trans	-95.8	136.9	174.1	-60.5	0	0	0	0	110	C229 C238 S242	C229-C248 VanDerWaalsContact CA-SG 3.52Å; C229-C248 HydrophobicContact CB-CB 3.71Å; C229-C248 WeakPolarHBondContact CB-SG 3.39Å; C229-C248 WeakPolarHBondContact SG-CA 3.27Å; C229-C248 WeakPolarHBondContact SG-CB 3.45Å; C229-C248 CovalentContact SG-SG 2.03Å; C229-C248 PolarHBondContact SG-SG 3.11Å; C238-C248 WeakPolarHBondContact O-CB 3.32Å; S242-C248 WeakPolarHBondContact OG-CB 3.43Å; S242-C248 PolarHBondContact OG-N 2.83Å; S242-C248 PolarHBondContact OG-O 2.86Å
249	H	96.3	Very high	93.3	Very high	55 Å²	55	60 Å²	60	26%	0.255	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	139.7	177.7	-58	-79.1	0	0	0	111.2	C238 E247 S258 W268 N277	C238-H249 PolarHBondContact SG-O 2.65Å; E247-H249 IonicContact OE1-CE1 3.93Å; E247-H249 PolarHBondContact OE1-CE1 2.86Å; E247-H249 IonicContact OE1-ND1 3.38Å; E247-H249 IonicContact OE2-CE1 2.94Å; E247-H249 IonicContact OE2-NE2 3.88Å; H249-S258 PolarHBondContact N-O 2.86Å; H249-S258 PolarHBondContact O-N 2.67Å; H249-W268 HydrophobicContact CB-CH2 3.46Å; H249-W268 VanDerWaalsContact CB-CH2 3.46Å; H249-W268 HydrophobicContact CB-CZ2 4.21Å; H249-W268 HydrophobicContact CB-CZ3 4.28Å; H249-W268 WeakPolarHBondContact O-CZ3 3.5Å; H249-N277 WeakPolarHBondContact CB-ND2 3.46Å
250	W	96.9	Very high	93.1	Very high	18 Å²	18	56.2 Å²	56.2	7%	0.068	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	124.8	176.3	-175.7	-104.6	0	0	0	111.2	V233 S234 N235 C238 N255 C257 N277	V233-W250 WeakPolarHBondContact O-CH2 3.48Å; S234-W250 WeakPolarHBondContact O-CZ3 3.09Å; N235-W250 HydrophobicContact CB-CB 4.28Å; N235-W250 HydrophobicContact CB-CD2 3.87Å; N235-W250 HydrophobicContact CB-CG 3.7Å; N235-W250 WeakPolarHBondContact OD1-CB 3.47Å; C238-W250 HydrophobicContact CB-CB 4.44Å; C238-W250 HydrophobicContact CB-CE3 3.77Å; C238-W250 HydrophobicContact CB-CZ3 4.48Å; W250-N255 VanDerWaalsContact CZ2-OD1 3.3Å; W250-N255 WeakPolarHBondContact CZ2-OD1 3.27Å; W250-C257 HydrophobicContact CE3-CB 3.85Å; W250-C257 HydrophobicContact CZ3-CB 4.03Å; W250-N277 PolarHBondContact O-OD1 3.17Å
251	C	96.5	Very high	92.9	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.007	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	104.9	173.3	-175.2	0	0	0	0	111.4	T253 A254 N255 L256 W268 C273	C251-T253 VanDerWaalsContact C-N 3.35Å; C251-T253 PolarHBondContact O-N 3.11Å; C251-T253 PolarHBondContact SG-OG1 2.84Å; C251-A254 HydrophobicContact CB-CB 4.15Å; C251-A254 PolarHBondContact O-N 3.19Å; C251-N255 WeakPolarHBondContact O-CA 2.97Å; C251-N255 PolarHBondContact O-N 2.92Å; C251-L256 HydrophobicContact CB-CD1 4.33Å; C251-L256 HydrophobicContact CB-CG 4.44Å; C251-L256 PolarHBondContact N-O 3Å; C251-L256 PolarHBondContact O-N 3.24Å; C251-W268 HydrophobicContact CB-CE3 3.99Å; C251-W268 HydrophobicContact CB-CH2 4.36Å; C251-W268 HydrophobicContact CB-CZ3 3.68Å; C251-C273 HydrophobicContact CB-CB 3.57Å; C251-C273 WeakPolarHBondContact CB-SG 3.37Å; C251-C273 WeakPolarHBondContact SG-CB 3.24Å; C251-C273 CovalentContact SG-SG 2Å; C251-C273 PolarHBondContact SG-SG 3.02Å
252	L	93.9	Very high	92.8	Very high	123 Å²	123	57.3 Å²	57.3	64%	0.644	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-40.1	179.6	-71.5	169.4	0	0	0	113.4	A254	L252-A254 VanDerWaalsContact C-N 3.33Å; L252-A254 PolarHBondContact O-N 3.03Å
253	T	93.5	Very high	92.8	Very high	78 Å²	78	55.4 Å²	55.4	48%	0.479	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-31.7	-177.8	40.3	0	0	0	0	112.8	C251 N271 N276	C251-T253 VanDerWaalsContact C-N 3.35Å; C251-T253 PolarHBondContact O-N 3.11Å; C251-T253 PolarHBondContact SG-OG1 2.84Å; T253-N271 PolarHBondContact OG1-O 3.29Å; T253-N276 WeakPolarHBondContact CG2-ND2 3.21Å
254	A	94	Very high	92.9	Very high	28 Å²	28	53.1 Å²	53.1	23%	0.231	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-11.8	-180	0	0	0	0	0	113.9	C251 L252 L256 N271	C251-A254 HydrophobicContact CB-CB 4.15Å; C251-A254 PolarHBondContact O-N 3.19Å; L252-A254 VanDerWaalsContact C-N 3.33Å; L252-A254 PolarHBondContact O-N 3.03Å; A254-L256 HydrophobicContact CB-CD2 3.62Å; A254-L256 HydrophobicContact CB-CG 3.75Å; A254-L256 PolarHBondContact O-N 2.95Å; A254-N271 HydrophobicContact CB-CB 3.76Å
255	N	95.3	Very high	93.3	Very high	119 Å²	119	44.9 Å²	44.9	64%	0.636	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	48.1	-173.8	-163.6	64.1	0	0	0	113.2	W250 C251	W250-N255 VanDerWaalsContact CZ2-OD1 3.3Å; W250-N255 WeakPolarHBondContact CZ2-OD1 3.27Å; C251-N255 WeakPolarHBondContact O-CA 2.97Å; C251-N255 PolarHBondContact O-N 2.92Å
256	L	95.7	Very high	93.5	Very high	23 Å²	23	43.8 Å²	43.8	12%	0.12	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	156.4	179.9	66.5	83	0	0	0	111.9	C251 A254 L264 A267 W268	C251-L256 HydrophobicContact CB-CD1 4.33Å; C251-L256 HydrophobicContact CB-CG 4.44Å; C251-L256 PolarHBondContact N-O 3Å; C251-L256 PolarHBondContact O-N 3.24Å; A254-L256 HydrophobicContact CB-CD2 3.62Å; A254-L256 HydrophobicContact CB-CG 3.75Å; A254-L256 PolarHBondContact O-N 2.95Å; L256-L264 HydrophobicContact CB-CD1 4.28Å; L256-L264 HydrophobicContact CD1-CB 4.28Å; L256-L264 HydrophobicContact CD1-CD1 4.21Å; L256-L264 HydrophobicContact CD2-CB 4.48Å; L256-A267 HydrophobicContact CD2-CB 3.66Å; L256-W268 HydrophobicContact CD1-CE3 3.88Å; L256-W268 HydrophobicContact CD1-CZ3 4.37Å
