A0A096MC39_POEFO Loading...

V-set domain containing T-cell activation inhibitor 1-like

AlphaFold DB , UniProt , Accession A0A096MC39, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 272 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	65.3	Low	79.2	Confident	242 Å²	242	107 Å²	107	100%	1.192	59%	0.589	S	S	*	*				0	119.3	0	-67	171	90.5	0	0	107
2	A	64.2	Low	79.8	Confident	64 Å²	64	106.4 Å²	106.4	53%	0.529	58%	0.583	S	S	.	*			trans	-64.5	138.6	173.7	0	0	0	0	0	108.9	I7	A2-I7 HydrophobicContact CB-CD1 4.41Å; A2-I7 HydrophobicContact CB-CG1 4.07Å
3	T	83.4	Confident	80.5	Confident	88 Å²	88	103.2 Å²	103.2	54%	0.54	57%	0.569	S	S	.	*			trans	-70.8	150.2	175.8	62.4	0	0	0	0	109.4	G5 Q6 I7	T3-G5 PolarHBondContact O-N 2.94Å; T3-G5 VanDerWaalsContact O-N 3.11Å; T3-Q6 VanDerWaalsContact N-OE1 3.16Å; T3-Q6 WeakPolarHBondContact O-CB 3.44Å; T3-Q6 PolarHBondContact O-N 3.03Å; T3-Q6 WeakPolarHBondContact OG1-CG 3.37Å; T3-Q6 PolarHBondContact OG1-OE1 2.81Å; T3-I7 PolarHBondContact O-N 3.14Å
4	V	82.3	Confident	81.1	Confident	108 Å²	108	101.4 Å²	101.4	66%	0.655	56%	0.562	S	S	*	*	H	α-helix	trans	-52.6	-36.1	179	175.5	0	0	0	0	111.5	I7 I8	V4-I7 PolarHBondContact O-N 3.08Å; V4-I8 HydrophobicContact CG1-CD1 3.91Å; V4-I8 WeakPolarHBondContact O-CG1 3.45Å; V4-I8 PolarHBondContact O-N 2.91Å
5	G	81.8	Confident	81.7	Confident	50 Å²	50	102.1 Å²	102.1	52%	0.515	56%	0.564	S	S	.	*	H	α-helix	trans	-64.8	-37.1	175.3	0	0	0	0	0	114.3	T3 F9	T3-G5 PolarHBondContact O-N 2.94Å; T3-G5 VanDerWaalsContact O-N 3.11Å; G5-F9 WeakPolarHBondContact O-CB 3.36Å; G5-F9 PolarHBondContact O-N 2.92Å
6	Q	79.8	Confident	82.1	Confident	95 Å²	95	101.3 Å²	101.3	44%	0.444	56%	0.558	S	S	.	*	H	α-helix	trans	-66.9	-40.3	174.5	-74.3	175.5	-48.2	0	0	111.3	T3 F9 F10	T3-Q6 VanDerWaalsContact N-OE1 3.16Å; T3-Q6 WeakPolarHBondContact O-CB 3.44Å; T3-Q6 PolarHBondContact O-N 3.03Å; T3-Q6 WeakPolarHBondContact OG1-CG 3.37Å; T3-Q6 PolarHBondContact OG1-OE1 2.81Å; Q6-F9 PolarHBondContact O-N 3.05Å; Q6-F10 HydrophobicContact CB-CD2 4.4Å; Q6-F10 HydrophobicContact CB-CE2 4.27Å; Q6-F10 WeakPolarHBondContact O-CD2 3.5Å; Q6-F10 PolarHBondContact O-N 3.09Å
7	I	80.2	Confident	82.7	Confident	92 Å²	92	100.9 Å²	100.9	47%	0.472	56%	0.559	S	S	.	*	H	α-helix	trans	-62.8	-46.9	178.1	-61.1	171.8	0	0	0	110.3	A2 T3 V4 F9 F10 T11	A2-I7 HydrophobicContact CB-CD1 4.41Å; A2-I7 HydrophobicContact CB-CG1 4.07Å; T3-I7 PolarHBondContact O-N 3.14Å; V4-I7 PolarHBondContact O-N 3.08Å; I7-F9 VanDerWaalsContact C-N 3.33Å; I7-F9 PolarHBondContact O-N 3.25Å; I7-F10 PolarHBondContact O-N 2.95Å; I7-T11 HydrophobicContact CG2-CG2 4.34Å; I7-T11 VanDerWaalsContact O-CG2 3.29Å; I7-T11 WeakPolarHBondContact O-CG2 3.45Å; I7-T11 PolarHBondContact O-N 3.33Å; I7-T11 PolarHBondContact O-OG1 2.85Å; I7-T11 VanDerWaalsContact O-OG1 3.05Å
8	I	84.7	Confident	83.1	Confident	102 Å²	102	101.6 Å²	101.6	52%	0.523	56%	0.561	S	S	.	*	H	α-helix	trans	-62.7	-39.9	177.8	-65.3	167.2	0	0	0	111.4	V4 T11 L12	V4-I8 HydrophobicContact CG1-CD1 3.91Å; V4-I8 WeakPolarHBondContact O-CG1 3.45Å; V4-I8 PolarHBondContact O-N 2.91Å; I8-T11 WeakPolarHBondContact CA-OG1 3.48Å; I8-T11 PolarHBondContact O-OG1 3.1Å; I8-L12 VanDerWaalsContact O-CB 3.29Å; I8-L12 WeakPolarHBondContact O-CB 3.39Å; I8-L12 PolarHBondContact O-N 3.3Å
9	F	82.5	Confident	83.5	Confident	131 Å²	131	101.4 Å²	101.4	58%	0.575	56%	0.558	S	S	*	*	H	α-helix	trans	-64.3	-47.9	177.5	-177.9	-98.7	0	0	0	111.6	G5 Q6 I7 L12 V13	G5-F9 WeakPolarHBondContact O-CB 3.36Å; G5-F9 PolarHBondContact O-N 2.92Å; Q6-F9 PolarHBondContact O-N 3.05Å; I7-F9 VanDerWaalsContact C-N 3.33Å; I7-F9 PolarHBondContact O-N 3.25Å; F9-L12 PolarHBondContact O-N 2.77Å; F9-V13 HydrophobicContact CD1-CG2 4.36Å; F9-V13 HydrophobicContact CE1-CG2 4.03Å; F9-V13 HydrophobicContact CE2-CG2 4.4Å; F9-V13 HydrophobicContact CZ-CG2 4.06Å; F9-V13 VanDerWaalsContact O-CG2 3.27Å; F9-V13 WeakPolarHBondContact O-CG2 3.37Å; F9-V13 PolarHBondContact O-N 2.77Å
10	F	80.3	Confident	84	Confident	129 Å²	129	98.7 Å²	98.7	57%	0.566	55%	0.55	S	S	*	.	H	α-helix	trans	-65.8	-38.8	178.5	-73.5	-61.8	0	0	0	112.4	Q6 I7 V13 T14	Q6-F10 HydrophobicContact CB-CD2 4.4Å; Q6-F10 HydrophobicContact CB-CE2 4.27Å; Q6-F10 WeakPolarHBondContact O-CD2 3.5Å; Q6-F10 PolarHBondContact O-N 3.09Å; I7-F10 PolarHBondContact O-N 2.95Å; F10-V13 PolarHBondContact O-N 2.92Å; F10-T14 VanDerWaalsContact O-CG2 3.3Å; F10-T14 WeakPolarHBondContact O-CG2 3.23Å; F10-T14 PolarHBondContact O-N 3.05Å; F10-T14 PolarHBondContact O-OG1 2.8Å; F10-T14 VanDerWaalsContact O-OG1 3.11Å
11	T	87.3	Confident	84.3	Confident	76 Å²	76	96.6 Å²	96.6	47%	0.466	55%	0.546	S	S	.	.	H	α-helix	trans	-68.3	-36.5	177.1	55.1	0	0	0	0	112.6	I7 I8 T14 L15	I7-T11 HydrophobicContact CG2-CG2 4.34Å; I7-T11 VanDerWaalsContact O-CG2 3.29Å; I7-T11 WeakPolarHBondContact O-CG2 3.45Å; I7-T11 PolarHBondContact O-N 3.33Å; I7-T11 PolarHBondContact O-OG1 2.85Å; I7-T11 VanDerWaalsContact O-OG1 3.05Å; I8-T11 WeakPolarHBondContact CA-OG1 3.48Å; I8-T11 PolarHBondContact O-OG1 3.1Å; T11-T14 WeakPolarHBondContact CA-OG1 3.3Å; T11-T14 PolarHBondContact O-OG1 3.37Å; T11-L15 VanDerWaalsContact O-CB 3.27Å; T11-L15 WeakPolarHBondContact O-CB 3.18Å; T11-L15 PolarHBondContact O-N 3.3Å
12	L	86	Confident	85.4	Confident	100 Å²	100	90.9 Å²	90.9	52%	0.524	51%	0.514	S	S	.	.	H	α-helix	trans	-67.5	-41.6	175	-174	67.7	0	0	0	111.3	I8 F9 L15 N16	I8-L12 VanDerWaalsContact O-CB 3.29Å; I8-L12 WeakPolarHBondContact O-CB 3.39Å; I8-L12 PolarHBondContact O-N 3.3Å; F9-L12 PolarHBondContact O-N 2.77Å; L12-L15 PolarHBondContact O-N 2.96Å; L12-N16 PolarHBondContact O-N 2.89Å; L12-N16 PolarHBondContact O-ND2 2.89Å
13	V	89	Confident	86.6	Confident	65 Å²	65	91.9 Å²	91.9	39%	0.394	51%	0.51	S	S	.	.	H	α-helix	trans	-64.3	-46.4	176.6	171.2	0	0	0	0	110.7	F9 F10 L15 N16 V17	F9-V13 HydrophobicContact CD1-CG2 4.36Å; F9-V13 HydrophobicContact CE1-CG2 4.03Å; F9-V13 HydrophobicContact CE2-CG2 4.4Å; F9-V13 HydrophobicContact CZ-CG2 4.06Å; F9-V13 VanDerWaalsContact O-CG2 3.27Å; F9-V13 WeakPolarHBondContact O-CG2 3.37Å; F9-V13 PolarHBondContact O-N 2.77Å; F10-V13 PolarHBondContact O-N 2.92Å; V13-L15 PolarHBondContact O-N 2.94Å; V13-N16 PolarHBondContact O-N 2.82Å; V13-V17 VanDerWaalsContact O-CG2 3.32Å; V13-V17 WeakPolarHBondContact O-CG2 3.36Å; V13-V17 PolarHBondContact O-N 2.59Å
14	T	88.6	Confident	86.8	Confident	78 Å²	78	92.6 Å²	92.6	48%	0.479	51%	0.509	S	S	.	.	H	α-helix	trans	-64	-40.8	178.2	55.3	0	0	0	0	112	F10 T11 N16 V17 L18	F10-T14 VanDerWaalsContact O-CG2 3.3Å; F10-T14 WeakPolarHBondContact O-CG2 3.23Å; F10-T14 PolarHBondContact O-N 3.05Å; F10-T14 PolarHBondContact O-OG1 2.8Å; F10-T14 VanDerWaalsContact O-OG1 3.11Å; T11-T14 WeakPolarHBondContact CA-OG1 3.3Å; T11-T14 PolarHBondContact O-OG1 3.37Å; T14-N16 PolarHBondContact O-N 2.93Å; T14-V17 PolarHBondContact O-N 2.94Å; T14-L18 WeakPolarHBondContact O-CB 3.25Å; T14-L18 VanDerWaalsContact O-CG 3.29Å; T14-L18 WeakPolarHBondContact O-CG 3.46Å; T14-L18 PolarHBondContact O-N 3.45Å
15	L	90.5	Very high	86.8	Confident	111 Å²	111	91.8 Å²	91.8	58%	0.581	50%	0.501	S	S	*	.	H	α-helix	trans	-61.9	-42.4	176.5	-174.9	65.7	0	0	0	112.1	T11 L12 V13 L18 L19	T11-L15 VanDerWaalsContact O-CB 3.27Å; T11-L15 WeakPolarHBondContact O-CB 3.18Å; T11-L15 PolarHBondContact O-N 3.3Å; L12-L15 PolarHBondContact O-N 2.96Å; V13-L15 PolarHBondContact O-N 2.94Å; L15-L18 PolarHBondContact O-N 3.43Å; L15-L19 WeakPolarHBondContact O-CB 3.41Å; L15-L19 PolarHBondContact O-N 2.84Å
16	N	87.2	Confident	86.9	Confident	90 Å²	90	93.5 Å²	93.5	48%	0.481	50%	0.497	S	S	.	.	H	α-helix	trans	-65.4	-40.4	176.6	-83.2	-75.5	0	0	0	112.2	L12 V13 T14 L19 A20	L12-N16 PolarHBondContact O-N 2.89Å; L12-N16 PolarHBondContact O-ND2 2.89Å; V13-N16 PolarHBondContact O-N 2.82Å; T14-N16 PolarHBondContact O-N 2.93Å; N16-L19 PolarHBondContact O-N 2.86Å; N16-A20 WeakPolarHBondContact O-CB 3.28Å; N16-A20 PolarHBondContact O-N 3.3Å
