G4VCT9_SCHMA Loading...

DUF5731 domain-containing protein

AlphaFold DB , UniProt , Accession G4VCT9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 267 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure 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	50.2	Low	52	Low	223 Å²	223	152.5 Å²	152.5	100%	1.099	72%	0.718	S	S	*	*				0	8.8	0	-86.6	172.5	74.6	0	0	115.8
2	K	52.2	Low	52.5	Low	193 Å²	193	149.1 Å²	149.1	84%	0.839	71%	0.707	S	S	*	*			trans	-91.5	-11.1	-178.3	-75.5	-176.9	175.2	179.3	0	116.1
3	F	46.9	Very low	53	Low	180 Å²	180	148.8 Å²	148.8	79%	0.789	70%	0.702	S	S	*	*	H	α-helix	trans	-86.6	-20.5	-173.6	-118.2	-91.1	0	0	0	114.5
4	I	51.3	Low	53.2	Low	125 Å²	125	148.2 Å²	148.2	64%	0.641	69%	0.689	S	S	*	*	H	α-helix	trans	-79.7	-35.9	-177.8	-66.9	167.8	0	0	0	110.7	L6 K7 L8	I4-L6 PolarHBondContact O-N 3.22Å; I4-K7 PolarHBondContact O-N 2.93Å; I4-L8 HydrophobicContact CG2-CD1 4.1Å; I4-L8 PolarHBondContact O-N 2.78Å
5	E	50.3	Low	54	Low	146 Å²	146	145.1 Å²	145.1	68%	0.682	68%	0.679	S	S	*	*	H	α-helix	trans	-67.2	-33.6	178	-67.3	-153.9	152.7	0	0	113.2	K7 L8 F9	E5-K7 PolarHBondContact O-N 3.38Å; E5-L8 PolarHBondContact O-N 2.89Å; E5-F9 PolarHBondContact O-N 3.14Å
6	L	47.7	Very low	54.6	Low	127 Å²	127	142.2 Å²	142.2	67%	0.665	67%	0.669	S	S	*	*	H	α-helix	trans	-68.6	-36.5	179.8	-132.4	86.7	0	0	0	112.4	I4 F9 F10	I4-L6 PolarHBondContact O-N 3.22Å; L6-F9 PolarHBondContact O-N 3.38Å; L6-F10 PolarHBondContact O-N 3.02Å
7	K	50.8	Low	55.2	Low	156 Å²	156	141.5 Å²	141.5	68%	0.678	66%	0.66	S	S	*	*	H	α-helix	trans	-69.7	-37.4	175.8	-92.2	-175	174.6	-179.3	0	112.1	I4 E5 N11	I4-K7 PolarHBondContact O-N 2.93Å; E5-K7 PolarHBondContact O-N 3.38Å; K7-N11 WeakPolarHBondContact O-CB 3.44Å; K7-N11 PolarHBondContact O-N 3.45Å; K7-N11 VanDerWaalsContact O-N 3.09Å
8	L	51.2	Low	55.8	Low	106 Å²	106	139.9 Å²	139.9	56%	0.555	65%	0.651	S	S	*	*	H	α-helix	trans	-65	-43	174.4	-86.9	153.3	0	0	0	111.3	I4 E5 N11 L12	I4-L8 HydrophobicContact CG2-CD1 4.1Å; I4-L8 PolarHBondContact O-N 2.78Å; E5-L8 PolarHBondContact O-N 2.89Å; L8-N11 PolarHBondContact O-N 3.24Å; L8-L12 WeakPolarHBondContact O-CB 3.37Å; L8-L12 PolarHBondContact O-N 3.09Å
9	F	55.2	Low	56.5	Low	165 Å²	165	137.6 Å²	137.6	72%	0.724	64%	0.643	S	S	*	*	H	α-helix	trans	-63.9	-42.4	176.8	-118.8	-90.7	0	0	0	112.8	E5 L6 L12 F13	E5-F9 PolarHBondContact O-N 3.14Å; L6-F9 PolarHBondContact O-N 3.38Å; F9-L12 PolarHBondContact O-N 3.5Å; F9-F13 WeakPolarHBondContact O-CB 3.46Å; F9-F13 PolarHBondContact O-N 3.45Å
10	F	55	Low	57	Low	152 Å²	152	138.7 Å²	138.7	67%	0.667	65%	0.645	S	S	*	*	H	α-helix	trans	-67.3	-39.7	179.6	-133.5	-92.1	0	0	0	112.2	L6 F13 W14	L6-F10 PolarHBondContact O-N 3.02Å; F10-F13 PolarHBondContact O-N 3.5Å; F10-W14 WeakPolarHBondContact O-CB 3.31Å; F10-W14 PolarHBondContact O-N 3.05Å
11	N	60.7	Low	57.4	Low	105 Å²	105	138.3 Å²	138.3	56%	0.561	64%	0.642	S	S	*	*	H	α-helix	trans	-67.7	-38.7	175.1	-86.8	-26	0	0	0	112.3	K7 L8 N15	K7-N11 WeakPolarHBondContact O-CB 3.44Å; K7-N11 PolarHBondContact O-N 3.45Å; K7-N11 VanDerWaalsContact O-N 3.09Å; L8-N11 PolarHBondContact O-N 3.24Å; N11-N15 WeakPolarHBondContact O-CB 3.33Å; N11-N15 PolarHBondContact O-N 3.44Å; N11-N15 PolarHBondContact O-ND2 3.26Å
12	L	58.7	Low	58.3	Low	111 Å²	111	132.1 Å²	132.1	58%	0.581	61%	0.612	S	S	*	*	H	α-helix	trans	-63.3	-43.9	175	-126.1	97	0	0	0	111.3	L8 F9 N15 L16	L8-L12 WeakPolarHBondContact O-CB 3.37Å; L8-L12 PolarHBondContact O-N 3.09Å; F9-L12 PolarHBondContact O-N 3.5Å; L12-N15 PolarHBondContact O-N 2.98Å; L12-L16 WeakPolarHBondContact O-CB 3.28Å; L12-L16 WeakPolarHBondContact O-CG 3.35Å; L12-L16 PolarHBondContact O-N 3.38Å
13	F	59.2	Low	59.2	Low	146 Å²	146	126.8 Å²	126.8	64%	0.64	59%	0.592	S	S	*	*	H	α-helix	trans	-67.3	-40.1	-179.5	-157.6	-91.9	0	0	0	112.1	F9 F10 L16 Y17	F9-F13 WeakPolarHBondContact O-CB 3.46Å; F9-F13 PolarHBondContact O-N 3.45Å; F10-F13 PolarHBondContact O-N 3.5Å; F13-L16 PolarHBondContact O-N 3.29Å; F13-Y17 WeakPolarHBondContact O-CB 3.44Å; F13-Y17 PolarHBondContact O-N 2.98Å
14	W	55.4	Low	60	Low	140 Å²	140	124.4 Å²	124.4	53%	0.53	58%	0.582	S	S	.	*	H	α-helix	trans	-67.4	-38.3	175.9	-159.5	-112.4	0	0	0	112.4	F10 Y17 K18	F10-W14 WeakPolarHBondContact O-CB 3.31Å; F10-W14 PolarHBondContact O-N 3.05Å; W14-Y17 PolarHBondContact O-N 3.19Å; W14-K18 PolarHBondContact O-N 2.8Å
15	N	65	Low	60.5	Low	101 Å²	101	123.2 Å²	123.2	54%	0.54	58%	0.576	S	S	.	*	H	α-helix	trans	-67	-40.3	173.9	-80.7	-23	0	0	0	112	N11 L12 Y17 K18 L19	N11-N15 WeakPolarHBondContact O-CB 3.33Å; N11-N15 PolarHBondContact O-N 3.44Å; N11-N15 PolarHBondContact O-ND2 3.26Å; L12-N15 PolarHBondContact O-N 2.98Å; N15-Y17 VanDerWaalsContact C-N 3.35Å; N15-Y17 PolarHBondContact O-N 3.28Å; N15-K18 PolarHBondContact O-N 2.83Å; N15-L19 VanDerWaalsContact O-CB 3.27Å; N15-L19 WeakPolarHBondContact O-CB 3.48Å; N15-L19 PolarHBondContact O-N 2.04Å
16	L	64.3	Low	61	Low	99 Å²	99	120.5 Å²	120.5	52%	0.518	57%	0.566	S	S	.	*	H	α-helix	trans	-65.1	-37.2	174	-76.7	164.6	0	0	0	112.4	L12 F13 L19 K20	L12-L16 WeakPolarHBondContact O-CB 3.28Å; L12-L16 WeakPolarHBondContact O-CG 3.35Å; L12-L16 PolarHBondContact O-N 3.38Å; F13-L16 PolarHBondContact O-N 3.29Å; L16-L19 PolarHBondContact O-N 3.42Å; L16-K20 PolarHBondContact O-N 2.83Å
17	Y	63.8	Low	61.9	Low	131 Å²	131	118.7 Å²	118.7	51%	0.514	56%	0.556	S	S	.	*	H	α-helix	trans	-67.8	-43.9	175.1	-174.4	-98.7	0	0	0	111.9	F13 W14 N15 K20 K21	F13-Y17 WeakPolarHBondContact O-CB 3.44Å; F13-Y17 PolarHBondContact O-N 2.98Å; W14-Y17 PolarHBondContact O-N 3.19Å; N15-Y17 VanDerWaalsContact C-N 3.35Å; N15-Y17 PolarHBondContact O-N 3.28Å; Y17-K20 PolarHBondContact O-N 2.85Å; Y17-K21 PolarHBondContact O-N 2.95Å
18	K	67.4	Low	62.2	Low	112 Å²	112	115 Å²	115	49%	0.487	54%	0.541	S	S	.	.	H	α-helix	trans	-61	-43.4	172.2	-79.4	-174.1	177.4	-177.2	0	111.5	W14 N15 K21 I22	W14-K18 PolarHBondContact O-N 2.8Å; N15-K18 PolarHBondContact O-N 2.83Å; K18-K21 PolarHBondContact O-N 2.84Å; K18-I22 WeakPolarHBondContact O-CB 3.48Å; K18-I22 VanDerWaalsContact O-CG1 3.27Å; K18-I22 WeakPolarHBondContact O-CG1 3.41Å; K18-I22 PolarHBondContact O-N 2.87Å
19	L	68.2	Low	62.4	Low	96 Å²	96	114.2 Å²	114.2	50%	0.503	54%	0.537	S	S	.	.	H	α-helix	trans	-63.1	-43	178.5	-161	79.4	0	0	0	111.2	N15 L16 K21 I22 I23	N15-L19 VanDerWaalsContact O-CB 3.27Å; N15-L19 WeakPolarHBondContact O-CB 3.48Å; N15-L19 PolarHBondContact O-N 2.04Å; L16-L19 PolarHBondContact O-N 3.42Å; L19-K21 VanDerWaalsContact C-N 3.33Å; L19-K21 PolarHBondContact O-N 2.04Å; L19-I22 PolarHBondContact O-N 3.23Å; L19-I23 HydrophobicContact CD2-CD1 4.22Å; L19-I23 HydrophobicContact CG-CD1 3.96Å; L19-I23 WeakPolarHBondContact O-CB 3.35Å; L19-I23 WeakPolarHBondContact O-CG1 3.31Å; L19-I23 PolarHBondContact O-N 3.43Å
20	K	67.5	Low	62.5	Low	160 Å²	160	111.3 Å²	111.3	70%	0.696	53%	0.527	S	S	*	.	H	α-helix	trans	-60.9	-40.3	172.9	-84.4	-171.6	173.2	-176.8	0	112.5	L16 Y17 I23 F24	L16-K20 PolarHBondContact O-N 2.83Å; Y17-K20 PolarHBondContact O-N 2.85Å; K20-I23 PolarHBondContact O-N 2.84Å; K20-F24 VanDerWaalsContact O-CB 3.27Å; K20-F24 WeakPolarHBondContact O-CB 3.06Å; K20-F24 PolarHBondContact O-N 2.83Å
21	K	64.9	Low	62.4	Low	131 Å²	131	109.1 Å²	109.1	57%	0.57	52%	0.522	S	S	*	.	H	α-helix	trans	-67.9	-39	178.3	-150.7	177.5	-176.4	-176.1	0	111.6	Y17 K18 L19 L25	Y17-K21 PolarHBondContact O-N 2.95Å; K18-K21 PolarHBondContact O-N 2.84Å; L19-K21 VanDerWaalsContact C-N 3.33Å; L19-K21 PolarHBondContact O-N 2.04Å; K21-L25 WeakPolarHBondContact O-CB 3.34Å; K21-L25 WeakPolarHBondContact O-CD1 3.06Å; K21-L25 WeakPolarHBondContact O-CG 3.41Å; K21-L25 PolarHBondContact O-N 3.45Å
22	I	69.3	Low	61.8	Low	92 Å²	92	108.1 Å²	108.1	47%	0.472	51%	0.513	S	S	.	.	H	α-helix	trans	-68.4	-43.1	175.1	-68.3	164.8	0	0	0	110.9	K18 L19 L25 L26	K18-I22 WeakPolarHBondContact O-CB 3.48Å; K18-I22 VanDerWaalsContact O-CG1 3.27Å; K18-I22 WeakPolarHBondContact O-CG1 3.41Å; K18-I22 PolarHBondContact O-N 2.87Å; L19-I22 PolarHBondContact O-N 3.23Å; I22-L25 PolarHBondContact O-N 2.86Å; I22-L26 HydrophobicContact CG2-CD1 3.71Å; I22-L26 HydrophobicContact CG2-CG 4.39Å; I22-L26 VanDerWaalsContact O-CB 3.32Å; I22-L26 WeakPolarHBondContact O-CB 3.47Å; I22-L26 WeakPolarHBondContact O-CG 3.05Å; I22-L26 PolarHBondContact O-N 3.42Å
23	I	70.5	Confident	61.2	Low	81 Å²	81	106.8 Å²	106.8	42%	0.415	51%	0.506	S	S	.	.	H	α-helix	trans	-63.5	-42.1	175.3	-70.1	164.6	0	0	0	110.4	L19 K20 L26 I27	L19-I23 HydrophobicContact CD2-CD1 4.22Å; L19-I23 HydrophobicContact CG-CD1 3.96Å; L19-I23 WeakPolarHBondContact O-CB 3.35Å; L19-I23 WeakPolarHBondContact O-CG1 3.31Å; L19-I23 PolarHBondContact O-N 3.43Å; K20-I23 PolarHBondContact O-N 2.84Å; I23-L26 PolarHBondContact O-N 3.07Å; I23-I27 HydrophobicContact CG2-CD1 3.64Å; I23-I27 HydrophobicContact CG2-CG1 4.27Å; I23-I27 WeakPolarHBondContact O-CB 3.37Å; I23-I27 VanDerWaalsContact O-CG1 3.22Å; I23-I27 WeakPolarHBondContact O-CG1 3.25Å; I23-I27 PolarHBondContact O-N 2.88Å
24	F	63.1	Low	60.5	Low	131 Å²	131	105.8 Å²	105.8	58%	0.575	51%	0.508	S	S	*	.	H	α-helix	trans	-64.8	-40.7	176.8	-166.1	-96.2	0	0	0	111.9	K20 H28	K20-F24 VanDerWaalsContact O-CB 3.27Å; K20-F24 WeakPolarHBondContact O-CB 3.06Å; K20-F24 PolarHBondContact O-N 2.83Å; F24-H28 AromaticContact CD1-CD2 3.64Å; F24-H28 AromaticContact CE1-CD2 3.31Å; F24-H28 WeakPolarHBondContact CE1-CD2 3.09Å; F24-H28 AromaticContact CE1-NE2 3.27Å; F24-H28 VanDerWaalsContact CE1-NE2 3.27Å; F24-H28 WeakPolarHBondContact CE1-NE2 3.47Å; F24-H28 AromaticContact CZ-CD2 3.82Å; F24-H28 AromaticContact CZ-NE2 3.37Å; F24-H28 WeakPolarHBondContact CZ-NE2 3.19Å; F24-H28 WeakPolarHBondContact O-CB 3.36Å; F24-H28 PolarHBondContact O-CD2 3.01Å; F24-H28 PolarHBondContact O-N 2.86Å
25	L	61.4	Low	59.8	Low	99 Å²	99	103.3 Å²	103.3	52%	0.518	50%	0.502	S	S	.	.	H	α-helix	trans	-65.7	-40.9	172.9	-82	160.7	0	0	0	112.3	K21 I22 H28 L29	K21-L25 WeakPolarHBondContact O-CB 3.34Å; K21-L25 WeakPolarHBondContact O-CD1 3.06Å; K21-L25 WeakPolarHBondContact O-CG 3.41Å; K21-L25 PolarHBondContact O-N 3.45Å; I22-L25 PolarHBondContact O-N 2.86Å; L25-H28 PolarHBondContact O-N 2.94Å; L25-L29 WeakPolarHBondContact O-CB 3.43Å; L25-L29 PolarHBondContact O-N 3.06Å
26	L	62.6	Low	58.7	Low	90 Å²	90	105.9 Å²	105.9	47%	0.471	51%	0.511	S	S	.	.	H	α-helix	trans	-67.8	-40.9	176.6	-82.3	163.4	0	0	0	111.9	I22 I23 H28 L29 I30	I22-L26 HydrophobicContact CG2-CD1 3.71Å; I22-L26 HydrophobicContact CG2-CG 4.39Å; I22-L26 VanDerWaalsContact O-CB 3.32Å; I22-L26 WeakPolarHBondContact O-CB 3.47Å; I22-L26 WeakPolarHBondContact O-CG 3.05Å; I22-L26 PolarHBondContact O-N 3.42Å; I23-L26 PolarHBondContact O-N 3.07Å; L26-H28 VanDerWaalsContact C-N 3.32Å; L26-L29 PolarHBondContact O-N 3.47Å; L26-I30 WeakPolarHBondContact O-CB 3.48Å; L26-I30 WeakPolarHBondContact O-CD1 3.45Å; L26-I30 WeakPolarHBondContact O-CG1 3.08Å; L26-I30 PolarHBondContact O-N 3.11Å
27	I	65.6	Low	57.4	Low	88 Å²	88	108.4 Å²	108.4	45%	0.451	52%	0.523	S	S	.	.	H	α-helix	trans	-63.4	-42	174.3	-69.9	166.7	0	0	0	109.7	I23 I30 L31	I23-I27 HydrophobicContact CG2-CD1 3.64Å; I23-I27 HydrophobicContact CG2-CG1 4.27Å; I23-I27 WeakPolarHBondContact O-CB 3.37Å; I23-I27 VanDerWaalsContact O-CG1 3.22Å; I23-I27 WeakPolarHBondContact O-CG1 3.25Å; I23-I27 PolarHBondContact O-N 2.88Å; I27-I30 PolarHBondContact O-N 3.24Å; I27-L31 HydrophobicContact CG2-CD1 3.81Å; I27-L31 HydrophobicContact CG2-CG 4.44Å; I27-L31 WeakPolarHBondContact O-CB 3.36Å; I27-L31 WeakPolarHBondContact O-CD1 3Å; I27-L31 WeakPolarHBondContact O-CG 3.38Å; I27-L31 PolarHBondContact O-N 2.82Å
28	H	57.6	Low	56	Low	80 Å²	80	106 Å²	106	37%	0.37	52%	0.519	S	S	.	.	H	α-helix	trans	-63.6	-46.6	172.5	-88.6	-59.6	0	0	0	112.1	F24 L25 L26 I30 L31 F32	F24-H28 AromaticContact CD1-CD2 3.64Å; F24-H28 AromaticContact CE1-CD2 3.31Å; F24-H28 WeakPolarHBondContact CE1-CD2 3.09Å; F24-H28 AromaticContact CE1-NE2 3.27Å; F24-H28 VanDerWaalsContact CE1-NE2 3.27Å; F24-H28 WeakPolarHBondContact CE1-NE2 3.47Å; F24-H28 AromaticContact CZ-CD2 3.82Å; F24-H28 AromaticContact CZ-NE2 3.37Å; F24-H28 WeakPolarHBondContact CZ-NE2 3.19Å; F24-H28 WeakPolarHBondContact O-CB 3.36Å; F24-H28 PolarHBondContact O-CD2 3.01Å; F24-H28 PolarHBondContact O-N 2.86Å; L25-H28 PolarHBondContact O-N 2.94Å; L26-H28 VanDerWaalsContact C-N 3.32Å; H28-I30 VanDerWaalsContact C-N 3.33Å; H28-I30 PolarHBondContact O-N 3.13Å; H28-L31 PolarHBondContact O-N 2.97Å; H28-F32 WeakPolarHBondContact O-CB 3.42Å; H28-F32 VanDerWaalsContact O-CD2 3.22Å; H28-F32 WeakPolarHBondContact O-CD2 3.14Å; H28-F32 PolarHBondContact O-N 3.39Å
29	L	55.7	Low	54.2	Low	89 Å²	89	103.9 Å²	103.9	47%	0.466	53%	0.528	S	S	.	.	H	α-helix	trans	-61.9	-36.1	176.7	-101.6	138.3	0	0	0	113.1	L25 L26 F32 N33	L25-L29 WeakPolarHBondContact O-CB 3.43Å; L25-L29 PolarHBondContact O-N 3.06Å; L26-L29 PolarHBondContact O-N 3.47Å; L29-F32 PolarHBondContact O-N 2.98Å; L29-N33 WeakPolarHBondContact O-CB 3.45Å; L29-N33 VanDerWaalsContact O-CG 3.3Å; L29-N33 PolarHBondContact O-N 2.99Å
30	I	56.5	Low	52.4	Low	103 Å²	103	104.6 Å²	104.6	53%	0.528	54%	0.542	S	S	.	.	H	α-helix	trans	-73.5	-37.6	176.9	-68.9	164.3	0	0	0	110.7	L26 I27 H28 F32 N34	L26-I30 WeakPolarHBondContact O-CB 3.48Å; L26-I30 WeakPolarHBondContact O-CD1 3.45Å; L26-I30 WeakPolarHBondContact O-CG1 3.08Å; L26-I30 PolarHBondContact O-N 3.11Å; I27-I30 PolarHBondContact O-N 3.24Å; H28-I30 VanDerWaalsContact C-N 3.33Å; H28-I30 PolarHBondContact O-N 3.13Å; I30-F32 VanDerWaalsContact C-N 3.3Å; I30-N34 PolarHBondContact O-N 3.39Å
31	L	51.9	Low	50.6	Low	107 Å²	107	100.6 Å²	100.6	56%	0.56	55%	0.545	S	S	*	.	H	α-helix	trans	-67.2	-32.5	173.1	-72.1	167.9	0	0	0	111.8	I27 H28	I27-L31 HydrophobicContact CG2-CD1 3.81Å; I27-L31 HydrophobicContact CG2-CG 4.44Å; I27-L31 WeakPolarHBondContact O-CB 3.36Å; I27-L31 WeakPolarHBondContact O-CD1 3Å; I27-L31 WeakPolarHBondContact O-CG 3.38Å; I27-L31 PolarHBondContact O-N 2.82Å; H28-L31 PolarHBondContact O-N 2.97Å
32	F	48.9	Very low	49	Very low	84 Å²	84	101.8 Å²	101.8	37%	0.368	55%	0.547	S	S	.	.	H	α-helix	trans	-87	-36.3	179.9	-87.9	-75.9	0	0	0	114.2	H28 L29 I30 N34 E35 E36 F71	H28-F32 WeakPolarHBondContact O-CB 3.42Å; H28-F32 VanDerWaalsContact O-CD2 3.22Å; H28-F32 WeakPolarHBondContact O-CD2 3.14Å; H28-F32 PolarHBondContact O-N 3.39Å; L29-F32 PolarHBondContact O-N 2.98Å; I30-F32 VanDerWaalsContact C-N 3.3Å; F32-N34 VanDerWaalsContact C-N 3.26Å; F32-N34 PolarHBondContact O-N 3.43Å; F32-E35 WeakPolarHBondContact O-CB 3.15Å; F32-E35 PolarHBondContact O-N 3.45Å; F32-E36 PolarHBondContact O-N 3.34Å; F32-F71 HydrophobicContact CZ-CE1 4.29Å
33	N	46.1	Very low	47.2	Very low	82 Å²	82	102.5 Å²	102.5	44%	0.439	55%	0.552	S	S	.	*	H	α-helix	trans	-72.4	-18.8	178.7	-78.5	-3.3	0	0	0	113.1	L29	L29-N33 WeakPolarHBondContact O-CB 3.45Å; L29-N33 VanDerWaalsContact O-CG 3.3Å; L29-N33 PolarHBondContact O-N 2.99Å
34	N	43.7	Very low	45.4	Very low	125 Å²	125	103.4 Å²	103.4	67%	0.668	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-12.3	167.3	-85.7	-26.5	0	0	0	112.9	I30 F32	I30-N34 PolarHBondContact O-N 3.39Å; F32-N34 VanDerWaalsContact C-N 3.26Å; F32-N34 PolarHBondContact O-N 3.43Å
35	E	42.6	Very low	43.9	Very low	89 Å²	89	101.2 Å²	101.2	42%	0.416	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.1	-23.3	175.6	-66.6	-175.7	158.1	0	0	112.7	F32 I37 L38 I44	F32-E35 WeakPolarHBondContact O-CB 3.15Å; F32-E35 PolarHBondContact O-N 3.45Å; E35-I37 PolarHBondContact O-N 2.98Å; E35-L38 PolarHBondContact O-N 3.46Å; E35-I44 HydrophobicContact CG-CD1 4.5Å; E35-I44 VanDerWaalsContact OE1-CD1 3.27Å; E35-I44 WeakPolarHBondContact OE1-CD1 3.33Å
36	E	40.3	Very low	42.6	Very low	155 Å²	155	101.9 Å²	101.9	72%	0.724	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-10.1	-176.8	-77.6	-168	157	0	0	115.7	F32 L38	F32-E36 PolarHBondContact O-N 3.34Å; E36-L38 PolarHBondContact O-N 2.79Å
37	I	37.5	Very low	41.2	Very low	151 Å²	151	106.8 Å²	106.8	77%	0.774	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-6.4	171.6	-61	176.5	0	0	0	111.6	E35 G39	E35-I37 PolarHBondContact O-N 2.98Å; I37-G39 PolarHBondContact O-N 2.84Å
38	L	34.5	Very low	40.1	Very low	82 Å²	82	106 Å²	106	43%	0.429	57%	0.571	S	S	.	*			trans	-103.9	56.2	177.6	-66.6	166.3	0	0	0	111.2	E35 E36 S40 Y42	E35-L38 PolarHBondContact O-N 3.46Å; E36-L38 PolarHBondContact O-N 2.79Å; L38-S40 PolarHBondContact O-N 3.41Å; L38-Y42 HydrophobicContact CB-CD2 3.62Å; L38-Y42 HydrophobicContact CB-CE2 4.25Å; L38-Y42 HydrophobicContact CB-CG 3.84Å; L38-Y42 HydrophobicContact CD1-CD1 4.04Å; L38-Y42 HydrophobicContact CD1-CD2 4.44Å; L38-Y42 HydrophobicContact CD1-CG 3.98Å; L38-Y42 HydrophobicContact CD2-CD1 3.94Å; L38-Y42 HydrophobicContact CD2-CD2 3.56Å; L38-Y42 HydrophobicContact CD2-CE1 3.75Å; L38-Y42 HydrophobicContact CD2-CE2 3.36Å; L38-Y42 HydrophobicContact CD2-CG 3.84Å; L38-Y42 VanDerWaalsContact CD2-CZ 3.45Å; L38-Y42 HydrophobicContact CG-CD1 4.44Å; L38-Y42 HydrophobicContact CG-CD2 4.04Å; L38-Y42 HydrophobicContact CG-CE2 4.33Å; L38-Y42 HydrophobicContact CG-CG 4.09Å
39	G	28.7	Very low	39.2	Very low	66 Å²	66	108.7 Å²	108.7	68%	0.68	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	132.1	159.3	0	0	0	0	0	109.7	I37	I37-G39 PolarHBondContact O-N 2.84Å
40	S	30.8	Very low	38.7	Very low	112 Å²	112	106.5 Å²	106.5	78%	0.783	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	79	97.3	-176.6	-161.6	0	0	0	0	115.3	L38 Y42	L38-S40 PolarHBondContact O-N 3.41Å; S40-Y42 VanDerWaalsContact O-CD2 3.25Å; S40-Y42 WeakPolarHBondContact O-CD2 3.41Å
41	G	30.5	Very low	38.3	Very low	75 Å²	75	103.8 Å²	103.8	77%	0.773	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	84.9	16.6	148	0	0	0	0	0	119.6	N43	G41-N43 PolarHBondContact O-N 2.83Å
42	Y	31.1	Very low	38.1	Very low	156 Å²	156	106.7 Å²	106.7	61%	0.612	57%	0.569	S	S	*	*			trans	-88.5	106.1	-176.3	-80.9	-92.9	0	0	0	114.3	L38 S40 I44	L38-Y42 HydrophobicContact CB-CD2 3.62Å; L38-Y42 HydrophobicContact CB-CE2 4.25Å; L38-Y42 HydrophobicContact CB-CG 3.84Å; L38-Y42 HydrophobicContact CD1-CD1 4.04Å; L38-Y42 HydrophobicContact CD1-CD2 4.44Å; L38-Y42 HydrophobicContact CD1-CG 3.98Å; L38-Y42 HydrophobicContact CD2-CD1 3.94Å; L38-Y42 HydrophobicContact CD2-CD2 3.56Å; L38-Y42 HydrophobicContact CD2-CE1 3.75Å; L38-Y42 HydrophobicContact CD2-CE2 3.36Å; L38-Y42 HydrophobicContact CD2-CG 3.84Å; L38-Y42 VanDerWaalsContact CD2-CZ 3.45Å; L38-Y42 HydrophobicContact CG-CD1 4.44Å; L38-Y42 HydrophobicContact CG-CD2 4.04Å; L38-Y42 HydrophobicContact CG-CE2 4.33Å; L38-Y42 HydrophobicContact CG-CG 4.09Å; S40-Y42 VanDerWaalsContact O-CD2 3.25Å; S40-Y42 WeakPolarHBondContact O-CD2 3.41Å; Y42-I44 PolarHBondContact O-N 2.94Å; Y42-I44 VanDerWaalsContact O-N 3.08Å
43	N	30.7	Very low	37.8	Very low	107 Å²	107	108.6 Å²	108.6	57%	0.572	59%	0.593	S	S	*	*			trans	-55.7	104.9	158.4	-79.1	-66.2	0	0	0	109.2	G41 S45 R86	G41-N43 PolarHBondContact O-N 2.83Å; N43-S45 VanDerWaalsContact C-N 3.25Å; N43-S45 PolarHBondContact O-N 2.79Å; N43-R86 PolarHBondContact OD1-NE 3.4Å