257	C	97.1	Very high	93.7	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.007	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	139.3	171.8	-175	0	0	0	0	110.4	C229 F230 K232 C238 W250 L264	C229-C257 WeakPolarHBondContact O-CB 3.35Å; C229-C257 PolarHBondContact O-SG 2.91Å; F230-C257 WeakPolarHBondContact CA-O 3.48Å; K232-C257 HydrophobicContact CB-CB 3.98Å; K232-C257 WeakPolarHBondContact O-CB 3.36Å; C238-C257 WeakPolarHBondContact CA-SG 3.29Å; C238-C257 HydrophobicContact CB-CB 3.5Å; C238-C257 VanDerWaalsContact CB-CB 3.5Å; C238-C257 WeakPolarHBondContact CB-SG 3.47Å; C238-C257 VanDerWaalsContact SG-CA 3.58Å; C238-C257 WeakPolarHBondContact SG-CB 3.03Å; C238-C257 CovalentContact SG-SG 2.02Å; C238-C257 PolarHBondContact SG-SG 3.03Å; W250-C257 HydrophobicContact CE3-CB 3.85Å; W250-C257 HydrophobicContact CZ3-CB 4.03Å; C257-L264 WeakPolarHBondContact O-CD1 3.41Å
258	S	95.7	Very high	93.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	157	179.3	177.5	0	0	0	0	110.9	H249 G260 D262	H249-S258 PolarHBondContact N-O 2.86Å; H249-S258 PolarHBondContact O-N 2.67Å; S258-G260 PolarHBondContact OG-N 3.29Å; S258-D262 WeakPolarHBondContact CA-OD2 3.45Å; S258-D262 WeakPolarHBondContact CB-OD2 3.38Å; S258-D262 PolarHBondContact OG-OD1 2.88Å; S258-D262 PolarHBondContact OG-OD2 3.21Å
259	N	93	Very high	93.2	Very high	30 Å²	30	39.5 Å²	39.5	16%	0.16	20%	0.204	C	C	.	.			trans	-87.1	6.8	164.5	72.4	-5.6	0	0	0	112.5	Y54 E247 R261 D262	Y54-N259 HydrophobicContact CE2-CB 4.34Å; Y54-N259 WeakPolarHBondContact CE2-ND2 3.42Å; Y54-N259 VanDerWaalsContact OH-CG 3.24Å; Y54-N259 PolarHBondContact OH-ND2 3.21Å; Y54-N259 PolarHBondContact OH-OD1 3.36Å; E247-N259 WeakPolarHBondContact O-CA 3.4Å; E247-N259 WeakPolarHBondContact O-CB 3.48Å; N259-R261 PolarHBondContact O-N 2.9Å; N259-R261 VanDerWaalsContact OD1-C 3.27Å; N259-R261 WeakPolarHBondContact OD1-CA 3.38Å; N259-R261 PolarHBondContact OD1-N 2.94Å; N259-D262 PolarHBondContact N-OD2 3.39Å; N259-D262 VanDerWaalsContact N-OD2 3.08Å; N259-D262 WeakPolarHBondContact OD1-CB 3.34Å; N259-D262 PolarHBondContact OD1-N 3.4Å; N259-D262 PolarHBondContact OD1-OD2 2.93Å
260	G	90.3	Very high	92.8	Very high	7 Å²	7	41 Å²	41	7%	0.072	21%	0.213	C	C	.	.	S	Bend	trans	79.6	-13.9	-176.5	0	0	0	0	0	115.1	H32 S258 S265	H32-G260 PolarHBondContact CE1-O 2.77Å; H32-G260 PolarHBondContact ND1-O 3.4Å; S258-G260 PolarHBondContact OG-N 3.29Å; G260-S265 PolarHBondContact O-OG 2.65Å
261	R	90.5	Very high	92.5	Very high	130 Å²	130	42.8 Å²	42.8	49%	0.491	23%	0.225	S	C	.	.	S	Bend	trans	-127	25.5	-175.4	-72.6	-174.7	179.5	-176	4.7	113.2	H32 V36 Y204 N259	H32-R261 WeakPolarHBondContact CE1-CG 3.31Å; H32-R261 PolarHBondContact CE1-NE 3.18Å; H32-R261 PolarHBondContact NE2-NE 3.48Å; V36-R261 HydrophobicContact CG2-CB 4.47Å; Y204-R261 WeakPolarHBondContact CE2-O 3.33Å; Y204-R261 PolarHBondContact OH-O 2.73Å; N259-R261 PolarHBondContact O-N 2.9Å; N259-R261 VanDerWaalsContact OD1-C 3.27Å; N259-R261 WeakPolarHBondContact OD1-CA 3.38Å; N259-R261 PolarHBondContact OD1-N 2.94Å
262	D	93.4	Very high	92.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.25	C	C	.	.	S	Bend	trans	-108.4	-172.8	178.9	58	30.7	0	0	0	112.9	Y54 Y190 Y204 F230 S258 N259 L264 S265	Y54-D262 HydrophobicContact CD1-CB 4.45Å; Y54-D262 HydrophobicContact CE1-CB 3.38Å; Y54-D262 WeakPolarHBondContact OH-CB 3.48Å; Y54-D262 PolarHBondContact OH-OD2 3.07Å; Y190-D262 PolarHBondContact OH-O 3.07Å; Y204-D262 WeakPolarHBondContact OH-CA 3.36Å; F230-D262 HydrophobicContact CB-CB 4.4Å; S258-D262 WeakPolarHBondContact CA-OD2 3.45Å; S258-D262 WeakPolarHBondContact CB-OD2 3.38Å; S258-D262 PolarHBondContact OG-OD1 2.88Å; S258-D262 PolarHBondContact OG-OD2 3.21Å; N259-D262 PolarHBondContact N-OD2 3.39Å; N259-D262 VanDerWaalsContact N-OD2 3.08Å; N259-D262 WeakPolarHBondContact OD1-CB 3.34Å; N259-D262 PolarHBondContact OD1-N 3.4Å; N259-D262 PolarHBondContact OD1-OD2 2.93Å; D262-L264 PolarHBondContact O-N 3.17Å; D262-L264 WeakPolarHBondContact OD1-CA 3.47Å; D262-L264 WeakPolarHBondContact OD1-CB 3.45Å; D262-L264 PolarHBondContact OD1-N 2.95Å; D262-S265 WeakPolarHBondContact O-CB 3.43Å; D262-S265 PolarHBondContact O-N 3.29Å
263	T	93.1	Very high	92	Very high	7 Å²	7	41.7 Å²	41.7	4%	0.043	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-18.1	178.6	60.9	0	0	0	0	113.7	E55 Y92 Y188 Y190 Y204	E55-T263 HydrophobicContact CG-CG2 4.07Å; Y92-T263 HydrophobicContact CD1-CG2 4.11Å; Y92-T263 WeakPolarHBondContact O-CG2 3.4Å; Y92-T263 PolarHBondContact O-OG1 2.79Å; Y188-T263 HydrophobicContact CD2-CG2 4.44Å; Y188-T263 HydrophobicContact CG-CG2 4.35Å; Y190-T263 WeakPolarHBondContact OH-CA 3.46Å; Y190-T263 PolarHBondContact OH-N 3.37Å; Y190-T263 PolarHBondContact OH-O 2.76Å; Y204-T263 HydrophobicContact CD1-CG2 4.46Å; Y204-T263 HydrophobicContact CE1-CG2 4.03Å
264	L	92.7	Very high	91.5	Very high	37 Å²	37	41.8 Å²	41.8	19%	0.194	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	3.1	177.5	-53.9	-179.5	0	0	0	114.1	F230 L256 C257 D262 K266 A267 W268	F230-L264 HydrophobicContact CB-CD1 3.95Å; F230-L264 HydrophobicContact CB-CG 4.17Å; L256-L264 HydrophobicContact CB-CD1 4.28Å; L256-L264 HydrophobicContact CD1-CB 4.28Å; L256-L264 HydrophobicContact CD1-CD1 4.21Å; L256-L264 HydrophobicContact CD2-CB 4.48Å; C257-L264 WeakPolarHBondContact O-CD1 3.41Å; D262-L264 PolarHBondContact O-N 3.17Å; D262-L264 WeakPolarHBondContact OD1-CA 3.47Å; D262-L264 WeakPolarHBondContact OD1-CB 3.45Å; D262-L264 PolarHBondContact OD1-N 2.95Å; L264-K266 PolarHBondContact O-N 2.83Å; L264-K266 VanDerWaalsContact O-N 3.12Å; L264-A267 PolarHBondContact O-N 2.98Å; L264-W268 PolarHBondContact O-N 3.07Å
265	S	91.3	Very high	90.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-54.4	-34.8	-176.7	-166.8	0	0	0	0	113.7	G260 D262 W268 M269	G260-S265 PolarHBondContact O-OG 2.65Å; D262-S265 WeakPolarHBondContact O-CB 3.43Å; D262-S265 PolarHBondContact O-N 3.29Å; S265-W268 WeakPolarHBondContact O-CB 3.34Å; S265-W268 PolarHBondContact O-N 3.03Å; S265-M269 VanDerWaalsContact O-CG 3.3Å; S265-M269 WeakPolarHBondContact O-CG 3.38Å; S265-M269 PolarHBondContact O-N 3.19Å