17	V	92.4	Very high	87	Confident	94 Å²	94	93 Å²	93	57%	0.57	50%	0.497	S	S	*	.	H	α-helix	trans	-63.6	-43.2	175.8	171.3	0	0	0	0	110.9	V13 T14 A20 A21	V13-V17 VanDerWaalsContact O-CG2 3.32Å; V13-V17 WeakPolarHBondContact O-CG2 3.36Å; V13-V17 PolarHBondContact O-N 2.59Å; T14-V17 PolarHBondContact O-N 2.94Å; V17-A20 PolarHBondContact O-N 2.84Å; V17-A21 WeakPolarHBondContact O-CB 3.31Å; V17-A21 PolarHBondContact O-N 3.23Å
18	L	90.6	Very high	86.8	Confident	114 Å²	114	92.3 Å²	92.3	60%	0.597	50%	0.497	S	S	*	.	H	α-helix	trans	-64.2	-42.7	176.6	-71.7	172	0	0	0	111.9	T14 L15 A21 F22	T14-L18 WeakPolarHBondContact O-CB 3.25Å; T14-L18 VanDerWaalsContact O-CG 3.29Å; T14-L18 WeakPolarHBondContact O-CG 3.46Å; T14-L18 PolarHBondContact O-N 3.45Å; L15-L18 PolarHBondContact O-N 3.43Å; L18-A21 PolarHBondContact O-N 3.28Å; L18-F22 WeakPolarHBondContact O-CB 3.41Å; L18-F22 PolarHBondContact O-N 3.16Å
19	L	91.3	Very high	86.2	Confident	97 Å²	97	93.2 Å²	93.2	51%	0.508	50%	0.503	S	S	.	.	H	α-helix	trans	-63.9	-43.9	177.2	-170.4	73	0	0	0	111.4	L15 N16 F22 I23	L15-L19 WeakPolarHBondContact O-CB 3.41Å; L15-L19 PolarHBondContact O-N 2.84Å; N16-L19 PolarHBondContact O-N 2.86Å; L19-F22 PolarHBondContact O-N 2.96Å; L19-I23 HydrophobicContact CG-CD1 4.07Å; L19-I23 VanDerWaalsContact O-CG1 3.27Å; L19-I23 WeakPolarHBondContact O-CG1 3.38Å; L19-I23 PolarHBondContact O-N 2.97Å
20	A	92.3	Very high	85.7	Confident	47 Å²	47	90.6 Å²	90.6	39%	0.388	51%	0.505	S	S	.	.	H	α-helix	trans	-62.7	-44.1	176.5	0	0	0	0	0	111.7	N16 V17 F22 I23 I24	N16-A20 WeakPolarHBondContact O-CB 3.28Å; N16-A20 PolarHBondContact O-N 3.3Å; V17-A20 PolarHBondContact O-N 2.84Å; A20-F22 VanDerWaalsContact C-N 3.32Å; A20-F22 PolarHBondContact O-N 2.91Å; A20-I23 PolarHBondContact O-N 3.02Å; A20-I24 WeakPolarHBondContact O-CB 3.16Å; A20-I24 VanDerWaalsContact O-CG1 3.23Å; A20-I24 WeakPolarHBondContact O-CG1 3.43Å; A20-I24 PolarHBondContact O-N 2.85Å
21	A	89.9	Confident	84.8	Confident	56 Å²	56	92.2 Å²	92.2	46%	0.463	51%	0.512	S	S	.	.	H	α-helix	trans	-61.4	-40.6	175.7	0	0	0	0	0	112	V17 L18 I24 L25	V17-A21 WeakPolarHBondContact O-CB 3.31Å; V17-A21 PolarHBondContact O-N 3.23Å; L18-A21 PolarHBondContact O-N 3.28Å; A21-I24 PolarHBondContact O-N 3.41Å; A21-L25 WeakPolarHBondContact O-CB 3.45Å; A21-L25 PolarHBondContact O-N 2.81Å
22	F	88.9	Confident	83.3	Confident	122 Å²	122	93 Å²	93	54%	0.535	52%	0.521	S	S	.	.	H	α-helix	trans	-66.3	-42	176.6	-173.1	-107.8	0	0	0	112.4	L18 L19 A20 L25 I26	L18-F22 WeakPolarHBondContact O-CB 3.41Å; L18-F22 PolarHBondContact O-N 3.16Å; L19-F22 PolarHBondContact O-N 2.96Å; A20-F22 VanDerWaalsContact C-N 3.32Å; A20-F22 PolarHBondContact O-N 2.91Å; F22-L25 PolarHBondContact O-N 3.27Å; F22-I26 HydrophobicContact CD1-CD1 3.82Å; F22-I26 HydrophobicContact CD1-CG1 4.49Å; F22-I26 HydrophobicContact CE1-CD1 3.28Å; F22-I26 HydrophobicContact CE1-CG1 4.2Å; F22-I26 HydrophobicContact CE2-CD1 4.47Å; F22-I26 HydrophobicContact CZ-CD1 3.66Å; F22-I26 HydrophobicContact CZ-CG1 4.3Å; F22-I26 WeakPolarHBondContact O-CG1 3.29Å; F22-I26 PolarHBondContact O-N 2.87Å
23	I	89.4	Confident	81.8	Confident	84 Å²	84	96.9 Å²	96.9	43%	0.431	53%	0.533	S	S	.	.	H	α-helix	trans	-63	-44.8	174.6	-68.8	165.8	0	0	0	110.4	L19 A20 L25 I26 L27	L19-I23 HydrophobicContact CG-CD1 4.07Å; L19-I23 VanDerWaalsContact O-CG1 3.27Å; L19-I23 WeakPolarHBondContact O-CG1 3.38Å; L19-I23 PolarHBondContact O-N 2.97Å; A20-I23 PolarHBondContact O-N 3.02Å; I23-L25 VanDerWaalsContact C-N 3.3Å; I23-L25 PolarHBondContact O-N 3.3Å; I23-I26 PolarHBondContact O-N 2.76Å; I23-L27 HydrophobicContact CG2-CD1 3.8Å; I23-L27 HydrophobicContact CG2-CG 4.26Å; I23-L27 WeakPolarHBondContact O-CB 3.49Å; I23-L27 VanDerWaalsContact O-CG 3.24Å; I23-L27 WeakPolarHBondContact O-CG 3.33Å; I23-L27 PolarHBondContact O-N 2.88Å
24	I	86.9	Confident	80.1	Confident	104 Å²	104	98.3 Å²	98.3	53%	0.533	55%	0.546	S	S	.	.	H	α-helix	trans	-59.2	-43.6	176	-69.2	164.4	0	0	0	110.3	A20 A21 L27 T28	A20-I24 WeakPolarHBondContact O-CB 3.16Å; A20-I24 VanDerWaalsContact O-CG1 3.23Å; A20-I24 WeakPolarHBondContact O-CG1 3.43Å; A20-I24 PolarHBondContact O-N 2.85Å; A21-I24 PolarHBondContact O-N 3.41Å; I24-L27 PolarHBondContact O-N 2.97Å; I24-T28 HydrophobicContact CG2-CG2 4.23Å; I24-T28 VanDerWaalsContact O-CG2 3.22Å; I24-T28 WeakPolarHBondContact O-CG2 3.47Å; I24-T28 PolarHBondContact O-N 2.93Å; I24-T28 PolarHBondContact O-OG1 2.89Å
25	L	84.3	Confident	78.5	Confident	91 Å²	91	100.4 Å²	100.4	48%	0.476	56%	0.559	S	S	.	*	H	α-helix	trans	-62.8	-43.5	176.7	-178.8	65.5	0	0	0	112.5	A21 F22 I23 L27 T28 L29	A21-L25 WeakPolarHBondContact O-CB 3.45Å; A21-L25 PolarHBondContact O-N 2.81Å; F22-L25 PolarHBondContact O-N 3.27Å; I23-L25 VanDerWaalsContact C-N 3.3Å; I23-L25 PolarHBondContact O-N 3.3Å; L25-L27 VanDerWaalsContact C-N 3.33Å; L25-L27 PolarHBondContact O-N 2.91Å; L25-T28 WeakPolarHBondContact CA-OG1 3.43Å; L25-T28 PolarHBondContact O-N 2.83Å; L25-T28 PolarHBondContact O-OG1 2.92Å; L25-L29 HydrophobicContact CD1-CD1 4.21Å; L25-L29 HydrophobicContact CD1-CG 4.4Å; L25-L29 HydrophobicContact CG-CD1 4.08Å; L25-L29 WeakPolarHBondContact O-CB 3.46Å; L25-L29 VanDerWaalsContact O-CG 3.25Å; L25-L29 WeakPolarHBondContact O-CG 3.42Å; L25-L29 PolarHBondContact O-N 3.28Å
26	I	82.9	Confident	77.2	Confident	85 Å²	85	95.8 Å²	95.8	44%	0.436	54%	0.536	S	S	.	.	H	α-helix	trans	-63.2	-42.6	175.4	-71.9	-179.8	0	0	0	110.4	F22 I23 L29 A30	F22-I26 HydrophobicContact CD1-CD1 3.82Å; F22-I26 HydrophobicContact CD1-CG1 4.49Å; F22-I26 HydrophobicContact CE1-CD1 3.28Å; F22-I26 HydrophobicContact CE1-CG1 4.2Å; F22-I26 HydrophobicContact CE2-CD1 4.47Å; F22-I26 HydrophobicContact CZ-CD1 3.66Å; F22-I26 HydrophobicContact CZ-CG1 4.3Å; F22-I26 WeakPolarHBondContact O-CG1 3.29Å; F22-I26 PolarHBondContact O-N 2.87Å; I23-I26 PolarHBondContact O-N 2.76Å; I26-L29 PolarHBondContact O-N 2.96Å; I26-A30 WeakPolarHBondContact O-CB 3.31Å; I26-A30 PolarHBondContact O-N 2.85Å
27	L	81.6	Confident	76.9	Confident	84 Å²	84	98.4 Å²	98.4	44%	0.44	54%	0.543	S	S	.	.	H	α-helix	trans	-64.6	-42.2	177.1	-68.9	170.8	0	0	0	111.1	I23 I24 L25 L29 A30 F31	I23-L27 HydrophobicContact CG2-CD1 3.8Å; I23-L27 HydrophobicContact CG2-CG 4.26Å; I23-L27 WeakPolarHBondContact O-CB 3.49Å; I23-L27 VanDerWaalsContact O-CG 3.24Å; I23-L27 WeakPolarHBondContact O-CG 3.33Å; I23-L27 PolarHBondContact O-N 2.88Å; I24-L27 PolarHBondContact O-N 2.97Å; L25-L27 VanDerWaalsContact C-N 3.33Å; L25-L27 PolarHBondContact O-N 2.91Å; L27-L29 VanDerWaalsContact C-N 3.32Å; L27-L29 PolarHBondContact O-N 2.84Å; L27-A30 PolarHBondContact O-N 3.43Å; L27-F31 HydrophobicContact CB-CD2 4.38Å; L27-F31 HydrophobicContact CD2-CD2 4.19Å; L27-F31 HydrophobicContact CD2-CE2 3.79Å; L27-F31 VanDerWaalsContact O-CB 3.28Å; L27-F31 WeakPolarHBondContact O-CB 3.31Å; L27-F31 VanDerWaalsContact O-CD2 3.24Å; L27-F31 WeakPolarHBondContact O-CD2 3.36Å; L27-F31 PolarHBondContact O-N 2.92Å
28	T	77	Confident	76.7	Confident	78 Å²	78	94.3 Å²	94.3	48%	0.479	52%	0.518	S	S	.	.	H	α-helix	trans	-66.7	-33.9	177.7	60.4	0	0	0	0	112.7	I24 L25 S32	I24-T28 HydrophobicContact CG2-CG2 4.23Å; I24-T28 VanDerWaalsContact O-CG2 3.22Å; I24-T28 WeakPolarHBondContact O-CG2 3.47Å; I24-T28 PolarHBondContact O-N 2.93Å; I24-T28 PolarHBondContact O-OG1 2.89Å; L25-T28 WeakPolarHBondContact CA-OG1 3.43Å; L25-T28 PolarHBondContact O-N 2.83Å; L25-T28 PolarHBondContact O-OG1 2.92Å; T28-S32 WeakPolarHBondContact O-CA 3.43Å; T28-S32 VanDerWaalsContact O-CB 3.28Å; T28-S32 WeakPolarHBondContact O-CB 3.04Å; T28-S32 PolarHBondContact O-N 2.79Å
29	L	72.1	Confident	76.8	Confident	122 Å²	122	90.4 Å²	90.4	64%	0.639	50%	0.499	S	S	*	.	H	α-helix	trans	-74.1	-41.8	174.4	-68.8	171.3	0	0	0	112	L25 I26 L27 S32	L25-L29 HydrophobicContact CD1-CD1 4.21Å; L25-L29 HydrophobicContact CD1-CG 4.4Å; L25-L29 HydrophobicContact CG-CD1 4.08Å; L25-L29 WeakPolarHBondContact O-CB 3.46Å; L25-L29 VanDerWaalsContact O-CG 3.25Å; L25-L29 WeakPolarHBondContact O-CG 3.42Å; L25-L29 PolarHBondContact O-N 3.28Å; I26-L29 PolarHBondContact O-N 2.96Å; L27-L29 VanDerWaalsContact C-N 3.32Å; L27-L29 PolarHBondContact O-N 2.84Å; L29-S32 WeakPolarHBondContact O-CB 3.31Å; L29-S32 PolarHBondContact O-N 2.88Å