44	I	34.3	Very low	37.8	Very low	100 Å²	100	114.8 Å²	114.8	51%	0.513	61%	0.61	S	S	.	*			trans	-69.7	92	161.6	-63.2	162.2	0	0	0	106.9	E35 Y42 L46	E35-I44 HydrophobicContact CG-CD1 4.5Å; E35-I44 VanDerWaalsContact OE1-CD1 3.27Å; E35-I44 WeakPolarHBondContact OE1-CD1 3.33Å; Y42-I44 PolarHBondContact O-N 2.94Å; Y42-I44 VanDerWaalsContact O-N 3.08Å; I44-L46 HydrophobicContact CG2-CD1 4.28Å; I44-L46 HydrophobicContact CG2-CG 4.05Å; I44-L46 PolarHBondContact O-N 3.06Å
45	S	31	Very low	38.3	Very low	86 Å²	86	111.1 Å²	111.1	60%	0.601	59%	0.587	S	S	*	*			trans	-72.8	75.8	166.9	172.7	0	0	0	0	108.7	N43 K47	N43-S45 VanDerWaalsContact C-N 3.25Å; N43-S45 PolarHBondContact O-N 2.79Å; S45-K47 PolarHBondContact O-N 3.19Å; S45-K47 VanDerWaalsContact O-N 3.16Å
46	L	34.7	Very low	38.8	Very low	113 Å²	113	119 Å²	119	59%	0.592	61%	0.613	S	S	*	*			trans	-55.4	118.6	160	-90	152.4	0	0	0	107.3	I44 Y48	I44-L46 HydrophobicContact CG2-CD1 4.28Å; I44-L46 HydrophobicContact CG2-CG 4.05Å; I44-L46 PolarHBondContact O-N 3.06Å; L46-Y48 PolarHBondContact O-N 2.04Å
47	K	33	Very low	40.2	Very low	193 Å²	193	122.4 Å²	122.4	84%	0.839	62%	0.619	S	S	*	*			trans	-42.7	115.2	-179.9	-90.5	-179.8	173.6	177.1	0	110.5	S45 N49	S45-K47 PolarHBondContact O-N 3.19Å; S45-K47 VanDerWaalsContact O-N 3.16Å; K47-N49 PolarHBondContact O-N 3.45Å
48	Y	41.9	Very low	42.2	Very low	70 Å²	70	115.9 Å²	115.9	28%	0.275	59%	0.586	S	S	.	*			trans	-69	89.4	179	-70.2	-96.4	0	0	0	110.3	L46 H50 R86 R87 I89	L46-Y48 PolarHBondContact O-N 2.04Å; Y48-H50 PolarHBondContact O-N 2.8Å; Y48-H50 VanDerWaalsContact O-N 3.07Å; Y48-R86 WeakPolarHBondContact OH-CB 3.35Å; Y48-R87 WeakPolarHBondContact CD1-O 3.45Å; Y48-R87 WeakPolarHBondContact CE1-O 3.43Å; Y48-I89 HydrophobicContact CE1-CG1 4.21Å; Y48-I89 HydrophobicContact CE2-CD1 4.07Å; Y48-I89 HydrophobicContact CE2-CG1 4.12Å
49	N	38.9	Very low	44.7	Very low	137 Å²	137	115.6 Å²	115.6	73%	0.733	59%	0.585	S	S	*	*			trans	-81.8	78.2	160.9	-73.6	-24.8	0	0	0	107.9	K47 P51	K47-N49 PolarHBondContact O-N 3.45Å; N49-P51 WeakPolarHBondContact O-CD 3.36Å
50	H	45.9	Very low	47.6	Very low	44 Å²	44	113.7 Å²	113.7	20%	0.204	56%	0.56	C	S	.	*			trans	-67.4	119	170.1	-166.1	-64.8	0	0	0	107.5	Y48 Y52 H88	Y48-H50 PolarHBondContact O-N 2.8Å; Y48-H50 VanDerWaalsContact O-N 3.07Å; H50-Y52 HydrophobicContact CB-CD2 3.51Å; H50-Y52 HydrophobicContact CB-CE2 3.49Å; H50-Y52 VanDerWaalsContact CB-CE2 3.49Å; H50-Y52 AromaticContact CD2-CE2 3.62Å; H50-Y52 AromaticContact CD2-CZ 3.88Å; H50-Y52 AromaticContact CE1-CD1 3.92Å; H50-Y52 AromaticContact CE1-CD2 3.9Å; H50-Y52 AromaticContact CE1-CE1 3.7Å; H50-Y52 AromaticContact CE1-CE2 3.69Å; H50-Y52 AromaticContact CE1-CZ 3.57Å; H50-Y52 AromaticContact CG-CD2 3.36Å; H50-Y52 AromaticContact CG-CE2 3.13Å; H50-Y52 AromaticContact CG-CZ 3.78Å; H50-Y52 AromaticContact ND1-CD1 3.81Å; H50-Y52 AromaticContact ND1-CD2 3.1Å; H50-Y52 WeakPolarHBondContact ND1-CD2 3.35Å; H50-Y52 AromaticContact ND1-CE1 3.89Å; H50-Y52 AromaticContact ND1-CE2 3.21Å; H50-Y52 WeakPolarHBondContact ND1-CE2 3Å; H50-Y52 AromaticContact ND1-CG 3.42Å; H50-Y52 AromaticContact ND1-CZ 3.6Å; H50-Y52 AromaticContact NE2-CE2 3.95Å; H50-Y52 AromaticContact NE2-CZ 3.77Å; H50-Y52 PolarHBondContact O-N 2.94Å; H50-H88 AromaticContact CD2-ND1 3.55Å; H50-H88 AromaticContact NE2-ND1 3.98Å
51	P	46.9	Very low	50.6	Low	45 Å²	45	108.4 Å²	108.4	29%	0.292	52%	0.523	S	S	.	.			trans	-79.3	99.7	178	38.1	-35.3	0	0	0	104.9	N49 W55	N49-P51 WeakPolarHBondContact O-CD 3.36Å; P51-W55 VanDerWaalsContact C-CD1 3.48Å; P51-W55 HydrophobicContact CG-CG 4.31Å
52	Y	47.4	Very low	53.6	Low	169 Å²	169	104.8 Å²	104.8	66%	0.663	49%	0.486	S	S	*	.			trans	-91.1	-13.9	-171.6	-102.2	-72.9	0	0	0	114.2	H50	H50-Y52 HydrophobicContact CB-CD2 3.51Å; H50-Y52 HydrophobicContact CB-CE2 3.49Å; H50-Y52 VanDerWaalsContact CB-CE2 3.49Å; H50-Y52 AromaticContact CD2-CE2 3.62Å; H50-Y52 AromaticContact CD2-CZ 3.88Å; H50-Y52 AromaticContact CE1-CD1 3.92Å; H50-Y52 AromaticContact CE1-CD2 3.9Å; H50-Y52 AromaticContact CE1-CE1 3.7Å; H50-Y52 AromaticContact CE1-CE2 3.69Å; H50-Y52 AromaticContact CE1-CZ 3.57Å; H50-Y52 AromaticContact CG-CD2 3.36Å; H50-Y52 AromaticContact CG-CE2 3.13Å; H50-Y52 AromaticContact CG-CZ 3.78Å; H50-Y52 AromaticContact ND1-CD1 3.81Å; H50-Y52 AromaticContact ND1-CD2 3.1Å; H50-Y52 WeakPolarHBondContact ND1-CD2 3.35Å; H50-Y52 AromaticContact ND1-CE1 3.89Å; H50-Y52 AromaticContact ND1-CE2 3.21Å; H50-Y52 WeakPolarHBondContact ND1-CE2 3Å; H50-Y52 AromaticContact ND1-CG 3.42Å; H50-Y52 AromaticContact ND1-CZ 3.6Å; H50-Y52 AromaticContact NE2-CE2 3.95Å; H50-Y52 AromaticContact NE2-CZ 3.77Å; H50-Y52 PolarHBondContact O-N 2.94Å
53	S	44.1	Very low	56.5	Low	123 Å²	123	97.4 Å²	97.4	86%	0.86	46%	0.457	S	S	*	.	S	Bend	trans	-97.5	-15.5	-169	58.4	0	0	0	0	116.2
54	R	44.7	Very low	59.4	Low	213 Å²	213	93 Å²	93	80%	0.804	43%	0.433	S	S	*	.	S	Bend	trans	-116.5	4.8	-173.2	-128.2	177.9	-153.9	162	6.9	116
55	W	54.7	Low	62.1	Low	47 Å²	47	88.3 Å²	88.3	18%	0.178	41%	0.408	C	S	.	.			trans	-126.7	27.6	-153.1	-53.3	91.8	0	0	0	115.6	P51 R57 S58 I154 M159	P51-W55 VanDerWaalsContact C-CD1 3.48Å; P51-W55 HydrophobicContact CG-CG 4.31Å; W55-R57 PolarHBondContact O-N 3.32Å; W55-S58 PolarHBondContact O-N 3.46Å; W55-I154 HydrophobicContact CE3-CD1 3.88Å; W55-I154 HydrophobicContact CH2-CD1 2.95Å; W55-I154 HydrophobicContact CH2-CG1 4.18Å; W55-I154 HydrophobicContact CH2-CG2 4.05Å; W55-I154 HydrophobicContact CZ2-CD1 3.92Å; W55-I154 HydrophobicContact CZ2-CG2 4.17Å; W55-I154 HydrophobicContact CZ3-CD1 2.92Å; W55-I154 HydrophobicContact CZ3-CG1 4.38Å; W55-M159 HydrophobicContact CD2-CE 4.17Å; W55-M159 HydrophobicContact CE3-CE 3.57Å; W55-M159 HydrophobicContact CH2-CE 4.48Å; W55-M159 HydrophobicContact CZ3-CE 3.8Å
56	R	54	Low	64.8	Low	256 Å²	256	85 Å²	85	97%	0.966	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-8.3	-174	-70.6	-167.9	-174.3	-174.7	2.7	115.9
57	R	68.2	Low	67.3	Low	226 Å²	226	84.2 Å²	84.2	85%	0.853	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.7	-28	-175.7	-67.1	-172.6	-180	174.3	0	115.1	W55	W55-R57 PolarHBondContact O-N 3.32Å
58	S	79.8	Confident	69.3	Low	13 Å²	13	77 Å²	77	9%	0.091	35%	0.353	C	S	.	.	S	Bend	trans	-87.7	136.3	-176.7	-40.3	0	0	0	0	110.6	W55 V160 D161	W55-S58 PolarHBondContact O-N 3.46Å; S58-V160 CarbonylContact C-O 3.54Å; S58-V160 VanDerWaalsContact CA-O 3.27Å; S58-V160 WeakPolarHBondContact CA-O 3.27Å; S58-D161 PolarHBondContact OG-OD1 3.4Å
59	L	87.3	Confident	70.5	Confident	76 Å²	76	73.7 Å²	73.7	40%	0.398	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-81.9	124.8	175.7	-55	173.3	0	0	0	109.9	F128 I132 V160 I163	L59-F128 HydrophobicContact CB-CD1 4.08Å; L59-F128 HydrophobicContact CB-CE1 3.92Å; L59-I132 HydrophobicContact CD1-CB 4.28Å; L59-I132 HydrophobicContact CD1-CG2 3.96Å; L59-V160 HydrophobicContact CB-CB 4.22Å; L59-V160 PolarHBondContact N-O 2.93Å; L59-V160 PolarHBondContact O-N 3.29Å; L59-I163 HydrophobicContact CD1-CD1 4.24Å
60	T	89.6	Confident	71.5	Confident	27 Å²	27	71.9 Å²	71.9	17%	0.166	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-89.2	126.9	177	-54.3	0	0	0	0	110.1	H88 W157	T60-H88 HydrophobicContact CG2-CB 4.42Å; T60-W157 HydrophobicContact CG2-CE3 4.09Å; T60-W157 HydrophobicContact CG2-CZ3 3.66Å
61	P	93.1	Very high	72	Confident	0 Å²	0	74 Å²	74	0%	0	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-68.5	145.4	174.1	29.9	-35.8	0	0	0	111	W64 R87 A126 H127 F128 L158	P61-W64 HydrophobicContact CB-CZ2 4.11Å; P61-W64 HydrophobicContact CG-CD2 4.4Å; P61-W64 VanDerWaalsContact CG-CE2 3.46Å; P61-W64 HydrophobicContact CG-CZ2 3.54Å; P61-W64 VanDerWaalsContact CG-NE1 3.34Å; P61-R87 WeakPolarHBondContact O-CB 3.28Å; P61-A126 HydrophobicContact CB-CB 4.26Å; P61-H127 CarbonylContact C-O 3.5Å; P61-H127 WeakPolarHBondContact CA-O 3.46Å; P61-H127 WeakPolarHBondContact CB-O 3.38Å; P61-F128 HydrophobicContact CB-CE1 4.07Å; P61-F128 HydrophobicContact CB-CZ 4.3Å; P61-L158 WeakPolarHBondContact CD-O 3.43Å; P61-L158 WeakPolarHBondContact CG-O 3.44Å
62	C	93.8	Very high	72.3	Confident	0 Å²	0	73 Å²	73	0%	0	33%	0.327	C	S	.	.	S	Bend	trans	-84.8	-29.1	175.1	72.2	0	0	0	0	112.6	R87 H88 C96 H127	C62-R87 PolarHBondContact O-N 3.49Å; C62-H88 PolarHBondContact O-N 2.7Å; C62-C96 HydrophobicContact CB-CB 3.79Å; C62-C96 WeakPolarHBondContact CB-SG 3.18Å; C62-C96 WeakPolarHBondContact SG-CB 3.2Å; C62-C96 CovalentContact SG-SG 2.03Å; C62-C96 PolarHBondContact SG-SG 3.47Å; C62-H127 PolarHBondContact N-O 2.81Å; C62-H127 PolarHBondContact SG-O 2.95Å
63	V	92.9	Very high	72.6	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	147.7	170.9	63.4	0	0	0	0	109.7	L65 A84 Q85 C96 P97 L98 H127	V63-L65 HydrophobicContact CG1-CD1 3.59Å; V63-L65 HydrophobicContact CG1-CG 4.47Å; V63-L65 HydrophobicContact CG2-CD1 4.24Å; V63-L65 HydrophobicContact CG2-CG 4.36Å; V63-A84 HydrophobicContact CG2-CB 4.06Å; V63-Q85 WeakPolarHBondContact CA-O 3.49Å; V63-Q85 WeakPolarHBondContact CG2-O 3.35Å; V63-C96 VanDerWaalsContact CG1-SG 3.51Å; V63-P97 WeakPolarHBondContact CG1-O 2.98Å; V63-L98 HydrophobicContact CB-CD2 4.02Å; V63-L98 HydrophobicContact CG1-CD2 4.2Å; V63-L98 HydrophobicContact CG2-CD2 3.67Å; V63-H127 HydrophobicContact CG1-CB 3.58Å; V63-H127 WeakPolarHBondContact CG1-ND1 3.37Å; V63-H127 PolarHBondContact O-N 2.87Å
64	W	91.1	Very high	73.1	Confident	16 Å²	16	67.5 Å²	67.5	6%	0.061	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	127.2	163.4	-77.9	118.9	0	0	0	109.8	P61 A84 Q85 R87 F111 A126 L158	P61-W64 HydrophobicContact CB-CZ2 4.11Å; P61-W64 HydrophobicContact CG-CD2 4.4Å; P61-W64 VanDerWaalsContact CG-CE2 3.46Å; P61-W64 HydrophobicContact CG-CZ2 3.54Å; P61-W64 VanDerWaalsContact CG-NE1 3.34Å; W64-A84 CarbonylContact O-C 3.45Å; W64-A84 WeakPolarHBondContact O-CA 3.5Å; W64-Q85 PolarHBondContact N-O 3.1Å; W64-Q85 PolarHBondContact O-N 3.17Å; W64-R87 HydrophobicContact CG-CG 4.26Å; W64-F111 HydrophobicContact CE3-CZ 4.37Å; W64-F111 AromaticContact CH2-CE1 3.61Å; W64-F111 HydrophobicContact CH2-CE1 3.61Å; W64-F111 AromaticContact CH2-CZ 3.45Å; W64-F111 HydrophobicContact CH2-CZ 3.45Å; W64-F111 VanDerWaalsContact CH2-CZ 3.45Å; W64-F111 AromaticContact CZ3-CE1 3.39Å; W64-F111 HydrophobicContact CZ3-CE1 3.39Å; W64-F111 AromaticContact CZ3-CZ 3.27Å; W64-F111 HydrophobicContact CZ3-CZ 3.27Å; W64-A126 HydrophobicContact CE3-CB 3.81Å; W64-A126 HydrophobicContact CH2-CB 3.2Å; W64-A126 HydrophobicContact CZ2-CB 4.02Å; W64-A126 HydrophobicContact CZ3-CB 3.08Å; W64-L158 HydrophobicContact CH2-CB 4.06Å; W64-L158 HydrophobicContact CZ2-CB 3.48Å; W64-L158 VanDerWaalsContact CZ2-CB 3.48Å; W64-L158 VanDerWaalsContact CZ2-O 3.25Å; W64-L158 WeakPolarHBondContact CZ2-O 3.37Å
65	L	91.1	Very high	73.7	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	147.1	171.8	-57.4	93.6	0	0	0	110.6	V63 P82 F83 A84 L98 W100 F124 Q125 H127	V63-L65 HydrophobicContact CG1-CD1 3.59Å; V63-L65 HydrophobicContact CG1-CG 4.47Å; V63-L65 HydrophobicContact CG2-CD1 4.24Å; V63-L65 HydrophobicContact CG2-CG 4.36Å; L65-P82 HydrophobicContact CB-CB 4.1Å; L65-P82 HydrophobicContact CB-CG 4.44Å; L65-P82 HydrophobicContact CD2-CB 4.14Å; L65-P82 HydrophobicContact CD2-CG 3.55Å; L65-F83 CarbonylContact C-O 3.6Å; L65-F83 WeakPolarHBondContact CA-O 3.45Å; L65-A84 HydrophobicContact CG-CB 4.39Å; L65-L98 VanDerWaalsContact CD2-O 3.31Å; L65-L98 WeakPolarHBondContact CD2-O 3Å; L65-W100 HydrophobicContact CB-CE3 3.88Å; L65-W100 HydrophobicContact CB-CZ3 3.91Å; L65-F124 CarbonylContact O-C 3.53Å; L65-F124 VanDerWaalsContact O-CA 3.31Å; L65-F124 WeakPolarHBondContact O-CA 3.06Å; L65-Q125 HydrophobicContact CB-CB 4.26Å; L65-Q125 HydrophobicContact CD1-CB 4.39Å; L65-Q125 WeakPolarHBondContact CD1-O 2.96Å; L65-Q125 PolarHBondContact N-O 3.48Å; L65-Q125 PolarHBondContact O-N 2.93Å; L65-H127 WeakPolarHBondContact CD1-CE1 3.38Å; L65-H127 WeakPolarHBondContact CD1-ND1 3.27Å; L65-H127 WeakPolarHBondContact CD1-NE2 3.32Å
66	E	88.3	Confident	73.8	Confident	16 Å²	16	70.1 Å²	70.1	8%	0.075	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	132.8	-179.3	-175.1	-178.8	167.9	0	0	111.3	G69 N72 P82 F83 Y122 E123 F124	E66-G69 WeakPolarHBondContact OE1-CA 3.42Å; E66-N72 PolarHBondContact O-ND2 2.71Å; E66-P82 WeakPolarHBondContact O-CA 3.33Å; E66-P82 WeakPolarHBondContact O-CB 3.43Å; E66-F83 HydrophobicContact CB-CB 4.35Å; E66-F83 HydrophobicContact CB-CD1 4.36Å; E66-F83 PolarHBondContact N-O 2.93Å; E66-F83 PolarHBondContact O-N 3.4Å; E66-Y122 VanDerWaalsContact OE1-CD2 3.31Å; E66-Y122 WeakPolarHBondContact OE1-CD2 3.33Å; E66-Y122 WeakPolarHBondContact OE1-CE2 3.38Å; E66-E123 WeakPolarHBondContact CA-O 3.21Å; E66-F124 HydrophobicContact CG-CD1 4.48Å; E66-F124 HydrophobicContact CG-CE1 4.17Å
67	R	85.7	Confident	73.9	Confident	97 Å²	97	61.3 Å²	61.3	37%	0.366	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	143.9	171.1	-72.9	179.1	168.7	-178.4	-4.1	110.2	G69 P82 W100 Y122 E123	R67-G69 PolarHBondContact O-N 3.19Å; R67-P82 HydrophobicContact CG-CB 3.99Å; R67-W100 HydrophobicContact CB-CH2 4.44Å; R67-W100 HydrophobicContact CB-CZ3 4.37Å; R67-W100 HydrophobicContact CG-CD2 4.38Å; R67-W100 HydrophobicContact CG-CE3 3.86Å; R67-W100 HydrophobicContact CG-CH2 4.16Å; R67-W100 HydrophobicContact CG-CZ3 3.75Å; R67-W100 VanDerWaalsContact CZ-CD1 3.48Å; R67-W100 VanDerWaalsContact NH2-CG 3.29Å; R67-Y122 WeakPolarHBondContact O-CA 3.18Å; R67-E123 HydrophobicContact CB-CB 4.31Å; R67-E123 PolarHBondContact N-O 3.13Å; R67-E123 PolarHBondContact O-N 3.05Å
68	G	75.3	Confident	73.2	Confident	42 Å²	42	60.6 Å²	60.6	43%	0.433	29%	0.29	S	S	.	.	S	Bend	trans	73.4	2.1	-176.7	0	0	0	0	0	114.6	Y122	G68-Y122 VanDerWaalsContact O-CD1 3.27Å; G68-Y122 WeakPolarHBondContact O-CD1 3.42Å; G68-Y122 WeakPolarHBondContact O-CE1 3.28Å
69	G	67.5	Low	72.2	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.304	C	S	.	.	S	Bend	trans	-64.1	166.1	-174.2	0	0	0	0	0	117.9	E66 R67 F71 N72 M73 Y122	E66-G69 WeakPolarHBondContact OE1-CA 3.42Å; R67-G69 PolarHBondContact O-N 3.19Å; G69-F71 PolarHBondContact O-N 3.36Å; G69-N72 CarbonylContact O-C 3.52Å; G69-N72 WeakPolarHBondContact O-CA 3.06Å; G69-N72 PolarHBondContact O-N 2.8Å; G69-M73 VanDerWaalsContact O-CG 3.29Å; G69-M73 WeakPolarHBondContact O-CG 3.24Å; G69-M73 PolarHBondContact O-N 3.01Å; G69-Y122 VanDerWaalsContact CA-CD1 3.45Å
70	F	60	Low	71.2	Confident	100 Å²	100	67.6 Å²	67.6	44%	0.439	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-58.6	-41.8	165.4	178.2	-94.4	0	0	0	109.7	N72 M73 Y122	F70-N72 PolarHBondContact O-N 2.73Å; F70-M73 HydrophobicContact CD2-CE 4.22Å; F70-Y122 WeakPolarHBondContact CA-OH 3.27Å; F70-Y122 WeakPolarHBondContact CB-OH 3.39Å; F70-Y122 PolarHBondContact N-OH 2.94Å
71	F	56.2	Low	70.2	Confident	89 Å²	89	68.6 Å²	68.6	39%	0.39	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-76.6	-9.5	176	-57.1	-70.4	0	0	0	113.6	F32 G69 Y77 F83	F32-F71 HydrophobicContact CZ-CE1 4.29Å; G69-F71 PolarHBondContact O-N 3.36Å; F71-Y77 WeakPolarHBondContact O-CB 3.08Å; F71-F83 HydrophobicContact CB-CB 3.9Å; F71-F83 HydrophobicContact CB-CD1 3.72Å; F71-F83 HydrophobicContact CB-CD2 3.54Å; F71-F83 HydrophobicContact CB-CE1 4.08Å; F71-F83 HydrophobicContact CB-CE2 3.91Å; F71-F83 HydrophobicContact CB-CG 3.42Å; F71-F83 VanDerWaalsContact CB-CG 3.42Å; F71-F83 HydrophobicContact CB-CZ 4.17Å; F71-F83 HydrophobicContact CD1-CE2 4.35Å; F71-F83 HydrophobicContact CD1-CZ 4.29Å; F71-F83 HydrophobicContact CD2-CD1 4.16Å; F71-F83 AromaticContact CD2-CE1 3.98Å; F71-F83 HydrophobicContact CD2-CE1 3.98Å; F71-F83 HydrophobicContact CD2-CZ 4.38Å; F71-F83 HydrophobicContact CG-CD1 4.11Å; F71-F83 HydrophobicContact CG-CD2 4.28Å; F71-F83 HydrophobicContact CG-CE1 4Å; F71-F83 HydrophobicContact CG-CE2 4.17Å; F71-F83 HydrophobicContact CG-CG 4.25Å; F71-F83 HydrophobicContact CG-CZ 4.03Å
72	N	53.4	Low	69.5	Low	23 Å²	23	69.1 Å²	69.1	12%	0.123	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-126.5	37.8	177.5	-162.8	-0.7	0	0	0	110.8	E66 G69 F70 Y77 S81 F83	E66-N72 PolarHBondContact O-ND2 2.71Å; G69-N72 CarbonylContact O-C 3.52Å; G69-N72 WeakPolarHBondContact O-CA 3.06Å; G69-N72 PolarHBondContact O-N 2.8Å; F70-N72 PolarHBondContact O-N 2.73Å; N72-Y77 WeakPolarHBondContact OD1-CD1 3.46Å; N72-S81 PolarHBondContact ND2-O 3.49Å; N72-F83 HydrophobicContact CB-CB 4.3Å
73	M	54.1	Low	69	Low	60 Å²	60	71.4 Å²	71.4	30%	0.296	35%	0.352	S	S	.	.			trans	-80.5	126.7	170.6	-77.7	-166.2	-177.5	0	0	108.1	G69 F70 K75 Y76 Y77	G69-M73 VanDerWaalsContact O-CG 3.29Å; G69-M73 WeakPolarHBondContact O-CG 3.24Å; G69-M73 PolarHBondContact O-N 3.01Å; F70-M73 HydrophobicContact CD2-CE 4.22Å; M73-K75 PolarHBondContact O-N 3.46Å; M73-Y76 HydrophobicContact CB-CD2 4.08Å; M73-Y76 PolarHBondContact O-N 2.82Å; M73-Y76 HydrophobicContact SD-CD2 4.32Å; M73-Y76 HydrophobicContact SD-CE2 4.39Å; M73-Y77 PolarHBondContact O-N 3.4Å
74	P	53.6	Low	68.6	Low	116 Å²	116	73.1 Å²	73.1	75%	0.753	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-25.3	179.4	-28.6	34.7	0	0	0	114.3
75	K	58.4	Low	68.4	Low	163 Å²	163	75.2 Å²	75.2	71%	0.709	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-33.7	176.5	-171.8	178.1	177.9	-170.1	0	113.4	M73	M73-K75 PolarHBondContact O-N 3.46Å
76	Y	56.7	Low	68.3	Low	152 Å²	152	79.6 Å²	79.6	60%	0.596	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.9	-18	-173.7	-59	-66.8	0	0	0	113	M73	M73-Y76 HydrophobicContact CB-CD2 4.08Å; M73-Y76 PolarHBondContact O-N 2.82Å; M73-Y76 HydrophobicContact SD-CD2 4.32Å; M73-Y76 HydrophobicContact SD-CE2 4.39Å
77	Y	55.4	Low	68.2	Low	72 Å²	72	80.1 Å²	80.1	28%	0.282	39%	0.394	S	S	.	.			trans	-129.4	106.4	-178.1	-163.2	-105.8	0	0	0	108.7	F71 N72 M73 S79 S81	F71-Y77 WeakPolarHBondContact O-CB 3.08Å; N72-Y77 WeakPolarHBondContact OD1-CD1 3.46Å; M73-Y77 PolarHBondContact O-N 3.4Å; Y77-S79 VanDerWaalsContact C-N 3.29Å; Y77-S79 WeakPolarHBondContact CD1-O 3.44Å; Y77-S79 VanDerWaalsContact CE1-CB 3.47Å; Y77-S81 WeakPolarHBondContact CE1-O 3.49Å; Y77-S81 PolarHBondContact OH-OG 3.5Å
78	K	53.5	Low	68.1	Low	210 Å²	210	77.5 Å²	77.5	91%	0.913	39%	0.386	S	S	*	.			trans	-82.7	-3.9	-177.5	-69.7	-176.8	-179.9	176.5	0	113.7
79	S	60	Low	68.6	Low	54 Å²	54	80.9 Å²	80.9	38%	0.378	39%	0.393	S	S	.	.			trans	-86	134.7	-179.4	-176.3	0	0	0	0	110.7	Y77 S81	Y77-S79 VanDerWaalsContact C-N 3.29Å; Y77-S79 WeakPolarHBondContact CD1-O 3.44Å; Y77-S79 VanDerWaalsContact CE1-CB 3.47Å; S79-S81 WeakPolarHBondContact CB-OG 3.27Å; S79-S81 PolarHBondContact O-N 2.87Å; S79-S81 WeakPolarHBondContact OG-CB 3.27Å; S79-S81 PolarHBondContact OG-N 2.92Å; S79-S81 VanDerWaalsContact OG-N 3.17Å; S79-S81 PolarHBondContact OG-OG 3.4Å
80	L	65	Low	69.6	Low	183 Å²	183	82 Å²	82	96%	0.958	40%	0.4	S	S	*	.	S	Bend	trans	-70	-8.9	170.7	-67.6	168.7	0	0	0	112.4