266	K	88.8	Confident	89.1	Confident	110 Å²	110	41.9 Å²	41.9	48%	0.478	22%	0.216	S	C	.	.	H	α-helix	trans	-62.4	-48.2	174.1	-176.4	177.4	178.3	178.5	0	112.1	T29 L264 W268 M269 I270	T29-K266 HydrophobicContact CG2-CB 4.05Å; L264-K266 PolarHBondContact O-N 2.83Å; L264-K266 VanDerWaalsContact O-N 3.12Å; K266-W268 VanDerWaalsContact C-N 3.31Å; K266-M269 PolarHBondContact O-N 2.86Å; K266-I270 HydrophobicContact CG-CD1 3.89Å; K266-I270 VanDerWaalsContact O-CG1 3.3Å; K266-I270 WeakPolarHBondContact O-CG1 3.44Å; K266-I270 PolarHBondContact O-N 2.58Å; K266-I270 VanDerWaalsContact O-N 3.08Å
267	A	90.5	Very high	87.4	Confident	34 Å²	34	42 Å²	42	28%	0.281	22%	0.217	S	C	.	.	H	α-helix	trans	-66.7	-37.6	178.1	0	0	0	0	0	110.8	L256 L264 M269 N271	L256-A267 HydrophobicContact CD2-CB 3.66Å; L264-A267 PolarHBondContact O-N 2.98Å; A267-M269 PolarHBondContact O-N 3.23Å; A267-N271 WeakPolarHBondContact O-CB 3.42Å; A267-N271 PolarHBondContact O-N 2.89Å; A267-N271 PolarHBondContact O-ND2 2.8Å
268	W	90.7	Very high	85.3	Confident	10 Å²	10	47.6 Å²	47.6	4%	0.038	25%	0.245	C	C	.	.	H	α-helix	trans	-55.3	-48.8	173.9	-175.5	-90.6	0	0	0	112.5	H249 C251 L256 L264 S265 K266 N272 C273 T274 N277	H249-W268 HydrophobicContact CB-CH2 3.46Å; H249-W268 VanDerWaalsContact CB-CH2 3.46Å; H249-W268 HydrophobicContact CB-CZ2 4.21Å; H249-W268 HydrophobicContact CB-CZ3 4.28Å; H249-W268 WeakPolarHBondContact O-CZ3 3.5Å; C251-W268 HydrophobicContact CB-CE3 3.99Å; C251-W268 HydrophobicContact CB-CH2 4.36Å; C251-W268 HydrophobicContact CB-CZ3 3.68Å; L256-W268 HydrophobicContact CD1-CE3 3.88Å; L256-W268 HydrophobicContact CD1-CZ3 4.37Å; L264-W268 PolarHBondContact O-N 3.07Å; S265-W268 WeakPolarHBondContact O-CB 3.34Å; S265-W268 PolarHBondContact O-N 3.03Å; K266-W268 VanDerWaalsContact C-N 3.31Å; W268-N272 PolarHBondContact O-N 2.87Å; W268-C273 HydrophobicContact CD2-CB 3.38Å; W268-C273 HydrophobicContact CE3-CB 3.63Å; W268-C273 HydrophobicContact CG-CB 3.89Å; W268-C273 HydrophobicContact CH2-CB 3.81Å; W268-C273 HydrophobicContact CZ2-CB 3.59Å; W268-C273 HydrophobicContact CZ3-CB 3.86Å; W268-C273 WeakPolarHBondContact O-CB 3.43Å; W268-C273 PolarHBondContact O-N 2.9Å; W268-C273 PolarHBondContact O-SG 3.46Å; W268-T274 PolarHBondContact NE1-OG1 2.87Å; W268-T274 VanDerWaalsContact NE1-OG1 3.08Å; W268-N277 VanDerWaalsContact CH2-ND2 3.29Å; W268-N277 WeakPolarHBondContact CH2-ND2 3.24Å
269	M	88.1	Confident	82.9	Confident	18 Å²	18	53.3 Å²	53.3	9%	0.089	27%	0.271	C	S	.	.	H	α-helix	trans	-71.9	-45.5	-178.2	-69.1	177.6	177.6	0	0	112.8	F28 T29 H32 S265 K266 A267 N271 N272	F28-M269 HydrophobicContact CD1-CE 3.5Å; F28-M269 VanDerWaalsContact CD1-CE 3.5Å; F28-M269 HydrophobicContact CD1-CG 4.36Å; F28-M269 HydrophobicContact CD1-SD 3.41Å; F28-M269 WeakPolarHBondContact CD1-SD 3.35Å; F28-M269 HydrophobicContact CE1-CE 3.52Å; F28-M269 HydrophobicContact CE1-SD 3.96Å; F28-M269 HydrophobicContact CG-SD 4.44Å; T29-M269 WeakPolarHBondContact CA-SD 3.5Å; T29-M269 HydrophobicContact CG2-SD 4.25Å; T29-M269 PolarHBondContact OG1-SD 2.91Å; H32-M269 HydrophobicContact CB-CE 3.46Å; H32-M269 VanDerWaalsContact CB-CE 3.46Å; H32-M269 VanDerWaalsContact CG-CE 3.47Å; H32-M269 WeakPolarHBondContact ND1-CE 3.49Å; S265-M269 VanDerWaalsContact O-CG 3.3Å; S265-M269 WeakPolarHBondContact O-CG 3.38Å; S265-M269 PolarHBondContact O-N 3.19Å; K266-M269 PolarHBondContact O-N 2.86Å; A267-M269 PolarHBondContact O-N 3.23Å; M269-N271 PolarHBondContact O-N 2.82Å; M269-N271 VanDerWaalsContact O-N 3.16Å; M269-N272 PolarHBondContact O-N 3.18Å
270	I	88.4	Confident	80.9	Confident	86 Å²	86	57.4 Å²	57.4	44%	0.441	29%	0.288	S	S	.	.	H	α-helix	trans	-57.3	-33.7	179.3	-72	170.2	0	0	0	111.4	N25 K266	N25-I270 HydrophobicContact CB-CG1 4.33Å; K266-I270 HydrophobicContact CG-CD1 3.89Å; K266-I270 VanDerWaalsContact O-CG1 3.3Å; K266-I270 WeakPolarHBondContact O-CG1 3.44Å; K266-I270 PolarHBondContact O-N 2.58Å; K266-I270 VanDerWaalsContact O-N 3.08Å
271	N	90	Very high	78.8	Confident	57 Å²	57	61.7 Å²	61.7	31%	0.305	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	10.2	-178.3	-70.9	-76.8	0	0	0	114.2	T253 A254 A267 M269 C273	T253-N271 PolarHBondContact OG1-O 3.29Å; A254-N271 HydrophobicContact CB-CB 3.76Å; A267-N271 WeakPolarHBondContact O-CB 3.42Å; A267-N271 PolarHBondContact O-N 2.89Å; A267-N271 PolarHBondContact O-ND2 2.8Å; M269-N271 PolarHBondContact O-N 2.82Å; M269-N271 VanDerWaalsContact O-N 3.16Å; N271-C273 PolarHBondContact O-N 2.81Å
272	N	88.1	Confident	76.3	Confident	101 Å²	101	60.3 Å²	60.3	54%	0.54	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	36.6	179.1	-70.3	-41.8	0	0	0	114	W268 M269 T274 N275	W268-N272 PolarHBondContact O-N 2.87Å; M269-N272 PolarHBondContact O-N 3.18Å; N272-T274 VanDerWaalsContact C-N 3.3Å; N272-T274 PolarHBondContact O-N 3.21Å; N272-N275 PolarHBondContact O-N 2.78Å
273	C	91.1	Very high	73.9	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-61.3	-34.4	-171.7	-59.5	0	0	0	0	113.5	C251 W268 N271 N275 N276 N277	C251-C273 HydrophobicContact CB-CB 3.57Å; C251-C273 WeakPolarHBondContact CB-SG 3.37Å; C251-C273 WeakPolarHBondContact SG-CB 3.24Å; C251-C273 CovalentContact SG-SG 2Å; C251-C273 PolarHBondContact SG-SG 3.02Å; W268-C273 HydrophobicContact CD2-CB 3.38Å; W268-C273 HydrophobicContact CE3-CB 3.63Å; W268-C273 HydrophobicContact CG-CB 3.89Å; W268-C273 HydrophobicContact CH2-CB 3.81Å; W268-C273 HydrophobicContact CZ2-CB 3.59Å; W268-C273 HydrophobicContact CZ3-CB 3.86Å; W268-C273 WeakPolarHBondContact O-CB 3.43Å; W268-C273 PolarHBondContact O-N 2.9Å; W268-C273 PolarHBondContact O-SG 3.46Å; N271-C273 PolarHBondContact O-N 2.81Å; C273-N275 VanDerWaalsContact C-N 3.33Å; C273-N275 PolarHBondContact O-N 2.89Å; C273-N276 PolarHBondContact O-N 2.89Å; C273-N277 PolarHBondContact O-N 2.85Å