30	A	72.4	Confident	77	Confident	76 Å²	76	86.7 Å²	86.7	63%	0.628	48%	0.481	S	S	*	.	H	α-helix	trans	-70.4	-33	179.1	0	0	0	0	0	112.8	I26 L27	I26-A30 WeakPolarHBondContact O-CB 3.31Å; I26-A30 PolarHBondContact O-N 2.85Å; L27-A30 PolarHBondContact O-N 3.43Å
31	F	60.2	Low	77	Confident	163 Å²	163	88.8 Å²	88.8	72%	0.715	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	8.6	175.7	-70.1	-80.4	0	0	0	113.3	L27 K33	L27-F31 HydrophobicContact CB-CD2 4.38Å; L27-F31 HydrophobicContact CD2-CD2 4.19Å; L27-F31 HydrophobicContact CD2-CE2 3.79Å; L27-F31 VanDerWaalsContact O-CB 3.28Å; L27-F31 WeakPolarHBondContact O-CB 3.31Å; L27-F31 VanDerWaalsContact O-CD2 3.24Å; L27-F31 WeakPolarHBondContact O-CD2 3.36Å; L27-F31 PolarHBondContact O-N 2.92Å; F31-K33 PolarHBondContact O-N 3.44Å
32	S	56.4	Low	77.2	Confident	91 Å²	91	88.1 Å²	88.1	64%	0.636	48%	0.482	S	S	*	.			trans	-68	86.6	167.8	-132.9	0	0	0	0	107.8	T28 L29 S34	T28-S32 WeakPolarHBondContact O-CA 3.43Å; T28-S32 VanDerWaalsContact O-CB 3.28Å; T28-S32 WeakPolarHBondContact O-CB 3.04Å; T28-S32 PolarHBondContact O-N 2.79Å; L29-S32 WeakPolarHBondContact O-CB 3.31Å; L29-S32 PolarHBondContact O-N 2.88Å; S32-S34 PolarHBondContact O-N 2.9Å
33	K	54	Low	77.5	Confident	182 Å²	182	84.8 Å²	84.8	79%	0.791	47%	0.471	S	S	*	.			trans	-60.2	115.6	176.2	-159.8	175.6	-174	-177.8	0	106.1	F31 T35	F31-K33 PolarHBondContact O-N 3.44Å; K33-T35 VanDerWaalsContact C-N 3.32Å; K33-T35 PolarHBondContact O-N 2.92Å
34	S	53.1	Low	77.9	Confident	95 Å²	95	85.3 Å²	85.3	66%	0.664	47%	0.471	S	S	*	.			trans	-61.3	101.7	170.4	59.2	0	0	0	0	107	S32 S36	S32-S34 PolarHBondContact O-N 2.9Å; S34-S36 PolarHBondContact O-N 2.83Å; S34-S36 VanDerWaalsContact O-N 3.15Å
35	T	55	Low	78.4	Confident	122 Å²	122	80.5 Å²	80.5	75%	0.748	45%	0.446	S	S	*	.			trans	-71.9	112	175.4	52.2	0	0	0	0	106.4	K33 K37	K33-T35 VanDerWaalsContact C-N 3.32Å; K33-T35 PolarHBondContact O-N 2.92Å; T35-K37 PolarHBondContact O-N 2.83Å
36	S	63	Low	79	Confident	14 Å²	14	76.7 Å²	76.7	10%	0.098	43%	0.426	C	S	.	.			trans	-54.7	112.8	176	-48.5	0	0	0	0	109.5	S34 S63 V139	S34-S36 PolarHBondContact O-N 2.83Å; S34-S36 VanDerWaalsContact O-N 3.15Å; S36-S63 VanDerWaalsContact CA-CB 3.43Å; S36-S63 WeakPolarHBondContact CA-OG 3.47Å; S36-S63 VanDerWaalsContact CB-CB 3.49Å; S36-S63 WeakPolarHBondContact CB-OG 3.45Å; S36-S63 WeakPolarHBondContact OG-CB 3.3Å; S36-V139 PolarHBondContact OG-O 2.78Å
37	K	80.8	Confident	79.7	Confident	146 Å²	146	72.7 Å²	72.7	64%	0.635	41%	0.406	S	S	*	.			trans	-86.5	119.8	-174.3	-167.1	177.8	179.4	177	0	109.2	T35 V39 S60	T35-K37 PolarHBondContact O-N 2.83Å; K37-V39 HydrophobicContact CB-CG1 4.3Å; K37-V39 HydrophobicContact CD-CG1 3.99Å; K37-V39 HydrophobicContact CG-CG1 3.8Å; K37-S60 WeakPolarHBondContact O-CB 3.24Å; K37-S60 PolarHBondContact O-N 3Å
38	V	89.6	Confident	80.4	Confident	7 Å²	7	70 Å²	70	4%	0.042	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	127.6	167.2	179.3	0	0	0	0	108.1	C57 Y58 I135 V144	V38-C57 VanDerWaalsContact CG1-SG 3.55Å; V38-Y58 WeakPolarHBondContact CA-O 3.31Å; V38-I135 HydrophobicContact CG1-CD1 3.97Å; V38-I135 HydrophobicContact CG1-CG1 4.16Å; V38-I135 HydrophobicContact CG2-CB 3.9Å; V38-I135 HydrophobicContact CG2-CD1 4.16Å; V38-I135 HydrophobicContact CG2-CG1 4.2Å; V38-V144 HydrophobicContact CG1-CB 4.37Å; V38-V144 HydrophobicContact CG1-CG1 3.97Å
39	V	92.6	Very high	81.4	Confident	32 Å²	32	68.7 Å²	68.7	19%	0.194	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	163.7	-173.6	-64.8	0	0	0	0	110.9	K37 C57 Y58	K37-V39 HydrophobicContact CB-CG1 4.3Å; K37-V39 HydrophobicContact CD-CG1 3.99Å; K37-V39 HydrophobicContact CG-CG1 3.8Å; V39-C57 WeakPolarHBondContact O-CA 3.33Å; V39-Y58 HydrophobicContact CG2-CD2 3.65Å; V39-Y58 HydrophobicContact CG2-CE1 4.39Å; V39-Y58 HydrophobicContact CG2-CE2 3.28Å; V39-Y58 HydrophobicContact CG2-CG 4.35Å; V39-Y58 PolarHBondContact N-O 2.85Å; V39-Y58 PolarHBondContact O-N 2.83Å
40	S	94	Very high	82.6	Confident	19 Å²	19	65.1 Å²	65.1	13%	0.133	38%	0.375	C	S	.	.			trans	-126.7	139.1	173.6	174.1	0	0	0	0	108.1	N42 S56	S40-N42 VanDerWaalsContact C-N 3.28Å; S40-N42 PolarHBondContact OG-N 3.15Å; S40-N42 PolarHBondContact OG-O 3.46Å; S40-S56 WeakPolarHBondContact CB-O 3.49Å; S40-S56 PolarHBondContact OG-O 2.86Å; S40-S56 PolarHBondContact OG-OG 2.82Å
41	S	93.5	Very high	83.8	Confident	91 Å²	91	67.1 Å²	67.1	64%	0.636	37%	0.371	S	S	*	.	S	Bend	trans	-75.6	-22.8	173.9	55.8	0	0	0	0	111.7	S56	S41-S56 PolarHBondContact N-OG 2.81Å; S41-S56 VanDerWaalsContact OG-CB 3.29Å; S41-S56 WeakPolarHBondContact OG-CB 3.47Å; S41-S56 PolarHBondContact OG-OG 2.85Å; S41-S56 VanDerWaalsContact OG-OG 3.08Å
42	N	93.8	Very high	85.6	Confident	42 Å²	42	63.2 Å²	63.2	23%	0.225	36%	0.358	C	S	.	.			trans	-141.1	106.9	173.1	-169.4	-10.5	0	0	0	110.8	S40 K44 P45 S56	S40-N42 VanDerWaalsContact C-N 3.28Å; S40-N42 PolarHBondContact OG-N 3.15Å; S40-N42 PolarHBondContact OG-O 3.46Å; N42-K44 VanDerWaalsContact C-N 3.29Å; N42-K44 WeakPolarHBondContact OD1-CA 3.36Å; N42-K44 PolarHBondContact OD1-N 3.42Å; N42-K44 PolarHBondContact OD1-O 2.93Å; N42-P45 WeakPolarHBondContact ND2-CA 3.3Å; N42-S56 PolarHBondContact N-OG 2.88Å
43	T	95.8	Very high	87.6	Confident	52 Å²	52	60.7 Å²	60.7	32%	0.319	34%	0.336	S	S	.	.	S	Bend	trans	-81.7	-7.9	177.1	54.3	0	0	0	0	113.3	V144 I146 Q147 A250	T43-V144 HydrophobicContact CG2-CG2 4.5Å; T43-I146 CarbonylContact O-C 3.48Å; T43-I146 WeakPolarHBondContact O-CA 3.42Å; T43-Q147 PolarHBondContact O-N 3.02Å; T43-A250 WeakPolarHBondContact OG1-CB 3.48Å
44	K	96.5	Very high	89.7	Confident	96 Å²	96	56.1 Å²	56.1	42%	0.417	32%	0.32	S	S	.	.	S	Bend	trans	-136.2	58.4	178.5	-63.2	-171.9	179.4	-175.4	0	111.3	N42 Q147 R149 A250	N42-K44 VanDerWaalsContact C-N 3.29Å; N42-K44 WeakPolarHBondContact OD1-CA 3.36Å; N42-K44 PolarHBondContact OD1-N 3.42Å; N42-K44 PolarHBondContact OD1-O 2.93Å; K44-Q147 VanDerWaalsContact CA-O 3.31Å; K44-Q147 WeakPolarHBondContact CA-O 3.41Å; K44-Q147 HydrophobicContact CG-CB 4.31Å; K44-R149 PolarHBondContact O-NH2 3.03Å; K44-A250 HydrophobicContact CB-CB 4.4Å; K44-A250 HydrophobicContact CD-CB 3.91Å; K44-A250 HydrophobicContact CG-CB 3.99Å
45	P	97.1	Very high	91.9	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.019	29%	0.288	C	S	.	.			trans	-63.8	149.4	-179.8	28.1	-32.8	0	0	0	111.6	N42 L55 I146 L148 R149	N42-P45 WeakPolarHBondContact ND2-CA 3.3Å; P45-L55 HydrophobicContact CG-CD2 3.58Å; P45-I146 VanDerWaalsContact CD-CG2 3.47Å; P45-I146 HydrophobicContact CG-CG2 3.78Å; P45-L148 HydrophobicContact CG-CD1 4.13Å; P45-R149 PolarHBondContact O-N 3.43Å
46	V	97.4	Very high	93.9	Very high	10 Å²	10	46.4 Å²	46.4	6%	0.061	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	115.7	173.4	-177.8	0	0	0	0	107.9	Q53 R149 A151 L225 V226 F247	V46-Q53 PolarHBondContact O-OE1 3.45Å; V46-R149 CarbonylContact C-O 3.59Å; V46-R149 WeakPolarHBondContact CA-O 3.39Å; V46-A151 HydrophobicContact CG1-CB 3.72Å; V46-L225 HydrophobicContact CG1-CB 4.06Å; V46-L225 HydrophobicContact CG2-CB 4.32Å; V46-L225 HydrophobicContact CG2-CD2 4.48Å; V46-V226 HydrophobicContact CG1-CG2 3.82Å; V46-F247 HydrophobicContact CB-CB 4.46Å; V46-F247 HydrophobicContact CB-CD1 4.03Å; V46-F247 HydrophobicContact CG1-CD1 4.32Å; V46-F247 HydrophobicContact CG2-CB 4.43Å
47	A	97.5	Very high	95.4	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.008	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	140.2	176.5	0	0	0	0	0	111.6	Q53 V123 L148 R149 A151	A47-Q53 HydrophobicContact CB-CB 3.89Å; A47-Q53 HydrophobicContact CB-CG 3.94Å; A47-V123 HydrophobicContact CB-CB 4.18Å; A47-V123 HydrophobicContact CB-CG1 3.83Å; A47-V123 HydrophobicContact CB-CG2 4Å; A47-L148 HydrophobicContact CB-CD1 3.83Å; A47-R149 PolarHBondContact N-O 2.85Å; A47-A151 PolarHBondContact O-N 2.84Å