81	S	68.5	Low	70.8	Confident	48 Å²	48	80.5 Å²	80.5	34%	0.336	40%	0.402	S	S	.	.	S	Bend	trans	-70.5	151.3	175.8	65	0	0	0	0	111.2	N72 Y77 S79	N72-S81 PolarHBondContact ND2-O 3.49Å; Y77-S81 WeakPolarHBondContact CE1-O 3.49Å; Y77-S81 PolarHBondContact OH-OG 3.5Å; S79-S81 WeakPolarHBondContact CB-OG 3.27Å; S79-S81 PolarHBondContact O-N 2.87Å; S79-S81 WeakPolarHBondContact OG-CB 3.27Å; S79-S81 PolarHBondContact OG-N 2.92Å; S79-S81 VanDerWaalsContact OG-N 3.17Å; S79-S81 PolarHBondContact OG-OG 3.4Å
82	P	78.1	Confident	71.7	Confident	10 Å²	10	81.6 Å²	81.6	7%	0.065	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-56.9	150.5	164	28.2	-36.8	0	0	0	110.7	L65 E66 R67 W100	L65-P82 HydrophobicContact CB-CB 4.1Å; L65-P82 HydrophobicContact CB-CG 4.44Å; L65-P82 HydrophobicContact CD2-CB 4.14Å; L65-P82 HydrophobicContact CD2-CG 3.55Å; E66-P82 WeakPolarHBondContact O-CA 3.33Å; E66-P82 WeakPolarHBondContact O-CB 3.43Å; R67-P82 HydrophobicContact CG-CB 3.99Å; P82-W100 HydrophobicContact CB-CE3 3.95Å; P82-W100 HydrophobicContact CB-CZ3 4.47Å; P82-W100 HydrophobicContact CG-CB 4.27Å; P82-W100 HydrophobicContact CG-CE3 4.3Å
83	F	83.8	Confident	72.7	Confident	49 Å²	49	91 Å²	91	22%	0.215	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	136.6	162.5	172.3	-103.2	0	0	0	107.9	L65 E66 F71 N72 Q85	L65-F83 CarbonylContact C-O 3.6Å; L65-F83 WeakPolarHBondContact CA-O 3.45Å; E66-F83 HydrophobicContact CB-CB 4.35Å; E66-F83 HydrophobicContact CB-CD1 4.36Å; E66-F83 PolarHBondContact N-O 2.93Å; E66-F83 PolarHBondContact O-N 3.4Å; F71-F83 HydrophobicContact CB-CB 3.9Å; F71-F83 HydrophobicContact CB-CD1 3.72Å; F71-F83 HydrophobicContact CB-CD2 3.54Å; F71-F83 HydrophobicContact CB-CE1 4.08Å; F71-F83 HydrophobicContact CB-CE2 3.91Å; F71-F83 HydrophobicContact CB-CG 3.42Å; F71-F83 VanDerWaalsContact CB-CG 3.42Å; F71-F83 HydrophobicContact CB-CZ 4.17Å; F71-F83 HydrophobicContact CD1-CE2 4.35Å; F71-F83 HydrophobicContact CD1-CZ 4.29Å; F71-F83 HydrophobicContact CD2-CD1 4.16Å; F71-F83 AromaticContact CD2-CE1 3.98Å; F71-F83 HydrophobicContact CD2-CE1 3.98Å; F71-F83 HydrophobicContact CD2-CZ 4.38Å; F71-F83 HydrophobicContact CG-CD1 4.11Å; F71-F83 HydrophobicContact CG-CD2 4.28Å; F71-F83 HydrophobicContact CG-CE1 4Å; F71-F83 HydrophobicContact CG-CE2 4.17Å; F71-F83 HydrophobicContact CG-CG 4.25Å; F71-F83 HydrophobicContact CG-CZ 4.03Å; N72-F83 HydrophobicContact CB-CB 4.3Å; F83-Q85 HydrophobicContact CE1-CB 3.97Å; F83-Q85 HydrophobicContact CZ-CB 4.37Å
84	A	85.6	Confident	73.9	Confident	36 Å²	36	89.1 Å²	89.1	30%	0.298	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	122.8	-176.7	0	0	0	0	0	110.7	V63 W64 L65 L98	V63-A84 HydrophobicContact CG2-CB 4.06Å; W64-A84 CarbonylContact O-C 3.45Å; W64-A84 WeakPolarHBondContact O-CA 3.5Å; L65-A84 HydrophobicContact CG-CB 4.39Å; A84-L98 HydrophobicContact CB-CB 4.5Å
85	Q	86.7	Confident	75.4	Confident	59 Å²	59	87.2 Å²	87.2	28%	0.276	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	108.3	176.4	-171.4	-177.5	25.7	0	0	110.1	V63 W64 F83 R87	V63-Q85 WeakPolarHBondContact CA-O 3.49Å; V63-Q85 WeakPolarHBondContact CG2-O 3.35Å; W64-Q85 PolarHBondContact N-O 3.1Å; W64-Q85 PolarHBondContact O-N 3.17Å; F83-Q85 HydrophobicContact CE1-CB 3.97Å; F83-Q85 HydrophobicContact CZ-CB 4.37Å; Q85-R87 VanDerWaalsContact OE1-CZ 3.23Å
86	R	87.9	Confident	76.9	Confident	93 Å²	93	80.3 Å²	80.3	35%	0.351	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	140.7	175.2	-69.8	-175.2	177.1	-89.8	2.5	110.8	N43 Y48 L98	N43-R86 PolarHBondContact OD1-NE 3.4Å; Y48-R86 WeakPolarHBondContact OH-CB 3.35Å; R86-L98 HydrophobicContact CG-CD2 4.06Å
87	R	86.7	Confident	78.4	Confident	27 Å²	27	74.9 Å²	74.9	10%	0.102	39%	0.394	C	S	.	.			trans	-131.8	-30.7	-174.2	-70.4	-52.6	-178.5	120.6	11.5	113.6	Y48 P61 C62 W64 Q85 T156 W157	Y48-R87 WeakPolarHBondContact CD1-O 3.45Å; Y48-R87 WeakPolarHBondContact CE1-O 3.43Å; P61-R87 WeakPolarHBondContact O-CB 3.28Å; C62-R87 PolarHBondContact O-N 3.49Å; W64-R87 HydrophobicContact CG-CG 4.26Å; Q85-R87 VanDerWaalsContact OE1-CZ 3.23Å; R87-T156 PolarHBondContact NH1-O 2.75Å; R87-T156 PolarHBondContact NH2-O 2.93Å; R87-W157 HydrophobicContact CB-CE3 4.46Å; R87-W157 HydrophobicContact CB-CH2 4.12Å; R87-W157 HydrophobicContact CB-CZ3 3.67Å; R87-W157 HydrophobicContact CG-CZ3 4.23Å; R87-W157 WeakPolarHBondContact O-CH2 3.42Å; R87-W157 WeakPolarHBondContact O-CZ3 3.4Å
88	H	84.2	Confident	80	Confident	42 Å²	42	74.6 Å²	74.6	19%	0.194	40%	0.397	C	S	.	.			trans	-146.8	145.2	170.6	175.5	66.1	0	0	0	111.1	H50 T60 C62	H50-H88 AromaticContact CD2-ND1 3.55Å; H50-H88 AromaticContact NE2-ND1 3.98Å; T60-H88 HydrophobicContact CG2-CB 4.42Å; C62-H88 PolarHBondContact O-N 2.7Å
89	I	85.8	Confident	81.8	Confident	113 Å²	113	68.9 Å²	68.9	58%	0.579	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-88.3	117.7	175.2	-58.7	175.1	0	0	0	108	Y48	Y48-I89 HydrophobicContact CE1-CG1 4.21Å; Y48-I89 HydrophobicContact CE2-CD1 4.07Å; Y48-I89 HydrophobicContact CE2-CG1 4.12Å
90	C	87.2	Confident	83.3	Confident	22 Å²	22	68.2 Å²	68.2	15%	0.149	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-67.6	152.9	174.7	-62.5	0	0	0	0	111.9	S94 C96 C129	C90-S94 VanDerWaalsContact CB-O 3.22Å; C90-S94 WeakPolarHBondContact CB-O 3.33Å; C90-S94 WeakPolarHBondContact CB-OG 3.39Å; C90-C96 VanDerWaalsContact SG-CB 3.58Å; C90-C129 WeakPolarHBondContact CA-SG 3.39Å; C90-C129 HydrophobicContact CB-CB 3.73Å; C90-C129 WeakPolarHBondContact CB-SG 3.21Å; C90-C129 WeakPolarHBondContact SG-CA 3.21Å; C90-C129 WeakPolarHBondContact SG-CB 3.38Å; C90-C129 CovalentContact SG-SG 2.03Å; C90-C129 PolarHBondContact SG-SG 2.8Å
91	S	85.6	Confident	84.6	Confident	70 Å²	70	60.8 Å²	60.8	49%	0.49	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-62.7	159.8	170.7	64.9	0	0	0	0	110.5	Y93 S94	S91-Y93 PolarHBondContact O-N 2.9Å; S91-S94 PolarHBondContact N-OG 3.36Å; S91-S94 PolarHBondContact O-N 3.12Å; S91-S94 VanDerWaalsContact O-O 3.06Å; S91-S94 PolarHBondContact O-OG 3.45Å; S91-S94 VanDerWaalsContact O-OG 3.09Å; S91-S94 PolarHBondContact OG-OG 2.79Å; S91-S94 VanDerWaalsContact OG-OG 3.1Å
92	S	74.9	Confident	85.8	Confident	112 Å²	112	62.3 Å²	62.3	78%	0.783	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-24.6	-178.3	50.5	0	0	0	0	114.7
93	Y	75.2	Confident	86.4	Confident	221 Å²	221	63.9 Å²	63.9	87%	0.867	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	0.7	179.4	-56	-73.5	0	0	0	114.2	S91	S91-Y93 PolarHBondContact O-N 2.9Å
94	S	79.9	Confident	86.6	Confident	19 Å²	19	66 Å²	66	13%	0.133	36%	0.362	C	S	.	.			trans	-133.5	134.6	-176.1	52	0	0	0	0	111.8	C90 S91 C129	C90-S94 VanDerWaalsContact CB-O 3.22Å; C90-S94 WeakPolarHBondContact CB-O 3.33Å; C90-S94 WeakPolarHBondContact CB-OG 3.39Å; S91-S94 PolarHBondContact N-OG 3.36Å; S91-S94 PolarHBondContact O-N 3.12Å; S91-S94 VanDerWaalsContact O-O 3.06Å; S91-S94 PolarHBondContact O-OG 3.45Å; S91-S94 VanDerWaalsContact O-OG 3.09Å; S91-S94 PolarHBondContact OG-OG 2.79Å; S91-S94 VanDerWaalsContact OG-OG 3.1Å; S94-C129 WeakPolarHBondContact CB-O 3.23Å
95	S	84.8	Confident	86.9	Confident	77 Å²	77	66.3 Å²	66.3	54%	0.538	36%	0.359	S	S	.	.			trans	-96.2	146	178.3	58.7	0	0	0	0	111.4
96	C	90.2	Very high	87.2	Confident	18 Å²	18	65.7 Å²	65.7	12%	0.122	36%	0.359	C	S	.	.			trans	-117.9	87.9	167.9	-169.7	0	0	0	0	108.3	C62 V63 C90	C62-C96 HydrophobicContact CB-CB 3.79Å; C62-C96 WeakPolarHBondContact CB-SG 3.18Å; C62-C96 WeakPolarHBondContact SG-CB 3.2Å; C62-C96 CovalentContact SG-SG 2.03Å; C62-C96 PolarHBondContact SG-SG 3.47Å; V63-C96 VanDerWaalsContact CG1-SG 3.51Å; C90-C96 VanDerWaalsContact SG-CB 3.58Å
97	P	88.1	Confident	87.4	Confident	38 Å²	38	63.5 Å²	63.5	25%	0.247	35%	0.352	C	S	.	.			trans	-61.8	141.6	-179.9	24.9	-31.9	0	0	0	110.1	V63 L101 H127	V63-P97 WeakPolarHBondContact CG1-O 2.98Å; P97-L101 HydrophobicContact CB-CD2 4.41Å; P97-L101 HydrophobicContact CG-CD1 3.74Å; P97-L101 HydrophobicContact CG-CD2 4.14Å; P97-L101 HydrophobicContact CG-CG 4.25Å; P97-H127 PolarHBondContact O-CE1 3.18Å; P97-H127 PolarHBondContact O-ND1 3.43Å
98	L	88.7	Confident	87.8	Confident	65 Å²	65	62.2 Å²	62.2	34%	0.34	35%	0.347	S	S	.	.			trans	-99.9	8.7	176.1	-57.5	-177.7	0	0	0	112.5	V63 L65 A84 R86	V63-L98 HydrophobicContact CB-CD2 4.02Å; V63-L98 HydrophobicContact CG1-CD2 4.2Å; V63-L98 HydrophobicContact CG2-CD2 3.67Å; L65-L98 VanDerWaalsContact CD2-O 3.31Å; L65-L98 WeakPolarHBondContact CD2-O 3Å; A84-L98 HydrophobicContact CB-CB 4.5Å; R86-L98 HydrophobicContact CG-CD2 4.06Å
99	T	90.3	Very high	88.4	Confident	91 Å²	91	60.3 Å²	60.3	56%	0.558	34%	0.338	S	S	*	.	S	Bend	trans	-99.6	147.6	177.1	53.1	0	0	0	0	109.7	L101 H127	T99-L101 PolarHBondContact O-N 3.18Å; T99-H127 PolarHBondContact O-CE1 2.88Å
100	W	91.7	Very high	88.8	Confident	40 Å²	40	55.2 Å²	55.2	15%	0.152	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-62.2	126.2	175.5	-162.3	-88.9	0	0	0	111.2	L65 R67 P82 T110 E123 Q125	L65-W100 HydrophobicContact CB-CE3 3.88Å; L65-W100 HydrophobicContact CB-CZ3 3.91Å; R67-W100 HydrophobicContact CB-CH2 4.44Å; R67-W100 HydrophobicContact CB-CZ3 4.37Å; R67-W100 HydrophobicContact CG-CD2 4.38Å; R67-W100 HydrophobicContact CG-CE3 3.86Å; R67-W100 HydrophobicContact CG-CH2 4.16Å; R67-W100 HydrophobicContact CG-CZ3 3.75Å; R67-W100 VanDerWaalsContact CZ-CD1 3.48Å; R67-W100 VanDerWaalsContact NH2-CG 3.29Å; P82-W100 HydrophobicContact CB-CE3 3.95Å; P82-W100 HydrophobicContact CB-CZ3 4.47Å; P82-W100 HydrophobicContact CG-CB 4.27Å; P82-W100 HydrophobicContact CG-CE3 4.3Å; W100-T110 HydrophobicContact CH2-CG2 4.24Å; W100-T110 HydrophobicContact CZ2-CG2 3.55Å; W100-E123 HydrophobicContact CH2-CB 3.82Å; W100-E123 WeakPolarHBondContact CH2-O 3.27Å; W100-E123 HydrophobicContact CZ2-CB 4.14Å; W100-Q125 VanDerWaalsContact CA-OE1 3.3Å; W100-Q125 HydrophobicContact CD2-CB 4.24Å; W100-Q125 HydrophobicContact CE3-CB 3.88Å; W100-Q125 HydrophobicContact CH2-CB 3.67Å; W100-Q125 HydrophobicContact CZ2-CB 4.02Å; W100-Q125 HydrophobicContact CZ3-CB 3.58Å
101	L	93.2	Very high	89.2	Confident	27 Å²	27	54.2 Å²	54.2	14%	0.141	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-94.1	160.1	179.8	-62.6	179.1	0	0	0	111.5	P97 T99 D105 Q125	P97-L101 HydrophobicContact CB-CD2 4.41Å; P97-L101 HydrophobicContact CG-CD1 3.74Å; P97-L101 HydrophobicContact CG-CD2 4.14Å; P97-L101 HydrophobicContact CG-CG 4.25Å; T99-L101 PolarHBondContact O-N 3.18Å; L101-D105 HydrophobicContact CB-CB 3.99Å; L101-D105 HydrophobicContact CD1-CB 4.29Å; L101-Q125 PolarHBondContact O-NE2 3.44Å
102	P	93.1	Very high	89.6	Confident	79 Å²	79	53.6 Å²	53.6	51%	0.513	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-54.2	145.5	167.5	-26	36.6	0	0	0	111.9	N104 D105	P102-N104 WeakPolarHBondContact CB-OD1 3.38Å; P102-N104 PolarHBondContact O-N 2.94Å; P102-N104 VanDerWaalsContact O-N 3.11Å; P102-D105 VanDerWaalsContact O-CB 3.26Å; P102-D105 WeakPolarHBondContact O-CB 3.45Å; P102-D105 PolarHBondContact O-N 2.65Å
103	T	90.8	Very high	90.4	Very high	44 Å²	44	48.7 Å²	48.7	27%	0.27	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.4	-178.2	46.5	0	0	0	0	113.8	T110 L168 I170	T103-T110 HydrophobicContact CG2-CG2 4.33Å; T103-L168 WeakPolarHBondContact CB-O 3.15Å; T103-L168 PolarHBondContact OG1-O 3.29Å; T103-I170 HydrophobicContact CG2-CG1 4.38Å
104	N	87.4	Confident	91.2	Very high	92 Å²	92	39.4 Å²	39.4	49%	0.492	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	7.4	177.4	66.9	-18.5	0	0	0	113.7	P102	P102-N104 WeakPolarHBondContact CB-OD1 3.38Å; P102-N104 PolarHBondContact O-N 2.94Å; P102-N104 VanDerWaalsContact O-N 3.11Å
105	D	93.3	Very high	91.5	Very high	44 Å²	44	38.7 Å²	38.7	24%	0.235	22%	0.219	C	C	.	.			trans	-64.4	138.4	-179.8	-176.2	-85.7	0	0	0	112	L101 P102 K107 S108	L101-D105 HydrophobicContact CB-CB 3.99Å; L101-D105 HydrophobicContact CD1-CB 4.29Å; P102-D105 VanDerWaalsContact O-CB 3.26Å; P102-D105 WeakPolarHBondContact O-CB 3.45Å; P102-D105 PolarHBondContact O-N 2.65Å; D105-K107 PolarHBondContact O-N 2.8Å; D105-K107 VanDerWaalsContact O-N 3.17Å; D105-K107 WeakPolarHBondContact OD1-CA 3.18Å; D105-K107 WeakPolarHBondContact OD1-CB 3.33Å; D105-K107 PolarHBondContact OD1-N 2.81Å; D105-S108 PolarHBondContact O-N 2.88Å
106	V	92.4	Very high	91.4	Very high	46 Å²	46	36.9 Å²	36.9	28%	0.279	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-9.2	-173.5	-65.3	0	0	0	0	114.6	R131 I132	V106-R131 HydrophobicContact CB-CB 4.49Å; V106-R131 HydrophobicContact CB-CG 4.18Å; V106-R131 HydrophobicContact CG2-CG 3.79Å; V106-R131 CarbonylContact O-C 3.57Å; V106-R131 VanDerWaalsContact O-CA 3.27Å; V106-R131 WeakPolarHBondContact O-CA 3.36Å; V106-I132 PolarHBondContact O-N 3.31Å
107	K	92.9	Very high	90.9	Very high	47 Å²	47	37.3 Å²	37.3	20%	0.204	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	11.9	179.9	-58.3	-169.2	179.4	-167.7	0	112.7	D105 H127 F128 C129 R131	D105-K107 PolarHBondContact O-N 2.8Å; D105-K107 VanDerWaalsContact O-N 3.17Å; D105-K107 WeakPolarHBondContact OD1-CA 3.18Å; D105-K107 WeakPolarHBondContact OD1-CB 3.33Å; D105-K107 PolarHBondContact OD1-N 2.81Å; K107-H127 CarbonylContact O-C 3.38Å; K107-H127 WeakPolarHBondContact O-CA 3.29Å; K107-F128 WeakPolarHBondContact O-CD2 3.34Å; K107-F128 PolarHBondContact O-N 3.48Å; K107-C129 PolarHBondContact NZ-O 2.94Å; K107-R131 HydrophobicContact CG-CG 4.39Å
108	S	94.7	Very high	90.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	153	-179.2	85.2	0	0	0	0	114	D105 Q125 A126	D105-S108 PolarHBondContact O-N 2.88Å; S108-Q125 PolarHBondContact OG-NE2 3.34Å; S108-A126 CarbonylContact C-O 3.45Å; S108-A126 WeakPolarHBondContact CA-O 3.06Å
109	L	95.4	Very high	89.6	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	128.7	166.5	-65	176	0	0	0	108.8	F111 Q125 A126 F128 I132 Y133 F149 V160	L109-F111 HydrophobicContact CB-CD1 4.44Å; L109-Q125 CarbonylContact O-C 3.5Å; L109-Q125 VanDerWaalsContact O-CA 3.26Å; L109-Q125 WeakPolarHBondContact O-CA 3.4Å; L109-A126 HydrophobicContact CB-CB 4.29Å; L109-A126 PolarHBondContact N-O 2.91Å; L109-A126 PolarHBondContact O-N 3.39Å; L109-F128 HydrophobicContact CD1-CE2 4.16Å; L109-F128 HydrophobicContact CD1-CZ 4.3Å; L109-F128 HydrophobicContact CG-CE2 4.1Å; L109-I132 HydrophobicContact CD1-CD1 4.1Å; L109-I132 HydrophobicContact CD2-CD1 3.46Å; L109-I132 VanDerWaalsContact CD2-CD1 3.46Å; L109-I132 HydrophobicContact CG-CD1 3.41Å; L109-I132 VanDerWaalsContact CG-CD1 3.41Å; L109-Y133 HydrophobicContact CD2-CE2 4.2Å; L109-Y133 WeakPolarHBondContact CD2-OH 3.26Å; L109-F149 HydrophobicContact CB-CE2 4.49Å; L109-F149 HydrophobicContact CB-CZ 4.27Å; L109-F149 HydrophobicContact CD1-CD2 3.88Å; L109-F149 HydrophobicContact CD1-CE2 3.95Å; L109-F149 HydrophobicContact CD1-CG 4.19Å; L109-F149 HydrophobicContact CD1-CZ 4.35Å; L109-F149 HydrophobicContact CD2-CD1 4.07Å; L109-F149 HydrophobicContact CD2-CE1 4.04Å; L109-F149 HydrophobicContact CD2-CG 4.44Å; L109-F149 HydrophobicContact CD2-CZ 4.37Å; L109-V160 HydrophobicContact CD1-CB 4.44Å; L109-V160 HydrophobicContact CD1-CG1 4.22Å; L109-V160 HydrophobicContact CD1-CG2 3.35Å
110	T	95.8	Very high	88.9	Confident	6 Å²	6	35.6 Å²	35.6	4%	0.037	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	130.6	175.2	-51.5	0	0	0	0	110.3	W100 T103 F124 Q125 I170 A171	W100-T110 HydrophobicContact CH2-CG2 4.24Å; W100-T110 HydrophobicContact CZ2-CG2 3.55Å; T103-T110 HydrophobicContact CG2-CG2 4.33Å; T110-F124 CarbonylContact C-O 3.35Å; T110-F124 VanDerWaalsContact CA-O 3.31Å; T110-F124 WeakPolarHBondContact CA-O 2.96Å; T110-Q125 PolarHBondContact OG1-NE2 2.78Å; T110-I170 HydrophobicContact CG2-CB 4.45Å; T110-I170 HydrophobicContact CG2-CG1 3.89Å; T110-I170 HydrophobicContact CG2-CG2 4.19Å; T110-A171 PolarHBondContact O-N 3.39Å
111	F	95.2	Very high	88	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	166.1	-176.1	61.3	-95.1	0	0	0	114.4	W64 L109 L113 F124 A126 F149 L151 L158 A171 M196	W64-F111 HydrophobicContact CE3-CZ 4.37Å; W64-F111 AromaticContact CH2-CE1 3.61Å; W64-F111 HydrophobicContact CH2-CE1 3.61Å; W64-F111 AromaticContact CH2-CZ 3.45Å; W64-F111 HydrophobicContact CH2-CZ 3.45Å; W64-F111 VanDerWaalsContact CH2-CZ 3.45Å; W64-F111 AromaticContact CZ3-CE1 3.39Å; W64-F111 HydrophobicContact CZ3-CE1 3.39Å; W64-F111 AromaticContact CZ3-CZ 3.27Å; W64-F111 HydrophobicContact CZ3-CZ 3.27Å; L109-F111 HydrophobicContact CB-CD1 4.44Å; F111-L113 HydrophobicContact CD2-CD2 3.88Å; F111-L113 HydrophobicContact CD2-CG 4.02Å; F111-L113 HydrophobicContact CE2-CD1 4.11Å; F111-L113 HydrophobicContact CE2-CD2 3.78Å; F111-L113 HydrophobicContact CE2-CG 3.8Å; F111-F124 HydrophobicContact CD2-CB 3.99Å; F111-F124 HydrophobicContact CD2-CD2 4.37Å; F111-F124 HydrophobicContact CE1-CB 4.32Å; F111-F124 HydrophobicContact CE2-CB 3.61Å; F111-F124 HydrophobicContact CE2-CD2 4.11Å; F111-F124 HydrophobicContact CE2-CG 4.04Å; F111-F124 HydrophobicContact CG-CB 4.48Å; F111-F124 HydrophobicContact CZ-CB 3.8Å; F111-F124 PolarHBondContact N-O 3.26Å; F111-F124 PolarHBondContact O-N 2.96Å; F111-A126 HydrophobicContact CE1-CB 4.35Å; F111-F149 HydrophobicContact CB-CZ 4.15Å; F111-F149 HydrophobicContact CD1-CE2 4.22Å; F111-F149 HydrophobicContact CD1-CZ 4.24Å; F111-L151 HydrophobicContact CD1-CD1 4.25Å; F111-L151 HydrophobicContact CD2-CD1 4.12Å; F111-L151 HydrophobicContact CE1-CD1 3.84Å; F111-L151 HydrophobicContact CE2-CD1 3.74Å; F111-L151 HydrophobicContact CG-CD1 4.37Å; F111-L151 HydrophobicContact CZ-CD1 3.58Å; F111-L158 HydrophobicContact CZ-CD1 4.48Å; F111-A171 CarbonylContact C-O 3.52Å; F111-A171 WeakPolarHBondContact CA-O 3.32Å; F111-A171 HydrophobicContact CB-CB 4.08Å; F111-A171 WeakPolarHBondContact CB-O 3.22Å; F111-M196 HydrophobicContact CB-CE 3.57Å; F111-M196 HydrophobicContact CD2-CE 4.01Å; F111-M196 HydrophobicContact CG-CE 4.04Å
112	K	93.8	Very high	87.7	Confident	57 Å²	57	36.1 Å²	36.1	25%	0.248	19%	0.191	C	C	.	.			trans	-114.1	143.4	172.9	-70.2	175.1	177.2	173.7	0	110.3	E123 I170 A171 M196	K112-E123 HydrophobicContact CD-CG 4.39Å; K112-E123 WeakPolarHBondContact CE-OE1 3.19Å; K112-E123 HydrophobicContact CG-CG 4.15Å; K112-E123 IonicContact NZ-OE1 3.21Å; K112-E123 PolarHBondContact NZ-OE1 3.21Å; K112-I170 HydrophobicContact CD-CG2 4.17Å; K112-I170 HydrophobicContact CG-CG2 3.8Å; K112-A171 PolarHBondContact N-O 3.01Å; K112-M196 VanDerWaalsContact O-CE 3.29Å; K112-M196 WeakPolarHBondContact O-CE 3.43Å
113	L	92.4	Very high	87.6	Confident	9 Å²	9	34.6 Å²	34.6	5%	0.047	18%	0.177	C	C	.	.			trans	-109.4	163.3	172.5	-62	178.9	0	0	0	109.8	F111 M119 F124 L158 V173 I194	F111-L113 HydrophobicContact CD2-CD2 3.88Å; F111-L113 HydrophobicContact CD2-CG 4.02Å; F111-L113 HydrophobicContact CE2-CD1 4.11Å; F111-L113 HydrophobicContact CE2-CD2 3.78Å; F111-L113 HydrophobicContact CE2-CG 3.8Å; L113-M119 HydrophobicContact CB-SD 4.36Å; L113-M119 HydrophobicContact CD1-CE 4.32Å; L113-F124 HydrophobicContact CB-CD2 4.46Å; L113-F124 HydrophobicContact CB-CE2 4.03Å; L113-F124 HydrophobicContact CD1-CD2 4.12Å; L113-F124 HydrophobicContact CD1-CE2 3.82Å; L113-F124 HydrophobicContact CD1-CZ 4.25Å; L113-F124 HydrophobicContact CG-CD2 3.98Å; L113-F124 HydrophobicContact CG-CE2 3.91Å; L113-L158 HydrophobicContact CD1-CD1 3.89Å; L113-V173 HydrophobicContact CD2-CG2 4.4Å; L113-I194 HydrophobicContact CD2-CD1 4.1Å; L113-I194 HydrophobicContact CD2-CG2 4.44Å