274	T	84.7	Confident	71.8	Confident	80 Å²	80	68.9 Å²	68.9	49%	0.491	36%	0.355	S	S	.	.	H	α-helix	trans	-58	-41.4	178.5	-49	0	0	0	0	112.7	W268 N272 M278	W268-T274 PolarHBondContact NE1-OG1 2.87Å; W268-T274 VanDerWaalsContact NE1-OG1 3.08Å; N272-T274 VanDerWaalsContact C-N 3.3Å; N272-T274 PolarHBondContact O-N 3.21Å; T274-M278 PolarHBondContact O-N 2.84Å
275	N	76	Confident	69.2	Low	91 Å²	91	72.8 Å²	72.8	49%	0.487	37%	0.372	S	S	.	.	H	α-helix	trans	-74.7	-33.6	-177.1	-67.8	-16.9	0	0	0	112.3	N272 C273 N277 Q279	N272-N275 PolarHBondContact O-N 2.78Å; C273-N275 VanDerWaalsContact C-N 3.33Å; C273-N275 PolarHBondContact O-N 2.89Å; N275-N277 VanDerWaalsContact C-N 3.33Å; N275-Q279 PolarHBondContact O-N 3.34Å
276	N	61.2	Low	66.8	Low	57 Å²	57	78.5 Å²	78.5	31%	0.305	40%	0.398	S	S	.	.	H	α-helix	trans	-72.3	-28.2	-178.5	-70	-18	0	0	0	112.2	T253 C273	T253-N276 WeakPolarHBondContact CG2-ND2 3.21Å; C273-N276 PolarHBondContact O-N 2.89Å
277	N	60	Low	64.3	Low	27 Å²	27	79.7 Å²	79.7	14%	0.144	41%	0.408	C	S	.	.	H	α-helix	trans	-74.4	-42.3	175.7	-67.2	-15.8	0	0	0	111.9	H249 W250 W268 C273 N275 Q279 K280 D281	H249-N277 WeakPolarHBondContact CB-ND2 3.46Å; W250-N277 PolarHBondContact O-OD1 3.17Å; W268-N277 VanDerWaalsContact CH2-ND2 3.29Å; W268-N277 WeakPolarHBondContact CH2-ND2 3.24Å; C273-N277 PolarHBondContact O-N 2.85Å; N275-N277 VanDerWaalsContact C-N 3.33Å; N277-Q279 PolarHBondContact O-N 3.18Å; N277-K280 WeakPolarHBondContact O-CB 3Å; N277-K280 PolarHBondContact O-N 2.81Å; N277-D281 PolarHBondContact O-N 3.14Å
278	M	52.8	Low	61.9	Low	118 Å²	118	82.8 Å²	82.8	58%	0.581	42%	0.419	S	S	*	.	H	α-helix	trans	-61.4	-29.7	174.4	-63.7	-174.7	80.3	0	0	113.1	T274 K280 N282	T274-M278 PolarHBondContact O-N 2.84Å; M278-K280 VanDerWaalsContact C-N 3.25Å; M278-K280 PolarHBondContact O-N 3.45Å; M278-N282 PolarHBondContact O-N 3.2Å
279	Q	46	Very low	59.5	Low	120 Å²	120	87.4 Å²	87.4	56%	0.561	45%	0.445	S	S	*	.	H	α-helix	trans	-70.4	-21.4	174.1	-75.6	-175.2	6	0	0	113.3	N275 N277 K283	N275-Q279 PolarHBondContact O-N 3.34Å; N277-Q279 PolarHBondContact O-N 3.18Å; Q279-K283 WeakPolarHBondContact O-CG 3.47Å; Q279-K283 PolarHBondContact O-N 2.82Å
280	K	50.4	Low	57.3	Low	115 Å²	115	92.1 Å²	92.1	50%	0.5	47%	0.465	S	S	.	.	H	α-helix	trans	-81.3	-39.5	177.5	-154.7	178.2	-180	-173.1	0	110.8	N277 M278 N282 K283 S284	N277-K280 WeakPolarHBondContact O-CB 3Å; N277-K280 PolarHBondContact O-N 2.81Å; M278-K280 VanDerWaalsContact C-N 3.25Å; M278-K280 PolarHBondContact O-N 3.45Å; K280-N282 VanDerWaalsContact C-N 3.35Å; K280-N282 PolarHBondContact O-N 2.98Å; K280-K283 CarbonylContact O-C 3.58Å; K280-K283 PolarHBondContact O-N 3.46Å; K280-S284 PolarHBondContact O-N 3.47Å; K280-S284 PolarHBondContact O-OG 2.95Å
281	D	47.1	Very low	55.1	Low	97 Å²	97	90.3 Å²	90.3	52%	0.519	46%	0.46	S	S	.	.	H	α-helix	trans	-63.4	-41.4	176	-58.8	-27.5	0	0	0	111.5	N277 K283 S284 E285	N277-D281 PolarHBondContact O-N 3.14Å; D281-K283 VanDerWaalsContact C-N 3.27Å; D281-K283 PolarHBondContact O-N 3.06Å; D281-S284 VanDerWaalsContact CA-OG 3.3Å; D281-S284 WeakPolarHBondContact CA-OG 2.99Å; D281-S284 PolarHBondContact O-N 2.72Å; D281-S284 PolarHBondContact O-OG 2.68Å; D281-E285 PolarHBondContact O-N 3.2Å
282	N	38.9	Very low	52.7	Low	102 Å²	102	93.4 Å²	93.4	55%	0.545	47%	0.472	S	S	.	.	H	α-helix	trans	-66.1	-28.5	173.4	-69.6	-11.1	0	0	0	112.9	M278 K280 E286	M278-N282 PolarHBondContact O-N 3.2Å; K280-N282 VanDerWaalsContact C-N 3.35Å; K280-N282 PolarHBondContact O-N 2.98Å; N282-E286 WeakPolarHBondContact O-CB 3.44Å; N282-E286 PolarHBondContact O-N 2.89Å
283	K	42.6	Very low	50.2	Low	134 Å²	134	95.8 Å²	95.8	58%	0.583	48%	0.48	S	S	*	.	H	α-helix	trans	-79.1	-31	175.7	-83.8	-179.2	178	176.2	0	112.5	Q279 K280 D281 M287	Q279-K283 WeakPolarHBondContact O-CG 3.47Å; Q279-K283 PolarHBondContact O-N 2.82Å; K280-K283 CarbonylContact O-C 3.58Å; K280-K283 PolarHBondContact O-N 3.46Å; D281-K283 VanDerWaalsContact C-N 3.27Å; D281-K283 PolarHBondContact O-N 3.06Å; K283-M287 WeakPolarHBondContact O-CB 3.36Å; K283-M287 WeakPolarHBondContact O-CG 3Å; K283-M287 PolarHBondContact O-N 2.91Å
284	S	47.7	Very low	47.7	Very low	52 Å²	52	102.5 Å²	102.5	36%	0.364	51%	0.513	S	S	.	.	H	α-helix	trans	-68.1	-41.3	168.8	37.8	0	0	0	0	111.1	K280 D281 E286 M287 D288	K280-S284 PolarHBondContact O-N 3.47Å; K280-S284 PolarHBondContact O-OG 2.95Å; D281-S284 VanDerWaalsContact CA-OG 3.3Å; D281-S284 WeakPolarHBondContact CA-OG 2.99Å; D281-S284 PolarHBondContact O-N 2.72Å; D281-S284 PolarHBondContact O-OG 2.68Å; S284-E286 VanDerWaalsContact C-N 3.31Å; S284-E286 PolarHBondContact O-N 3.01Å; S284-M287 CarbonylContact O-C 3.5Å; S284-M287 WeakPolarHBondContact O-CA 3.31Å; S284-M287 PolarHBondContact O-N 2.88Å; S284-D288 PolarHBondContact O-N 2.9Å
285	E	39.8	Very low	45.3	Very low	119 Å²	119	104.4 Å²	104.4	56%	0.556	52%	0.52	S	S	*	.	H	α-helix	trans	-64.5	-33.6	173.1	-71.9	-178.3	179.5	0	0	112.5	D281 M287 N289	D281-E285 PolarHBondContact O-N 3.2Å; E285-M287 VanDerWaalsContact C-N 3.33Å; E285-N289 WeakPolarHBondContact O-CB 3.25Å; E285-N289 PolarHBondContact O-N 2.71Å; E285-N289 PolarHBondContact O-ND2 3.48Å
286	E	39.4	Very low	43.2	Very low	120 Å²	120	106.6 Å²	106.6	56%	0.561	53%	0.532	S	S	*	.	H	α-helix	trans	-71.8	-27	172	-120.9	-177.1	177	0	0	113	N282 S284 K290	N282-E286 WeakPolarHBondContact O-CB 3.44Å; N282-E286 PolarHBondContact O-N 2.89Å; S284-E286 VanDerWaalsContact C-N 3.31Å; S284-E286 PolarHBondContact O-N 3.01Å; E286-K290 WeakPolarHBondContact O-CB 3.35Å; E286-K290 WeakPolarHBondContact O-CG 3.3Å; E286-K290 PolarHBondContact O-N 3.32Å
287	M	37.9	Very low	41.8	Very low	136 Å²	136	113.2 Å²	113.2	67%	0.67	56%	0.558	S	S	*	*	H	α-helix	trans	-78.8	-35.4	173.9	-79.4	-171.5	63.9	0	0	111.8	K283 S284 E285 K290 S291	K283-M287 WeakPolarHBondContact O-CB 3.36Å; K283-M287 WeakPolarHBondContact O-CG 3Å; K283-M287 PolarHBondContact O-N 2.91Å; S284-M287 CarbonylContact O-C 3.5Å; S284-M287 WeakPolarHBondContact O-CA 3.31Å; S284-M287 PolarHBondContact O-N 2.88Å; E285-M287 VanDerWaalsContact C-N 3.33Å; M287-K290 CarbonylContact O-C 3.52Å; M287-K290 PolarHBondContact O-N 2.82Å; M287-S291 PolarHBondContact O-N 2.86Å; M287-S291 PolarHBondContact O-OG 2.83Å