48	N	97.8	Very high	96	Very high	28 Å²	28	42.3 Å²	42.3	15%	0.15	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	128.8	166.9	-156.2	4.1	0	0	0	109	G50 E51 A151 V152 F153	N48-G50 PolarHBondContact O-N 3.35Å; N48-E51 HydrophobicContact CB-CB 4.08Å; N48-E51 HydrophobicContact CB-CG 3.84Å; N48-E51 WeakPolarHBondContact O-CB 3.22Å; N48-E51 PolarHBondContact O-N 2.86Å; N48-E51 VanDerWaalsContact O-N 3.15Å; N48-A151 CarbonylContact C-O 3.56Å; N48-A151 WeakPolarHBondContact CA-O 3.47Å; N48-A151 PolarHBondContact OD1-O 2.79Å; N48-V152 WeakPolarHBondContact OD1-CA 3.42Å; N48-F153 HydrophobicContact CB-CD1 4.21Å; N48-F153 HydrophobicContact CB-CE1 3.5Å; N48-F153 VanDerWaalsContact CB-CE1 3.5Å; N48-F153 HydrophobicContact CB-CE2 4.22Å; N48-F153 HydrophobicContact CB-CZ 3.51Å; N48-F153 PolarHBondContact ND2-O 2.78Å; N48-F153 PolarHBondContact OD1-N 3.07Å; N48-F153 VanDerWaalsContact OD1-N 3.07Å
49	L	97.3	Very high	96	Very high	50 Å²	50	42 Å²	42	26%	0.262	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	136.5	178.1	-65.8	-176.4	0	0	0	111	E51 V123 T150 A151 V152	L49-E51 VanDerWaalsContact C-N 3.26Å; L49-E51 PolarHBondContact O-N 2.77Å; L49-V123 HydrophobicContact CD2-CG1 4.23Å; L49-T150 HydrophobicContact CD2-CG2 3.85Å; L49-A151 PolarHBondContact N-O 3.04Å; L49-V152 HydrophobicContact CB-CG2 4.1Å; L49-V152 HydrophobicContact CD1-CG2 3.75Å; L49-V152 HydrophobicContact CG-CG2 4.07Å
50	G	97	Very high	95.5	Very high	48 Å²	48	41.9 Å²	41.9	50%	0.495	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	87	-19	-176.3	0	0	0	0	0	114.6	N48 S122 V123	N48-G50 PolarHBondContact O-N 3.35Å; G50-S122 WeakPolarHBondContact O-CA 3.24Å; G50-V123 PolarHBondContact N-O 3.1Å
51	E	97.9	Very high	94.1	Very high	117 Å²	117	44.5 Å²	44.5	55%	0.547	26%	0.257	S	S	.	.	S	Bend	trans	-91.3	168.5	178.2	-61.3	-63.5	156.6	0	0	112	N48 L49 S122 V123	N48-E51 HydrophobicContact CB-CB 4.08Å; N48-E51 HydrophobicContact CB-CG 3.84Å; N48-E51 WeakPolarHBondContact O-CB 3.22Å; N48-E51 PolarHBondContact O-N 2.86Å; N48-E51 VanDerWaalsContact O-N 3.15Å; L49-E51 VanDerWaalsContact C-N 3.26Å; L49-E51 PolarHBondContact O-N 2.77Å; E51-S122 WeakPolarHBondContact O-CA 3.4Å; E51-S122 PolarHBondContact O-N 3.11Å; E51-V123 WeakPolarHBondContact O-CG2 3.38Å; E51-V123 PolarHBondContact O-N 3.37Å
52	D	98.5	Very high	92.6	Very high	82 Å²	82	49.1 Å²	49.1	44%	0.439	27%	0.268	S	S	.	.			trans	-84.6	143.1	175.2	-71.1	1.4	0	0	0	111.2	L119 L120 R121 S122	D52-L119 HydrophobicContact CB-CD1 4.03Å; D52-L120 WeakPolarHBondContact CA-O 3.5Å; D52-R121 WeakPolarHBondContact OD1-CA 3.2Å; D52-R121 WeakPolarHBondContact OD1-CB 3.48Å; D52-S122 PolarHBondContact OD1-N 2.72Å
53	Q	98	Very high	90.9	Very high	37 Å²	37	48 Å²	48	17%	0.173	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	136.7	178.6	179.6	62.6	57.6	0	0	111.6	V46 A47 L55 L120 V123 L148	V46-Q53 PolarHBondContact O-OE1 3.45Å; A47-Q53 HydrophobicContact CB-CB 3.89Å; A47-Q53 HydrophobicContact CB-CG 3.94Å; Q53-L55 HydrophobicContact CG-CD2 4.01Å; Q53-L120 PolarHBondContact N-O 3.35Å; Q53-L120 PolarHBondContact O-N 2.91Å; Q53-V123 HydrophobicContact CB-CG2 3.69Å; Q53-L148 HydrophobicContact CG-CD1 4.03Å
54	I	98.3	Very high	89	Confident	87 Å²	87	50.7 Å²	50.7	45%	0.446	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	125.1	169.1	-63.4	177	0	0	0	109.8	L118 L119	I54-L118 CarbonylContact C-O 3.57Å; I54-L118 VanDerWaalsContact CA-O 3.28Å; I54-L118 WeakPolarHBondContact CA-O 3.41Å; I54-L119 HydrophobicContact CG1-CD1 4.15Å
55	L	98.4	Very high	87.1	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	111	167.2	-52.5	-176.4	0	0	0	108.3	P45 Q53 W75 S117 L118 Y131 I146 L148	P45-L55 HydrophobicContact CG-CD2 3.58Å; Q53-L55 HydrophobicContact CG-CD2 4.01Å; L55-W75 HydrophobicContact CB-CH2 3.43Å; L55-W75 VanDerWaalsContact CB-CH2 3.43Å; L55-W75 HydrophobicContact CB-CZ2 4.24Å; L55-W75 HydrophobicContact CB-CZ3 3.82Å; L55-W75 HydrophobicContact CD1-CE3 4.47Å; L55-W75 HydrophobicContact CD1-CH2 4.37Å; L55-W75 HydrophobicContact CD1-CZ3 3.87Å; L55-W75 WeakPolarHBondContact O-CZ2 3.46Å; L55-S117 VanDerWaalsContact O-CA 3.28Å; L55-S117 WeakPolarHBondContact O-CA 3.25Å; L55-S117 WeakPolarHBondContact O-CB 3.15Å; L55-L118 HydrophobicContact CB-CB 4.34Å; L55-L118 HydrophobicContact CD1-CD2 4.26Å; L55-L118 PolarHBondContact N-O 2.93Å; L55-L118 PolarHBondContact O-N 3.33Å; L55-Y131 HydrophobicContact CD1-CD1 3.92Å; L55-Y131 HydrophobicContact CD1-CD2 4.06Å; L55-Y131 HydrophobicContact CD1-CE1 4.38Å; L55-Y131 HydrophobicContact CD1-CG 3.76Å; L55-I146 HydrophobicContact CB-CD1 4.34Å; L55-I146 HydrophobicContact CD2-CG2 4.2Å; L55-L148 HydrophobicContact CD2-CB 4.44Å; L55-L148 HydrophobicContact CD2-CD1 4.08Å
56	S	97.1	Very high	85.5	Confident	12 Å²	12	55.9 Å²	55.9	8%	0.084	31%	0.307	C	S	.	.			trans	-72.9	130.7	-174.6	53.1	0	0	0	0	112.2	S40 S41 N42 S117 I146	S40-S56 WeakPolarHBondContact CB-O 3.49Å; S40-S56 PolarHBondContact OG-O 2.86Å; S40-S56 PolarHBondContact OG-OG 2.82Å; S41-S56 PolarHBondContact N-OG 2.81Å; S41-S56 VanDerWaalsContact OG-CB 3.29Å; S41-S56 WeakPolarHBondContact OG-CB 3.47Å; S41-S56 PolarHBondContact OG-OG 2.85Å; S41-S56 VanDerWaalsContact OG-OG 3.08Å; N42-S56 PolarHBondContact N-OG 2.88Å; S56-S117 WeakPolarHBondContact CA-OG 3.43Å; S56-I146 VanDerWaalsContact O-CD1 3.24Å; S56-I146 WeakPolarHBondContact O-CD1 3.48Å
57	C	95.6	Very high	83.9	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.339	C	S	.	.			trans	-150.9	120.5	172.4	179.7	0	0	0	0	109.6	V38 V39 W75 A116 S117 C133 V144	V38-C57 VanDerWaalsContact CG1-SG 3.55Å; V39-C57 WeakPolarHBondContact O-CA 3.33Å; C57-W75 HydrophobicContact CB-CH2 3.97Å; C57-W75 HydrophobicContact CB-CZ2 3.45Å; C57-W75 VanDerWaalsContact CB-CZ2 3.45Å; C57-A116 CarbonylContact O-C 3.57Å; C57-A116 WeakPolarHBondContact O-CA 3.32Å; C57-A116 PolarHBondContact O-N 2.9Å; C57-S117 PolarHBondContact N-OG 3.4Å; C57-S117 VanDerWaalsContact N-OG 3.14Å; C57-S117 PolarHBondContact O-N 3.48Å; C57-C133 HydrophobicContact CB-CB 3.61Å; C57-C133 WeakPolarHBondContact CB-SG 3.21Å; C57-C133 WeakPolarHBondContact SG-CB 3.13Å; C57-C133 CovalentContact SG-SG 2.03Å; C57-C133 PolarHBondContact SG-SG 3.17Å; C57-V144 HydrophobicContact CB-CG1 4.27Å
58	Y	92.5	Very high	82.5	Confident	75 Å²	75	64.6 Å²	64.6	29%	0.294	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	160.1	-177.3	56.5	-87.5	0	0	0	112.8	V38 V39 G114	V38-Y58 WeakPolarHBondContact CA-O 3.31Å; V39-Y58 HydrophobicContact CG2-CD2 3.65Å; V39-Y58 HydrophobicContact CG2-CE1 4.39Å; V39-Y58 HydrophobicContact CG2-CE2 3.28Å; V39-Y58 HydrophobicContact CG2-CG 4.35Å; V39-Y58 PolarHBondContact N-O 2.85Å; V39-Y58 PolarHBondContact O-N 2.83Å; Y58-G114 CarbonylContact C-O 3.51Å; Y58-G114 WeakPolarHBondContact CA-O 3.38Å; Y58-G114 WeakPolarHBondContact CB-O 3.47Å
59	V	89.4	Confident	81.5	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.006	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	127.7	172.4	-177	0	0	0	0	109.2	S63 L68 G114 I135 A140	V59-S63 WeakPolarHBondContact CG1-OG 3.39Å; V59-L68 HydrophobicContact CG2-CD1 4.14Å; V59-L68 HydrophobicContact CG2-CD2 4.43Å; V59-G114 PolarHBondContact N-O 2.81Å; V59-I135 HydrophobicContact CG2-CD1 3.99Å; V59-I135 HydrophobicContact CG2-CG2 4.29Å; V59-A140 HydrophobicContact CG1-CB 3.94Å; V59-A140 HydrophobicContact CG2-CB 3.86Å
60	S	82.4	Confident	80.9	Confident	29 Å²	29	69.5 Å²	69.5	20%	0.203	37%	0.372	C	S	.	.			trans	-55.1	142.4	-179.6	-177.2	0	0	0	0	112.4	K37 E62 S63 Q64	K37-S60 WeakPolarHBondContact O-CB 3.24Å; K37-S60 PolarHBondContact O-N 3Å; S60-E62 VanDerWaalsContact C-N 3.3Å; S60-E62 PolarHBondContact O-N 2.82Å; S60-S63 CarbonylContact O-C 3.43Å; S60-S63 WeakPolarHBondContact O-CA 3.38Å; S60-S63 PolarHBondContact O-N 3.01Å; S60-S63 PolarHBondContact O-OG 2.85Å; S60-Q64 PolarHBondContact O-N 2.98Å