114	I	91.4	Very high	87.7	Confident	27 Å²	27	33.8 Å²	33.8	14%	0.138	17%	0.17	C	C	.	.			trans	-121.7	160.5	172.1	65.1	163.4	0	0	0	109.8	Y176 V226 C236 I238 Y239	I114-Y176 HydrophobicContact CD1-CE2 4Å; I114-Y176 HydrophobicContact CG1-CE2 3.69Å; I114-Y176 PolarHBondContact O-OH 3.42Å; I114-V226 HydrophobicContact CD1-CB 4.48Å; I114-V226 HydrophobicContact CD1-CG1 4.12Å; I114-V226 HydrophobicContact CD1-CG2 3.48Å; I114-V226 VanDerWaalsContact CD1-CG2 3.48Å; I114-C236 HydrophobicContact CD1-CB 4.23Å; I114-I238 HydrophobicContact CD1-CD1 4.04Å; I114-I238 HydrophobicContact CD1-CG1 4.47Å; I114-I238 HydrophobicContact CD1-CG2 4.5Å; I114-I238 HydrophobicContact CG1-CD1 3.9Å; I114-I238 HydrophobicContact CG1-CG1 4.38Å; I114-Y239 WeakPolarHBondContact O-CE2 3.3Å
115	G	85.8	Confident	88.1	Confident	3 Å²	3	29.4 Å²	29.4	3%	0.031	15%	0.146	C	C	.	.	S	Bend	trans	142	-37	160.8	0	0	0	0	0	116.4	C236 P237 I238	G115-C236 CarbonylContact C-O 3.49Å; G115-C236 WeakPolarHBondContact CA-O 3.41Å; G115-C236 PolarHBondContact N-O 3.47Å; G115-P237 CarbonylContact O-C 3.52Å; G115-P237 WeakPolarHBondContact O-CA 3.27Å; G115-I238 VanDerWaalsContact CA-CG1 3.42Å; G115-I238 PolarHBondContact O-N 3.35Å
116	T	82.9	Confident	88.1	Confident	40 Å²	40	27.3 Å²	27.3	25%	0.245	14%	0.135	C	C	.	.	S	Bend	trans	-109	165.5	172.4	65.1	0	0	0	0	110.4	D118 M119 Y239	T116-D118 VanDerWaalsContact C-N 3.28Å; T116-D118 PolarHBondContact O-N 2.86Å; T116-M119 HydrophobicContact CG2-SD 4.47Å; T116-M119 PolarHBondContact O-N 3.1Å; T116-M119 VanDerWaalsContact OG1-CG 3.27Å; T116-M119 WeakPolarHBondContact OG1-CG 3.08Å; T116-M119 PolarHBondContact OG1-N 2.87Å; T116-Y239 HydrophobicContact CG2-CD2 3.74Å; T116-Y239 HydrophobicContact CG2-CE2 4.46Å; T116-Y239 HydrophobicContact CG2-CG 4.48Å
117	D	79.5	Confident	88.3	Confident	26 Å²	26	25.1 Å²	25.1	14%	0.139	12%	0.122	C	C	.	.	S	Bend	trans	-53.6	-48.7	176.2	-166.4	-31	0	0	0	111.2	M119 H235 R265 N266	D117-M119 PolarHBondContact O-N 2.96Å; D117-H235 PolarHBondContact N-CD2 2.91Å; D117-R265 WeakPolarHBondContact OD1-CB 3.34Å; D117-R265 WeakPolarHBondContact OD1-CD 3.35Å; D117-R265 WeakPolarHBondContact OD1-CG 3.21Å; D117-R265 IonicContact OD1-CZ 2.89Å; D117-R265 IonicContact OD1-NE 3.2Å; D117-R265 PolarHBondContact OD1-NE 3.09Å; D117-R265 IonicContact OD1-NH2 3.57Å; D117-R265 WeakPolarHBondContact OD2-CA 3.22Å; D117-R265 WeakPolarHBondContact OD2-CB 3.1Å; D117-N266 PolarHBondContact OD2-N 3.3Å
118	D	73.2	Confident	88.3	Confident	64 Å²	64	23.3 Å²	23.3	34%	0.342	11%	0.114	S	C	.	.	G	3₁₀ helix	trans	-72	-35	-173.7	-41.3	-64	0	0	0	112.8	T116 R120 D121 Y122	T116-D118 VanDerWaalsContact C-N 3.28Å; T116-D118 PolarHBondContact O-N 2.86Å; D118-R120 PolarHBondContact O-N 2.51Å; D118-D121 PolarHBondContact O-N 3.17Å; D118-Y122 HydrophobicContact CB-CE1 3.85Å; D118-Y122 HydrophobicContact CB-CE2 4.14Å; D118-Y122 WeakPolarHBondContact CB-OH 3.09Å; D118-Y122 WeakPolarHBondContact O-CD1 2.91Å; D118-Y122 WeakPolarHBondContact O-CE1 3.35Å
119	M	76.8	Confident	88.2	Confident	31 Å²	31	24 Å²	24	15%	0.153	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-57.1	-19.8	-178	-83.3	177.8	162.4	0	0	114.3	L113 T116 D117 D121 Y122 Y239	L113-M119 HydrophobicContact CB-SD 4.36Å; L113-M119 HydrophobicContact CD1-CE 4.32Å; T116-M119 HydrophobicContact CG2-SD 4.47Å; T116-M119 PolarHBondContact O-N 3.1Å; T116-M119 VanDerWaalsContact OG1-CG 3.27Å; T116-M119 WeakPolarHBondContact OG1-CG 3.08Å; T116-M119 PolarHBondContact OG1-N 2.87Å; D117-M119 PolarHBondContact O-N 2.96Å; M119-D121 PolarHBondContact O-N 2.69Å; M119-Y122 HydrophobicContact CB-CD2 4.47Å; M119-Y122 HydrophobicContact CG-CD2 4.07Å; M119-Y122 HydrophobicContact CG-CE2 4.36Å; M119-Y122 PolarHBondContact O-N 2.85Å; M119-Y122 VanDerWaalsContact O-N 3.13Å; M119-Y239 HydrophobicContact CE-CE2 3.99Å; M119-Y239 HydrophobicContact SD-CD2 4.39Å; M119-Y239 HydrophobicContact SD-CE2 3.6Å; M119-Y239 VanDerWaalsContact SD-CE2 3.6Å
120	R	75.3	Confident	87.9	Confident	64 Å²	64	29.1 Å²	29.1	24%	0.242	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-58.9	-32.4	-178.6	-179.5	58.3	-172.6	94.4	-8.6	113.2	D118 I229 C230	D118-R120 PolarHBondContact O-N 2.51Å; R120-I229 VanDerWaalsContact NH2-CG2 3.32Å; R120-C230 PolarHBondContact NE-O 3.27Å; R120-C230 PolarHBondContact NH2-O 2.75Å
121	D	73.4	Confident	87.6	Confident	60 Å²	60	37.6 Å²	37.6	32%	0.321	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-97.8	-0.6	-177	-61.8	-44.3	0	0	0	112.5	D118 M119 R265	D118-D121 PolarHBondContact O-N 3.17Å; M119-D121 PolarHBondContact O-N 2.69Å; D121-R265 IonicContact OD1-NH1 3.2Å; D121-R265 IonicContact OD2-CZ 2.85Å; D121-R265 IonicContact OD2-NH1 3.26Å; D121-R265 PolarHBondContact OD2-NH1 3.2Å; D121-R265 IonicContact OD2-NH2 3.19Å; D121-R265 PolarHBondContact OD2-NH2 2.89Å
122	Y	85.3	Confident	87.5	Confident	18 Å²	18	38.5 Å²	38.5	7%	0.071	18%	0.182	C	C	.	.			trans	-89.9	129.3	-169	-64.2	3.3	0	0	0	111.6	E66 R67 G68 G69 F70 D118 M119 F124	E66-Y122 VanDerWaalsContact OE1-CD2 3.31Å; E66-Y122 WeakPolarHBondContact OE1-CD2 3.33Å; E66-Y122 WeakPolarHBondContact OE1-CE2 3.38Å; R67-Y122 WeakPolarHBondContact O-CA 3.18Å; G68-Y122 VanDerWaalsContact O-CD1 3.27Å; G68-Y122 WeakPolarHBondContact O-CD1 3.42Å; G68-Y122 WeakPolarHBondContact O-CE1 3.28Å; G69-Y122 VanDerWaalsContact CA-CD1 3.45Å; F70-Y122 WeakPolarHBondContact CA-OH 3.27Å; F70-Y122 WeakPolarHBondContact CB-OH 3.39Å; F70-Y122 PolarHBondContact N-OH 2.94Å; D118-Y122 HydrophobicContact CB-CE1 3.85Å; D118-Y122 HydrophobicContact CB-CE2 4.14Å; D118-Y122 WeakPolarHBondContact CB-OH 3.09Å; D118-Y122 WeakPolarHBondContact O-CD1 2.91Å; D118-Y122 WeakPolarHBondContact O-CE1 3.35Å; M119-Y122 HydrophobicContact CB-CD2 4.47Å; M119-Y122 HydrophobicContact CG-CD2 4.07Å; M119-Y122 HydrophobicContact CG-CE2 4.36Å; M119-Y122 PolarHBondContact O-N 2.85Å; M119-Y122 VanDerWaalsContact O-N 3.13Å; Y122-F124 HydrophobicContact CD2-CE2 4.26Å; Y122-F124 AromaticContact CD2-CZ 3.78Å; Y122-F124 HydrophobicContact CD2-CZ 3.78Å; Y122-F124 HydrophobicContact CG-CZ 4.41Å
123	E	92.2	Very high	87.3	Confident	47 Å²	47	36.4 Å²	36.4	22%	0.22	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	128.3	164.4	-72.5	176.3	-176.1	0	0	108.8	E66 R67 W100 K112 I170	E66-E123 WeakPolarHBondContact CA-O 3.21Å; R67-E123 HydrophobicContact CB-CB 4.31Å; R67-E123 PolarHBondContact N-O 3.13Å; R67-E123 PolarHBondContact O-N 3.05Å; W100-E123 HydrophobicContact CH2-CB 3.82Å; W100-E123 WeakPolarHBondContact CH2-O 3.27Å; W100-E123 HydrophobicContact CZ2-CB 4.14Å; K112-E123 HydrophobicContact CD-CG 4.39Å; K112-E123 WeakPolarHBondContact CE-OE1 3.19Å; K112-E123 HydrophobicContact CG-CG 4.15Å; K112-E123 IonicContact NZ-OE1 3.21Å; K112-E123 PolarHBondContact NZ-OE1 3.21Å; E123-I170 HydrophobicContact CG-CD1 4.14Å; E123-I170 WeakPolarHBondContact OE1-CD1 3.4Å
124	F	93	Very high	86.9	Confident	26 Å²	26	43.2 Å²	43.2	11%	0.114	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	143	176.4	-63.4	-83.6	0	0	0	110.1	L65 E66 T110 F111 L113 Y122	L65-F124 CarbonylContact O-C 3.53Å; L65-F124 VanDerWaalsContact O-CA 3.31Å; L65-F124 WeakPolarHBondContact O-CA 3.06Å; E66-F124 HydrophobicContact CG-CD1 4.48Å; E66-F124 HydrophobicContact CG-CE1 4.17Å; T110-F124 CarbonylContact C-O 3.35Å; T110-F124 VanDerWaalsContact CA-O 3.31Å; T110-F124 WeakPolarHBondContact CA-O 2.96Å; F111-F124 HydrophobicContact CD2-CB 3.99Å; F111-F124 HydrophobicContact CD2-CD2 4.37Å; F111-F124 HydrophobicContact CE1-CB 4.32Å; F111-F124 HydrophobicContact CE2-CB 3.61Å; F111-F124 HydrophobicContact CE2-CD2 4.11Å; F111-F124 HydrophobicContact CE2-CG 4.04Å; F111-F124 HydrophobicContact CG-CB 4.48Å; F111-F124 HydrophobicContact CZ-CB 3.8Å; F111-F124 PolarHBondContact N-O 3.26Å; F111-F124 PolarHBondContact O-N 2.96Å; L113-F124 HydrophobicContact CB-CD2 4.46Å; L113-F124 HydrophobicContact CB-CE2 4.03Å; L113-F124 HydrophobicContact CD1-CD2 4.12Å; L113-F124 HydrophobicContact CD1-CE2 3.82Å; L113-F124 HydrophobicContact CD1-CZ 4.25Å; L113-F124 HydrophobicContact CG-CD2 3.98Å; L113-F124 HydrophobicContact CG-CE2 3.91Å; Y122-F124 HydrophobicContact CD2-CE2 4.26Å; Y122-F124 AromaticContact CD2-CZ 3.78Å; Y122-F124 HydrophobicContact CD2-CZ 3.78Å; Y122-F124 HydrophobicContact CG-CZ 4.41Å
125	Q	94.7	Very high	86.3	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	120.9	166.6	-168.1	173.1	50.9	0	0	110.3	L65 W100 L101 S108 L109 T110 H127	L65-Q125 HydrophobicContact CB-CB 4.26Å; L65-Q125 HydrophobicContact CD1-CB 4.39Å; L65-Q125 WeakPolarHBondContact CD1-O 2.96Å; L65-Q125 PolarHBondContact N-O 3.48Å; L65-Q125 PolarHBondContact O-N 2.93Å; W100-Q125 VanDerWaalsContact CA-OE1 3.3Å; W100-Q125 HydrophobicContact CD2-CB 4.24Å; W100-Q125 HydrophobicContact CE3-CB 3.88Å; W100-Q125 HydrophobicContact CH2-CB 3.67Å; W100-Q125 HydrophobicContact CZ2-CB 4.02Å; W100-Q125 HydrophobicContact CZ3-CB 3.58Å; L101-Q125 PolarHBondContact O-NE2 3.44Å; S108-Q125 PolarHBondContact OG-NE2 3.34Å; L109-Q125 CarbonylContact O-C 3.5Å; L109-Q125 VanDerWaalsContact O-CA 3.26Å; L109-Q125 WeakPolarHBondContact O-CA 3.4Å; T110-Q125 PolarHBondContact OG1-NE2 2.78Å; Q125-H127 VanDerWaalsContact CD-NE2 3.29Å; Q125-H127 PolarHBondContact OE1-NE2 3.46Å
126	A	94.9	Very high	86.3	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	127	172	0	0	0	0	0	108.4	P61 W64 S108 L109 F111 F128	P61-A126 HydrophobicContact CB-CB 4.26Å; W64-A126 HydrophobicContact CE3-CB 3.81Å; W64-A126 HydrophobicContact CH2-CB 3.2Å; W64-A126 HydrophobicContact CZ2-CB 4.02Å; W64-A126 HydrophobicContact CZ3-CB 3.08Å; S108-A126 CarbonylContact C-O 3.45Å; S108-A126 WeakPolarHBondContact CA-O 3.06Å; L109-A126 HydrophobicContact CB-CB 4.29Å; L109-A126 PolarHBondContact N-O 2.91Å; L109-A126 PolarHBondContact O-N 3.39Å; F111-A126 HydrophobicContact CE1-CB 4.35Å; A126-F128 HydrophobicContact CB-CE2 3.74Å; A126-F128 HydrophobicContact CB-CZ 3.79Å
127	H	95.3	Very high	86.6	Confident	1 Å²	1	58 Å²	58	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	153.6	168.5	-65.5	178	0	0	0	111.4	P61 C62 V63 L65 P97 T99 K107 Q125	P61-H127 CarbonylContact C-O 3.5Å; P61-H127 WeakPolarHBondContact CA-O 3.46Å; P61-H127 WeakPolarHBondContact CB-O 3.38Å; C62-H127 PolarHBondContact N-O 2.81Å; C62-H127 PolarHBondContact SG-O 2.95Å; V63-H127 HydrophobicContact CG1-CB 3.58Å; V63-H127 WeakPolarHBondContact CG1-ND1 3.37Å; V63-H127 PolarHBondContact O-N 2.87Å; L65-H127 WeakPolarHBondContact CD1-CE1 3.38Å; L65-H127 WeakPolarHBondContact CD1-ND1 3.27Å; L65-H127 WeakPolarHBondContact CD1-NE2 3.32Å; P97-H127 PolarHBondContact O-CE1 3.18Å; P97-H127 PolarHBondContact O-ND1 3.43Å; T99-H127 PolarHBondContact O-CE1 2.88Å; K107-H127 CarbonylContact O-C 3.38Å; K107-H127 WeakPolarHBondContact O-CA 3.29Å; Q125-H127 VanDerWaalsContact CD-NE2 3.29Å; Q125-H127 PolarHBondContact OE1-NE2 3.46Å
128	F	93.7	Very high	87.3	Confident	8 Å²	8	62.3 Å²	62.3	4%	0.035	29%	0.29	C	S	.	.			trans	-127.9	150.4	178.2	-56.7	-90.2	0	0	0	110.3	L59 P61 K107 L109 A126 N130 I132 V160	L59-F128 HydrophobicContact CB-CD1 4.08Å; L59-F128 HydrophobicContact CB-CE1 3.92Å; P61-F128 HydrophobicContact CB-CE1 4.07Å; P61-F128 HydrophobicContact CB-CZ 4.3Å; K107-F128 WeakPolarHBondContact O-CD2 3.34Å; K107-F128 PolarHBondContact O-N 3.48Å; L109-F128 HydrophobicContact CD1-CE2 4.16Å; L109-F128 HydrophobicContact CD1-CZ 4.3Å; L109-F128 HydrophobicContact CG-CE2 4.1Å; A126-F128 HydrophobicContact CB-CE2 3.74Å; A126-F128 HydrophobicContact CB-CZ 3.79Å; F128-N130 VanDerWaalsContact C-N 3.26Å; F128-N130 WeakPolarHBondContact CB-O 3.03Å; F128-N130 PolarHBondContact O-N 2.77Å; F128-I132 HydrophobicContact CB-CG2 3.62Å; F128-I132 HydrophobicContact CD1-CG2 3.94Å; F128-I132 HydrophobicContact CD2-CB 4.48Å; F128-I132 HydrophobicContact CD2-CD1 3.94Å; F128-I132 HydrophobicContact CD2-CG2 3.29Å; F128-I132 HydrophobicContact CE2-CD1 3.92Å; F128-I132 HydrophobicContact CE2-CG2 3.95Å; F128-I132 HydrophobicContact CG-CG2 3.31Å; F128-V160 HydrophobicContact CE1-CG2 3.92Å; F128-V160 HydrophobicContact CE2-CG2 4.28Å; F128-V160 HydrophobicContact CZ-CB 4.35Å; F128-V160 HydrophobicContact CZ-CG2 3.36Å
129	C	91.8	Very high	88.3	Confident	14 Å²	14	64.6 Å²	64.6	10%	0.095	29%	0.294	C	S	.	.	S	Bend	trans	-62.7	-38.3	178	-59.4	0	0	0	0	111.9	C90 S94 K107	C90-C129 WeakPolarHBondContact CA-SG 3.39Å; C90-C129 HydrophobicContact CB-CB 3.73Å; C90-C129 WeakPolarHBondContact CB-SG 3.21Å; C90-C129 WeakPolarHBondContact SG-CA 3.21Å; C90-C129 WeakPolarHBondContact SG-CB 3.38Å; C90-C129 CovalentContact SG-SG 2.03Å; C90-C129 PolarHBondContact SG-SG 2.8Å; S94-C129 WeakPolarHBondContact CB-O 3.23Å; K107-C129 PolarHBondContact NZ-O 2.94Å
130	N	88.9	Confident	89.3	Confident	110 Å²	110	63.9 Å²	63.9	59%	0.588	29%	0.292	S	S	*	.	S	Bend	trans	-113.5	165.7	-177.2	-63.4	-43.2	0	0	0	110.8	F128 I132	F128-N130 VanDerWaalsContact C-N 3.26Å; F128-N130 WeakPolarHBondContact CB-O 3.03Å; F128-N130 PolarHBondContact O-N 2.77Å; N130-I132 PolarHBondContact O-N 2.91Å
131	R	91	Very high	90.2	Very high	184 Å²	184	64.3 Å²	64.3	69%	0.694	30%	0.302	S	S	*	.			trans	-61.4	132.4	174.3	-61.4	-176.9	176.3	170.8	-1.6	109.3	V106 K107	V106-R131 HydrophobicContact CB-CB 4.49Å; V106-R131 HydrophobicContact CB-CG 4.18Å; V106-R131 HydrophobicContact CG2-CG 3.79Å; V106-R131 CarbonylContact O-C 3.57Å; V106-R131 VanDerWaalsContact O-CA 3.27Å; V106-R131 WeakPolarHBondContact O-CA 3.36Å; K107-R131 HydrophobicContact CG-CG 4.39Å
132	I	91.4	Very high	91.1	Very high	19 Å²	19	67.3 Å²	67.3	10%	0.097	32%	0.316	C	S	.	.	S	Bend	trans	-94.4	-21.6	174.2	64.1	177.1	0	0	0	112.1	L59 V106 L109 F128 N130 I163	L59-I132 HydrophobicContact CD1-CB 4.28Å; L59-I132 HydrophobicContact CD1-CG2 3.96Å; V106-I132 PolarHBondContact O-N 3.31Å; L109-I132 HydrophobicContact CD1-CD1 4.1Å; L109-I132 HydrophobicContact CD2-CD1 3.46Å; L109-I132 VanDerWaalsContact CD2-CD1 3.46Å; L109-I132 HydrophobicContact CG-CD1 3.41Å; L109-I132 VanDerWaalsContact CG-CD1 3.41Å; F128-I132 HydrophobicContact CB-CG2 3.62Å; F128-I132 HydrophobicContact CD1-CG2 3.94Å; F128-I132 HydrophobicContact CD2-CB 4.48Å; F128-I132 HydrophobicContact CD2-CD1 3.94Å; F128-I132 HydrophobicContact CD2-CG2 3.29Å; F128-I132 HydrophobicContact CE2-CD1 3.92Å; F128-I132 HydrophobicContact CE2-CG2 3.95Å; F128-I132 HydrophobicContact CG-CG2 3.31Å; N130-I132 PolarHBondContact O-N 2.91Å; I132-I163 HydrophobicContact CB-CD1 3.62Å; I132-I163 HydrophobicContact CD1-CD1 4.01Å; I132-I163 HydrophobicContact CG1-CD1 4Å
133	Y	90.3	Very high	91.5	Very high	13 Å²	13	72.7 Å²	72.7	5%	0.051	34%	0.342	C	S	.	.	S	Bend	trans	-104.5	130.6	176.9	-62.2	-63.7	0	0	0	110.8	L109 H137 I163 R166	L109-Y133 HydrophobicContact CD2-CE2 4.2Å; L109-Y133 WeakPolarHBondContact CD2-OH 3.26Å; Y133-H137 HydrophobicContact CD1-CB 4.5Å; Y133-H137 AromaticContact CD1-ND1 3.61Å; Y133-I163 HydrophobicContact CD1-CG2 3.77Å; Y133-I163 HydrophobicContact CE1-CG2 3.39Å; Y133-R166 HydrophobicContact CD1-CG 3.39Å; Y133-R166 HydrophobicContact CD2-CG 4.12Å; Y133-R166 HydrophobicContact CE1-CB 4.16Å; Y133-R166 HydrophobicContact CE1-CG 3.4Å; Y133-R166 VanDerWaalsContact CE1-CG 3.4Å; Y133-R166 HydrophobicContact CE2-CG 4.15Å; Y133-R166 HydrophobicContact CG-CG 3.75Å
134	E	83.5	Confident	91.4	Very high	153 Å²	153	77.9 Å²	77.9	72%	0.715	37%	0.366	S	S	*	.			trans	-71.5	156.3	171	-63.1	-176.6	179.1	0	0	111.3	R136 H137 R166	E134-R136 PolarHBondContact O-N 3.07Å; E134-H137 HydrophobicContact CB-CB 4.42Å; E134-H137 VanDerWaalsContact O-CB 3.26Å; E134-H137 WeakPolarHBondContact O-CB 3.16Å; E134-H137 PolarHBondContact O-N 3.49Å; E134-R166 PolarHBondContact O-NH2 3.42Å
135	A	79.9	Confident	91.4	Very high	97 Å²	97	78.1 Å²	78.1	80%	0.802	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-35.1	-173.9	0	0	0	0	0	114.4
136	R	85.6	Confident	91.5	Very high	244 Å²	244	79.3 Å²	79.3	92%	0.921	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	18	-179.9	-62.2	-176.4	-178.3	172.6	0.5	113.7	E134 R138	E134-R136 PolarHBondContact O-N 3.07Å; R136-R138 PolarHBondContact O-N 3.46Å; R136-R138 VanDerWaalsContact O-N 3.17Å
137	H	89.4	Confident	91.6	Very high	38 Å²	38	80.5 Å²	80.5	18%	0.176	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-64	120	177.4	-153.3	149	0	0	0	109.1	Y133 E134 I163 N164 R166	Y133-H137 HydrophobicContact CD1-CB 4.5Å; Y133-H137 AromaticContact CD1-ND1 3.61Å; E134-H137 HydrophobicContact CB-CB 4.42Å; E134-H137 VanDerWaalsContact O-CB 3.26Å; E134-H137 WeakPolarHBondContact O-CB 3.16Å; E134-H137 PolarHBondContact O-N 3.49Å; H137-I163 VanDerWaalsContact CE1-CG2 3.44Å; H137-I163 WeakPolarHBondContact CE1-CG2 3.28Å; H137-N164 VanDerWaalsContact NE2-C 3.34Å; H137-N164 PolarHBondContact NE2-O 3.4Å; H137-N164 VanDerWaalsContact NE2-O 3.07Å; H137-R166 WeakPolarHBondContact O-CD 3.49Å; H137-R166 PolarHBondContact O-NE 3.17Å
138	R	93.9	Very high	91.7	Very high	118 Å²	118	80.5 Å²	80.5	45%	0.445	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-61.7	153.9	-176.1	69.8	178.7	-170.6	83.7	-4.8	112.8	R136 E146 C165 R166	R136-R138 PolarHBondContact O-N 3.46Å; R136-R138 VanDerWaalsContact O-N 3.17Å; R138-E146 IonicContact CZ-OE1 3.47Å; R138-E146 IonicContact NH1-OE1 3.64Å; R138-E146 PolarHBondContact NH1-OE1 2.74Å; R138-E146 IonicContact NH2-OE1 2.65Å; R138-E146 PolarHBondContact NH2-OE1 2.75Å; R138-C165 HydrophobicContact CG-CB 3.95Å; R138-C165 WeakPolarHBondContact O-CA 3.46Å; R138-C165 WeakPolarHBondContact O-CB 3.35Å; R138-R166 PolarHBondContact O-N 3.47Å
139	Y	95.1	Very high	91.8	Very high	111 Å²	111	80.2 Å²	80.2	44%	0.435	39%	0.386	S	S	.	.	B	Isolated β-bridge	trans	-75.7	153.3	162.9	-65.8	-83.5	0	0	0	110.4	R166 L168	Y139-R166 WeakPolarHBondContact CA-O 3.31Å; Y139-R166 HydrophobicContact CD1-CB 3.68Å; Y139-R166 HydrophobicContact CE1-CB 3.97Å; Y139-R166 HydrophobicContact CG-CB 4.37Å; Y139-L168 HydrophobicContact CD1-CD2 3.67Å; Y139-L168 HydrophobicContact CD1-CG 3.82Å; Y139-L168 HydrophobicContact CE1-CD2 3.39Å; Y139-L168 HydrophobicContact CE1-CG 4.08Å