288	D	40.2	Very low	40.5	Very low	99 Å²	99	116.1 Å²	116.1	53%	0.529	58%	0.581	S	S	.	*	H	α-helix	trans	-72.8	-36.7	176.5	-68.7	-24.8	0	0	0	111.5	S284 K290 S291 E292	S284-D288 PolarHBondContact O-N 2.9Å; D288-K290 VanDerWaalsContact C-N 3.26Å; D288-K290 PolarHBondContact O-N 2.88Å; D288-S291 VanDerWaalsContact CA-OG 3.3Å; D288-S291 WeakPolarHBondContact CA-OG 3.49Å; D288-S291 PolarHBondContact O-N 2.85Å; D288-S291 PolarHBondContact O-OG 2.84Å; D288-E292 PolarHBondContact O-N 2.96Å
289	N	39.9	Very low	39.3	Very low	106 Å²	106	119.2 Å²	119.2	57%	0.567	59%	0.594	S	S	*	*	H	α-helix	trans	-66.6	-28.6	169.2	-78	-59.8	0	0	0	112.5	E285 E293	E285-N289 WeakPolarHBondContact O-CB 3.25Å; E285-N289 PolarHBondContact O-N 2.71Å; E285-N289 PolarHBondContact O-ND2 3.48Å; N289-E293 WeakPolarHBondContact O-CB 3.46Å; N289-E293 PolarHBondContact O-N 2.84Å; N289-E293 VanDerWaalsContact O-N 3.15Å
290	K	40.6	Very low	38.3	Very low	117 Å²	117	122.1 Å²	122.1	51%	0.509	61%	0.607	S	S	.	*	H	α-helix	trans	-79.7	-30.2	174.6	-84	176.3	-178.9	164.4	0	113.3	E286 M287 D288 M294	E286-K290 WeakPolarHBondContact O-CB 3.35Å; E286-K290 WeakPolarHBondContact O-CG 3.3Å; E286-K290 PolarHBondContact O-N 3.32Å; M287-K290 CarbonylContact O-C 3.52Å; M287-K290 PolarHBondContact O-N 2.82Å; D288-K290 VanDerWaalsContact C-N 3.26Å; D288-K290 PolarHBondContact O-N 2.88Å; K290-M294 WeakPolarHBondContact O-CG 3.22Å; K290-M294 PolarHBondContact O-N 2.84Å; K290-M294 VanDerWaalsContact O-N 3.09Å
291	S	42.9	Very low	37.1	Very low	48 Å²	48	125.6 Å²	125.6	34%	0.336	62%	0.622	S	S	.	*	H	α-helix	trans	-72.8	-38.9	172.2	54.4	0	0	0	0	110.8	M287 D288 E293 M294 D295	M287-S291 PolarHBondContact O-N 2.86Å; M287-S291 PolarHBondContact O-OG 2.83Å; D288-S291 VanDerWaalsContact CA-OG 3.3Å; D288-S291 WeakPolarHBondContact CA-OG 3.49Å; D288-S291 PolarHBondContact O-N 2.85Å; D288-S291 PolarHBondContact O-OG 2.84Å; S291-E293 VanDerWaalsContact C-N 3.29Å; S291-E293 PolarHBondContact O-N 2.8Å; S291-M294 PolarHBondContact O-N 2.8Å; S291-M294 VanDerWaalsContact O-N 3.1Å; S291-D295 WeakPolarHBondContact O-CB 3.27Å; S291-D295 PolarHBondContact O-N 3.46Å
292	E	39	Very low	36	Very low	123 Å²	123	127.4 Å²	127.4	58%	0.575	63%	0.632	S	S	*	*	H	α-helix	trans	-64.2	-31.4	171.4	-74.3	-172	175.8	0	0	112.9	D288 N296	D288-E292 PolarHBondContact O-N 2.96Å; E292-N296 WeakPolarHBondContact O-CB 3.42Å; E292-N296 PolarHBondContact O-N 2.87Å; E292-N296 PolarHBondContact O-ND2 3.4Å
293	E	37.1	Very low	35.4	Very low	151 Å²	151	131.6 Å²	131.6	71%	0.706	65%	0.646	S	S	*	*	H	α-helix	trans	-75.9	-24.1	173.9	-153.9	176.9	-160.9	0	0	112.7	N289 S291	N289-E293 WeakPolarHBondContact O-CB 3.46Å; N289-E293 PolarHBondContact O-N 2.84Å; N289-E293 VanDerWaalsContact O-N 3.15Å; S291-E293 VanDerWaalsContact C-N 3.29Å; S291-E293 PolarHBondContact O-N 2.8Å
294	M	37.6	Very low	34.3	Very low	141 Å²	141	134.8 Å²	134.8	70%	0.695	66%	0.659	S	S	*	*	H	α-helix	trans	-84	-36.3	173.6	-73.2	-165.8	-147.6	0	0	112.8	K290 S291 K297	K290-M294 WeakPolarHBondContact O-CG 3.22Å; K290-M294 PolarHBondContact O-N 2.84Å; K290-M294 VanDerWaalsContact O-N 3.09Å; S291-M294 PolarHBondContact O-N 2.8Å; S291-M294 VanDerWaalsContact O-N 3.1Å; M294-K297 PolarHBondContact O-N 2.9Å
295	D	33.5	Very low	33.2	Very low	119 Å²	119	136.5 Å²	136.5	64%	0.636	67%	0.672	S	S	*	*	H	α-helix	trans	-79.6	-26.2	-177.6	-70.9	-21.6	0	0	0	112.4	S291 K297 S298	S291-D295 WeakPolarHBondContact O-CB 3.27Å; S291-D295 PolarHBondContact O-N 3.46Å; D295-K297 PolarHBondContact O-N 2.85Å; D295-K297 VanDerWaalsContact O-N 3.17Å; D295-S298 PolarHBondContact O-N 3.45Å; D295-S298 VanDerWaalsContact O-N 3.1Å
296	N	31.8	Very low	32.5	Very low	138 Å²	138	139.2 Å²	139.2	74%	0.738	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	0.4	172.1	-81.6	-47.7	0	0	0	114.9	E292 S298	E292-N296 WeakPolarHBondContact O-CB 3.42Å; E292-N296 PolarHBondContact O-N 2.87Å; E292-N296 PolarHBondContact O-ND2 3.4Å; N296-S298 VanDerWaalsContact C-N 3.32Å
297	K	32.9	Very low	31.7	Very low	196 Å²	196	140 Å²	140	85%	0.852	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-3.6	167.5	-112.5	175.7	-176.4	169.2	0	113.4	M294 D295	M294-K297 PolarHBondContact O-N 2.9Å; D295-K297 PolarHBondContact O-N 2.85Å; D295-K297 VanDerWaalsContact O-N 3.17Å
298	S	32.6	Very low	30.9	Very low	88 Å²	88	140.7 Å²	140.7	62%	0.615	69%	0.691	S	S	*	*	S	Bend	trans	-132.6	33.9	-165	-178.9	0	0	0	0	113.5	D295 N296	D295-S298 PolarHBondContact O-N 3.45Å; D295-S298 VanDerWaalsContact O-N 3.1Å; N296-S298 VanDerWaalsContact C-N 3.32Å
299	E	27	Very low	30.1	Very low	182 Å²	182	141.7 Å²	141.7	85%	0.85	70%	0.696	S	S	*	*	S	Bend	trans	-169.2	139.4	151.5	-109.6	157	-165.7	0	0	113.1
300	Q	25.6	Very low	29.4	Very low	182 Å²	182	144.9 Å²	144.9	85%	0.85	71%	0.705	S	S	*	*			trans	72.5	97	170.5	-88.6	179.9	-58.1	0	0	121.2
301	K	24.4	Very low	28.5	Very low	187 Å²	187	149 Å²	149	81%	0.813	72%	0.723	S	S	*	*				-40.1	144.6	125.3	-82.3	173.6	171.5	173.1	0	111.8
302	D	24.9	Very low	27.8	Very low	136 Å²	136	151.8 Å²	151.8	73%	0.727	74%	0.743	S	S	*	*			trans	96.2	99.6	162.7	-60.7	-38.7	0	0	0	119
303	K	25.2	Very low	27.1	Very low	190 Å²	190	153.5 Å²	153.5	83%	0.826	76%	0.756	S	S	*	*			trans	73.8	100.4	135.4	-66.1	179.3	-179.9	174.6	0	120.2
304	K	21.5	Very low	26.8	Very low	200 Å²	200	154.4 Å²	154.4	87%	0.87	76%	0.76	S	S	*	*				37	110	109.7	-157.1	-174.2	-170.1	-175.4	0	117.4
305	S	23	Very low	26.3	Very low	89 Å²	89	157 Å²	157	62%	0.622	77%	0.768	S	S	*	*				160.7	138.1	100.7	61.6	0	0	0	0	112.5