61	A	65.6	Low	80.6	Confident	73 Å²	73	67.8 Å²	67.8	60%	0.603	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-59.5	-33.5	-175.3	0	0	0	0	0	114.1	S63 Q64	A61-S63 PolarHBondContact O-N 3Å; A61-Q64 PolarHBondContact O-N 3.12Å
62	E	61.5	Low	80.4	Confident	189 Å²	189	63.6 Å²	63.6	88%	0.883	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-61.4	-16.8	174.5	-65.7	174.8	-175.3	0	0	113.1	S60	S60-E62 VanDerWaalsContact C-N 3.3Å; S60-E62 PolarHBondContact O-N 2.82Å
63	S	56.8	Low	80.4	Confident	18 Å²	18	59.7 Å²	59.7	13%	0.126	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-123.3	10.4	-177	57.2	0	0	0	0	113.5	S36 V59 S60 A61 P65	S36-S63 VanDerWaalsContact CA-CB 3.43Å; S36-S63 WeakPolarHBondContact CA-OG 3.47Å; S36-S63 VanDerWaalsContact CB-CB 3.49Å; S36-S63 WeakPolarHBondContact CB-OG 3.45Å; S36-S63 WeakPolarHBondContact OG-CB 3.3Å; V59-S63 WeakPolarHBondContact CG1-OG 3.39Å; S60-S63 CarbonylContact O-C 3.43Å; S60-S63 WeakPolarHBondContact O-CA 3.38Å; S60-S63 PolarHBondContact O-N 3.01Å; S60-S63 PolarHBondContact O-OG 2.85Å; A61-S63 PolarHBondContact O-N 3Å; S63-P65 WeakPolarHBondContact O-CD 3.5Å
64	Q	56.5	Low	80.4	Confident	108 Å²	108	58.4 Å²	58.4	51%	0.505	31%	0.31	S	S	.	.			trans	-70.6	109.1	177.9	-84.4	178.3	10.3	0	0	109.8	S60 A61	S60-Q64 PolarHBondContact O-N 2.98Å; A61-Q64 PolarHBondContact O-N 3.12Å
65	P	57.7	Low	80.4	Confident	42 Å²	42	54.3 Å²	54.3	27%	0.273	29%	0.289	S	S	.	.			trans	-79.1	153.5	168.6	27.3	-14.1	0	0	0	108.5	S63 R67 L68 V139	S63-P65 WeakPolarHBondContact O-CD 3.5Å; P65-R67 PolarHBondContact O-N 3.03Å; P65-L68 HydrophobicContact CG-CD2 3.5Å; P65-L68 VanDerWaalsContact CG-CD2 3.5Å; P65-L68 HydrophobicContact CG-CG 4.23Å; P65-V139 HydrophobicContact CB-CG2 4.3Å; P65-V139 HydrophobicContact CG-CB 4.16Å; P65-V139 HydrophobicContact CG-CG2 3.47Å; P65-V139 VanDerWaalsContact CG-CG2 3.47Å
66	N	61.6	Low	80.4	Confident	167 Å²	167	58.5 Å²	58.5	89%	0.893	31%	0.309	S	S	*	.	S	Bend	trans	-52.6	-27	178.1	-80	1.5	0	0	0	113.3
67	R	64.2	Low	80.4	Confident	191 Å²	191	58.1 Å²	58.1	72%	0.721	31%	0.305	S	S	*	.			trans	-150.6	142.2	164.3	-66.1	-164.1	-179.5	-107.3	0.5	110.5	P65 G69	P65-R67 PolarHBondContact O-N 3.03Å; R67-G69 VanDerWaalsContact C-N 3.27Å; R67-G69 PolarHBondContact O-N 2.97Å
68	L	69.4	Low	80.5	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.01	33%	0.334	C	S	.	.			trans	-80	-4.1	175.9	-70.2	175.1	0	0	0	114.1	V59 P65 V71 S137 V139 A140	V59-L68 HydrophobicContact CG2-CD1 4.14Å; V59-L68 HydrophobicContact CG2-CD2 4.43Å; P65-L68 HydrophobicContact CG-CD2 3.5Å; P65-L68 VanDerWaalsContact CG-CD2 3.5Å; P65-L68 HydrophobicContact CG-CG 4.23Å; L68-V71 HydrophobicContact CB-CG2 3.31Å; L68-V71 HydrophobicContact CD1-CG2 3.94Å; L68-V71 HydrophobicContact CG-CG2 4.3Å; L68-S137 WeakPolarHBondContact O-CB 3.37Å; L68-V139 HydrophobicContact CB-CG2 4.48Å; L68-V139 HydrophobicContact CD2-CG2 3.66Å; L68-A140 HydrophobicContact CD2-CB 3.81Å
69	G	75.8	Confident	80.6	Confident	47 Å²	47	64.6 Å²	64.6	49%	0.485	35%	0.349	S	S	.	.			trans	69.7	-129	-177	0	0	0	0	0	111.9	R67	R67-G69 VanDerWaalsContact C-N 3.27Å; R67-G69 PolarHBondContact O-N 2.97Å
70	E	85.4	Confident	80.9	Confident	134 Å²	134	68.6 Å²	68.6	63%	0.626	37%	0.369	S	S	*	.	S	Bend	trans	-80.3	121.7	172.5	-170.5	176	179	0	0	109.8	N88 S137	E70-N88 PolarHBondContact OE1-OD1 2.83Å; E70-S137 WeakPolarHBondContact O-CA 3.38Å; E70-S137 WeakPolarHBondContact O-CB 3.35Å
71	V	90.2	Very high	81.5	Confident	12 Å²	12	68.7 Å²	68.7	7%	0.073	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	129.5	-176	-174.2	0	0	0	0	109.1	L68 V73 V111 I135	L68-V71 HydrophobicContact CB-CG2 3.31Å; L68-V71 HydrophobicContact CD1-CG2 3.94Å; L68-V71 HydrophobicContact CG-CG2 4.3Å; V71-V73 HydrophobicContact CG1-CG2 4.08Å; V71-V111 HydrophobicContact CB-CG1 4.09Å; V71-V111 HydrophobicContact CG1-CG1 3.84Å; V71-I135 HydrophobicContact CG1-CG2 3.89Å
72	S	94.4	Very high	83.1	Confident	29 Å²	29	67 Å²	67	20%	0.203	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	137.2	164.1	69.8	0	0	0	0	109.8	Y86 R136	S72-Y86 CarbonylContact C-O 3.6Å; S72-Y86 VanDerWaalsContact CA-O 3.27Å; S72-Y86 WeakPolarHBondContact CA-O 3.35Å; S72-R136 PolarHBondContact N-O 3.28Å; S72-R136 PolarHBondContact O-N 2.85Å; S72-R136 WeakPolarHBondContact OG-CB 3.23Å; S72-R136 PolarHBondContact OG-O 3.28Å
73	V	96.9	Very high	84.8	Confident	1 Å²	1	58 Å²	58	1%	0.006	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.8	173.2	178.7	0	0	0	0	108.1	V71 R85 Y86 V106 V111 A116 T134	V71-V73 HydrophobicContact CG1-CG2 4.08Å; V73-R85 WeakPolarHBondContact O-CA 3.41Å; V73-Y86 PolarHBondContact N-O 2.99Å; V73-Y86 PolarHBondContact O-N 2.92Å; V73-V106 HydrophobicContact CG1-CG1 4.43Å; V73-V111 HydrophobicContact CG2-CG1 3.86Å; V73-V111 HydrophobicContact CG2-CG2 4.41Å; V73-A116 HydrophobicContact CB-CB 4.36Å; V73-A116 HydrophobicContact CG1-CB 3.75Å; V73-A116 HydrophobicContact CG2-CB 3.63Å; V73-T134 WeakPolarHBondContact CA-O 3.32Å
74	S	97.9	Very high	86.8	Confident	10 Å²	10	57.7 Å²	57.7	7%	0.07	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	132.4	168	65.4	0	0	0	0	110.8	C133 T134	S74-C133 CarbonylContact O-C 3.58Å; S74-C133 WeakPolarHBondContact O-CA 3.45Å; S74-T134 PolarHBondContact N-O 3.19Å; S74-T134 PolarHBondContact O-N 3.45Å; S74-T134 WeakPolarHBondContact OG-CB 3.48Å
75	W	98.6	Very high	88.8	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	126.7	168.3	-80.2	93.3	0	0	0	108.7	L55 C57 V83 Y84 A116 L118 T132 C133 I146	L55-W75 HydrophobicContact CB-CH2 3.43Å; L55-W75 VanDerWaalsContact CB-CH2 3.43Å; L55-W75 HydrophobicContact CB-CZ2 4.24Å; L55-W75 HydrophobicContact CB-CZ3 3.82Å; L55-W75 HydrophobicContact CD1-CE3 4.47Å; L55-W75 HydrophobicContact CD1-CH2 4.37Å; L55-W75 HydrophobicContact CD1-CZ3 3.87Å; L55-W75 WeakPolarHBondContact O-CZ2 3.46Å; C57-W75 HydrophobicContact CB-CH2 3.97Å; C57-W75 HydrophobicContact CB-CZ2 3.45Å; C57-W75 VanDerWaalsContact CB-CZ2 3.45Å; W75-V83 HydrophobicContact CB-CB 4.02Å; W75-V83 HydrophobicContact CB-CG1 4.4Å; W75-V83 WeakPolarHBondContact O-CA 3.39Å; W75-V83 WeakPolarHBondContact O-CB 3.38Å; W75-V83 PolarHBondContact O-N 2.96Å; W75-Y84 PolarHBondContact N-O 2.76Å; W75-Y84 PolarHBondContact O-N 2.65Å; W75-A116 PolarHBondContact NE1-O 2.97Å; W75-L118 HydrophobicContact CB-CD2 4.38Å; W75-L118 HydrophobicContact CD2-CB 3.91Å; W75-L118 HydrophobicContact CD2-CD2 4.04Å; W75-L118 HydrophobicContact CD2-CG 4.42Å; W75-L118 HydrophobicContact CE3-CB 4.45Å; W75-L118 HydrophobicContact CE3-CD2 4.2Å; W75-L118 HydrophobicContact CG-CB 4.27Å; W75-L118 HydrophobicContact CG-CD1 4.12Å; W75-L118 HydrophobicContact CG-CD2 4.13Å; W75-L118 HydrophobicContact CG-CG 4.43Å; W75-L118 HydrophobicContact CH2-CB 4.26Å; W75-L118 HydrophobicContact CZ2-CB 3.71Å; W75-T132 WeakPolarHBondContact CA-O 3.29Å; W75-C133 HydrophobicContact CD2-CB 3.9Å; W75-C133 HydrophobicContact CE3-CB 3.95Å; W75-C133 HydrophobicContact CH2-CB 3.71Å; W75-C133 HydrophobicContact CZ2-CB 3.63Å; W75-C133 HydrophobicContact CZ3-CB 3.86Å; W75-I146 HydrophobicContact CH2-CD1 3.43Å; W75-I146 VanDerWaalsContact CH2-CD1 3.43Å; W75-I146 HydrophobicContact CZ3-CD1 3.76Å
76	E	98.4	Very high	90.7	Very high	89 Å²	89	53.9 Å²	53.9	42%	0.416	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	145.6	179.8	-63.7	-179.2	176.1	0	0	109.5	G81 Y131 T132	E76-G81 CarbonylContact C-O 3.57Å; E76-G81 WeakPolarHBondContact CA-O 3.08Å; E76-Y131 CarbonylContact O-C 3.4Å; E76-Y131 VanDerWaalsContact O-CA 3.22Å; E76-Y131 WeakPolarHBondContact O-CA 3.33Å; E76-T132 PolarHBondContact N-O 2.8Å; E76-T132 PolarHBondContact O-N 3.21Å