140	C	96	Very high	92	Very high	17 Å²	17	80.5 Å²	80.5	12%	0.115	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-69.6	146.4	174.2	-59.3	0	0	0	0	110.3	M142 E146 A148 C165 R166 C198	C140-M142 PolarHBondContact O-N 3.04Å; C140-E146 WeakPolarHBondContact CA-OE2 3.06Å; C140-E146 VanDerWaalsContact CB-OE2 3.23Å; C140-E146 WeakPolarHBondContact CB-OE2 3.4Å; C140-A148 VanDerWaalsContact SG-CB 3.58Å; C140-C165 WeakPolarHBondContact CA-SG 3.16Å; C140-C165 HydrophobicContact CB-CB 4.02Å; C140-C165 WeakPolarHBondContact CB-SG 3.24Å; C140-C165 WeakPolarHBondContact SG-CB 3.29Å; C140-C165 CovalentContact SG-SG 2.02Å; C140-C165 PolarHBondContact SG-SG 3.4Å; C140-R166 PolarHBondContact N-O 3.21Å; C140-R166 PolarHBondContact SG-O 2.02Å; C140-R166 VanDerWaalsContact SG-O 3.42Å; C140-C198 HydrophobicContact CB-CB 4.15Å; C140-C198 WeakPolarHBondContact CB-SG 3.48Å; C140-C198 PolarHBondContact SG-SG 3.09Å
141	T	95.1	Very high	92.3	Very high	73 Å²	73	75.3 Å²	75.3	45%	0.448	36%	0.358	S	S	.	.			trans	-75.6	-15.9	177.1	59.8	0	0	0	0	112	E143 E146	T141-E143 PolarHBondContact O-N 2.76Å; T141-E143 WeakPolarHBondContact OG1-CG 3.17Å; T141-E143 PolarHBondContact OG1-N 2.87Å; T141-E146 PolarHBondContact N-OE1 2.89Å; T141-E146 PolarHBondContact N-OE2 2.82Å; T141-E146 PolarHBondContact OG1-OE2 3.39Å; T141-E146 VanDerWaalsContact OG1-OE2 3.07Å
142	M	92.4	Very high	92.5	Very high	122 Å²	122	69.7 Å²	69.7	60%	0.601	34%	0.337	S	S	*	.			trans	68.3	17.1	-175.3	-49.9	176.1	-72.6	0	0	113	C140 E146 A199	C140-M142 PolarHBondContact O-N 3.04Å; M142-E146 PolarHBondContact N-OE2 2.97Å; M142-A199 WeakPolarHBondContact O-CB 3.27Å
143	E	93.5	Very high	92.4	Very high	132 Å²	132	71.6 Å²	71.6	62%	0.617	35%	0.345	S	S	*	.			trans	-67.8	145.5	171.9	-72.1	173.2	-179.3	0	0	111.1	T141 G145 E146	T141-E143 PolarHBondContact O-N 2.76Å; T141-E143 WeakPolarHBondContact OG1-CG 3.17Å; T141-E143 PolarHBondContact OG1-N 2.87Å; E143-G145 PolarHBondContact O-N 3.47Å; E143-E146 WeakPolarHBondContact O-CB 3.35Å; E143-E146 PolarHBondContact O-N 2.89Å; E143-E146 VanDerWaalsContact O-N 3.12Å
144	E	90.9	Very high	92.2	Very high	155 Å²	155	73.2 Å²	73.2	72%	0.724	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	131.9	177.9	-170.4	-178.1	171.7	0	0	110.9	E146	E144-E146 VanDerWaalsContact C-N 3.27Å; E144-E146 PolarHBondContact O-N 2.84Å
145	G	91.8	Very high	92.1	Very high	31 Å²	31	69 Å²	69	32%	0.32	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	-6.6	-178.2	0	0	0	0	0	114.7	E143 I147	E143-G145 PolarHBondContact O-N 3.47Å; G145-I147 PolarHBondContact O-N 2.78Å
146	E	96.4	Very high	92.1	Very high	26 Å²	26	69.6 Å²	69.6	12%	0.121	35%	0.346	C	S	.	.			trans	-65.8	118.2	171.3	-170.6	-174.2	-155.7	0	0	109.9	R138 C140 T141 M142 E143 E144 T197	R138-E146 IonicContact CZ-OE1 3.47Å; R138-E146 IonicContact NH1-OE1 3.64Å; R138-E146 PolarHBondContact NH1-OE1 2.74Å; R138-E146 IonicContact NH2-OE1 2.65Å; R138-E146 PolarHBondContact NH2-OE1 2.75Å; C140-E146 WeakPolarHBondContact CA-OE2 3.06Å; C140-E146 VanDerWaalsContact CB-OE2 3.23Å; C140-E146 WeakPolarHBondContact CB-OE2 3.4Å; T141-E146 PolarHBondContact N-OE1 2.89Å; T141-E146 PolarHBondContact N-OE2 2.82Å; T141-E146 PolarHBondContact OG1-OE2 3.39Å; T141-E146 VanDerWaalsContact OG1-OE2 3.07Å; M142-E146 PolarHBondContact N-OE2 2.97Å; E143-E146 WeakPolarHBondContact O-CB 3.35Å; E143-E146 PolarHBondContact O-N 2.89Å; E143-E146 VanDerWaalsContact O-N 3.12Å; E144-E146 VanDerWaalsContact C-N 3.27Å; E144-E146 PolarHBondContact O-N 2.84Å; E146-T197 WeakPolarHBondContact O-CB 3.3Å; E146-T197 PolarHBondContact O-OG1 2.89Å
147	I	97.3	Very high	92	Very high	25 Å²	25	60 Å²	60	13%	0.128	31%	0.31	C	S	.	.			trans	-86.7	117.6	175.7	-54.7	-47.1	0	0	0	109.2	G145 N164 E174 H195 M196	G145-I147 PolarHBondContact O-N 2.78Å; I147-N164 VanDerWaalsContact O-CB 3.25Å; I147-N164 WeakPolarHBondContact O-CB 3.27Å; I147-N164 PolarHBondContact O-ND2 3.39Å; I147-E174 HydrophobicContact CD1-CB 3.73Å; I147-E174 HydrophobicContact CD1-CG 3.5Å; I147-H195 HydrophobicContact CD1-CB 3.73Å; I147-H195 HydrophobicContact CG1-CB 4.23Å; I147-H195 HydrophobicContact CG2-CB 3.97Å; I147-M196 CarbonylContact C-O 3.52Å; I147-M196 WeakPolarHBondContact CA-O 3.39Å
148	A	97	Very high	92	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.307	C	S	.	.			trans	-75.3	-49.2	176	0	0	0	0	0	112.1	C140 N164 C165 M196 C198	C140-A148 VanDerWaalsContact SG-CB 3.58Å; A148-N164 PolarHBondContact O-N 2.78Å; A148-C165 PolarHBondContact O-N 2.78Å; A148-C165 VanDerWaalsContact O-N 3.13Å; A148-M196 PolarHBondContact N-O 2.82Å; A148-C198 VanDerWaalsContact CB-SG 3.53Å
149	F	96.3	Very high	91.9	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.009	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	163	177.4	55.2	-90.1	0	0	0	110.9	L109 F111 L151 R162 I163 A171 M196	L109-F149 HydrophobicContact CB-CE2 4.49Å; L109-F149 HydrophobicContact CB-CZ 4.27Å; L109-F149 HydrophobicContact CD1-CD2 3.88Å; L109-F149 HydrophobicContact CD1-CE2 3.95Å; L109-F149 HydrophobicContact CD1-CG 4.19Å; L109-F149 HydrophobicContact CD1-CZ 4.35Å; L109-F149 HydrophobicContact CD2-CD1 4.07Å; L109-F149 HydrophobicContact CD2-CE1 4.04Å; L109-F149 HydrophobicContact CD2-CG 4.44Å; L109-F149 HydrophobicContact CD2-CZ 4.37Å; F111-F149 HydrophobicContact CB-CZ 4.15Å; F111-F149 HydrophobicContact CD1-CE2 4.22Å; F111-F149 HydrophobicContact CD1-CZ 4.24Å; F149-L151 HydrophobicContact CD2-CD2 4Å; F149-L151 HydrophobicContact CD2-CG 4.13Å; F149-L151 HydrophobicContact CE2-CD1 4.3Å; F149-L151 HydrophobicContact CE2-CD2 4Å; F149-L151 HydrophobicContact CE2-CG 4.04Å; F149-R162 CarbonylContact C-O 3.58Å; F149-R162 WeakPolarHBondContact CA-O 3.22Å; F149-R162 WeakPolarHBondContact CB-O 3.47Å; F149-I163 HydrophobicContact CB-CG1 4.26Å; F149-A171 HydrophobicContact CE1-CB 3.61Å; F149-A171 HydrophobicContact CZ-CB 3.64Å; F149-M196 HydrophobicContact CD1-CB 4.28Å; F149-M196 HydrophobicContact CD2-CB 3.86Å; F149-M196 HydrophobicContact CD2-CG 3.69Å; F149-M196 HydrophobicContact CE1-CB 4.03Å; F149-M196 HydrophobicContact CE2-CB 3.62Å; F149-M196 HydrophobicContact CE2-CG 3.31Å; F149-M196 HydrophobicContact CG-CB 4.2Å; F149-M196 HydrophobicContact CZ-CB 3.7Å; F149-M196 HydrophobicContact CZ-CG 3.82Å; F149-M196 PolarHBondContact O-N 2.87Å
150	E	97	Very high	91.8	Very high	21 Å²	21	48.6 Å²	48.6	10%	0.098	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	124.6	179.4	-177.1	178.1	142.7	0	0	109.7	V160 D161 R162 Y193 I194 H195	E150-V160 CarbonylContact O-C 3.53Å; E150-D161 HydrophobicContact CG-CB 4.38Å; E150-D161 PolarHBondContact O-N 2.97Å; E150-R162 HydrophobicContact CB-CB 4.1Å; E150-R162 PolarHBondContact N-O 2.87Å; E150-Y193 WeakPolarHBondContact OE1-CD1 3.36Å; E150-I194 WeakPolarHBondContact CA-O 3.2Å; E150-H195 IonicContact OE2-CD2 3.17Å; E150-H195 PolarHBondContact OE2-CD2 2.9Å; E150-H195 IonicContact OE2-NE2 3.39Å; E150-H195 PolarHBondContact OE2-NE2 2.83Å
151	L	95.5	Very high	91.6	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	143.3	168.6	-54.4	173.6	0	0	0	109.7	F111 F149 M159 V160 Y193 I194 M196	F111-L151 HydrophobicContact CD1-CD1 4.25Å; F111-L151 HydrophobicContact CD2-CD1 4.12Å; F111-L151 HydrophobicContact CE1-CD1 3.84Å; F111-L151 HydrophobicContact CE2-CD1 3.74Å; F111-L151 HydrophobicContact CG-CD1 4.37Å; F111-L151 HydrophobicContact CZ-CD1 3.58Å; F149-L151 HydrophobicContact CD2-CD2 4Å; F149-L151 HydrophobicContact CD2-CG 4.13Å; F149-L151 HydrophobicContact CE2-CD1 4.3Å; F149-L151 HydrophobicContact CE2-CD2 4Å; F149-L151 HydrophobicContact CE2-CG 4.04Å; L151-M159 CarbonylContact C-O 3.57Å; L151-M159 WeakPolarHBondContact CA-O 3.2Å; L151-V160 HydrophobicContact CD2-CG2 3.74Å; L151-Y193 CarbonylContact O-C 3.48Å; L151-Y193 WeakPolarHBondContact O-CA 3.45Å; L151-I194 HydrophobicContact CB-CB 4.13Å; L151-I194 HydrophobicContact CB-CD1 4.48Å; L151-I194 HydrophobicContact CB-CG1 4.43Å; L151-I194 PolarHBondContact N-O 3.44Å; L151-I194 PolarHBondContact O-N 2.84Å; L151-M196 HydrophobicContact CD1-CG 4.18Å; L151-M196 HydrophobicContact CD1-SD 4.36Å; L151-M196 HydrophobicContact CG-CG 4.24Å
152	R	94.1	Very high	91.4	Very high	66 Å²	66	53.4 Å²	53.4	25%	0.249	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	120.9	172.6	-169.3	177.6	178.6	173.5	1.9	110	I154 M159 D161 N192 Y193	R152-I154 HydrophobicContact CG-CD1 3.88Å; R152-I154 HydrophobicContact CG-CG1 4.03Å; R152-M159 PolarHBondContact N-O 3.25Å; R152-M159 PolarHBondContact O-N 3.25Å; R152-D161 HydrophobicContact CB-CB 4.34Å; R152-N192 CarbonylContact C-O 3.51Å; R152-N192 VanDerWaalsContact CA-O 3.31Å; R152-N192 WeakPolarHBondContact CA-O 3.49Å; R152-Y193 HydrophobicContact CB-CD1 4.43Å; R152-Y193 HydrophobicContact CG-CD1 4.08Å; R152-Y193 HydrophobicContact CG-CE1 3.87Å
153	Q	90	Very high	91.5	Very high	59 Å²	59	48.9 Å²	48.9	28%	0.276	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	127.6	176.2	-170.3	178.4	-19.7	0	0	111.5	G155 W157 L158 N192	Q153-G155 PolarHBondContact NE2-O 3.26Å; Q153-W157 CarbonylContact C-O 3.55Å; Q153-W157 VanDerWaalsContact CA-O 3.29Å; Q153-W157 WeakPolarHBondContact CA-O 3.31Å; Q153-L158 HydrophobicContact CB-CD2 3.66Å; Q153-L158 HydrophobicContact CG-CD2 3.95Å; Q153-N192 PolarHBondContact N-O 3.08Å
154	I	84.6	Confident	91.5	Very high	48 Å²	48	45.3 Å²	45.3	25%	0.246	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	103.3	-177.7	-54.4	-177.6	0	0	0	108.6	W55 R152 T156 W157 M159	W55-I154 HydrophobicContact CE3-CD1 3.88Å; W55-I154 HydrophobicContact CH2-CD1 2.95Å; W55-I154 HydrophobicContact CH2-CG1 4.18Å; W55-I154 HydrophobicContact CH2-CG2 4.05Å; W55-I154 HydrophobicContact CZ2-CD1 3.92Å; W55-I154 HydrophobicContact CZ2-CG2 4.17Å; W55-I154 HydrophobicContact CZ3-CD1 2.92Å; W55-I154 HydrophobicContact CZ3-CG1 4.38Å; R152-I154 HydrophobicContact CG-CD1 3.88Å; R152-I154 HydrophobicContact CG-CG1 4.03Å; I154-T156 PolarHBondContact O-N 3.34Å; I154-T156 VanDerWaalsContact O-N 3.17Å; I154-W157 PolarHBondContact N-O 3.35Å; I154-W157 WeakPolarHBondContact O-CB 2.84Å; I154-W157 PolarHBondContact O-N 3Å; I154-M159 HydrophobicContact CB-CE 4.31Å; I154-M159 HydrophobicContact CD1-CE 3.16Å; I154-M159 HydrophobicContact CG1-CE 3.93Å
155	G	83.3	Confident	91.7	Very high	64 Å²	64	38 Å²	38	66%	0.66	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	-119.6	-166	0	0	0	0	0	110.1	Q153	Q153-G155 PolarHBondContact NE2-O 3.26Å
156	T	78.7	Confident	91.9	Very high	109 Å²	109	37.9 Å²	37.9	67%	0.669	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.5	6.4	178.5	59.6	0	0	0	0	113.6	R87 I154	R87-T156 PolarHBondContact NH1-O 2.75Å; R87-T156 PolarHBondContact NH2-O 2.93Å; I154-T156 PolarHBondContact O-N 3.34Å; I154-T156 VanDerWaalsContact O-N 3.17Å
157	W	83	Confident	91.8	Very high	43 Å²	43	36.9 Å²	36.9	16%	0.163	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	133.2	178.2	-65.4	81.6	0	0	0	110.3	T60 R87 Q153 I154 M159	T60-W157 HydrophobicContact CG2-CE3 4.09Å; T60-W157 HydrophobicContact CG2-CZ3 3.66Å; R87-W157 HydrophobicContact CB-CE3 4.46Å; R87-W157 HydrophobicContact CB-CH2 4.12Å; R87-W157 HydrophobicContact CB-CZ3 3.67Å; R87-W157 HydrophobicContact CG-CZ3 4.23Å; R87-W157 WeakPolarHBondContact O-CH2 3.42Å; R87-W157 WeakPolarHBondContact O-CZ3 3.4Å; Q153-W157 CarbonylContact C-O 3.55Å; Q153-W157 VanDerWaalsContact CA-O 3.29Å; Q153-W157 WeakPolarHBondContact CA-O 3.31Å; I154-W157 PolarHBondContact N-O 3.35Å; I154-W157 WeakPolarHBondContact O-CB 2.84Å; I154-W157 PolarHBondContact O-N 3Å; W157-M159 HydrophobicContact CB-CG 4.5Å
158	L	90.1	Very high	91.5	Very high	23 Å²	23	41 Å²	41	12%	0.12	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.8	158.9	-70.4	168.6	0	0	0	106.3	P61 W64 F111 L113 Q153 I194	P61-L158 WeakPolarHBondContact CD-O 3.43Å; P61-L158 WeakPolarHBondContact CG-O 3.44Å; W64-L158 HydrophobicContact CH2-CB 4.06Å; W64-L158 HydrophobicContact CZ2-CB 3.48Å; W64-L158 VanDerWaalsContact CZ2-CB 3.48Å; W64-L158 VanDerWaalsContact CZ2-O 3.25Å; W64-L158 WeakPolarHBondContact CZ2-O 3.37Å; F111-L158 HydrophobicContact CZ-CD1 4.48Å; L113-L158 HydrophobicContact CD1-CD1 3.89Å; Q153-L158 HydrophobicContact CB-CD2 3.66Å; Q153-L158 HydrophobicContact CG-CD2 3.95Å; L158-I194 HydrophobicContact CD2-CD1 3.67Å
159	M	91.2	Very high	91.3	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.015	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	156	176.7	-62.4	-179.2	-63.3	0	0	108.4	W55 L151 R152 I154 W157	W55-M159 HydrophobicContact CD2-CE 4.17Å; W55-M159 HydrophobicContact CE3-CE 3.57Å; W55-M159 HydrophobicContact CH2-CE 4.48Å; W55-M159 HydrophobicContact CZ3-CE 3.8Å; L151-M159 CarbonylContact C-O 3.57Å; L151-M159 WeakPolarHBondContact CA-O 3.2Å; R152-M159 PolarHBondContact N-O 3.25Å; R152-M159 PolarHBondContact O-N 3.25Å; I154-M159 HydrophobicContact CB-CE 4.31Å; I154-M159 HydrophobicContact CD1-CE 3.16Å; I154-M159 HydrophobicContact CG1-CE 3.93Å; W157-M159 HydrophobicContact CB-CG 4.5Å
160	V	93.4	Very high	91.2	Very high	2 Å²	2	45 Å²	45	1%	0.012	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	117.4	175.6	-179.2	0	0	0	0	108.3	S58 L59 L109 F128 E150 L151 I163	S58-V160 CarbonylContact C-O 3.54Å; S58-V160 VanDerWaalsContact CA-O 3.27Å; S58-V160 WeakPolarHBondContact CA-O 3.27Å; L59-V160 HydrophobicContact CB-CB 4.22Å; L59-V160 PolarHBondContact N-O 2.93Å; L59-V160 PolarHBondContact O-N 3.29Å; L109-V160 HydrophobicContact CD1-CB 4.44Å; L109-V160 HydrophobicContact CD1-CG1 4.22Å; L109-V160 HydrophobicContact CD1-CG2 3.35Å; F128-V160 HydrophobicContact CE1-CG2 3.92Å; F128-V160 HydrophobicContact CE2-CG2 4.28Å; F128-V160 HydrophobicContact CZ-CB 4.35Å; F128-V160 HydrophobicContact CZ-CG2 3.36Å; E150-V160 CarbonylContact O-C 3.53Å; L151-V160 HydrophobicContact CD2-CG2 3.74Å; V160-I163 HydrophobicContact CG1-CD1 4Å; V160-I163 HydrophobicContact CG1-CG1 3.54Å
161	D	91.7	Very high	91.2	Very high	46 Å²	46	44 Å²	44	25%	0.246	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-34.4	179	-153.7	51.6	0	0	0	112	S58 E150 R152	S58-D161 PolarHBondContact OG-OD1 3.4Å; E150-D161 HydrophobicContact CG-CB 4.38Å; E150-D161 PolarHBondContact O-N 2.97Å; R152-D161 HydrophobicContact CB-CB 4.34Å
162	R	92.2	Very high	91.2	Very high	144 Å²	144	45.6 Å²	45.6	54%	0.543	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	145.7	-178	-166.6	-177.6	-57.3	-169.3	4	111.6	F149 E150 N164	F149-R162 CarbonylContact C-O 3.58Å; F149-R162 WeakPolarHBondContact CA-O 3.22Å; F149-R162 WeakPolarHBondContact CB-O 3.47Å; E150-R162 HydrophobicContact CB-CB 4.1Å; E150-R162 PolarHBondContact N-O 2.87Å; R162-N164 WeakPolarHBondContact CD-OD1 3.49Å; R162-N164 WeakPolarHBondContact CG-OD1 3.31Å
163	I	93.7	Very high	91.3	Very high	28 Å²	28	42.7 Å²	42.7	14%	0.144	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	121.1	170.9	-57.1	177.1	0	0	0	108	L59 I132 Y133 H137 F149 V160	L59-I163 HydrophobicContact CD1-CD1 4.24Å; I132-I163 HydrophobicContact CB-CD1 3.62Å; I132-I163 HydrophobicContact CD1-CD1 4.01Å; I132-I163 HydrophobicContact CG1-CD1 4Å; Y133-I163 HydrophobicContact CD1-CG2 3.77Å; Y133-I163 HydrophobicContact CE1-CG2 3.39Å; H137-I163 VanDerWaalsContact CE1-CG2 3.44Å; H137-I163 WeakPolarHBondContact CE1-CG2 3.28Å; F149-I163 HydrophobicContact CB-CG1 4.26Å; V160-I163 HydrophobicContact CG1-CD1 4Å; V160-I163 HydrophobicContact CG1-CG1 3.54Å
164	N	94.4	Very high	91.7	Very high	57 Å²	57	40 Å²	40	31%	0.305	22%	0.224	S	C	.	.			trans	-102.2	-38.5	-179.3	-58.3	-34.4	0	0	0	111.7	H137 I147 A148 R162	H137-N164 VanDerWaalsContact NE2-C 3.34Å; H137-N164 PolarHBondContact NE2-O 3.4Å; H137-N164 VanDerWaalsContact NE2-O 3.07Å; I147-N164 VanDerWaalsContact O-CB 3.25Å; I147-N164 WeakPolarHBondContact O-CB 3.27Å; I147-N164 PolarHBondContact O-ND2 3.39Å; A148-N164 PolarHBondContact O-N 2.78Å; R162-N164 WeakPolarHBondContact CD-OD1 3.49Å; R162-N164 WeakPolarHBondContact CG-OD1 3.31Å
165	C	94.7	Very high	92.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	-156.7	169.9	178.8	56.8	0	0	0	0	112.2	R138 C140 A148	R138-C165 HydrophobicContact CG-CB 3.95Å; R138-C165 WeakPolarHBondContact O-CA 3.46Å; R138-C165 WeakPolarHBondContact O-CB 3.35Å; C140-C165 WeakPolarHBondContact CA-SG 3.16Å; C140-C165 HydrophobicContact CB-CB 4.02Å; C140-C165 WeakPolarHBondContact CB-SG 3.24Å; C140-C165 WeakPolarHBondContact SG-CB 3.29Å; C140-C165 CovalentContact SG-SG 2.02Å; C140-C165 PolarHBondContact SG-SG 3.4Å; A148-C165 PolarHBondContact O-N 2.78Å; A148-C165 VanDerWaalsContact O-N 3.13Å
166	R	94.5	Very high	92.9	Very high	29 Å²	29	40 Å²	40	11%	0.109	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-92.3	130.8	179.8	-64.8	171.8	177.5	-169.6	2.6	111.6	Y133 E134 H137 R138 Y139 C140	Y133-R166 HydrophobicContact CD1-CG 3.39Å; Y133-R166 HydrophobicContact CD2-CG 4.12Å; Y133-R166 HydrophobicContact CE1-CB 4.16Å; Y133-R166 HydrophobicContact CE1-CG 3.4Å; Y133-R166 VanDerWaalsContact CE1-CG 3.4Å; Y133-R166 HydrophobicContact CE2-CG 4.15Å; Y133-R166 HydrophobicContact CG-CG 3.75Å; E134-R166 PolarHBondContact O-NH2 3.42Å; H137-R166 WeakPolarHBondContact O-CD 3.49Å; H137-R166 PolarHBondContact O-NE 3.17Å; R138-R166 PolarHBondContact O-N 3.47Å; Y139-R166 WeakPolarHBondContact CA-O 3.31Å; Y139-R166 HydrophobicContact CD1-CB 3.68Å; Y139-R166 HydrophobicContact CE1-CB 3.97Å; Y139-R166 HydrophobicContact CG-CB 4.37Å; C140-R166 PolarHBondContact N-O 3.21Å; C140-R166 PolarHBondContact SG-O 2.02Å; C140-R166 VanDerWaalsContact SG-O 3.42Å
167	C	94.6	Very high	93.7	Very high	6 Å²	6	35.3 Å²	35.3	4%	0.041	18%	0.175	C	C	.	.			trans	-81.7	141.7	163.6	-62.2	0	0	0	0	110.2	G169 C198	C167-G169 VanDerWaalsContact CB-O 3.31Å; C167-G169 WeakPolarHBondContact CB-O 3.43Å; C167-C198 WeakPolarHBondContact CA-SG 3.31Å; C167-C198 HydrophobicContact CB-CB 3.89Å; C167-C198 WeakPolarHBondContact CB-SG 3.31Å; C167-C198 WeakPolarHBondContact SG-CB 3.26Å; C167-C198 CovalentContact SG-SG 2.02Å; C167-C198 PolarHBondContact SG-SG 3.09Å
168	L	91.5	Very high	94.2	Very high	111 Å²	111	33.9 Å²	33.9	58%	0.581	17%	0.169	S	C	*	.	S	Bend	trans	-82.8	-24.5	166	-71.6	171.1	0	0	0	111.9	T103 Y139	T103-L168 WeakPolarHBondContact CB-O 3.15Å; T103-L168 PolarHBondContact OG1-O 3.29Å; Y139-L168 HydrophobicContact CD1-CD2 3.67Å; Y139-L168 HydrophobicContact CD1-CG 3.82Å; Y139-L168 HydrophobicContact CE1-CD2 3.39Å; Y139-L168 HydrophobicContact CE1-CG 4.08Å
169	G	93.3	Very high	94.3	Very high	37 Å²	37	36.5 Å²	36.5	38%	0.381	19%	0.19	S	C	.	.	S	Bend	trans	-118.9	-160.7	178.7	0	0	0	0	0	112.9	C167	C167-G169 VanDerWaalsContact CB-O 3.31Å; C167-G169 WeakPolarHBondContact CB-O 3.43Å
170	I	94.3	Very high	94.3	Very high	50 Å²	50	43.5 Å²	43.5	26%	0.256	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-78.6	128.6	179	-55.2	168.3	0	0	0	108.7	T103 T110 K112 E123	T103-I170 HydrophobicContact CG2-CG1 4.38Å; T110-I170 HydrophobicContact CG2-CB 4.45Å; T110-I170 HydrophobicContact CG2-CG1 3.89Å; T110-I170 HydrophobicContact CG2-CG2 4.19Å; K112-I170 HydrophobicContact CD-CG2 4.17Å; K112-I170 HydrophobicContact CG-CG2 3.8Å; E123-I170 HydrophobicContact CG-CD1 4.14Å; E123-I170 WeakPolarHBondContact OE1-CD1 3.4Å