306	E	25.5	Very low	26.4	Very low	176 Å²	176	157.5 Å²	157.5	82%	0.822	77%	0.77	S	S	*	*			trans	66.5	145.4	147.6	-69.6	167.4	-169.5	0	0	118.5
307	Q	22.1	Very low	26.4	Very low	137 Å²	137	158.8 Å²	158.8	64%	0.64	78%	0.777	S	S	*	*			cis	177.4	143.1	-11.9	174.5	174.7	-20.3	0	0	103.3
308	M	20.9	Very low	26.6	Very low	149 Å²	149	158.5 Å²	158.5	73%	0.734	78%	0.776	S	S	*	*			trans	37.5	138.6	154.7	-58.5	171	-169.6	0	0	119.4
309	D	23.7	Very low	27	Very low	120 Å²	120	159.2 Å²	159.2	64%	0.642	78%	0.779	S	S	*	*				172.8	154.1	65.7	-126.8	-12.9	0	0	0	110.6
310	K	26.6	Very low	27.7	Very low	173 Å²	173	157.7 Å²	157.7	75%	0.752	77%	0.773	S	S	*	*			trans	69.8	111	150.9	-64.4	165.1	-173	165.9	0	119.4
311	K	21.4	Very low	28.5	Very low	203 Å²	203	156.1 Å²	156.1	88%	0.883	76%	0.764	S	S	*	*				55.8	111.4	75	-87.4	-170	174.9	-179.6	0	116.1
312	S	26.8	Very low	29.9	Very low	108 Å²	108	152 Å²	152	76%	0.755	75%	0.75	S	S	*	*				-172.4	104.1	129.1	59.5	0	0	0	0	108.6
313	D	25.2	Very low	31.1	Very low	158 Å²	158	153.8 Å²	153.8	85%	0.845	75%	0.748	S	S	*	*				67.7	89.4	97.6	-73.4	-32.7	0	0	0	114.6
314	Q	31.5	Very low	32.6	Very low	170 Å²	170	148.8 Å²	148.8	79%	0.794	73%	0.73	S	S	*	*			trans	-133.9	114.5	142.9	-162.1	168.9	-36.2	0	0	108.7	D316	Q314-D316 PolarHBondContact O-N 3.12Å
315	K	25.8	Very low	34.4	Very low	196 Å²	196	147.3 Å²	147.3	85%	0.852	72%	0.721	S	S	*	*			trans	-99.8	74.2	-164.4	-156.1	-174.4	-161.6	178.8	0	107.8
316	D	35.8	Very low	36.4	Very low	129 Å²	129	147.6 Å²	147.6	69%	0.69	72%	0.718	S	S	*	*			trans	-82.1	122.1	177.5	-70.9	-37.8	0	0	0	110.5	Q314 K318	Q314-D316 PolarHBondContact O-N 3.12Å; D316-K318 PolarHBondContact O-N 2.9Å
317	N	33	Very low	38.1	Very low	166 Å²	166	143 Å²	143	89%	0.888	70%	0.699	S	S	*	*			trans	-51.2	104.9	-173.8	-88.5	-30.4	0	0	0	112.3
318	K	35.9	Very low	40.5	Very low	190 Å²	190	140.7 Å²	140.7	83%	0.826	69%	0.69	S	S	*	*			trans	-63.6	129.1	172.9	-149.5	171.2	-171	172.5	0	109.8	D316 M320	D316-K318 PolarHBondContact O-N 2.9Å; K318-M320 VanDerWaalsContact C-N 3.26Å; K318-M320 PolarHBondContact O-N 2.8Å
319	P	40.6	Very low	42.8	Very low	103 Å²	103	137.1 Å²	137.1	67%	0.669	68%	0.678	S	S	*	*			trans	-79	74	-174.5	32.3	-34	0	0	0	110.5	F321	P319-F321 PolarHBondContact O-N 3.41Å
320	M	41.8	Very low	45.1	Very low	149 Å²	149	134.5 Å²	134.5	73%	0.734	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-9.1	174.2	-158.1	-174.7	-97.5	0	0	112.2	K318 N322	K318-M320 VanDerWaalsContact C-N 3.26Å; K318-M320 PolarHBondContact O-N 2.8Å; M320-N322 PolarHBondContact O-N 3.2Å
321	F	43.8	Very low	47.5	Very low	149 Å²	149	130.1 Å²	130.1	65%	0.654	66%	0.656	S	S	*	*	H	α-helix	trans	-68.7	-27.7	-178.4	-79.2	-78.5	0	0	0	114	P319 Y323 L324 Y325	P319-F321 PolarHBondContact O-N 3.41Å; F321-Y323 VanDerWaalsContact C-N 3.32Å; F321-Y323 PolarHBondContact O-N 3.19Å; F321-L324 PolarHBondContact O-N 2.98Å; F321-Y325 HydrophobicContact CD1-CE2 4.41Å; F321-Y325 VanDerWaalsContact O-CD2 3.3Å; F321-Y325 WeakPolarHBondContact O-CD2 3.24Å
322	N	52.9	Low	50.3	Low	100 Å²	100	125 Å²	125	54%	0.535	64%	0.638	S	S	.	*	H	α-helix	trans	-67	-28.8	-177.8	-89.4	1.8	0	0	0	114.1	M320	M320-N322 PolarHBondContact O-N 3.2Å
323	Y	50.6	Low	52.7	Low	174 Å²	174	121.6 Å²	121.6	68%	0.682	62%	0.62	S	S	*	*	H	α-helix	trans	-79.3	-33	-176.9	-139.1	-111.8	0	0	0	112.2	F321 L327	F321-Y323 VanDerWaalsContact C-N 3.32Å; F321-Y323 PolarHBondContact O-N 3.19Å; Y323-L327 HydrophobicContact CD1-CD1 3.27Å; Y323-L327 HydrophobicContact CD1-CG 4.09Å; Y323-L327 HydrophobicContact CE1-CD1 3.36Å; Y323-L327 HydrophobicContact CE1-CG 4.13Å; Y323-L327 HydrophobicContact CG-CD1 4.3Å; Y323-L327 WeakPolarHBondContact O-CB 3.4Å; Y323-L327 PolarHBondContact O-N 2.62Å; Y323-L327 VanDerWaalsContact O-N 3.15Å
324	L	56.3	Low	55.4	Low	86 Å²	86	120 Å²	120	45%	0.45	61%	0.61	S	S	.	*	H	α-helix	trans	-68.1	-41.6	-178.4	-81.8	150.5	0	0	0	112.1	F321 V326 I328	F321-L324 PolarHBondContact O-N 2.98Å; L324-V326 VanDerWaalsContact C-N 3.33Å; L324-V326 PolarHBondContact O-N 2.86Å; L324-I328 HydrophobicContact CB-CD1 4.18Å; L324-I328 HydrophobicContact CD2-CD1 3.8Å; L324-I328 HydrophobicContact CD2-CG1 4.45Å; L324-I328 VanDerWaalsContact O-CB 3.32Å; L324-I328 WeakPolarHBondContact O-CB 3.42Å; L324-I328 WeakPolarHBondContact O-CD1 3.44Å; L324-I328 WeakPolarHBondContact O-CG1 3.03Å; L324-I328 PolarHBondContact O-N 2.86Å
325	Y	60	Low	57.8	Low	169 Å²	169	115.9 Å²	115.9	66%	0.663	60%	0.597	S	S	*	*	H	α-helix	trans	-70.3	-24.6	-176.9	-78.7	-76.2	0	0	0	114.5	F321 P329	F321-Y325 HydrophobicContact CD1-CE2 4.41Å; F321-Y325 VanDerWaalsContact O-CD2 3.3Å; F321-Y325 WeakPolarHBondContact O-CD2 3.24Å; Y325-P329 WeakPolarHBondContact O-CD 3.28Å; Y325-P329 WeakPolarHBondContact O-CG 3.45Å
326	V	65.1	Low	60.5	Low	94 Å²	94	111.1 Å²	111.1	57%	0.57	58%	0.584	S	S	*	*	H	α-helix	trans	-91.5	-39.9	177.7	-178.7	0	0	0	0	111.3	L324 S330	L324-V326 VanDerWaalsContact C-N 3.33Å; L324-V326 PolarHBondContact O-N 2.86Å; V326-S330 WeakPolarHBondContact O-CB 3.26Å; V326-S330 PolarHBondContact O-N 2.95Å
327	L	61.5	Low	62.7	Low	79 Å²	79	108.8 Å²	108.8	41%	0.414	57%	0.574	S	S	.	*	H	α-helix	trans	-70.8	-42.2	-179.4	-79.7	178.7	0	0	0	112.9	Y323 S330 V331	Y323-L327 HydrophobicContact CD1-CD1 3.27Å; Y323-L327 HydrophobicContact CD1-CG 4.09Å; Y323-L327 HydrophobicContact CE1-CD1 3.36Å; Y323-L327 HydrophobicContact CE1-CG 4.13Å; Y323-L327 HydrophobicContact CG-CD1 4.3Å; Y323-L327 WeakPolarHBondContact O-CB 3.4Å; Y323-L327 PolarHBondContact O-N 2.62Å; Y323-L327 VanDerWaalsContact O-N 3.15Å; L327-S330 PolarHBondContact O-N 2.73Å; L327-V331 WeakPolarHBondContact O-CB 3.44Å; L327-V331 VanDerWaalsContact O-CG2 3.22Å; L327-V331 WeakPolarHBondContact O-CG2 3.48Å; L327-V331 PolarHBondContact O-N 3.21Å