77	K	98.3	Very high	92.2	Very high	4 Å²	4	49 Å²	49	2%	0.017	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	131	170.4	-167.8	-174.3	-176.8	-118.5	0	108.3	D79 L80 G81 V83 F100 S126 D127 E128 E130 Y131	K77-D79 WeakPolarHBondContact CD-OD1 3.31Å; K77-D79 WeakPolarHBondContact CE-OD1 3.11Å; K77-D79 WeakPolarHBondContact CG-OD1 3.33Å; K77-D79 IonicContact NZ-OD1 3.98Å; K77-D79 PolarHBondContact NZ-OD1 2.97Å; K77-D79 IonicContact NZ-OD2 3.83Å; K77-D79 PolarHBondContact NZ-OD2 3.05Å; K77-D79 PolarHBondContact O-N 3.41Å; K77-D79 VanDerWaalsContact O-N 3.12Å; K77-L80 HydrophobicContact CB-CB 4.34Å; K77-L80 HydrophobicContact CD-CB 4.27Å; K77-L80 PolarHBondContact O-N 3.23Å; K77-L80 VanDerWaalsContact O-N 3.12Å; K77-G81 PolarHBondContact N-O 3.07Å; K77-G81 PolarHBondContact O-N 3.24Å; K77-V83 HydrophobicContact CB-CG2 3.69Å; K77-F100 HydrophobicContact CB-CE2 4.5Å; K77-F100 HydrophobicContact CB-CZ 4.47Å; K77-F100 HydrophobicContact CD-CE2 4.5Å; K77-F100 HydrophobicContact CD-CZ 3.9Å; K77-S126 PolarHBondContact NZ-O 3.2Å; K77-S126 VanDerWaalsContact NZ-O 3.14Å; K77-D127 WeakPolarHBondContact CE-O 3.33Å; K77-E128 VanDerWaalsContact CE-O 3.23Å; K77-E128 WeakPolarHBondContact CE-O 3.45Å; K77-E128 PolarHBondContact NZ-O 2.97Å; K77-E130 WeakPolarHBondContact CA-O 3.22Å; K77-E130 WeakPolarHBondContact CG-O 3.4Å; K77-Y131 HydrophobicContact CB-CD1 4.18Å; K77-Y131 HydrophobicContact CB-CE1 4.02Å; K77-Y131 HydrophobicContact CD-CE1 4.17Å; K77-Y131 HydrophobicContact CD-CE2 4.25Å; K77-Y131 HydrophobicContact CG-CD1 4.37Å; K77-Y131 HydrophobicContact CG-CE1 4.06Å; K77-Y131 HydrophobicContact CG-CE2 4.19Å
78	T	97.2	Very high	93.5	Very high	97 Å²	97	45.7 Å²	45.7	60%	0.595	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-34.9	-169.2	-60.3	0	0	0	0	114	E130	T78-E130 PolarHBondContact N-O 3.18Å; T78-E130 PolarHBondContact OG1-O 3.17Å; T78-E130 PolarHBondContact OG1-OE2 3.17Å
79	D	95	Very high	94.5	Very high	114 Å²	114	55.2 Å²	55.2	61%	0.61	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-6.9	-176.6	64	-18.9	0	0	0	114.5	K77	K77-D79 WeakPolarHBondContact CD-OD1 3.31Å; K77-D79 WeakPolarHBondContact CE-OD1 3.11Å; K77-D79 WeakPolarHBondContact CG-OD1 3.33Å; K77-D79 IonicContact NZ-OD1 3.98Å; K77-D79 PolarHBondContact NZ-OD1 2.97Å; K77-D79 IonicContact NZ-OD2 3.83Å; K77-D79 PolarHBondContact NZ-OD2 3.05Å; K77-D79 PolarHBondContact O-N 3.41Å; K77-D79 VanDerWaalsContact O-N 3.12Å
80	L	95.2	Very high	95.4	Very high	84 Å²	84	55.1 Å²	55.1	44%	0.44	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.6	-19.1	-170.2	-165.1	58.8	0	0	0	114.4	K77 A97 A99 F100	K77-L80 HydrophobicContact CB-CB 4.34Å; K77-L80 HydrophobicContact CD-CB 4.27Å; K77-L80 PolarHBondContact O-N 3.23Å; K77-L80 VanDerWaalsContact O-N 3.12Å; L80-A97 HydrophobicContact CD2-CB 4.3Å; L80-A97 HydrophobicContact CG-CB 3.93Å; L80-A99 HydrophobicContact CD2-CB 3.83Å; L80-F100 HydrophobicContact CD2-CD2 4.38Å; L80-F100 HydrophobicContact CD2-CE2 3.55Å; L80-F100 HydrophobicContact CD2-CZ 4.07Å; L80-F100 HydrophobicContact CG-CE2 4.3Å
81	G	95.8	Very high	95.9	Very high	32 Å²	32	52.1 Å²	52.1	33%	0.33	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	90.2	-141.7	179.3	0	0	0	0	0	113.4	E76 K77 V83	E76-G81 CarbonylContact C-O 3.57Å; E76-G81 WeakPolarHBondContact CA-O 3.08Å; K77-G81 PolarHBondContact N-O 3.07Å; K77-G81 PolarHBondContact O-N 3.24Å; G81-V83 PolarHBondContact O-N 3.45Å
82	T	98	Very high	96.2	Very high	37 Å²	37	52.3 Å²	52.3	23%	0.227	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	117.8	-168.1	-53.7	0	0	0	0	113	R85 A97	T82-R85 HydrophobicContact CG2-CG 4.1Å; T82-A97 PolarHBondContact O-N 2.6Å
83	V	98.4	Very high	96.3	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-48	176.3	177.1	0	0	0	0	110.5	W75 K77 G81 Q96 F100 A104 L118 Y131	W75-V83 HydrophobicContact CB-CB 4.02Å; W75-V83 HydrophobicContact CB-CG1 4.4Å; W75-V83 WeakPolarHBondContact O-CA 3.39Å; W75-V83 WeakPolarHBondContact O-CB 3.38Å; W75-V83 PolarHBondContact O-N 2.96Å; K77-V83 HydrophobicContact CB-CG2 3.69Å; G81-V83 PolarHBondContact O-N 3.45Å; V83-Q96 WeakPolarHBondContact O-CG 3.48Å; V83-Q96 PolarHBondContact O-NE2 3.32Å; V83-F100 HydrophobicContact CB-CD2 4.09Å; V83-F100 HydrophobicContact CB-CE2 4.29Å; V83-F100 HydrophobicContact CB-CG 4.31Å; V83-F100 HydrophobicContact CG1-CB 4.3Å; V83-F100 HydrophobicContact CG1-CD1 3.84Å; V83-F100 HydrophobicContact CG1-CD2 4.07Å; V83-F100 HydrophobicContact CG1-CE1 4.18Å; V83-F100 HydrophobicContact CG1-CE2 4.39Å; V83-F100 HydrophobicContact CG1-CG 3.79Å; V83-F100 HydrophobicContact CG1-CZ 4.46Å; V83-F100 HydrophobicContact CG2-CD2 3.9Å; V83-F100 HydrophobicContact CG2-CE1 4.43Å; V83-F100 HydrophobicContact CG2-CE2 3.6Å; V83-F100 HydrophobicContact CG2-CG 4.44Å; V83-F100 HydrophobicContact CG2-CZ 3.92Å; V83-A104 HydrophobicContact CG1-CB 3.96Å; V83-L118 HydrophobicContact CG1-CD2 3.66Å; V83-Y131 HydrophobicContact CG1-CE1 4.3Å; V83-Y131 HydrophobicContact CG2-CD1 3.88Å; V83-Y131 HydrophobicContact CG2-CE1 3.76Å
84	Y	98.4	Very high	96.1	Very high	12 Å²	12	60.6 Å²	60.6	5%	0.047	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	145.5	179.9	-165.3	-90	0	0	0	110.9	W75 P91 L93 A104 Q105 V106 L118	W75-Y84 PolarHBondContact N-O 2.76Å; W75-Y84 PolarHBondContact O-N 2.65Å; Y84-P91 WeakPolarHBondContact OH-CB 3.49Å; Y84-P91 WeakPolarHBondContact OH-CG 3.17Å; Y84-L93 HydrophobicContact CD2-CD2 3.75Å; Y84-L93 HydrophobicContact CE2-CD2 3.62Å; Y84-L93 HydrophobicContact CG-CD2 4.38Å; Y84-A104 HydrophobicContact CD2-CB 4.19Å; Y84-A104 WeakPolarHBondContact CD2-O 3.41Å; Y84-A104 WeakPolarHBondContact CE2-O 3.16Å; Y84-Q105 HydrophobicContact CE2-CB 4.24Å; Y84-V106 HydrophobicContact CD1-CB 4.49Å; Y84-V106 HydrophobicContact CD1-CG1 3.74Å; Y84-V106 HydrophobicContact CD1-CG2 4.25Å; Y84-V106 HydrophobicContact CE1-CB 4.17Å; Y84-V106 HydrophobicContact CE1-CG1 3.91Å; Y84-V106 HydrophobicContact CE1-CG2 3.54Å; Y84-L118 HydrophobicContact CG-CD1 4.15Å
85	R	97.8	Very high	95.9	Very high	55 Å²	55	63.5 Å²	63.5	21%	0.208	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	141.6	175.1	-94.2	176.8	53.8	-127.9	-3.2	110.6	V73 T82 E87 A92 D94	V73-R85 WeakPolarHBondContact O-CA 3.41Å; T82-R85 HydrophobicContact CG2-CG 4.1Å; R85-E87 IonicContact CZ-OE1 3.41Å; R85-E87 IonicContact CZ-OE2 3.47Å; R85-E87 IonicContact NE-OE1 3.32Å; R85-E87 PolarHBondContact NE-OE1 3.38Å; R85-E87 IonicContact NE-OE2 2.6Å; R85-E87 IonicContact NH2-OE1 2.65Å; R85-E87 PolarHBondContact NH2-OE1 2.88Å; R85-E87 IonicContact NH2-OE2 3.18Å; R85-E87 PolarHBondContact NH2-OE2 2.91Å; R85-A92 HydrophobicContact CB-CB 4.31Å; R85-A92 WeakPolarHBondContact CB-O 3.11Å; R85-A92 PolarHBondContact NH1-O 2.79Å; R85-A92 PolarHBondContact O-N 2.92Å; R85-D94 PolarHBondContact NH1-O 3.44Å
86	Y	97.1	Very high	95.9	Very high	15 Å²	15	64.1 Å²	64.1	6%	0.059	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	119.1	176.2	-179.2	-92.1	0	0	0	109.1	S72 V73 R89 A90 V106 P108 V111	S72-Y86 CarbonylContact C-O 3.6Å; S72-Y86 VanDerWaalsContact CA-O 3.27Å; S72-Y86 WeakPolarHBondContact CA-O 3.35Å; V73-Y86 PolarHBondContact N-O 2.99Å; V73-Y86 PolarHBondContact O-N 2.92Å; Y86-R89 WeakPolarHBondContact OH-CA 3.42Å; Y86-R89 PolarHBondContact OH-O 2.85Å; Y86-A90 WeakPolarHBondContact CA-O 3.02Å; Y86-A90 WeakPolarHBondContact CD2-O 3.41Å; Y86-V106 HydrophobicContact CD2-CG2 3.99Å; Y86-V106 HydrophobicContact CG-CG2 4.12Å; Y86-P108 HydrophobicContact CE2-CB 4.05Å; Y86-P108 HydrophobicContact CE2-CG 4.15Å; Y86-V111 HydrophobicContact CD1-CG1 3.79Å; Y86-V111 HydrophobicContact CE1-CB 4.19Å; Y86-V111 HydrophobicContact CE1-CG1 3.62Å
87	E	94.6	Very high	95.9	Very high	64 Å²	64	60.7 Å²	60.7	30%	0.299	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	154.2	-175.6	-75.5	162.4	-152.2	0	0	108.2	R85 R89 A90 A92	R85-E87 IonicContact CZ-OE1 3.41Å; R85-E87 IonicContact CZ-OE2 3.47Å; R85-E87 IonicContact NE-OE1 3.32Å; R85-E87 PolarHBondContact NE-OE1 3.38Å; R85-E87 IonicContact NE-OE2 2.6Å; R85-E87 IonicContact NH2-OE1 2.65Å; R85-E87 PolarHBondContact NH2-OE1 2.88Å; R85-E87 IonicContact NH2-OE2 3.18Å; R85-E87 PolarHBondContact NH2-OE2 2.91Å; E87-R89 PolarHBondContact O-N 2.88Å; E87-A90 PolarHBondContact N-O 2.92Å; E87-A90 PolarHBondContact O-N 2.87Å; E87-A92 HydrophobicContact CB-CB 4.16Å