171	A	96.1	Very high	94.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-79.8	139.8	178	0	0	0	0	0	111.8	T110 F111 K112 F149 M196 T197	T110-A171 PolarHBondContact O-N 3.39Å; F111-A171 CarbonylContact C-O 3.52Å; F111-A171 WeakPolarHBondContact CA-O 3.32Å; F111-A171 HydrophobicContact CB-CB 4.08Å; F111-A171 WeakPolarHBondContact CB-O 3.22Å; K112-A171 PolarHBondContact N-O 3.01Å; F149-A171 HydrophobicContact CE1-CB 3.61Å; F149-A171 HydrophobicContact CZ-CB 3.64Å; A171-M196 HydrophobicContact CB-CB 4.06Å; A171-T197 CarbonylContact C-O 3.5Å; A171-T197 VanDerWaalsContact CA-O 3.28Å; A171-T197 WeakPolarHBondContact CA-O 3.27Å; A171-T197 WeakPolarHBondContact CB-O 3.31Å
172	D	95.8	Very high	94.3	Very high	32 Å²	32	42.3 Å²	42.3	17%	0.171	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	165.4	174.1	-75.3	-51.4	0	0	0	110.9	E174 M196 T197 K201	D172-E174 PolarHBondContact O-N 3.33Å; D172-M196 CarbonylContact O-C 3.54Å; D172-M196 VanDerWaalsContact O-CA 3.27Å; D172-M196 WeakPolarHBondContact O-CA 3.02Å; D172-T197 PolarHBondContact N-O 3.01Å; D172-T197 PolarHBondContact O-N 3.47Å; D172-K201 HydrophobicContact CB-CG 4.28Å
173	V	96.4	Very high	94.1	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.03	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	124.4	174.4	-176.9	0	0	0	0	109.7	L113 Y176 I194 M196 V226	L113-V173 HydrophobicContact CD2-CG2 4.4Å; V173-Y176 HydrophobicContact CB-CE2 4.44Å; V173-Y176 HydrophobicContact CG1-CD2 3.88Å; V173-Y176 HydrophobicContact CG1-CE2 3.55Å; V173-Y176 HydrophobicContact CG2-CE2 4.39Å; V173-I194 HydrophobicContact CG1-CG2 4Å; V173-I194 HydrophobicContact CG2-CG2 4.06Å; V173-M196 HydrophobicContact CB-SD 4.5Å; V173-M196 HydrophobicContact CG2-CE 3.94Å; V173-M196 HydrophobicContact CG2-SD 3.99Å; V173-V226 HydrophobicContact CB-CG2 4.23Å; V173-V226 HydrophobicContact CG1-CG2 3.82Å; V173-V226 WeakPolarHBondContact O-CB 3.06Å
174	E	97.4	Very high	93.7	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.009	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-47.4	168.8	175.6	59.4	-149.8	0	0	110.8	I147 D172 H195 T197 K201 R225 V226	I147-E174 HydrophobicContact CD1-CB 3.73Å; I147-E174 HydrophobicContact CD1-CG 3.5Å; D172-E174 PolarHBondContact O-N 3.33Å; E174-H195 WeakPolarHBondContact CB-O 3.5Å; E174-H195 PolarHBondContact N-O 3.05Å; E174-T197 HydrophobicContact CB-CG2 3.89Å; E174-K201 IonicContact OE1-NZ 2.71Å; E174-K201 WeakPolarHBondContact OE2-CE 3.5Å; E174-K201 IonicContact OE2-NZ 3.79Å; E174-K201 PolarHBondContact OE2-NZ 3.35Å; E174-R225 IonicContact OE1-CZ 2.8Å; E174-R225 IonicContact OE1-NE 3.65Å; E174-R225 PolarHBondContact OE1-NE 2.93Å; E174-R225 IonicContact OE1-NH2 2.73Å; E174-R225 PolarHBondContact OE1-NH2 2.96Å; E174-V226 PolarHBondContact O-N 2.81Å
175	R	96.9	Very high	93.2	Very high	109 Å²	109	45.2 Å²	45.2	41%	0.411	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	155.2	-176	59.8	177.3	-175.8	168.9	8	111.9	H195 G224 R225	R175-H195 HydrophobicContact CG-CB 3.65Å; R175-H195 VanDerWaalsContact CG-ND1 3.31Å; R175-H195 WeakPolarHBondContact CG-ND1 3.43Å; R175-H195 PolarHBondContact N-O 2.77Å; R175-H195 PolarHBondContact NE-ND1 2.75Å; R175-H195 PolarHBondContact NH2-CE1 2.68Å; R175-H195 PolarHBondContact O-N 3.31Å; R175-G224 CarbonylContact C-O 3.51Å; R175-G224 WeakPolarHBondContact CA-O 3.37Å; R175-G224 WeakPolarHBondContact CB-O 3.09Å; R175-R225 HydrophobicContact CB-CG 4.15Å
176	Y	96.8	Very high	92.7	Very high	3 Å²	3	46.8 Å²	46.8	1%	0.012	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	142.5	167.5	-71.7	-90.8	0	0	0	110.5	I114 V173 F189 Y193 I194 Y211 G223 G224 I238	I114-Y176 HydrophobicContact CD1-CE2 4Å; I114-Y176 HydrophobicContact CG1-CE2 3.69Å; I114-Y176 PolarHBondContact O-OH 3.42Å; V173-Y176 HydrophobicContact CB-CE2 4.44Å; V173-Y176 HydrophobicContact CG1-CD2 3.88Å; V173-Y176 HydrophobicContact CG1-CE2 3.55Å; V173-Y176 HydrophobicContact CG2-CE2 4.39Å; Y176-F189 AromaticContact CD1-CE1 3.95Å; Y176-F189 HydrophobicContact CD1-CE1 3.95Å; Y176-F189 AromaticContact CD1-CZ 3.67Å; Y176-F189 HydrophobicContact CD1-CZ 3.67Å; Y176-F189 AromaticContact CD2-CZ 3.96Å; Y176-F189 HydrophobicContact CD2-CZ 3.96Å; Y176-F189 HydrophobicContact CE1-CE1 4.17Å; Y176-F189 HydrophobicContact CE1-CZ 4.2Å; Y176-F189 HydrophobicContact CE2-CZ 4.47Å; Y176-F189 HydrophobicContact CG-CE1 4.29Å; Y176-F189 AromaticContact CG-CZ 3.54Å; Y176-F189 HydrophobicContact CG-CZ 3.54Å; Y176-Y193 CarbonylContact C-O 3.57Å; Y176-Y193 VanDerWaalsContact CA-O 3.3Å; Y176-Y193 WeakPolarHBondContact CA-O 3.47Å; Y176-I194 HydrophobicContact CD1-CB 4.23Å; Y176-I194 HydrophobicContact CD1-CD1 4.47Å; Y176-I194 HydrophobicContact CD1-CG1 3.81Å; Y176-I194 HydrophobicContact CD1-CG2 3.97Å; Y176-I194 HydrophobicContact CE1-CB 4.13Å; Y176-I194 HydrophobicContact CE1-CD1 3.81Å; Y176-I194 HydrophobicContact CE1-CG1 3.63Å; Y176-I194 HydrophobicContact CE1-CG2 3.6Å; Y176-Y211 AromaticContact CD2-CE2 3.95Å; Y176-Y211 HydrophobicContact CD2-CE2 3.95Å; Y176-G223 CarbonylContact O-C 3.51Å; Y176-G223 WeakPolarHBondContact O-CA 3.41Å; Y176-G224 PolarHBondContact N-O 2.83Å; Y176-G224 PolarHBondContact O-N 3.31Å; Y176-I238 HydrophobicContact CD2-CD1 3.82Å; Y176-I238 HydrophobicContact CE2-CD1 3.34Å
177	G	95.6	Very high	92.1	Very high	12 Å²	12	53 Å²	53	12%	0.124	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	148.4	173.9	0	0	0	0	0	112.2	N192 Y193	G177-N192 PolarHBondContact O-N 2.02Å; G177-Y193 PolarHBondContact N-O 3.19Å; G177-Y193 PolarHBondContact O-N 2.79Å; G177-Y193 VanDerWaalsContact O-N 3.08Å
178	Y	94.5	Very high	91.4	Very high	12 Å²	12	57.2 Å²	57.2	5%	0.047	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130.5	178.9	-51.3	-25.5	0	0	0	109.8	K180 V182 F189 R190 G191 Y211 E213 I221 Y222	Y178-K180 VanDerWaalsContact CB-O 3.27Å; Y178-K180 WeakPolarHBondContact CB-O 3.45Å; Y178-K180 PolarHBondContact O-N 2.77Å; Y178-V182 HydrophobicContact CD2-CB 4.46Å; Y178-V182 HydrophobicContact CD2-CG1 4Å; Y178-V182 HydrophobicContact CD2-CG2 3.65Å; Y178-V182 HydrophobicContact CE2-CG2 3.57Å; Y178-F189 HydrophobicContact CE1-CD2 4.31Å; Y178-F189 AromaticContact CE1-CE2 3.77Å; Y178-F189 HydrophobicContact CE1-CE2 3.77Å; Y178-F189 HydrophobicContact CE1-CZ 4.16Å; Y178-F189 VanDerWaalsContact OH-CE2 3.3Å; Y178-F189 WeakPolarHBondContact OH-CE2 3.48Å; Y178-R190 VanDerWaalsContact CD1-C 3.46Å; Y178-G191 VanDerWaalsContact CD1-CA 3.47Å; Y178-G191 VanDerWaalsContact CD1-N 3.34Å; Y178-G191 VanDerWaalsContact CE1-CA 3.5Å; Y178-G191 VanDerWaalsContact CE1-N 3.31Å; Y178-Y211 PolarHBondContact OH-OH 3.35Å; Y178-E213 PolarHBondContact OH-OE1 2.87Å; Y178-I221 HydrophobicContact CD2-CG2 4.29Å; Y178-I221 WeakPolarHBondContact CD2-O 3.46Å; Y178-I221 HydrophobicContact CE2-CG2 3.73Å; Y178-Y222 VanDerWaalsContact CD2-C 3.47Å; Y178-Y222 PolarHBondContact N-O 2.96Å
179	S	91.1	Very high	91.2	Very high	79 Å²	79	52.8 Å²	52.8	55%	0.552	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	-20.4	174.8	50	0	0	0	0	113.6	N192	S179-N192 VanDerWaalsContact CB-OD1 3.27Å; S179-N192 WeakPolarHBondContact CB-OD1 3.25Å; S179-N192 PolarHBondContact N-OD1 3.45Å; S179-N192 PolarHBondContact OG-OD1 3.02Å
180	K	92.5	Very high	90.9	Very high	150 Å²	150	57 Å²	57	65%	0.652	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.3	147.2	175.5	-63.4	-174.8	178.2	-175.1	0	108.9	Y178	Y178-K180 VanDerWaalsContact CB-O 3.27Å; Y178-K180 WeakPolarHBondContact CB-O 3.45Å; Y178-K180 PolarHBondContact O-N 2.77Å
181	G	92	Very high	90.7	Very high	20 Å²	20	55 Å²	55	21%	0.206	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	137.4	172.1	0	0	0	0	0	111	I221 Y222	G181-I221 CarbonylContact C-O 3.33Å; G181-I221 WeakPolarHBondContact CA-O 3.19Å; G181-Y222 VanDerWaalsContact N-CE1 3.33Å
182	V	91.4	Very high	90.5	Very high	3 Å²	3	56 Å²	56	2%	0.018	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	150.3	174.4	-54.6	0	0	0	0	110.2	Y178 D186 R190 I221	Y178-V182 HydrophobicContact CD2-CB 4.46Å; Y178-V182 HydrophobicContact CD2-CG1 4Å; Y178-V182 HydrophobicContact CD2-CG2 3.65Å; Y178-V182 HydrophobicContact CE2-CG2 3.57Å; V182-D186 HydrophobicContact CB-CB 4.4Å; V182-R190 HydrophobicContact CG1-CB 4.05Å; V182-R190 HydrophobicContact CG1-CG 4.03Å; V182-I221 HydrophobicContact CG2-CB 3.83Å; V182-I221 HydrophobicContact CG2-CG2 4.31Å; V182-I221 PolarHBondContact N-O 3.07Å; V182-I221 PolarHBondContact O-N 3.13Å
183	Q	89.5	Confident	90.5	Very high	106 Å²	106	57 Å²	57	50%	0.495	29%	0.285	S	S	.	.			trans	-83.5	155.2	172.5	-65.2	-176.7	-9	0	0	110.2	G185 D186 Y220	Q183-G185 PolarHBondContact O-N 3.21Å; Q183-D186 WeakPolarHBondContact O-CB 3.31Å; Q183-D186 PolarHBondContact O-N 3.5Å; Q183-Y220 HydrophobicContact CG-CD1 4.25Å; Q183-Y220 HydrophobicContact CG-CE1 3.88Å
184	F	84.2	Confident	90.5	Very high	131 Å²	131	56.8 Å²	56.8	58%	0.575	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-30.5	177.3	72.8	-89	0	0	0	112.6	D186 I221 R245 Y258	F184-D186 VanDerWaalsContact C-N 3.29Å; F184-D186 PolarHBondContact O-N 2.84Å; F184-I221 HydrophobicContact CB-CD1 4.44Å; F184-R245 VanDerWaalsContact O-CD 3.28Å; F184-R245 WeakPolarHBondContact O-CD 3.41Å; F184-R245 PolarHBondContact O-NH1 2.87Å; F184-Y258 HydrophobicContact CB-CE1 4.01Å; F184-Y258 HydrophobicContact CB-CE2 3.86Å
185	G	84.1	Confident	90.5	Very high	53 Å²	53	57.8 Å²	57.8	55%	0.546	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-4.5	178.2	0	0	0	0	0	114.9	Q183 R187	Q183-G185 PolarHBondContact O-N 3.21Å; G185-R187 PolarHBondContact O-N 3.11Å
186	D	85.2	Confident	90.6	Very high	32 Å²	32	52.6 Å²	52.6	17%	0.171	27%	0.268	C	S	.	.			trans	-62	130.1	179.7	-93.5	37	0	0	0	110.9	V182 Q183 F184 R190 R245	V182-D186 HydrophobicContact CB-CB 4.4Å; Q183-D186 WeakPolarHBondContact O-CB 3.31Å; Q183-D186 PolarHBondContact O-N 3.5Å; F184-D186 VanDerWaalsContact C-N 3.29Å; F184-D186 PolarHBondContact O-N 2.84Å; D186-R190 IonicContact OD2-CZ 3.56Å; D186-R190 IonicContact OD2-NE 2.79Å; D186-R190 PolarHBondContact OD2-NE 2.82Å; D186-R190 IonicContact OD2-NH2 3.5Å; D186-R190 PolarHBondContact OD2-NH2 2.74Å; D186-R245 PolarHBondContact O-NH1 2.66Å
187	R	80.5	Confident	90.6	Very high	160 Å²	160	52.5 Å²	52.5	60%	0.604	27%	0.268	S	S	*	.			trans	-76.2	-24.2	-173.6	-61.3	-179.3	179.1	175.7	1.7	114	G185 R242	G185-R187 PolarHBondContact O-N 3.11Å; R187-R242 HydrophobicContact CB-CB 4.15Å; R187-R242 HydrophobicContact CB-CG 4.34Å; R187-R242 HydrophobicContact CG-CB 4.45Å; R187-R242 HydrophobicContact CG-CG 4.09Å; R187-R242 PolarHBondContact O-N 3.04Å
188	V	80.7	Confident	90.7	Very high	95 Å²	95	52.9 Å²	52.9	58%	0.576	27%	0.268	S	S	*	.	S	Bend	trans	-122.9	137	-166.2	-176.9	0	0	0	0	109.7
189	F	86.8	Confident	90.7	Very high	17 Å²	17	52.6 Å²	52.6	8%	0.075	27%	0.268	C	S	.	.			trans	-66.8	131	172.9	-174.3	-109.5	0	0	0	112	Y176 Y178 Y211 I238 Y239 I241	Y176-F189 AromaticContact CD1-CE1 3.95Å; Y176-F189 HydrophobicContact CD1-CE1 3.95Å; Y176-F189 AromaticContact CD1-CZ 3.67Å; Y176-F189 HydrophobicContact CD1-CZ 3.67Å; Y176-F189 AromaticContact CD2-CZ 3.96Å; Y176-F189 HydrophobicContact CD2-CZ 3.96Å; Y176-F189 HydrophobicContact CE1-CE1 4.17Å; Y176-F189 HydrophobicContact CE1-CZ 4.2Å; Y176-F189 HydrophobicContact CE2-CZ 4.47Å; Y176-F189 HydrophobicContact CG-CE1 4.29Å; Y176-F189 AromaticContact CG-CZ 3.54Å; Y176-F189 HydrophobicContact CG-CZ 3.54Å; Y178-F189 HydrophobicContact CE1-CD2 4.31Å; Y178-F189 AromaticContact CE1-CE2 3.77Å; Y178-F189 HydrophobicContact CE1-CE2 3.77Å; Y178-F189 HydrophobicContact CE1-CZ 4.16Å; Y178-F189 VanDerWaalsContact OH-CE2 3.3Å; Y178-F189 WeakPolarHBondContact OH-CE2 3.48Å; F189-Y211 HydrophobicContact CE2-CE1 4.29Å; F189-I238 WeakPolarHBondContact CB-O 3.26Å; F189-I238 HydrophobicContact CD2-CB 4.48Å; F189-I238 WeakPolarHBondContact CD2-O 3.2Å; F189-I238 HydrophobicContact CE1-CD1 3.99Å; F189-I238 HydrophobicContact CE2-CB 4.48Å; F189-I238 HydrophobicContact CE2-CD1 3.97Å; F189-I238 WeakPolarHBondContact CG-O 3.21Å; F189-I238 HydrophobicContact CZ-CD1 3.64Å; F189-Y239 HydrophobicContact CB-CD1 4.46Å; F189-Y239 AromaticContact CD1-CD1 3.83Å; F189-Y239 HydrophobicContact CD1-CD1 3.83Å; F189-Y239 AromaticContact CD1-CE1 3.86Å; F189-Y239 HydrophobicContact CD1-CE1 3.86Å; F189-Y239 HydrophobicContact CE1-CE1 4.24Å; F189-I241 HydrophobicContact CB-CD1 4.33Å; F189-I241 HydrophobicContact CB-CG2 4.4Å; F189-I241 HydrophobicContact CD2-CG2 4.38Å
190	R	88.1	Confident	90.8	Very high	127 Å²	127	55.1 Å²	55.1	48%	0.479	28%	0.28	S	S	.	.			trans	-116.3	17.5	-178.5	-56	-163.1	-169.9	-175.7	4.4	113.2	Y178 V182 D186 N192	Y178-R190 VanDerWaalsContact CD1-C 3.46Å; V182-R190 HydrophobicContact CG1-CB 4.05Å; V182-R190 HydrophobicContact CG1-CG 4.03Å; D186-R190 IonicContact OD2-CZ 3.56Å; D186-R190 IonicContact OD2-NE 2.79Å; D186-R190 PolarHBondContact OD2-NE 2.82Å; D186-R190 IonicContact OD2-NH2 3.5Å; D186-R190 PolarHBondContact OD2-NH2 2.74Å; R190-N192 PolarHBondContact O-N 2.77Å; R190-N192 VanDerWaalsContact O-N 3.09Å; R190-N192 PolarHBondContact O-OD1 3.28Å
191	G	88.2	Confident	90.8	Very high	6 Å²	6	48.8 Å²	48.8	6%	0.062	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	113	171.7	0	0	0	0	0	110.8	Y178	Y178-G191 VanDerWaalsContact CD1-CA 3.47Å; Y178-G191 VanDerWaalsContact CD1-N 3.34Å; Y178-G191 VanDerWaalsContact CE1-CA 3.5Å; Y178-G191 VanDerWaalsContact CE1-N 3.31Å
192	N	92.7	Very high	90.9	Very high	22 Å²	22	51.7 Å²	51.7	12%	0.118	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	-6.7	178.8	76.3	-85.8	0	0	0	112.6	R152 Q153 G177 S179 R190	R152-N192 CarbonylContact C-O 3.51Å; R152-N192 VanDerWaalsContact CA-O 3.31Å; R152-N192 WeakPolarHBondContact CA-O 3.49Å; Q153-N192 PolarHBondContact N-O 3.08Å; G177-N192 PolarHBondContact O-N 2.02Å; S179-N192 VanDerWaalsContact CB-OD1 3.27Å; S179-N192 WeakPolarHBondContact CB-OD1 3.25Å; S179-N192 PolarHBondContact N-OD1 3.45Å; S179-N192 PolarHBondContact OG-OD1 3.02Å; R190-N192 PolarHBondContact O-N 2.77Å; R190-N192 VanDerWaalsContact O-N 3.09Å; R190-N192 PolarHBondContact O-OD1 3.28Å
193	Y	95.7	Very high	91.1	Very high	54 Å²	54	57.9 Å²	57.9	21%	0.212	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	129	165.1	-61.6	-75.9	0	0	0	107.5	E150 L151 R152 Y176 G177	E150-Y193 WeakPolarHBondContact OE1-CD1 3.36Å; L151-Y193 CarbonylContact O-C 3.48Å; L151-Y193 WeakPolarHBondContact O-CA 3.45Å; R152-Y193 HydrophobicContact CB-CD1 4.43Å; R152-Y193 HydrophobicContact CG-CD1 4.08Å; R152-Y193 HydrophobicContact CG-CE1 3.87Å; Y176-Y193 CarbonylContact C-O 3.57Å; Y176-Y193 VanDerWaalsContact CA-O 3.3Å; Y176-Y193 WeakPolarHBondContact CA-O 3.47Å; G177-Y193 PolarHBondContact N-O 3.19Å; G177-Y193 PolarHBondContact O-N 2.79Å; G177-Y193 VanDerWaalsContact O-N 3.08Å
194	I	96.7	Very high	91.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	108.9	-178.3	-38.4	179.6	0	0	0	106.4	L113 E150 L151 L158 V173 Y176 M196	L113-I194 HydrophobicContact CD2-CD1 4.1Å; L113-I194 HydrophobicContact CD2-CG2 4.44Å; E150-I194 WeakPolarHBondContact CA-O 3.2Å; L151-I194 HydrophobicContact CB-CB 4.13Å; L151-I194 HydrophobicContact CB-CD1 4.48Å; L151-I194 HydrophobicContact CB-CG1 4.43Å; L151-I194 PolarHBondContact N-O 3.44Å; L151-I194 PolarHBondContact O-N 2.84Å; L158-I194 HydrophobicContact CD2-CD1 3.67Å; V173-I194 HydrophobicContact CG1-CG2 4Å; V173-I194 HydrophobicContact CG2-CG2 4.06Å; Y176-I194 HydrophobicContact CD1-CB 4.23Å; Y176-I194 HydrophobicContact CD1-CD1 4.47Å; Y176-I194 HydrophobicContact CD1-CG1 3.81Å; Y176-I194 HydrophobicContact CD1-CG2 3.97Å; Y176-I194 HydrophobicContact CE1-CB 4.13Å; Y176-I194 HydrophobicContact CE1-CD1 3.81Å; Y176-I194 HydrophobicContact CE1-CG1 3.63Å; Y176-I194 HydrophobicContact CE1-CG2 3.6Å; I194-M196 HydrophobicContact CB-SD 4.33Å; I194-M196 HydrophobicContact CG2-SD 3.5Å; I194-M196 VanDerWaalsContact CG2-SD 3.5Å
195	H	97.8	Very high	92	Very high	23 Å²	23	54.6 Å²	54.6	11%	0.106	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	121.3	177.7	-59	127.8	0	0	0	108.6	I147 E150 E174 R175	I147-H195 HydrophobicContact CD1-CB 3.73Å; I147-H195 HydrophobicContact CG1-CB 4.23Å; I147-H195 HydrophobicContact CG2-CB 3.97Å; E150-H195 IonicContact OE2-CD2 3.17Å; E150-H195 PolarHBondContact OE2-CD2 2.9Å; E150-H195 IonicContact OE2-NE2 3.39Å; E150-H195 PolarHBondContact OE2-NE2 2.83Å; E174-H195 WeakPolarHBondContact CB-O 3.5Å; E174-H195 PolarHBondContact N-O 3.05Å; R175-H195 HydrophobicContact CG-CB 3.65Å; R175-H195 VanDerWaalsContact CG-ND1 3.31Å; R175-H195 WeakPolarHBondContact CG-ND1 3.43Å; R175-H195 PolarHBondContact N-O 2.77Å; R175-H195 PolarHBondContact NE-ND1 2.75Å; R175-H195 PolarHBondContact NH2-CE1 2.68Å; R175-H195 PolarHBondContact O-N 3.31Å
196	M	97.7	Very high	92.2	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	146.2	-176.4	-53	-52.2	-75	0	0	110.3	F111 K112 I147 A148 F149 L151 A171 D172 V173 I194	F111-M196 HydrophobicContact CB-CE 3.57Å; F111-M196 HydrophobicContact CD2-CE 4.01Å; F111-M196 HydrophobicContact CG-CE 4.04Å; K112-M196 VanDerWaalsContact O-CE 3.29Å; K112-M196 WeakPolarHBondContact O-CE 3.43Å; I147-M196 CarbonylContact C-O 3.52Å; I147-M196 WeakPolarHBondContact CA-O 3.39Å; A148-M196 PolarHBondContact N-O 2.82Å; F149-M196 HydrophobicContact CD1-CB 4.28Å; F149-M196 HydrophobicContact CD2-CB 3.86Å; F149-M196 HydrophobicContact CD2-CG 3.69Å; F149-M196 HydrophobicContact CE1-CB 4.03Å; F149-M196 HydrophobicContact CE2-CB 3.62Å; F149-M196 HydrophobicContact CE2-CG 3.31Å; F149-M196 HydrophobicContact CG-CB 4.2Å; F149-M196 HydrophobicContact CZ-CB 3.7Å; F149-M196 HydrophobicContact CZ-CG 3.82Å; F149-M196 PolarHBondContact O-N 2.87Å; L151-M196 HydrophobicContact CD1-CG 4.18Å; L151-M196 HydrophobicContact CD1-SD 4.36Å; L151-M196 HydrophobicContact CG-CG 4.24Å; A171-M196 HydrophobicContact CB-CB 4.06Å; D172-M196 CarbonylContact O-C 3.54Å; D172-M196 VanDerWaalsContact O-CA 3.27Å; D172-M196 WeakPolarHBondContact O-CA 3.02Å; V173-M196 HydrophobicContact CB-SD 4.5Å; V173-M196 HydrophobicContact CG2-CE 3.94Å; V173-M196 HydrophobicContact CG2-SD 3.99Å; I194-M196 HydrophobicContact CB-SD 4.33Å; I194-M196 HydrophobicContact CG2-SD 3.5Å; I194-M196 VanDerWaalsContact CG2-SD 3.5Å
197	T	97.7	Very high	92.4	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	153.1	177.4	-174.2	0	0	0	0	110.8	E146 A171 D172 E174 A199	E146-T197 WeakPolarHBondContact O-CB 3.3Å; E146-T197 PolarHBondContact O-OG1 2.89Å; A171-T197 CarbonylContact C-O 3.5Å; A171-T197 VanDerWaalsContact CA-O 3.28Å; A171-T197 WeakPolarHBondContact CA-O 3.27Å; A171-T197 WeakPolarHBondContact CB-O 3.31Å; D172-T197 PolarHBondContact N-O 3.01Å; D172-T197 PolarHBondContact O-N 3.47Å; E174-T197 HydrophobicContact CB-CG2 3.89Å; T197-A199 HydrophobicContact CG2-CB 4.33Å; T197-A199 WeakPolarHBondContact OG1-CB 3.18Å; T197-A199 PolarHBondContact OG1-N 3.03Å; T197-A199 VanDerWaalsContact OG1-N 3.09Å