328	I	72.2	Confident	64.9	Low	89 Å²	89	102.2 Å²	102.2	46%	0.456	55%	0.545	S	S	.	.	H	α-helix	trans	-60.4	-50	-174.2	-67.9	167.8	0	0	0	111.3	L324 S330 V331 I332	L324-I328 HydrophobicContact CB-CD1 4.18Å; L324-I328 HydrophobicContact CD2-CD1 3.8Å; L324-I328 HydrophobicContact CD2-CG1 4.45Å; L324-I328 VanDerWaalsContact O-CB 3.32Å; L324-I328 WeakPolarHBondContact O-CB 3.42Å; L324-I328 WeakPolarHBondContact O-CD1 3.44Å; L324-I328 WeakPolarHBondContact O-CG1 3.03Å; L324-I328 PolarHBondContact O-N 2.86Å; I328-S330 PolarHBondContact O-N 2.91Å; I328-V331 PolarHBondContact O-N 2.82Å; I328-I332 HydrophobicContact CG2-CD1 3.6Å; I328-I332 HydrophobicContact CG2-CG1 4.41Å; I328-I332 WeakPolarHBondContact O-CB 3.33Å; I328-I332 WeakPolarHBondContact O-CD1 3.38Å; I328-I332 WeakPolarHBondContact O-CG1 3.25Å; I328-I332 PolarHBondContact O-N 2.81Å
329	P	69	Low	67.2	Low	74 Å²	74	96.9 Å²	96.9	48%	0.481	53%	0.529	S	S	.	.	H	α-helix	trans	-66	-36	177.3	-21.3	34.3	0	0	0	113.2	Y325 I332 G333	Y325-P329 WeakPolarHBondContact O-CD 3.28Å; Y325-P329 WeakPolarHBondContact O-CG 3.45Å; P329-I332 PolarHBondContact O-N 3.01Å; P329-G333 PolarHBondContact O-N 2.84Å
330	S	72.3	Confident	69	Low	65 Å²	65	94 Å²	94	46%	0.455	52%	0.517	S	S	.	.	H	α-helix	trans	-64.4	-45.3	177.7	-176.5	0	0	0	0	111.6	V326 L327 I328 G333 L334	V326-S330 WeakPolarHBondContact O-CB 3.26Å; V326-S330 PolarHBondContact O-N 2.95Å; L327-S330 PolarHBondContact O-N 2.73Å; I328-S330 PolarHBondContact O-N 2.91Å; S330-G333 PolarHBondContact O-N 2.89Å; S330-L334 WeakPolarHBondContact O-CG 3.41Å; S330-L334 PolarHBondContact O-N 3.49Å
331	V	77.1	Confident	70.8	Confident	81 Å²	81	92.3 Å²	92.3	49%	0.491	51%	0.506	S	S	.	.	H	α-helix	trans	-66.3	-43.7	176.6	174.3	0	0	0	0	110.7	L327 I328 G333 L334 V335	L327-V331 WeakPolarHBondContact O-CB 3.44Å; L327-V331 VanDerWaalsContact O-CG2 3.22Å; L327-V331 WeakPolarHBondContact O-CG2 3.48Å; L327-V331 PolarHBondContact O-N 3.21Å; I328-V331 PolarHBondContact O-N 2.82Å; V331-G333 VanDerWaalsContact C-N 3.34Å; V331-G333 PolarHBondContact O-N 2.71Å; V331-L334 PolarHBondContact O-N 3.4Å; V331-V335 HydrophobicContact CG1-CG2 4.37Å; V331-V335 VanDerWaalsContact O-CG2 3.25Å; V331-V335 WeakPolarHBondContact O-CG2 3.44Å; V331-V335 PolarHBondContact O-N 3.2Å
332	I	79.9	Confident	72.7	Confident	97 Å²	97	90.6 Å²	90.6	50%	0.497	50%	0.503	S	S	.	.	H	α-helix	trans	-61.1	-44.1	175.8	-68.2	167.1	0	0	0	110.7	I328 P329 L334 V335 V336	I328-I332 HydrophobicContact CG2-CD1 3.6Å; I328-I332 HydrophobicContact CG2-CG1 4.41Å; I328-I332 WeakPolarHBondContact O-CB 3.33Å; I328-I332 WeakPolarHBondContact O-CD1 3.38Å; I328-I332 WeakPolarHBondContact O-CG1 3.25Å; I328-I332 PolarHBondContact O-N 2.81Å; P329-I332 PolarHBondContact O-N 3.01Å; I332-L334 PolarHBondContact O-N 3.19Å; I332-V335 PolarHBondContact O-N 2.99Å; I332-V336 HydrophobicContact CG2-CG2 4.32Å; I332-V336 VanDerWaalsContact O-CG2 3.32Å; I332-V336 WeakPolarHBondContact O-CG2 3.35Å; I332-V336 PolarHBondContact O-N 2.83Å
333	G	77.2	Confident	74	Confident	36 Å²	36	89.5 Å²	89.5	37%	0.371	50%	0.499	S	S	.	.	H	α-helix	trans	-59.3	-45.3	176.2	0	0	0	0	0	112.5	P329 S330 V331 V335 V336 V337	P329-G333 PolarHBondContact O-N 2.84Å; S330-G333 PolarHBondContact O-N 2.89Å; V331-G333 VanDerWaalsContact C-N 3.34Å; V331-G333 PolarHBondContact O-N 2.71Å; G333-V335 PolarHBondContact O-N 3.18Å; G333-V336 PolarHBondContact O-N 3.21Å; G333-V337 WeakPolarHBondContact O-CB 3.27Å; G333-V337 VanDerWaalsContact O-CG2 3.25Å; G333-V337 WeakPolarHBondContact O-CG2 3.47Å; G333-V337 PolarHBondContact O-N 3.34Å
334	L	81.5	Confident	75.5	Confident	123 Å²	123	88.9 Å²	88.9	64%	0.644	50%	0.496	S	S	*	.	H	α-helix	trans	-63.7	-39.4	175.9	-74.5	169.9	0	0	0	112.5	S330 V331 I332 G338	S330-L334 WeakPolarHBondContact O-CG 3.41Å; S330-L334 PolarHBondContact O-N 3.49Å; V331-L334 PolarHBondContact O-N 3.4Å; I332-L334 PolarHBondContact O-N 3.19Å; L334-G338 PolarHBondContact O-N 2.84Å
335	V	82.3	Confident	76.6	Confident	84 Å²	84	90.7 Å²	90.7	51%	0.509	50%	0.501	S	S	.	.	H	α-helix	trans	-66.8	-45	177.1	171.7	0	0	0	0	110.8	V331 I332 G333 V337 G338 V339	V331-V335 HydrophobicContact CG1-CG2 4.37Å; V331-V335 VanDerWaalsContact O-CG2 3.25Å; V331-V335 WeakPolarHBondContact O-CG2 3.44Å; V331-V335 PolarHBondContact O-N 3.2Å; I332-V335 PolarHBondContact O-N 2.99Å; G333-V335 PolarHBondContact O-N 3.18Å; V335-V337 PolarHBondContact O-N 3.13Å; V335-G338 PolarHBondContact O-N 2.97Å; V335-V339 HydrophobicContact CG1-CG2 4.29Å; V335-V339 VanDerWaalsContact O-CG2 3.29Å; V335-V339 WeakPolarHBondContact O-CG2 3.38Å; V335-V339 PolarHBondContact O-N 2.84Å
336	V	82.6	Confident	77.4	Confident	96 Å²	96	90.7 Å²	90.7	58%	0.582	50%	0.499	S	S	*	.	H	α-helix	trans	-62.7	-43.7	178.2	171.9	0	0	0	0	111.1	I332 G333 V339 G340	I332-V336 HydrophobicContact CG2-CG2 4.32Å; I332-V336 VanDerWaalsContact O-CG2 3.32Å; I332-V336 WeakPolarHBondContact O-CG2 3.35Å; I332-V336 PolarHBondContact O-N 2.83Å; G333-V336 PolarHBondContact O-N 3.21Å; V336-V339 PolarHBondContact O-N 2.72Å; V336-G340 PolarHBondContact O-N 3.41Å
337	V	81.8	Confident	78	Confident	80 Å²	80	91.4 Å²	91.4	49%	0.485	50%	0.499	S	S	.	.	H	α-helix	trans	-61.6	-45.7	174.5	171.3	0	0	0	0	110.4	G333 V335 V339 G340 F341	G333-V337 WeakPolarHBondContact O-CB 3.27Å; G333-V337 VanDerWaalsContact O-CG2 3.25Å; G333-V337 WeakPolarHBondContact O-CG2 3.47Å; G333-V337 PolarHBondContact O-N 3.34Å; V335-V337 PolarHBondContact O-N 3.13Å; V337-V339 PolarHBondContact O-N 3.41Å; V337-G340 PolarHBondContact O-N 2.87Å; V337-F341 HydrophobicContact CG1-CD2 3.64Å; V337-F341 HydrophobicContact CG1-CE2 3.52Å; V337-F341 WeakPolarHBondContact O-CD2 3.42Å; V337-F341 PolarHBondContact O-N 2.79Å