88	N	91.3	Very high	95.8	Very high	121 Å²	121	65.4 Å²	65.4	65%	0.647	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	33.5	177.9	-59	-37.3	0	0	0	114.4	E70 A90	E70-N88 PolarHBondContact OE1-OD1 2.83Å; N88-A90 PolarHBondContact O-N 3.37Å
89	R	90.7	Very high	95.8	Very high	202 Å²	202	62.1 Å²	62.1	76%	0.762	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	22.2	-176.7	-51.9	-178.9	179	174	1.7	115.1	Y86 E87	Y86-R89 WeakPolarHBondContact OH-CA 3.42Å; Y86-R89 PolarHBondContact OH-O 2.85Å; E87-R89 PolarHBondContact O-N 2.88Å
90	A	94.2	Very high	96	Very high	45 Å²	45	56.7 Å²	56.7	37%	0.372	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	160.9	179.3	0	0	0	0	0	111.9	Y86 E87 N88 A92	Y86-A90 WeakPolarHBondContact CA-O 3.02Å; Y86-A90 WeakPolarHBondContact CD2-O 3.41Å; E87-A90 PolarHBondContact N-O 2.92Å; E87-A90 PolarHBondContact O-N 2.87Å; N88-A90 PolarHBondContact O-N 3.37Å; A90-A92 PolarHBondContact O-N 2.83Å
91	P	95.9	Very high	96.1	Very high	71 Å²	71	59 Å²	59	46%	0.461	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	130	167.8	-19.1	32.1	0	0	0	110.8	Y84 L93	Y84-P91 WeakPolarHBondContact OH-CB 3.49Å; Y84-P91 WeakPolarHBondContact OH-CG 3.17Å; P91-L93 HydrophobicContact CB-CD1 4.09Å; P91-L93 HydrophobicContact CB-CD2 4.02Å; P91-L93 HydrophobicContact CB-CG 3.81Å
92	A	96.5	Very high	96.1	Very high	17 Å²	17	61 Å²	61	14%	0.14	36%	0.359	C	S	.	.			trans	-114.5	75.7	176.1	0	0	0	0	0	109.3	R85 E87 A90 D94	R85-A92 HydrophobicContact CB-CB 4.31Å; R85-A92 WeakPolarHBondContact CB-O 3.11Å; R85-A92 PolarHBondContact NH1-O 2.79Å; R85-A92 PolarHBondContact O-N 2.92Å; E87-A92 HydrophobicContact CB-CB 4.16Å; A90-A92 PolarHBondContact O-N 2.83Å; A92-D94 VanDerWaalsContact C-N 3.32Å; A92-D94 PolarHBondContact O-N 2.95Å
93	L	96.1	Very high	96.1	Very high	71 Å²	71	60.3 Å²	60.3	37%	0.372	35%	0.352	S	S	.	.			trans	-89.7	11	-163.8	-54.7	-178.6	0	0	0	114.7	Y84 P91 G95 Q96	Y84-L93 HydrophobicContact CD2-CD2 3.75Å; Y84-L93 HydrophobicContact CE2-CD2 3.62Å; Y84-L93 HydrophobicContact CG-CD2 4.38Å; P91-L93 HydrophobicContact CB-CD1 4.09Å; P91-L93 HydrophobicContact CB-CD2 4.02Å; P91-L93 HydrophobicContact CB-CG 3.81Å; L93-G95 PolarHBondContact O-N 2.82Å; L93-Q96 HydrophobicContact CB-CB 4.4Å; L93-Q96 VanDerWaalsContact O-CB 3.25Å; L93-Q96 WeakPolarHBondContact O-CB 3.35Å; L93-Q96 PolarHBondContact O-N 2.85Å; L93-Q96 VanDerWaalsContact O-N 3.09Å
94	D	93.8	Very high	96.1	Very high	133 Å²	133	60.6 Å²	60.6	71%	0.711	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	128.8	172.5	-61.1	-49.2	0	0	0	110.2	R85 A92 Q96	R85-D94 PolarHBondContact NH1-O 3.44Å; A92-D94 VanDerWaalsContact C-N 3.32Å; A92-D94 PolarHBondContact O-N 2.95Å; D94-Q96 VanDerWaalsContact C-N 3.27Å; D94-Q96 PolarHBondContact O-N 2.89Å
95	G	93.5	Very high	96.1	Very high	70 Å²	70	63 Å²	63	72%	0.722	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	5.8	-176.4	0	0	0	0	0	115.2	L93 A97	L93-G95 PolarHBondContact O-N 2.82Å; G95-A97 PolarHBondContact O-N 2.58Å
96	Q	97.8	Very high	96.1	Very high	14 Å²	14	60.5 Å²	60.5	7%	0.065	36%	0.357	C	S	.	.			trans	-58.6	127.1	174.5	-173.2	-176.4	35.3	0	0	110.6	V83 L93 D94 S98 F100 K101	V83-Q96 WeakPolarHBondContact O-CG 3.48Å; V83-Q96 PolarHBondContact O-NE2 3.32Å; L93-Q96 HydrophobicContact CB-CB 4.4Å; L93-Q96 VanDerWaalsContact O-CB 3.25Å; L93-Q96 WeakPolarHBondContact O-CB 3.35Å; L93-Q96 PolarHBondContact O-N 2.85Å; L93-Q96 VanDerWaalsContact O-N 3.09Å; D94-Q96 VanDerWaalsContact C-N 3.27Å; D94-Q96 PolarHBondContact O-N 2.89Å; Q96-S98 PolarHBondContact O-N 2.88Å; Q96-F100 HydrophobicContact CG-CB 4.44Å; Q96-F100 PolarHBondContact NE2-O 3.43Å; Q96-K101 HydrophobicContact CG-CG 4.39Å; Q96-K101 WeakPolarHBondContact O-CE 3.33Å
97	A	97.8	Very high	96	Very high	17 Å²	17	63.3 Å²	63.3	14%	0.14	37%	0.369	C	S	.	.			trans	-59.9	137.4	177.7	0	0	0	0	0	110.7	L80 T82 G95 A99 F100	L80-A97 HydrophobicContact CD2-CB 4.3Å; L80-A97 HydrophobicContact CG-CB 3.93Å; T82-A97 PolarHBondContact O-N 2.6Å; G95-A97 PolarHBondContact O-N 2.58Å; A97-A99 PolarHBondContact O-N 3.39Å; A97-A99 VanDerWaalsContact O-N 3.09Å; A97-F100 HydrophobicContact CB-CD2 4.04Å; A97-F100 HydrophobicContact CB-CE2 4.45Å; A97-F100 PolarHBondContact O-N 3.31Å
98	S	97.1	Very high	95.8	Very high	103 Å²	103	63.2 Å²	63.2	72%	0.72	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-57.1	-31.2	-171.6	55.7	0	0	0	0	113.6	Q96 F100 K101	Q96-S98 PolarHBondContact O-N 2.88Å; S98-F100 PolarHBondContact O-N 3.3Å; S98-K101 PolarHBondContact O-N 2.94Å
99	A	97.4	Very high	95.8	Very high	27 Å²	27	64.5 Å²	64.5	22%	0.223	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-63.2	-21.4	179.5	0	0	0	0	0	114.3	L80 A97 R103	L80-A99 HydrophobicContact CD2-CB 3.83Å; A97-A99 PolarHBondContact O-N 3.39Å; A97-A99 VanDerWaalsContact O-N 3.09Å; A99-R103 PolarHBondContact O-NH1 3.18Å
100	F	98.2	Very high	95.8	Very high	1 Å²	1	55.9 Å²	55.9	0%	0.004	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-107.9	-9	-175.6	-59.6	-65.5	0	0	0	114.5	K77 L80 V83 Q96 A97 S98 G102 R103 A104 L120 Y131	K77-F100 HydrophobicContact CB-CE2 4.5Å; K77-F100 HydrophobicContact CB-CZ 4.47Å; K77-F100 HydrophobicContact CD-CE2 4.5Å; K77-F100 HydrophobicContact CD-CZ 3.9Å; L80-F100 HydrophobicContact CD2-CD2 4.38Å; L80-F100 HydrophobicContact CD2-CE2 3.55Å; L80-F100 HydrophobicContact CD2-CZ 4.07Å; L80-F100 HydrophobicContact CG-CE2 4.3Å; V83-F100 HydrophobicContact CB-CD2 4.09Å; V83-F100 HydrophobicContact CB-CE2 4.29Å; V83-F100 HydrophobicContact CB-CG 4.31Å; V83-F100 HydrophobicContact CG1-CB 4.3Å; V83-F100 HydrophobicContact CG1-CD1 3.84Å; V83-F100 HydrophobicContact CG1-CD2 4.07Å; V83-F100 HydrophobicContact CG1-CE1 4.18Å; V83-F100 HydrophobicContact CG1-CE2 4.39Å; V83-F100 HydrophobicContact CG1-CG 3.79Å; V83-F100 HydrophobicContact CG1-CZ 4.46Å; V83-F100 HydrophobicContact CG2-CD2 3.9Å; V83-F100 HydrophobicContact CG2-CE1 4.43Å; V83-F100 HydrophobicContact CG2-CE2 3.6Å; V83-F100 HydrophobicContact CG2-CG 4.44Å; V83-F100 HydrophobicContact CG2-CZ 3.92Å; Q96-F100 HydrophobicContact CG-CB 4.44Å; Q96-F100 PolarHBondContact NE2-O 3.43Å; A97-F100 HydrophobicContact CB-CD2 4.04Å; A97-F100 HydrophobicContact CB-CE2 4.45Å; A97-F100 PolarHBondContact O-N 3.31Å; S98-F100 PolarHBondContact O-N 3.3Å; F100-G102 PolarHBondContact O-N 3.28Å; F100-R103 PolarHBondContact O-N 2.92Å; F100-A104 HydrophobicContact CB-CB 3.99Å; F100-A104 PolarHBondContact O-N 3.09Å; F100-L120 HydrophobicContact CD1-CD1 3.8Å; F100-L120 HydrophobicContact CE1-CD1 4.13Å; F100-Y131 HydrophobicContact CE1-CE1 4.19Å; F100-Y131 HydrophobicContact CZ-CE1 4.14Å
101	K	97.2	Very high	95.7	Very high	131 Å²	131	53.8 Å²	53.8	57%	0.57	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	125.2	179	-71	-174.4	177.1	-175.3	0	110.6	Q96 S98 R103	Q96-K101 HydrophobicContact CG-CG 4.39Å; Q96-K101 WeakPolarHBondContact O-CE 3.33Å; S98-K101 PolarHBondContact O-N 2.94Å; K101-R103 PolarHBondContact O-N 2.93Å
102	G	96.9	Very high	95.2	Very high	76 Å²	76	52.1 Å²	52.1	78%	0.784	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	-0.2	-178	0	0	0	0	0	115.6	F100	F100-G102 PolarHBondContact O-N 3.28Å
103	R	98.1	Very high	94.7	Very high	21 Å²	21	56.4 Å²	56.4	8%	0.079	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-29.2	-178.7	-64.1	176.5	60.6	-141.3	-4	113.2	A99 F100 K101 L120 R121 S122 D127	A99-R103 PolarHBondContact O-NH1 3.18Å; F100-R103 PolarHBondContact O-N 2.92Å; K101-R103 PolarHBondContact O-N 2.93Å; R103-L120 HydrophobicContact CB-CD1 4.38Å; R103-L120 WeakPolarHBondContact O-CA 3.44Å; R103-R121 HydrophobicContact CB-CB 4.43Å; R103-R121 PolarHBondContact NE-O 2.71Å; R103-R121 PolarHBondContact NH2-O 3.16Å; R103-R121 WeakPolarHBondContact O-CG 3.44Å; R103-R121 PolarHBondContact O-N 3.46Å; R103-S122 PolarHBondContact NH2-O 2.92Å; R103-D127 IonicContact CZ-OD1 3.87Å; R103-D127 IonicContact CZ-OD2 2.79Å; R103-D127 IonicContact NH1-OD1 3.39Å; R103-D127 PolarHBondContact NH1-OD1 3.14Å; R103-D127 IonicContact NH1-OD2 2.77Å; R103-D127 PolarHBondContact NH1-OD2 3.41Å; R103-D127 IonicContact NH2-OD1 2.8Å; R103-D127 IonicContact NH2-OD2 3.5Å; R103-D127 PolarHBondContact NH2-OD2 3.23Å