198	C	96.9	Very high	93.1	Very high	20 Å²	20	57.3 Å²	57.3	14%	0.135	30%	0.3	C	S	.	.			trans	-94.5	-3.2	169.2	-35.5	0	0	0	0	112.2	C140 A148 C167	C140-C198 HydrophobicContact CB-CB 4.15Å; C140-C198 WeakPolarHBondContact CB-SG 3.48Å; C140-C198 PolarHBondContact SG-SG 3.09Å; A148-C198 VanDerWaalsContact CB-SG 3.53Å; C167-C198 WeakPolarHBondContact CA-SG 3.31Å; C167-C198 HydrophobicContact CB-CB 3.89Å; C167-C198 WeakPolarHBondContact CB-SG 3.31Å; C167-C198 WeakPolarHBondContact SG-CB 3.26Å; C167-C198 CovalentContact SG-SG 2.02Å; C167-C198 PolarHBondContact SG-SG 3.09Å
199	A	95.6	Very high	93.9	Very high	6 Å²	6	54.5 Å²	54.5	5%	0.05	28%	0.28	C	S	.	.	S	Bend	trans	-65.4	135.7	176	0	0	0	0	0	109.8	M142 T197 K201	M142-A199 WeakPolarHBondContact O-CB 3.27Å; T197-A199 HydrophobicContact CG2-CB 4.33Å; T197-A199 WeakPolarHBondContact OG1-CB 3.18Å; T197-A199 PolarHBondContact OG1-N 3.03Å; T197-A199 VanDerWaalsContact OG1-N 3.09Å; A199-K201 PolarHBondContact O-N 2.91Å
200	T	91.9	Very high	94.4	Very high	132 Å²	132	53.8 Å²	53.8	81%	0.81	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-70.2	123.6	177.7	-61.7	0	0	0	0	109.6
201	K	93.2	Very high	94.8	Very high	17 Å²	17	47.7 Å²	47.7	7%	0.074	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-87.4	133.7	176.8	-67	-69.8	-179.8	173.7	0	111.1	D172 E174 A199 V226 I229	D172-K201 HydrophobicContact CB-CG 4.28Å; E174-K201 IonicContact OE1-NZ 2.71Å; E174-K201 WeakPolarHBondContact OE2-CE 3.5Å; E174-K201 IonicContact OE2-NZ 3.79Å; E174-K201 PolarHBondContact OE2-NZ 3.35Å; A199-K201 PolarHBondContact O-N 2.91Å; K201-V226 WeakPolarHBondContact CE-O 3.22Å; K201-V226 PolarHBondContact NZ-O 2.76Å; K201-I229 HydrophobicContact CB-CD1 3.64Å; K201-I229 HydrophobicContact CB-CG1 3.62Å; K201-I229 HydrophobicContact CG-CD1 4.4Å; K201-I229 HydrophobicContact CG-CG1 4.38Å
202	P	95.1	Very high	95.2	Very high	82 Å²	82	49.6 Å²	49.6	53%	0.532	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-65.8	157.2	176.2	29.2	-35.1	0	0	0	110.8	C228 I229	P202-C228 HydrophobicContact CG-CB 4.26Å; P202-C228 CarbonylContact O-C 3.59Å; P202-C228 WeakPolarHBondContact O-CA 3.37Å; P202-C228 VanDerWaalsContact O-CB 3.25Å; P202-C228 WeakPolarHBondContact O-CB 3.16Å; P202-I229 PolarHBondContact O-N 3.2Å
203	Q	95.6	Very high	95.3	Very high	133 Å²	133	48.5 Å²	48.5	62%	0.621	26%	0.257	S	S	*	.	B	Isolated β-bridge	trans	-76.6	134.2	172.2	-171.9	175.1	-54.2	0	0	110.3	I229 P231	Q203-I229 CarbonylContact C-O 3.54Å; Q203-I229 VanDerWaalsContact CA-O 3.31Å; Q203-I229 WeakPolarHBondContact CA-O 3.45Å; Q203-P231 HydrophobicContact CG-CB 4.32Å; Q203-P231 HydrophobicContact CG-CG 3.92Å
204	C	96.7	Very high	95.3	Very high	6 Å²	6	50.2 Å²	50.2	4%	0.041	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-64.4	137.6	178.6	-57.3	0	0	0	0	111.9	D208 C228 I229	C204-D208 HydrophobicContact CB-CB 4.14Å; C204-C228 WeakPolarHBondContact CA-SG 3.25Å; C204-C228 HydrophobicContact CB-CB 3.97Å; C204-C228 WeakPolarHBondContact CB-SG 3.29Å; C204-C228 WeakPolarHBondContact SG-CB 3.43Å; C204-C228 PolarHBondContact SG-O 2.85Å; C204-C228 CovalentContact SG-SG 2.04Å; C204-C228 PolarHBondContact SG-SG 2.95Å; C204-I229 PolarHBondContact N-O 3.36Å; C204-I229 VanDerWaalsContact SG-C 3.52Å
205	K	95.6	Very high	95.1	Very high	161 Å²	161	51.9 Å²	51.9	70%	0.7	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-76.8	171	162.9	-58.2	175.2	-176.4	174.9	0	110.3	D207 D208	K205-D207 PolarHBondContact O-N 2.94Å; K205-D208 WeakPolarHBondContact CB-OD2 3.4Å; K205-D208 PolarHBondContact N-OD2 3.32Å; K205-D208 PolarHBondContact O-N 3.17Å
206	V	87.4	Confident	94.9	Very high	130 Å²	130	53.2 Å²	53.2	79%	0.788	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-36.5	-175.8	177.1	0	0	0	0	112.4
207	D	89.6	Confident	94.4	Very high	113 Å²	113	60.6 Å²	60.6	60%	0.604	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-4.3	-177.6	-71.2	-50.7	0	0	0	115	K205 K261	K205-D207 PolarHBondContact O-N 2.94Å; D207-K261 WeakPolarHBondContact O-CE 3.46Å; D207-K261 IonicContact OD1-NZ 2.69Å; D207-K261 PolarHBondContact OD1-NZ 2.67Å
208	D	96.3	Very high	94.1	Very high	59 Å²	59	64.3 Å²	64.3	32%	0.316	36%	0.361	S	S	.	.			trans	-70.9	145	-179.8	-66.1	-13.4	0	0	0	111	C204 K205	C204-D208 HydrophobicContact CB-CB 4.14Å; K205-D208 WeakPolarHBondContact CB-OD2 3.4Å; K205-D208 PolarHBondContact N-OD2 3.32Å; K205-D208 PolarHBondContact O-N 3.17Å
209	F	97.1	Very high	93.7	Very high	37 Å²	37	65.9 Å²	65.9	16%	0.162	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	121.6	166.9	-62.3	-61.4	0	0	0	109.5	Y211 I212 P227 I246 Q248 G259 I260 K261	F209-Y211 VanDerWaalsContact C-N 3.27Å; F209-I212 HydrophobicContact CB-CD1 4.2Å; F209-I212 HydrophobicContact CB-CG1 3.73Å; F209-P227 WeakPolarHBondContact O-CG 3.08Å; F209-I246 HydrophobicContact CE1-CB 3.96Å; F209-I246 HydrophobicContact CE1-CD1 3.91Å; F209-I246 HydrophobicContact CE1-CG2 4.13Å; F209-I246 HydrophobicContact CZ-CB 4.37Å; F209-I246 HydrophobicContact CZ-CG2 4.12Å; F209-Q248 VanDerWaalsContact CD2-NE2 3.3Å; F209-Q248 HydrophobicContact CE2-CG 3.77Å; F209-Q248 HydrophobicContact CZ-CG 4.16Å; F209-G259 VanDerWaalsContact CD1-CA 3.44Å; F209-I260 CarbonylContact C-O 3.51Å; F209-I260 WeakPolarHBondContact CA-O 3.49Å; F209-K261 HydrophobicContact CD1-CG 3.73Å; F209-K261 HydrophobicContact CE1-CG 3.87Å
210	C	96.3	Very high	93.7	Very high	1 Å²	1	70.1 Å²	70.1	1%	0.007	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-14.6	175.4	63.9	0	0	0	0	113	C230 C236 I260	C210-C230 VanDerWaalsContact CB-SG 3.56Å; C210-C236 HydrophobicContact CB-CB 3.72Å; C210-C236 WeakPolarHBondContact CB-SG 3.39Å; C210-C236 WeakPolarHBondContact SG-CA 3.48Å; C210-C236 WeakPolarHBondContact SG-CB 3.42Å; C210-C236 CovalentContact SG-SG 2.04Å; C210-C236 PolarHBondContact SG-SG 3.47Å; C210-I260 PolarHBondContact N-O 3.41Å; C210-I260 PolarHBondContact SG-O 2.99Å
211	Y	96.8	Very high	93.7	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	133	174.6	-174.3	-112.8	0	0	0	109.8	Y176 Y178 F189 F209 E213 G224 R225 V226 I238 G259 I260	Y176-Y211 AromaticContact CD2-CE2 3.95Å; Y176-Y211 HydrophobicContact CD2-CE2 3.95Å; Y178-Y211 PolarHBondContact OH-OH 3.35Å; F189-Y211 HydrophobicContact CE2-CE1 4.29Å; F209-Y211 VanDerWaalsContact C-N 3.27Å; Y211-E213 HydrophobicContact CD1-CG 3.99Å; Y211-E213 HydrophobicContact CE1-CG 3.36Å; Y211-G224 WeakPolarHBondContact CE2-O 3.13Å; Y211-G224 WeakPolarHBondContact OH-CA 3.4Å; Y211-G224 PolarHBondContact OH-N 3Å; Y211-G224 VanDerWaalsContact OH-N 3.1Å; Y211-R225 WeakPolarHBondContact CA-O 3.45Å; Y211-R225 WeakPolarHBondContact CD2-O 3.42Å; Y211-V226 HydrophobicContact CD2-CG2 3.99Å; Y211-I238 HydrophobicContact CD1-CG2 3.92Å; Y211-I238 HydrophobicContact CD2-CG2 4.37Å; Y211-I238 HydrophobicContact CG-CG2 3.78Å; Y211-G259 CarbonylContact O-C 3.59Å; Y211-G259 WeakPolarHBondContact O-CA 3.13Å; Y211-I260 HydrophobicContact CD1-CD1 3.93Å; Y211-I260 HydrophobicContact CD1-CG1 4.43Å; Y211-I260 PolarHBondContact N-O 2.95Å; Y211-I260 PolarHBondContact O-N 2.03Å
212	I	96.6	Very high	93.8	Very high	45 Å²	45	68 Å²	68	23%	0.231	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	122.7	-177.1	-58.1	175	0	0	0	109	F209 G224 R225 P227 Y258	F209-I212 HydrophobicContact CB-CD1 4.2Å; F209-I212 HydrophobicContact CB-CG1 3.73Å; I212-G224 CarbonylContact O-C 3.5Å; I212-G224 WeakPolarHBondContact O-CA 3.42Å; I212-R225 PolarHBondContact N-O 2.86Å; I212-R225 PolarHBondContact O-N 3.05Å; I212-P227 HydrophobicContact CD1-CG 4.01Å; I212-P227 HydrophobicContact CG1-CG 4.34Å; I212-Y258 WeakPolarHBondContact CA-O 3.13Å
213	E	95.8	Very high	93.9	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	130.3	173.7	-66.9	179.1	134.5	0	0	109.7	Y178 Y211 I221 R245 S257 Y258	Y178-E213 PolarHBondContact OH-OE1 2.87Å; Y211-E213 HydrophobicContact CD1-CG 3.99Å; Y211-E213 HydrophobicContact CE1-CG 3.36Å; E213-I221 HydrophobicContact CB-CD1 4.34Å; E213-I221 HydrophobicContact CB-CG2 3.7Å; E213-I221 HydrophobicContact CG-CG2 3.96Å; E213-R245 IonicContact OE1-NH2 2.68Å; E213-R245 PolarHBondContact OE1-NH2 3.25Å; E213-R245 IonicContact OE2-CZ 2.75Å; E213-R245 IonicContact OE2-NE 2.75Å; E213-R245 PolarHBondContact OE2-NE 2.93Å; E213-R245 IonicContact OE2-NH2 3.19Å; E213-R245 PolarHBondContact OE2-NH2 3.39Å; E213-S257 CarbonylContact O-C 3.02Å; E213-S257 VanDerWaalsContact O-CA 3.28Å; E213-S257 WeakPolarHBondContact O-CA 3.21Å; E213-S257 WeakPolarHBondContact O-CB 3.48Å; E213-Y258 PolarHBondContact N-O 2.89Å; E213-Y258 PolarHBondContact O-N 3.45Å
214	T	94.4	Very high	93.9	Very high	90 Å²	90	58.8 Å²	58.8	55%	0.552	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109	119.1	177.3	-53.9	0	0	0	0	108.5
215	P	93.3	Very high	93.9	Very high	34 Å²	34	64.5 Å²	64.5	22%	0.221	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	140.5	172.8	-23.3	35.2	0	0	0	110.9	I221 Y258	P215-I221 HydrophobicContact CG-CG1 4.5Å; P215-Y258 HydrophobicContact CG-CD2 3.94Å; P215-Y258 HydrophobicContact CG-CE2 3.63Å
216	S	92.5	Very high	93.9	Very high	51 Å²	51	57 Å²	57	36%	0.357	32%	0.316	S	S	.	.			trans	-76.6	172	168.8	178.2	0	0	0	0	110.3	D218 G219 Y220	S216-D218 VanDerWaalsContact CB-OD1 3.24Å; S216-D218 WeakPolarHBondContact CB-OD1 3.36Å; S216-D218 PolarHBondContact O-N 3.5Å; S216-D218 PolarHBondContact OG-OD1 3.48Å; S216-G219 PolarHBondContact O-N 3.47Å; S216-Y220 WeakPolarHBondContact CB-O 3.33Å; S216-Y220 PolarHBondContact N-O 3.28Å
217	T	88.9	Confident	94.4	Very high	155 Å²	155	52.9 Å²	52.9	95%	0.951	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-21	179.8	52.3	0	0	0	0	113.6	G219	T217-G219 VanDerWaalsContact C-N 3.29Å
218	D	90.8	Very high	94.7	Very high	79 Å²	79	47.9 Å²	47.9	42%	0.422	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	1.8	174.4	61.4	6.2	0	0	0	113.5	S216 Y220 Y222	S216-D218 VanDerWaalsContact CB-OD1 3.24Å; S216-D218 WeakPolarHBondContact CB-OD1 3.36Å; S216-D218 PolarHBondContact O-N 3.5Å; S216-D218 PolarHBondContact OG-OD1 3.48Å; D218-Y220 HydrophobicContact CB-CD2 4.17Å; D218-Y220 PolarHBondContact O-N 2.77Å; D218-Y220 WeakPolarHBondContact OD1-CB 3.22Å; D218-Y220 PolarHBondContact OD1-N 2.9Å; D218-Y222 PolarHBondContact OD2-OH 3.17Å; D218-Y222 VanDerWaalsContact OD2-OH 3.04Å
219	G	88.9	Confident	94.6	Very high	52 Å²	52	46.4 Å²	46.4	54%	0.536	26%	0.258	S	S	.	.	S	Bend	trans	80.3	-4.1	-178.1	0	0	0	0	0	114.6	S216 T217	S216-G219 PolarHBondContact O-N 3.47Å; T217-G219 VanDerWaalsContact C-N 3.29Å
220	Y	93.8	Very high	94.4	Very high	95 Å²	95	44.9 Å²	44.9	37%	0.373	25%	0.252	S	S	.	.			trans	-86.9	152.2	176.5	-69.9	-84.4	0	0	0	111.7	Q183 S216 D218	Q183-Y220 HydrophobicContact CG-CD1 4.25Å; Q183-Y220 HydrophobicContact CG-CE1 3.88Å; S216-Y220 WeakPolarHBondContact CB-O 3.33Å; S216-Y220 PolarHBondContact N-O 3.28Å; D218-Y220 HydrophobicContact CB-CD2 4.17Å; D218-Y220 PolarHBondContact O-N 2.77Å; D218-Y220 WeakPolarHBondContact OD1-CB 3.22Å; D218-Y220 PolarHBondContact OD1-N 2.9Å
221	I	93.9	Very high	94.2	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	130.8	173.3	-58.6	168.4	0	0	0	108.1	Y178 G181 V182 F184 E213 P215 G223 Y258	Y178-I221 HydrophobicContact CD2-CG2 4.29Å; Y178-I221 WeakPolarHBondContact CD2-O 3.46Å; Y178-I221 HydrophobicContact CE2-CG2 3.73Å; G181-I221 CarbonylContact C-O 3.33Å; G181-I221 WeakPolarHBondContact CA-O 3.19Å; V182-I221 HydrophobicContact CG2-CB 3.83Å; V182-I221 HydrophobicContact CG2-CG2 4.31Å; V182-I221 PolarHBondContact N-O 3.07Å; V182-I221 PolarHBondContact O-N 3.13Å; F184-I221 HydrophobicContact CB-CD1 4.44Å; E213-I221 HydrophobicContact CB-CD1 4.34Å; E213-I221 HydrophobicContact CB-CG2 3.7Å; E213-I221 HydrophobicContact CG-CG2 3.96Å; P215-I221 HydrophobicContact CG-CG1 4.5Å; I221-G223 WeakPolarHBondContact CG2-O 3.2Å; I221-Y258 HydrophobicContact CD1-CD2 3.72Å; I221-Y258 HydrophobicContact CD1-CE2 4.03Å
222	Y	95.2	Very high	93.8	Very high	105 Å²	105	52 Å²	52	41%	0.412	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	3.6	179.9	-72.6	-89	0	0	0	113.8	Y178 G181 D218	Y178-Y222 VanDerWaalsContact CD2-C 3.47Å; Y178-Y222 PolarHBondContact N-O 2.96Å; G181-Y222 VanDerWaalsContact N-CE1 3.33Å; D218-Y222 PolarHBondContact OD2-OH 3.17Å; D218-Y222 VanDerWaalsContact OD2-OH 3.04Å
223	G	95.3	Very high	93.4	Very high	13 Å²	13	55.1 Å²	55.1	13%	0.134	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.4	-171.6	179.9	0	0	0	0	0	111.7	Y176 I221	Y176-G223 CarbonylContact O-C 3.51Å; Y176-G223 WeakPolarHBondContact O-CA 3.41Å; I221-G223 WeakPolarHBondContact CG2-O 3.2Å
224	G	95.7	Very high	93.2	Very high	8 Å²	8	59.3 Å²	59.3	8%	0.082	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	159.6	177.1	0	0	0	0	0	112.2	R175 Y176 Y211 I212	R175-G224 CarbonylContact C-O 3.51Å; R175-G224 WeakPolarHBondContact CA-O 3.37Å; R175-G224 WeakPolarHBondContact CB-O 3.09Å; Y176-G224 PolarHBondContact N-O 2.83Å; Y176-G224 PolarHBondContact O-N 3.31Å; Y211-G224 WeakPolarHBondContact CE2-O 3.13Å; Y211-G224 WeakPolarHBondContact OH-CA 3.4Å; Y211-G224 PolarHBondContact OH-N 3Å; Y211-G224 VanDerWaalsContact OH-N 3.1Å; I212-G224 CarbonylContact O-C 3.5Å; I212-G224 WeakPolarHBondContact O-CA 3.42Å
225	R	97.3	Very high	93.1	Very high	126 Å²	126	56.1 Å²	56.1	48%	0.475	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	152.4	-177.6	-60.8	-173.7	70.9	-178	-1.9	111.1	E174 R175 Y211 I212 P227	E174-R225 IonicContact OE1-CZ 2.8Å; E174-R225 IonicContact OE1-NE 3.65Å; E174-R225 PolarHBondContact OE1-NE 2.93Å; E174-R225 IonicContact OE1-NH2 2.73Å; E174-R225 PolarHBondContact OE1-NH2 2.96Å; R175-R225 HydrophobicContact CB-CG 4.15Å; Y211-R225 WeakPolarHBondContact CA-O 3.45Å; Y211-R225 WeakPolarHBondContact CD2-O 3.42Å; I212-R225 PolarHBondContact N-O 2.86Å; I212-R225 PolarHBondContact O-N 3.05Å; R225-P227 WeakPolarHBondContact O-CD 3.26Å
226	V	96.8	Very high	93.1	Very high	3 Å²	3	54.9 Å²	54.9	2%	0.018	29%	0.285	C	S	.	.			trans	-107.8	96.6	173.6	-177.4	0	0	0	0	107.6	I114 V173 E174 K201 Y211 C228	I114-V226 HydrophobicContact CD1-CB 4.48Å; I114-V226 HydrophobicContact CD1-CG1 4.12Å; I114-V226 HydrophobicContact CD1-CG2 3.48Å; I114-V226 VanDerWaalsContact CD1-CG2 3.48Å; V173-V226 HydrophobicContact CB-CG2 4.23Å; V173-V226 HydrophobicContact CG1-CG2 3.82Å; V173-V226 WeakPolarHBondContact O-CB 3.06Å; E174-V226 PolarHBondContact O-N 2.81Å; K201-V226 WeakPolarHBondContact CE-O 3.22Å; K201-V226 PolarHBondContact NZ-O 2.76Å; Y211-V226 HydrophobicContact CD2-CG2 3.99Å; V226-C228 WeakPolarHBondContact CG1-O 3.47Å
227	P	96.2	Very high	93.1	Very high	44 Å²	44	52.7 Å²	52.7	29%	0.286	27%	0.27	S	S	.	.			trans	-77.1	-27.5	-177.9	31.1	-36.9	0	0	0	112.8	F209 I212 R225	F209-P227 WeakPolarHBondContact O-CG 3.08Å; I212-P227 HydrophobicContact CD1-CG 4.01Å; I212-P227 HydrophobicContact CG1-CG 4.34Å; R225-P227 WeakPolarHBondContact O-CD 3.26Å
228	C	96.3	Very high	93.2	Very high	7 Å²	7	45.3 Å²	45.3	5%	0.047	23%	0.225	C	C	.	.	S	Bend	trans	-150.1	160.8	-175.4	62.4	0	0	0	0	111.5	P202 C204 V226	P202-C228 HydrophobicContact CG-CB 4.26Å; P202-C228 CarbonylContact O-C 3.59Å; P202-C228 WeakPolarHBondContact O-CA 3.37Å; P202-C228 VanDerWaalsContact O-CB 3.25Å; P202-C228 WeakPolarHBondContact O-CB 3.16Å; C204-C228 WeakPolarHBondContact CA-SG 3.25Å; C204-C228 HydrophobicContact CB-CB 3.97Å; C204-C228 WeakPolarHBondContact CB-SG 3.29Å; C204-C228 WeakPolarHBondContact SG-CB 3.43Å; C204-C228 PolarHBondContact SG-O 2.85Å; C204-C228 CovalentContact SG-SG 2.04Å; C204-C228 PolarHBondContact SG-SG 2.95Å; V226-C228 WeakPolarHBondContact CG1-O 3.47Å
229	I	93.9	Very high	93	Very high	29 Å²	29	43.9 Å²	43.9	15%	0.149	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-99.8	131.8	176.2	-61.2	171.1	0	0	0	109.3	R120 K201 P202 Q203 C204	R120-I229 VanDerWaalsContact NH2-CG2 3.32Å; K201-I229 HydrophobicContact CB-CD1 3.64Å; K201-I229 HydrophobicContact CB-CG1 3.62Å; K201-I229 HydrophobicContact CG-CD1 4.4Å; K201-I229 HydrophobicContact CG-CG1 4.38Å; P202-I229 PolarHBondContact O-N 3.2Å; Q203-I229 CarbonylContact C-O 3.54Å; Q203-I229 VanDerWaalsContact CA-O 3.31Å; Q203-I229 WeakPolarHBondContact CA-O 3.45Å; C204-I229 PolarHBondContact N-O 3.36Å; C204-I229 VanDerWaalsContact SG-C 3.52Å
230	C	94.2	Very high	92.6	Very high	4 Å²	4	48.6 Å²	48.6	3%	0.027	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-61.2	144.6	176.2	-65.2	0	0	0	0	112	R120 C210 C236 C262	R120-C230 PolarHBondContact NE-O 3.27Å; R120-C230 PolarHBondContact NH2-O 2.75Å; C210-C230 VanDerWaalsContact CB-SG 3.56Å; C230-C236 PolarHBondContact SG-N 2.86Å; C230-C236 VanDerWaalsContact SG-N 3.45Å; C230-C262 WeakPolarHBondContact CA-SG 3.39Å; C230-C262 HydrophobicContact CB-CB 3.96Å; C230-C262 WeakPolarHBondContact CB-SG 3.04Å; C230-C262 WeakPolarHBondContact SG-CB 2.98Å; C230-C262 CovalentContact SG-SG 2.04Å; C230-C262 PolarHBondContact SG-SG 3.07Å
231	P	92.1	Very high	92.1	Very high	19 Å²	19	44.1 Å²	44.1	12%	0.123	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-55.7	159.6	171.2	-20.6	29	0	0	0	112.3	Q203 Q233 Y234	Q203-P231 HydrophobicContact CG-CB 4.32Å; Q203-P231 HydrophobicContact CG-CG 3.92Å; P231-Q233 PolarHBondContact O-N 2.83Å; P231-Q233 VanDerWaalsContact O-N 3.07Å; P231-Y234 HydrophobicContact CB-CD2 4.15Å; P231-Y234 HydrophobicContact CG-CD2 4.34Å; P231-Y234 CarbonylContact O-C 3.46Å; P231-Y234 WeakPolarHBondContact O-CA 3.28Å; P231-Y234 PolarHBondContact O-N 3.17Å
232	K	87.3	Confident	91.3	Very high	133 Å²	133	50.4 Å²	50.4	58%	0.578	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-32.6	-174.2	-172	175.7	-178	178.1	0	114.8	Y234 R265	K232-Y234 PolarHBondContact O-N 2.79Å; K232-R265 WeakPolarHBondContact O-CD 3.31Å; K232-R265 PolarHBondContact O-NH1 2.91Å; K232-R265 VanDerWaalsContact O-NH1 3.11Å
233	Q	88.4	Confident	90.7	Very high	110 Å²	110	52.3 Å²	52.3	51%	0.514	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	1	179.4	-51.7	80.2	10.2	0	0	113.4	P231 R265	P231-Q233 PolarHBondContact O-N 2.83Å; P231-Q233 VanDerWaalsContact O-N 3.07Å; Q233-R265 WeakPolarHBondContact O-CG 3.5Å; Q233-R265 PolarHBondContact O-N 3Å
234	Y	92.2	Very high	90.3	Very high	88 Å²	88	54.2 Å²	54.2	35%	0.345	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	160.2	-175.8	-63.4	-102.7	0	0	0	110.9	P231 K232 C262 K263 R264	P231-Y234 HydrophobicContact CB-CD2 4.15Å; P231-Y234 HydrophobicContact CG-CD2 4.34Å; P231-Y234 CarbonylContact O-C 3.46Å; P231-Y234 WeakPolarHBondContact O-CA 3.28Å; P231-Y234 PolarHBondContact O-N 3.17Å; K232-Y234 PolarHBondContact O-N 2.79Å; Y234-C262 HydrophobicContact CD1-CB 4.31Å; Y234-C262 HydrophobicContact CG-CB 4.48Å; Y234-K263 CarbonylContact C-O 3.53Å; Y234-K263 WeakPolarHBondContact CA-O 3.31Å; Y234-R264 HydrophobicContact CD1-CB 4.11Å; Y234-R264 VanDerWaalsContact CD1-N 3.33Å; Y234-R264 HydrophobicContact CE1-CB 3.87Å; Y234-R264 HydrophobicContact CE1-CG 4.48Å