338	G	79.3	Confident	78.8	Confident	28 Å²	28	90.5 Å²	90.5	29%	0.289	50%	0.5	S	S	.	.	H	α-helix	trans	-59.4	-45.8	177	0	0	0	0	0	113.2	L334 V335 F341 I342	L334-G338 PolarHBondContact O-N 2.84Å; V335-G338 PolarHBondContact O-N 2.97Å; G338-F341 PolarHBondContact O-N 2.89Å; G338-I342 VanDerWaalsContact O-CG1 3.3Å; G338-I342 WeakPolarHBondContact O-CG1 3.24Å; G338-I342 PolarHBondContact O-N 2.98Å
339	V	82.7	Confident	78.9	Confident	79 Å²	79	94.2 Å²	94.2	48%	0.479	51%	0.513	S	S	.	.	H	α-helix	trans	-64.9	-42.5	176.8	174.1	0	0	0	0	110.8	V335 V336 V337 F341 I342 V343	V335-V339 HydrophobicContact CG1-CG2 4.29Å; V335-V339 VanDerWaalsContact O-CG2 3.29Å; V335-V339 WeakPolarHBondContact O-CG2 3.38Å; V335-V339 PolarHBondContact O-N 2.84Å; V336-V339 PolarHBondContact O-N 2.72Å; V337-V339 PolarHBondContact O-N 3.41Å; V339-F341 VanDerWaalsContact C-N 3.31Å; V339-F341 PolarHBondContact O-N 3.48Å; V339-I342 PolarHBondContact O-N 3.44Å; V339-V343 HydrophobicContact CG1-CG2 4.3Å; V339-V343 WeakPolarHBondContact O-CG2 3.32Å; V339-V343 PolarHBondContact O-N 3.07Å
340	G	79.6	Confident	78.8	Confident	41 Å²	41	100 Å²	100	42%	0.423	53%	0.525	S	S	.	.	H	α-helix	trans	-58.3	-42.4	174.5	0	0	0	0	0	112.5	V336 V337 V343 W344	V336-G340 PolarHBondContact O-N 3.41Å; V337-G340 PolarHBondContact O-N 2.87Å; G340-V343 PolarHBondContact O-N 3.21Å; G340-W344 VanDerWaalsContact O-CB 3.28Å; G340-W344 WeakPolarHBondContact O-CB 3.24Å; G340-W344 PolarHBondContact O-N 2.98Å
341	F	80.1	Confident	77.8	Confident	114 Å²	114	108.1 Å²	108.1	50%	0.5	56%	0.556	S	S	.	*	H	α-helix	trans	-64	-42.3	174.3	-88.5	-69	0	0	0	112.6	V337 G338 V339 W344 F345	V337-F341 HydrophobicContact CG1-CD2 3.64Å; V337-F341 HydrophobicContact CG1-CE2 3.52Å; V337-F341 WeakPolarHBondContact O-CD2 3.42Å; V337-F341 PolarHBondContact O-N 2.79Å; G338-F341 PolarHBondContact O-N 2.89Å; V339-F341 VanDerWaalsContact C-N 3.31Å; V339-F341 PolarHBondContact O-N 3.48Å; F341-W344 HydrophobicContact CD1-CE3 4.26Å; F341-W344 PolarHBondContact O-N 2.94Å; F341-F345 VanDerWaalsContact O-CB 3.24Å; F341-F345 WeakPolarHBondContact O-CB 3.29Å; F341-F345 PolarHBondContact O-N 3.27Å
342	I	82.4	Confident	77.8	Confident	113 Å²	113	109.5 Å²	109.5	58%	0.579	56%	0.559	S	S	*	*	H	α-helix	trans	-64	-46.1	178.3	-68	164.6	0	0	0	110.3	G338 V339 F345 W346	G338-I342 VanDerWaalsContact O-CG1 3.3Å; G338-I342 WeakPolarHBondContact O-CG1 3.24Å; G338-I342 PolarHBondContact O-N 2.98Å; V339-I342 PolarHBondContact O-N 3.44Å; I342-F345 PolarHBondContact O-N 2.98Å; I342-W346 WeakPolarHBondContact O-CB 3.4Å; I342-W346 PolarHBondContact O-N 2.87Å
343	V	80.8	Confident	77.7	Confident	77 Å²	77	110.2 Å²	110.2	47%	0.467	56%	0.562	S	S	.	*	H	α-helix	trans	-63.4	-44.7	178.4	174	0	0	0	0	110.8	V339 G340 W346 L347	V339-V343 HydrophobicContact CG1-CG2 4.3Å; V339-V343 WeakPolarHBondContact O-CG2 3.32Å; V339-V343 PolarHBondContact O-N 3.07Å; G340-V343 PolarHBondContact O-N 3.21Å; V343-W346 PolarHBondContact O-N 3.17Å; V343-L347 HydrophobicContact CG1-CD1 4.04Å; V343-L347 WeakPolarHBondContact O-CG 3.43Å; V343-L347 PolarHBondContact O-N 2.83Å
344	W	81.9	Confident	77.8	Confident	161 Å²	161	114.3 Å²	114.3	61%	0.61	57%	0.573	S	S	*	*	H	α-helix	trans	-62.6	-43	177	178.9	64.9	0	0	0	112.3	G340 F341 W346 L347 S348	G340-W344 VanDerWaalsContact O-CB 3.28Å; G340-W344 WeakPolarHBondContact O-CB 3.24Å; G340-W344 PolarHBondContact O-N 2.98Å; F341-W344 HydrophobicContact CD1-CE3 4.26Å; F341-W344 PolarHBondContact O-N 2.94Å; W344-W346 VanDerWaalsContact C-N 3.29Å; W344-W346 PolarHBondContact O-N 3.03Å; W344-L347 PolarHBondContact O-N 3.37Å; W344-S348 PolarHBondContact O-N 3.28Å; W344-S348 PolarHBondContact O-OG 3.21Å
345	F	79	Confident	77.5	Confident	125 Å²	125	113.8 Å²	113.8	55%	0.548	57%	0.568	S	S	.	*	H	α-helix	trans	-64.2	-34.5	175.8	-168.3	-94.2	0	0	0	112.3	F341 I342 S348 K349	F341-F345 VanDerWaalsContact O-CB 3.24Å; F341-F345 WeakPolarHBondContact O-CB 3.29Å; F341-F345 PolarHBondContact O-N 3.27Å; I342-F345 PolarHBondContact O-N 2.98Å; F345-S348 PolarHBondContact O-OG 2.84Å; F345-K349 PolarHBondContact O-N 3.49Å
346	W	78.2	Confident	77.2	Confident	169 Å²	169	115.6 Å²	115.6	64%	0.64	57%	0.572	S	S	*	*	H	α-helix	trans	-69.7	-38.6	174.8	-121.5	77.6	0	0	0	112.4	I342 V343 W344	I342-W346 WeakPolarHBondContact O-CB 3.4Å; I342-W346 PolarHBondContact O-N 2.87Å; V343-W346 PolarHBondContact O-N 3.17Å; W344-W346 VanDerWaalsContact C-N 3.29Å; W344-W346 PolarHBondContact O-N 3.03Å
347	L	77.7	Confident	76.9	Confident	108 Å²	108	116.9 Å²	116.9	57%	0.565	57%	0.572	S	S	*	*	H	α-helix	trans	-71.8	-39.7	177.7	-72.4	170.6	0	0	0	112.4	V343 W344 K349 R350	V343-L347 HydrophobicContact CG1-CD1 4.04Å; V343-L347 WeakPolarHBondContact O-CG 3.43Å; V343-L347 PolarHBondContact O-N 2.83Å; W344-L347 PolarHBondContact O-N 3.37Å; L347-K349 PolarHBondContact O-N 2.96Å; L347-R350 PolarHBondContact O-N 3.35Å; L347-R350 VanDerWaalsContact O-N 3.13Å
348	S	76.7	Confident	76.5	Confident	60 Å²	60	119.6 Å²	119.6	42%	0.42	58%	0.578	S	S	.	*	H	α-helix	trans	-67.5	-20.1	179.9	67	0	0	0	0	113.6	W344 F345	W344-S348 PolarHBondContact O-N 3.28Å; W344-S348 PolarHBondContact O-OG 3.21Å; F345-S348 PolarHBondContact O-OG 2.84Å
349	K	74	Confident	76.3	Confident	168 Å²	168	126.6 Å²	126.6	73%	0.73	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-5.7	176.4	-143.7	-178.5	-176.7	-174.8	0	113.7	F345 L347	F345-K349 PolarHBondContact O-N 3.49Å; L347-K349 PolarHBondContact O-N 2.96Å
350	R	67.5	Low	75.8	Confident	195 Å²	195	130.6 Å²	130.6	74%	0.736	61%	0.61	S	S	*	*			trans	-95.8	-10.1	178.4	-92.8	-172.1	176.1	-171.4	-1.2	114	L347	L347-R350 PolarHBondContact O-N 3.35Å; L347-R350 VanDerWaalsContact O-N 3.13Å
351	Q	51.6	Low	75.4	Confident	236 Å²	236	138.7 Å²	138.7	100%	1.103	63%	0.627	S	S	*	*			trans	-95.6	0	162	-78.8	-178.8	-37.3	0	0	108.7

Retrieved 351 of 351 residues in 237.3 ms (Link to these results)

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