235	H	92.5	Very high	90.1	Very high	22 Å²	22	55.3 Å²	55.3	10%	0.102	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	159.9	172.6	67.2	-79.8	0	0	0	110.4	D117 P237 C262 K263	D117-H235 PolarHBondContact N-CD2 2.91Å; H235-P237 WeakPolarHBondContact O-CD 3.48Å; H235-C262 WeakPolarHBondContact O-CA 3.45Å; H235-K263 PolarHBondContact N-O 2.96Å; H235-K263 PolarHBondContact ND1-O 3.1Å; H235-K263 PolarHBondContact O-N 3.4Å
236	C	93.6	Very high	89.9	Confident	8 Å²	8	52.7 Å²	52.7	5%	0.054	24%	0.244	C	C	.	.			trans	-91	110.1	173.6	-162.5	0	0	0	0	109	I114 G115 C210 C230 I238	I114-C236 HydrophobicContact CD1-CB 4.23Å; G115-C236 CarbonylContact C-O 3.49Å; G115-C236 WeakPolarHBondContact CA-O 3.41Å; G115-C236 PolarHBondContact N-O 3.47Å; C210-C236 HydrophobicContact CB-CB 3.72Å; C210-C236 WeakPolarHBondContact CB-SG 3.39Å; C210-C236 WeakPolarHBondContact SG-CA 3.48Å; C210-C236 WeakPolarHBondContact SG-CB 3.42Å; C210-C236 CovalentContact SG-SG 2.04Å; C210-C236 PolarHBondContact SG-SG 3.47Å; C230-C236 PolarHBondContact SG-N 2.86Å; C230-C236 VanDerWaalsContact SG-N 3.45Å; C236-I238 VanDerWaalsContact C-N 3.27Å; C236-I238 PolarHBondContact O-N 3.45Å
237	P	91.8	Very high	89.8	Confident	6 Å²	6	55.6 Å²	55.6	4%	0.039	26%	0.263	C	S	.	.			trans	-87.9	53.7	-161.3	38.5	-42.1	0	0	0	113.6	G115 H235 K244 I260 K261 K263	G115-P237 CarbonylContact O-C 3.52Å; G115-P237 WeakPolarHBondContact O-CA 3.27Å; H235-P237 WeakPolarHBondContact O-CD 3.48Å; P237-K244 HydrophobicContact CB-CD 4.17Å; P237-K244 HydrophobicContact CG-CD 3.91Å; P237-K244 PolarHBondContact O-NZ 3.41Å; P237-K244 VanDerWaalsContact O-NZ 3.1Å; P237-I260 HydrophobicContact CG-CG2 3.83Å; P237-K261 WeakPolarHBondContact CD-O 3.25Å; P237-K263 HydrophobicContact CB-CB 4.4Å; P237-K263 HydrophobicContact CG-CB 4.11Å
238	I	91.8	Very high	89.7	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	26%	0.263	C	S	.	.			trans	-78.8	-12.9	-168	66	156.5	0	0	0	115.7	I114 G115 Y176 F189 Y211 C236 I241 I260	I114-I238 HydrophobicContact CD1-CD1 4.04Å; I114-I238 HydrophobicContact CD1-CG1 4.47Å; I114-I238 HydrophobicContact CD1-CG2 4.5Å; I114-I238 HydrophobicContact CG1-CD1 3.9Å; I114-I238 HydrophobicContact CG1-CG1 4.38Å; G115-I238 VanDerWaalsContact CA-CG1 3.42Å; G115-I238 PolarHBondContact O-N 3.35Å; Y176-I238 HydrophobicContact CD2-CD1 3.82Å; Y176-I238 HydrophobicContact CE2-CD1 3.34Å; F189-I238 WeakPolarHBondContact CB-O 3.26Å; F189-I238 HydrophobicContact CD2-CB 4.48Å; F189-I238 WeakPolarHBondContact CD2-O 3.2Å; F189-I238 HydrophobicContact CE1-CD1 3.99Å; F189-I238 HydrophobicContact CE2-CB 4.48Å; F189-I238 HydrophobicContact CE2-CD1 3.97Å; F189-I238 WeakPolarHBondContact CG-O 3.21Å; F189-I238 HydrophobicContact CZ-CD1 3.64Å; Y211-I238 HydrophobicContact CD1-CG2 3.92Å; Y211-I238 HydrophobicContact CD2-CG2 4.37Å; Y211-I238 HydrophobicContact CG-CG2 3.78Å; C236-I238 VanDerWaalsContact C-N 3.27Å; C236-I238 PolarHBondContact O-N 3.45Å; I238-I241 WeakPolarHBondContact O-CG2 3.44Å; I238-I260 HydrophobicContact CG2-CD1 4.3Å
239	Y	85.4	Confident	89.6	Confident	48 Å²	48	60.7 Å²	60.7	19%	0.188	29%	0.285	C	S	.	.	S	Bend	trans	-79.6	-29.8	179.3	-78.2	-71.6	0	0	0	113.5	I114 T116 M119 F189	I114-Y239 WeakPolarHBondContact O-CE2 3.3Å; T116-Y239 HydrophobicContact CG2-CD2 3.74Å; T116-Y239 HydrophobicContact CG2-CE2 4.46Å; T116-Y239 HydrophobicContact CG2-CG 4.48Å; M119-Y239 HydrophobicContact CE-CE2 3.99Å; M119-Y239 HydrophobicContact SD-CD2 4.39Å; M119-Y239 HydrophobicContact SD-CE2 3.6Å; M119-Y239 VanDerWaalsContact SD-CE2 3.6Å; F189-Y239 HydrophobicContact CB-CD1 4.46Å; F189-Y239 AromaticContact CD1-CD1 3.83Å; F189-Y239 HydrophobicContact CD1-CD1 3.83Å; F189-Y239 AromaticContact CD1-CE1 3.86Å; F189-Y239 HydrophobicContact CD1-CE1 3.86Å; F189-Y239 HydrophobicContact CE1-CE1 4.24Å
240	F	81.6	Confident	89.5	Confident	151 Å²	151	61.7 Å²	61.7	66%	0.662	29%	0.29	S	S	*	.	S	Bend	trans	-111.3	59.6	179.8	-58.8	-75.6	0	0	0	110.4	R242 K244	F240-R242 PolarHBondContact O-N 3.17Å; F240-K244 VanDerWaalsContact O-CD 3.24Å; F240-K244 WeakPolarHBondContact O-CD 3.27Å; F240-K244 WeakPolarHBondContact O-CE 3.27Å; F240-K244 PolarHBondContact O-NZ 2.75Å
241	I	82.6	Confident	89.5	Confident	2 Å²	2	69.9 Å²	69.9	1%	0.01	33%	0.334	C	S	.	.			trans	-68.7	-9.7	-169.9	62.5	-165.1	0	0	0	116	F189 I238 D243 K244 R245 I260	F189-I241 HydrophobicContact CB-CD1 4.33Å; F189-I241 HydrophobicContact CB-CG2 4.4Å; F189-I241 HydrophobicContact CD2-CG2 4.38Å; I238-I241 WeakPolarHBondContact O-CG2 3.44Å; I241-D243 PolarHBondContact O-N 2.96Å; I241-K244 WeakPolarHBondContact O-CB 3.39Å; I241-K244 PolarHBondContact O-N 2.61Å; I241-R245 VanDerWaalsContact CD1-CZ 3.49Å; I241-I260 HydrophobicContact CB-CD1 4.43Å; I241-I260 HydrophobicContact CG2-CD1 3.86Å
242	R	77.9	Confident	89.5	Confident	132 Å²	132	74.8 Å²	74.8	50%	0.498	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	126.4	178.1	-174.6	-173.9	169.6	168	4.2	110.6	R187 F240 K244	R187-R242 HydrophobicContact CB-CB 4.15Å; R187-R242 HydrophobicContact CB-CG 4.34Å; R187-R242 HydrophobicContact CG-CB 4.45Å; R187-R242 HydrophobicContact CG-CG 4.09Å; R187-R242 PolarHBondContact O-N 3.04Å; F240-R242 PolarHBondContact O-N 3.17Å; R242-K244 PolarHBondContact O-N 2.77Å; R242-K244 VanDerWaalsContact O-N 3.13Å
243	D	81.5	Confident	89.7	Confident	145 Å²	145	71.1 Å²	71.1	78%	0.775	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	17.5	176.8	-48	-35.8	0	0	0	114.5	I241	I241-D243 PolarHBondContact O-N 2.96Å
244	K	87.1	Confident	89.8	Confident	53 Å²	53	74.3 Å²	74.3	23%	0.23	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-13.3	179.3	-65.1	179.9	-177.3	159	0	114.5	P237 F240 I241 R242 I246	P237-K244 HydrophobicContact CB-CD 4.17Å; P237-K244 HydrophobicContact CG-CD 3.91Å; P237-K244 PolarHBondContact O-NZ 3.41Å; P237-K244 VanDerWaalsContact O-NZ 3.1Å; F240-K244 VanDerWaalsContact O-CD 3.24Å; F240-K244 WeakPolarHBondContact O-CD 3.27Å; F240-K244 WeakPolarHBondContact O-CE 3.27Å; F240-K244 PolarHBondContact O-NZ 2.75Å; I241-K244 WeakPolarHBondContact O-CB 3.39Å; I241-K244 PolarHBondContact O-N 2.61Å; R242-K244 PolarHBondContact O-N 2.77Å; R242-K244 VanDerWaalsContact O-N 3.13Å; K244-I246 PolarHBondContact O-N 2.89Å
245	R	91.4	Very high	89.7	Confident	31 Å²	31	72.8 Å²	72.8	12%	0.117	37%	0.366	C	S	.	.			trans	-71.8	121	177.6	-74.4	177.4	173.1	115.5	-1.8	109.6	F184 D186 E213 I241 Y258	F184-R245 VanDerWaalsContact O-CD 3.28Å; F184-R245 WeakPolarHBondContact O-CD 3.41Å; F184-R245 PolarHBondContact O-NH1 2.87Å; D186-R245 PolarHBondContact O-NH1 2.66Å; E213-R245 IonicContact OE1-NH2 2.68Å; E213-R245 PolarHBondContact OE1-NH2 3.25Å; E213-R245 IonicContact OE2-CZ 2.75Å; E213-R245 IonicContact OE2-NE 2.75Å; E213-R245 PolarHBondContact OE2-NE 2.93Å; E213-R245 IonicContact OE2-NH2 3.19Å; E213-R245 PolarHBondContact OE2-NH2 3.39Å; I241-R245 VanDerWaalsContact CD1-CZ 3.49Å; R245-Y258 HydrophobicContact CB-CD1 4.03Å; R245-Y258 HydrophobicContact CB-CG 4.39Å
246	I	93.8	Very high	89.8	Confident	72 Å²	72	75.8 Å²	75.8	37%	0.369	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	112.8	176	-61.5	163.8	0	0	0	107.1	F209 K244 Y258 G259 K261	F209-I246 HydrophobicContact CE1-CB 3.96Å; F209-I246 HydrophobicContact CE1-CD1 3.91Å; F209-I246 HydrophobicContact CE1-CG2 4.13Å; F209-I246 HydrophobicContact CZ-CB 4.37Å; F209-I246 HydrophobicContact CZ-CG2 4.12Å; K244-I246 PolarHBondContact O-N 2.89Å; I246-Y258 CarbonylContact O-C 3.56Å; I246-Y258 WeakPolarHBondContact O-CA 3.4Å; I246-G259 PolarHBondContact N-O 2.9Å; I246-G259 PolarHBondContact O-N 2.87Å; I246-K261 HydrophobicContact CD1-CD 4.33Å; I246-K261 HydrophobicContact CD1-CG 4.04Å
247	P	94.2	Very high	89.9	Confident	64 Å²	64	75.9 Å²	75.9	42%	0.416	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	135.8	178.3	27.9	-32.9	0	0	0	110.4	I249 V255 Y258	P247-I249 HydrophobicContact CB-CG1 4.45Å; P247-V255 HydrophobicContact CB-CG1 4.11Å; P247-V255 HydrophobicContact CB-CG2 4.1Å; P247-Y258 HydrophobicContact CB-CD1 4.11Å; P247-Y258 HydrophobicContact CB-CE1 3.95Å
248	Q	94.5	Very high	90	Very high	59 Å²	59	77 Å²	77	28%	0.276	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126.8	165.7	-61.9	-173.6	62.5	0	0	107.7	F209 V255 I256 S257	F209-Q248 VanDerWaalsContact CD2-NE2 3.3Å; F209-Q248 HydrophobicContact CE2-CG 3.77Å; F209-Q248 HydrophobicContact CZ-CG 4.16Å; Q248-V255 CarbonylContact O-C 3.57Å; Q248-V255 WeakPolarHBondContact O-CA 3.4Å; Q248-I256 HydrophobicContact CB-CG1 4.07Å; Q248-I256 VanDerWaalsContact O-CG1 3.31Å; Q248-I256 WeakPolarHBondContact O-CG1 3.42Å; Q248-I256 PolarHBondContact O-N 3.47Å; Q248-S257 WeakPolarHBondContact CB-OG 3.07Å; Q248-S257 VanDerWaalsContact CD-OG 3.26Å; Q248-S257 PolarHBondContact N-O 3.08Å; Q248-S257 PolarHBondContact NE2-OG 3.4Å
249	I	93.6	Very high	90.2	Very high	99 Å²	99	77 Å²	77	51%	0.508	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	138	-170.9	-51.3	-177.3	0	0	0	108.2	P247 G253 R254 V255	P247-I249 HydrophobicContact CB-CG1 4.45Å; I249-G253 WeakPolarHBondContact CG2-O 3.39Å; I249-R254 CarbonylContact C-O 3.51Å; I249-R254 VanDerWaalsContact CA-O 3.28Å; I249-R254 WeakPolarHBondContact CA-O 2.96Å; I249-R254 WeakPolarHBondContact CG2-O 3.02Å; I249-V255 HydrophobicContact CG1-CG2 4.41Å
250	N	92.5	Very high	90.7	Very high	50 Å²	50	74.9 Å²	74.9	27%	0.267	38%	0.378	S	S	.	.			trans	-81.3	178.9	171.1	74.8	-15.9	0	0	0	111.7	D252 G253 R254 I256	N250-D252 PolarHBondContact ND2-OD2 3.01Å; N250-D252 PolarHBondContact O-N 2.03Å; N250-D252 VanDerWaalsContact O-N 3.14Å; N250-D252 PolarHBondContact OD1-N 3.05Å; N250-G253 PolarHBondContact O-N 2.74Å; N250-G253 PolarHBondContact OD1-N 2.95Å; N250-R254 PolarHBondContact N-O 2.89Å; N250-R254 WeakPolarHBondContact OD1-CA 3.12Å; N250-R254 WeakPolarHBondContact OD1-CB 3.48Å; N250-R254 PolarHBondContact OD1-N 3.16Å; N250-R254 PolarHBondContact OD1-O 3.02Å; N250-I256 HydrophobicContact CB-CG2 3.81Å
251	D	93.7	Very high	91.3	Very high	176 Å²	176	71.1 Å²	71.1	94%	0.941	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-25	180	-58.9	-32.9	0	0	0	113.4	G253	D251-G253 VanDerWaalsContact C-N 3.27Å; D251-G253 PolarHBondContact O-N 3.47Å
252	D	92.3	Very high	91.9	Very high	121 Å²	121	72.4 Å²	72.4	65%	0.647	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	1.9	177.1	-52.2	-53.5	0	0	0	114	N250 R254	N250-D252 PolarHBondContact ND2-OD2 3.01Å; N250-D252 PolarHBondContact O-N 2.03Å; N250-D252 VanDerWaalsContact O-N 3.14Å; N250-D252 PolarHBondContact OD1-N 3.05Å; D252-R254 VanDerWaalsContact C-N 3.3Å; D252-R254 HydrophobicContact CB-CG 4.3Å; D252-R254 PolarHBondContact O-N 2.8Å
253	G	90.8	Very high	92.6	Very high	56 Å²	56	71.1 Å²	71.1	58%	0.577	37%	0.369	S	S	*	.	S	Bend	trans	78	10.7	-175.6	0	0	0	0	0	114.4	I249 N250 D251	I249-G253 WeakPolarHBondContact CG2-O 3.39Å; N250-G253 PolarHBondContact O-N 2.74Å; N250-G253 PolarHBondContact OD1-N 2.95Å; D251-G253 VanDerWaalsContact C-N 3.27Å; D251-G253 PolarHBondContact O-N 3.47Å
254	R	90.8	Very high	93	Very high	177 Å²	177	72.7 Å²	72.7	67%	0.668	36%	0.364	S	S	*	.			trans	-91.8	137.2	179	-62.3	-180	175.1	173	-0.1	111.4	I249 N250 D252 I256	I249-R254 CarbonylContact C-O 3.51Å; I249-R254 VanDerWaalsContact CA-O 3.28Å; I249-R254 WeakPolarHBondContact CA-O 2.96Å; I249-R254 WeakPolarHBondContact CG2-O 3.02Å; N250-R254 PolarHBondContact N-O 2.89Å; N250-R254 WeakPolarHBondContact OD1-CA 3.12Å; N250-R254 WeakPolarHBondContact OD1-CB 3.48Å; N250-R254 PolarHBondContact OD1-N 3.16Å; N250-R254 PolarHBondContact OD1-O 3.02Å; D252-R254 VanDerWaalsContact C-N 3.3Å; D252-R254 HydrophobicContact CB-CG 4.3Å; D252-R254 PolarHBondContact O-N 2.8Å; R254-I256 PolarHBondContact O-N 3.34Å
255	V	91.5	Very high	93	Very high	56 Å²	56	71 Å²	71	34%	0.339	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	117.1	174.5	-177.5	0	0	0	0	109.8	P247 Q248 I249 S257 Y258	P247-V255 HydrophobicContact CB-CG1 4.11Å; P247-V255 HydrophobicContact CB-CG2 4.1Å; Q248-V255 CarbonylContact O-C 3.57Å; Q248-V255 WeakPolarHBondContact O-CA 3.4Å; I249-V255 HydrophobicContact CG1-CG2 4.41Å; V255-S257 WeakPolarHBondContact CG1-O 3.42Å; V255-Y258 HydrophobicContact CG1-CD1 4.38Å; V255-Y258 HydrophobicContact CG1-CD2 4.35Å; V255-Y258 HydrophobicContact CG1-CE1 3.93Å; V255-Y258 HydrophobicContact CG1-CE2 3.89Å
256	I	93.7	Very high	92.2	Very high	86 Å²	86	75.8 Å²	75.8	44%	0.441	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-25.7	177.5	56	168.7	0	0	0	112.6	Q248 N250 R254	Q248-I256 HydrophobicContact CB-CG1 4.07Å; Q248-I256 VanDerWaalsContact O-CG1 3.31Å; Q248-I256 WeakPolarHBondContact O-CG1 3.42Å; Q248-I256 PolarHBondContact O-N 3.47Å; N250-I256 HydrophobicContact CB-CG2 3.81Å; R254-I256 PolarHBondContact O-N 3.34Å
257	S	95.3	Very high	90.7	Very high	10 Å²	10	83.2 Å²	83.2	7%	0.07	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	166.5	174.3	61.5	0	0	0	0	111.8	E213 Q248 V255	E213-S257 CarbonylContact O-C 3.02Å; E213-S257 VanDerWaalsContact O-CA 3.28Å; E213-S257 WeakPolarHBondContact O-CA 3.21Å; E213-S257 WeakPolarHBondContact O-CB 3.48Å; Q248-S257 WeakPolarHBondContact CB-OG 3.07Å; Q248-S257 VanDerWaalsContact CD-OG 3.26Å; Q248-S257 PolarHBondContact N-O 3.08Å; Q248-S257 PolarHBondContact NE2-OG 3.4Å; V255-S257 WeakPolarHBondContact CG1-O 3.42Å
258	Y	95.1	Very high	90.5	Very high	30 Å²	30	84.2 Å²	84.2	12%	0.118	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	121.8	168.7	-63.7	-82.2	0	0	0	109.2	F184 I212 E213 P215 I221 R245 I246 P247 V255	F184-Y258 HydrophobicContact CB-CE1 4.01Å; F184-Y258 HydrophobicContact CB-CE2 3.86Å; I212-Y258 WeakPolarHBondContact CA-O 3.13Å; E213-Y258 PolarHBondContact N-O 2.89Å; E213-Y258 PolarHBondContact O-N 3.45Å; P215-Y258 HydrophobicContact CG-CD2 3.94Å; P215-Y258 HydrophobicContact CG-CE2 3.63Å; I221-Y258 HydrophobicContact CD1-CD2 3.72Å; I221-Y258 HydrophobicContact CD1-CE2 4.03Å; R245-Y258 HydrophobicContact CB-CD1 4.03Å; R245-Y258 HydrophobicContact CB-CG 4.39Å; I246-Y258 CarbonylContact O-C 3.56Å; I246-Y258 WeakPolarHBondContact O-CA 3.4Å; P247-Y258 HydrophobicContact CB-CD1 4.11Å; P247-Y258 HydrophobicContact CB-CE1 3.95Å; V255-Y258 HydrophobicContact CG1-CD1 4.38Å; V255-Y258 HydrophobicContact CG1-CD2 4.35Å; V255-Y258 HydrophobicContact CG1-CE1 3.93Å; V255-Y258 HydrophobicContact CG1-CE2 3.89Å
259	G	95.5	Very high	90.3	Very high	0 Å²	0	85.5 Å²	85.5	0%	0	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	152.8	176.6	0	0	0	0	0	112.6	F209 Y211 I246	F209-G259 VanDerWaalsContact CD1-CA 3.44Å; Y211-G259 CarbonylContact O-C 3.59Å; Y211-G259 WeakPolarHBondContact O-CA 3.13Å; I246-G259 PolarHBondContact N-O 2.9Å; I246-G259 PolarHBondContact O-N 2.87Å
260	I	95.2	Very high	90.1	Very high	2 Å²	2	84.7 Å²	84.7	1%	0.01	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	127.3	167.2	-57.5	-177.9	0	0	0	107.8	F209 C210 Y211 P237 I238 I241	F209-I260 CarbonylContact C-O 3.51Å; F209-I260 WeakPolarHBondContact CA-O 3.49Å; C210-I260 PolarHBondContact N-O 3.41Å; C210-I260 PolarHBondContact SG-O 2.99Å; Y211-I260 HydrophobicContact CD1-CD1 3.93Å; Y211-I260 HydrophobicContact CD1-CG1 4.43Å; Y211-I260 PolarHBondContact N-O 2.95Å; Y211-I260 PolarHBondContact O-N 2.03Å; P237-I260 HydrophobicContact CG-CG2 3.83Å; I238-I260 HydrophobicContact CG2-CD1 4.3Å; I241-I260 HydrophobicContact CB-CD1 4.43Å; I241-I260 HydrophobicContact CG2-CD1 3.86Å
261	K	95.3	Very high	90	Very high	72 Å²	72	86.8 Å²	86.8	31%	0.313	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	156.1	176.4	-70	-168.2	173.5	-170.8	0	111.7	D207 F209 P237 I246	D207-K261 WeakPolarHBondContact O-CE 3.46Å; D207-K261 IonicContact OD1-NZ 2.69Å; D207-K261 PolarHBondContact OD1-NZ 2.67Å; F209-K261 HydrophobicContact CD1-CG 3.73Å; F209-K261 HydrophobicContact CE1-CG 3.87Å; P237-K261 WeakPolarHBondContact CD-O 3.25Å; I246-K261 HydrophobicContact CD1-CD 4.33Å; I246-K261 HydrophobicContact CD1-CG 4.04Å
262	C	94.3	Very high	89.7	Confident	29 Å²	29	81.2 Å²	81.2	20%	0.196	39%	0.386	C	S	.	.			trans	-58.8	140.1	170.6	-67.1	0	0	0	0	111	C230 Y234 H235	C230-C262 WeakPolarHBondContact CA-SG 3.39Å; C230-C262 HydrophobicContact CB-CB 3.96Å; C230-C262 WeakPolarHBondContact CB-SG 3.04Å; C230-C262 WeakPolarHBondContact SG-CB 2.98Å; C230-C262 CovalentContact SG-SG 2.04Å; C230-C262 PolarHBondContact SG-SG 3.07Å; Y234-C262 HydrophobicContact CD1-CB 4.31Å; Y234-C262 HydrophobicContact CG-CB 4.48Å; H235-C262 WeakPolarHBondContact O-CA 3.45Å
263	K	92.5	Very high	89.6	Confident	106 Å²	106	78.5 Å²	78.5	46%	0.461	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	138.2	175.6	-171.6	176.7	178.5	178.7	0	110.3	Y234 H235 P237	Y234-K263 CarbonylContact C-O 3.53Å; Y234-K263 WeakPolarHBondContact CA-O 3.31Å; H235-K263 PolarHBondContact N-O 2.96Å; H235-K263 PolarHBondContact ND1-O 3.1Å; H235-K263 PolarHBondContact O-N 3.4Å; P237-K263 HydrophobicContact CB-CB 4.4Å; P237-K263 HydrophobicContact CG-CB 4.11Å
264	R	90.8	Very high	89.5	Confident	178 Å²	178	80.1 Å²	80.1	67%	0.672	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.2	140	174.9	-170.9	174.2	177.2	169.8	-0.1	110.1	Y234	Y234-R264 HydrophobicContact CD1-CB 4.11Å; Y234-R264 VanDerWaalsContact CD1-N 3.33Å; Y234-R264 HydrophobicContact CE1-CB 3.87Å; Y234-R264 HydrophobicContact CE1-CG 4.48Å
265	R	85.7	Confident	89.4	Confident	18 Å²	18	72.7 Å²	72.7	7%	0.068	33%	0.329	C	S	.	.			trans	-70.4	140.3	176.8	-62.9	177.3	67.9	179.9	4.1	110.9	D117 D121 K232 Q233 Y267	D117-R265 WeakPolarHBondContact OD1-CB 3.34Å; D117-R265 WeakPolarHBondContact OD1-CD 3.35Å; D117-R265 WeakPolarHBondContact OD1-CG 3.21Å; D117-R265 IonicContact OD1-CZ 2.89Å; D117-R265 IonicContact OD1-NE 3.2Å; D117-R265 PolarHBondContact OD1-NE 3.09Å; D117-R265 IonicContact OD1-NH2 3.57Å; D117-R265 WeakPolarHBondContact OD2-CA 3.22Å; D117-R265 WeakPolarHBondContact OD2-CB 3.1Å; D121-R265 IonicContact OD1-NH1 3.2Å; D121-R265 IonicContact OD2-CZ 2.85Å; D121-R265 IonicContact OD2-NH1 3.26Å; D121-R265 PolarHBondContact OD2-NH1 3.2Å; D121-R265 IonicContact OD2-NH2 3.19Å; D121-R265 PolarHBondContact OD2-NH2 2.89Å; K232-R265 WeakPolarHBondContact O-CD 3.31Å; K232-R265 PolarHBondContact O-NH1 2.91Å; K232-R265 VanDerWaalsContact O-NH1 3.11Å; Q233-R265 WeakPolarHBondContact O-CG 3.5Å; Q233-R265 PolarHBondContact O-N 3Å; R265-Y267 HydrophobicContact CB-CE2 4.08Å; R265-Y267 PolarHBondContact NE-OH 2.87Å; R265-Y267 PolarHBondContact NH1-OH 2.95Å
266	N	74.4	Confident	89.2	Confident	131 Å²	131	74.1 Å²	74.1	70%	0.701	33%	0.328	S	S	*	.			trans	-99.2	99.5	175	-73.6	-10.3	0	0	0	108.1	D117	D117-N266 PolarHBondContact OD2-N 3.3Å
267	Y	62.8	Low	88.8	Confident	227 Å²	227	73 Å²	73	89%	0.89	32%	0.318	S	S	*	.			trans	-81.9	0	170.2	-65.4	-74.5	0	0	0	111.6	R265	R265-Y267 HydrophobicContact CB-CE2 4.08Å; R265-Y267 PolarHBondContact NE-OH 2.87Å; R265-Y267 PolarHBondContact NH1-OH 2.95Å

Retrieved 267 of 267 residues in 145.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).