104	A	98.3	Very high	94.3	Very high	7 Å²	7	53.2 Å²	53.2	6%	0.058	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	132.4	-179.2	0	0	0	0	0	110.8	V83 Y84 F100 L118 L119	V83-A104 HydrophobicContact CG1-CB 3.96Å; Y84-A104 HydrophobicContact CD2-CB 4.19Å; Y84-A104 WeakPolarHBondContact CD2-O 3.41Å; Y84-A104 WeakPolarHBondContact CE2-O 3.16Å; F100-A104 HydrophobicContact CB-CB 3.99Å; F100-A104 PolarHBondContact O-N 3.09Å; A104-L118 HydrophobicContact CB-CD1 4.18Å; A104-L119 WeakPolarHBondContact CA-O 3.5Å
105	Q	97.8	Very high	94.3	Very high	61 Å²	61	49.7 Å²	49.7	29%	0.285	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	149.5	172.5	63	177.6	67.8	0	0	112.1	Y84 L119	Y84-Q105 HydrophobicContact CE2-CB 4.24Å; Q105-L119 HydrophobicContact CG-CB 3.93Å; Q105-L119 HydrophobicContact CG-CD2 4.05Å; Q105-L119 HydrophobicContact CG-CG 4.39Å; Q105-L119 PolarHBondContact N-O 2.97Å; Q105-L119 PolarHBondContact O-N 3.04Å
106	V	97.4	Very high	94.4	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.018	28%	0.279	C	S	.	.			trans	-98.3	173.9	163.4	-56.7	0	0	0	0	109.8	V73 Y84 Y86 P108 V111 L118	V73-V106 HydrophobicContact CG1-CG1 4.43Å; Y84-V106 HydrophobicContact CD1-CB 4.49Å; Y84-V106 HydrophobicContact CD1-CG1 3.74Å; Y84-V106 HydrophobicContact CD1-CG2 4.25Å; Y84-V106 HydrophobicContact CE1-CB 4.17Å; Y84-V106 HydrophobicContact CE1-CG1 3.91Å; Y84-V106 HydrophobicContact CE1-CG2 3.54Å; Y86-V106 HydrophobicContact CD2-CG2 3.99Å; Y86-V106 HydrophobicContact CG-CG2 4.12Å; V106-P108 WeakPolarHBondContact O-CD 3.28Å; V106-V111 HydrophobicContact CB-CG2 4.09Å; V106-V111 HydrophobicContact CG2-CG2 3.84Å; V106-L118 HydrophobicContact CG1-CD1 4.23Å
107	F	95.3	Very high	94.4	Very high	74 Å²	74	46.2 Å²	46.2	33%	0.325	28%	0.279	S	S	.	.			trans	-105.3	102	178.9	-54.6	-87.3	0	0	0	109.6	D109 A110 V111 L119	F107-D109 VanDerWaalsContact C-N 3.3Å; F107-D109 PolarHBondContact O-N 3.38Å; F107-A110 HydrophobicContact CB-CB 3.78Å; F107-A110 WeakPolarHBondContact O-CA 3.33Å; F107-A110 WeakPolarHBondContact O-CB 3.42Å; F107-A110 PolarHBondContact O-N 3.18Å; F107-V111 WeakPolarHBondContact O-CG2 3.42Å; F107-V111 PolarHBondContact O-N 3.09Å; F107-L119 HydrophobicContact CE2-CB 4.25Å; F107-L119 HydrophobicContact CZ-CB 3.87Å; F107-L119 HydrophobicContact CZ-CD2 4.43Å
108	P	91.6	Very high	94.5	Very high	63 Å²	63	45.4 Å²	45.4	41%	0.409	27%	0.272	S	S	.	.	H	α-helix	trans	-52.8	-42.5	-171.2	-30	36.9	0	0	0	114.5	Y86 V106 A110 V111 A112	Y86-P108 HydrophobicContact CE2-CB 4.05Å; Y86-P108 HydrophobicContact CE2-CG 4.15Å; V106-P108 WeakPolarHBondContact O-CD 3.28Å; P108-A110 VanDerWaalsContact C-N 3.31Å; P108-A110 PolarHBondContact O-N 3.26Å; P108-V111 PolarHBondContact O-N 3.14Å; P108-A112 PolarHBondContact O-N 3.2Å
109	D	89.9	Confident	94.6	Very high	148 Å²	148	41.6 Å²	41.6	79%	0.791	24%	0.244	S	C	*	.	H	α-helix	trans	-65.4	-35.2	178.5	-62.5	-31.3	0	0	0	112.3	F107	F107-D109 VanDerWaalsContact C-N 3.3Å; F107-D109 PolarHBondContact O-N 3.38Å
110	A	91.8	Very high	94.6	Very high	21 Å²	21	40.3 Å²	40.3	17%	0.174	23%	0.233	C	C	.	.	H	α-helix	trans	-76.1	-33.3	178.2	0	0	0	0	0	111.6	F107 P108 A112 I113 G114 N115	F107-A110 HydrophobicContact CB-CB 3.78Å; F107-A110 WeakPolarHBondContact O-CA 3.33Å; F107-A110 WeakPolarHBondContact O-CB 3.42Å; F107-A110 PolarHBondContact O-N 3.18Å; P108-A110 VanDerWaalsContact C-N 3.31Å; P108-A110 PolarHBondContact O-N 3.26Å; A110-A112 VanDerWaalsContact C-N 3.27Å; A110-A112 PolarHBondContact O-N 2.65Å; A110-I113 CarbonylContact O-C 3.54Å; A110-I113 WeakPolarHBondContact O-CG1 3.45Å; A110-I113 PolarHBondContact O-N 3.46Å; A110-G114 PolarHBondContact O-N 2.76Å; A110-N115 CarbonylContact C-O 3.58Å; A110-N115 HydrophobicContact CB-CB 3.98Å; A110-N115 PolarHBondContact O-N 3.42Å
111	V	91.8	Very high	94.6	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-61.7	-38	176.6	172.9	0	0	0	0	110.8	V71 V73 Y86 V106 F107 P108 I113 G114 N115	V71-V111 HydrophobicContact CB-CG1 4.09Å; V71-V111 HydrophobicContact CG1-CG1 3.84Å; V73-V111 HydrophobicContact CG2-CG1 3.86Å; V73-V111 HydrophobicContact CG2-CG2 4.41Å; Y86-V111 HydrophobicContact CD1-CG1 3.79Å; Y86-V111 HydrophobicContact CE1-CB 4.19Å; Y86-V111 HydrophobicContact CE1-CG1 3.62Å; V106-V111 HydrophobicContact CB-CG2 4.09Å; V106-V111 HydrophobicContact CG2-CG2 3.84Å; F107-V111 WeakPolarHBondContact O-CG2 3.42Å; F107-V111 PolarHBondContact O-N 3.09Å; P108-V111 PolarHBondContact O-N 3.14Å; V111-I113 PolarHBondContact O-N 2.8Å; V111-I113 VanDerWaalsContact O-N 3.16Å; V111-G114 PolarHBondContact O-N 3.19Å; V111-N115 VanDerWaalsContact CA-O 3.28Å; V111-N115 WeakPolarHBondContact CA-O 3.43Å; V111-N115 PolarHBondContact N-O 2.94Å; V111-N115 VanDerWaalsContact N-O 3.1Å
112	A	85.1	Confident	94.7	Very high	36 Å²	36	41.9 Å²	41.9	30%	0.298	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-26.3	179	0	0	0	0	0	113.7	P108 A110	P108-A112 PolarHBondContact O-N 3.2Å; A110-A112 VanDerWaalsContact C-N 3.27Å; A110-A112 PolarHBondContact O-N 2.65Å
113	I	85.9	Confident	94.8	Very high	106 Å²	106	38.4 Å²	38.4	54%	0.544	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	10.3	177.5	63	170.8	0	0	0	112.8	A110 V111	A110-I113 CarbonylContact O-C 3.54Å; A110-I113 WeakPolarHBondContact O-CG1 3.45Å; A110-I113 PolarHBondContact O-N 3.46Å; V111-I113 PolarHBondContact O-N 2.8Å; V111-I113 VanDerWaalsContact O-N 3.16Å
114	G	88.8	Confident	94.7	Very high	4 Å²	4	43.7 Å²	43.7	4%	0.041	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.2	13.9	171.4	0	0	0	0	0	116.8	Y58 V59 A110 V111	Y58-G114 CarbonylContact C-O 3.51Å; Y58-G114 WeakPolarHBondContact CA-O 3.38Å; Y58-G114 WeakPolarHBondContact CB-O 3.47Å; V59-G114 PolarHBondContact N-O 2.81Å; A110-G114 PolarHBondContact O-N 2.76Å; V111-G114 PolarHBondContact O-N 3.19Å
115	N	93.1	Very high	94.6	Very high	60 Å²	60	47.4 Å²	47.4	32%	0.321	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-100.8	106.8	168.1	-175.9	-10.9	0	0	0	110.3	A110 V111 S117	A110-N115 CarbonylContact C-O 3.58Å; A110-N115 HydrophobicContact CB-CB 3.98Å; A110-N115 PolarHBondContact O-N 3.42Å; V111-N115 VanDerWaalsContact CA-O 3.28Å; V111-N115 WeakPolarHBondContact CA-O 3.43Å; V111-N115 PolarHBondContact N-O 2.94Å; V111-N115 VanDerWaalsContact N-O 3.1Å; N115-S117 WeakPolarHBondContact OD1-CB 3.17Å; N115-S117 PolarHBondContact OD1-N 3.06Å; N115-S117 PolarHBondContact OD1-OG 2.99Å
116	A	95.8	Very high	94.6	Very high	1 Å²	1	48 Å²	48	1%	0.008	27%	0.265	C	S	.	.			trans	-104.5	22.9	-178.7	0	0	0	0	0	112.6	C57 V73 W75 I135	C57-A116 CarbonylContact O-C 3.57Å; C57-A116 WeakPolarHBondContact O-CA 3.32Å; C57-A116 PolarHBondContact O-N 2.9Å; V73-A116 HydrophobicContact CB-CB 4.36Å; V73-A116 HydrophobicContact CG1-CB 3.75Å; V73-A116 HydrophobicContact CG2-CB 3.63Å; W75-A116 PolarHBondContact NE1-O 2.97Å; A116-I135 HydrophobicContact CB-CD1 3.56Å; A116-I135 HydrophobicContact CB-CG1 3.76Å
117	S	98	Very high	94.6	Very high	9 Å²	9	47.9 Å²	47.9	6%	0.063	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-59.2	139.7	-177.8	-58.5	0	0	0	0	111.5	L55 S56 C57 N115	L55-S117 VanDerWaalsContact O-CA 3.28Å; L55-S117 WeakPolarHBondContact O-CA 3.25Å; L55-S117 WeakPolarHBondContact O-CB 3.15Å; S56-S117 WeakPolarHBondContact CA-OG 3.43Å; C57-S117 PolarHBondContact N-OG 3.4Å; C57-S117 VanDerWaalsContact N-OG 3.14Å; C57-S117 PolarHBondContact O-N 3.48Å; N115-S117 WeakPolarHBondContact OD1-CB 3.17Å; N115-S117 PolarHBondContact OD1-N 3.06Å; N115-S117 PolarHBondContact OD1-OG 2.99Å
118	L	98.7	Very high	94.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	127.2	-178.8	-172.5	74.9	0	0	0	110	I54 L55 W75 V83 Y84 A104 V106	I54-L118 CarbonylContact C-O 3.57Å; I54-L118 VanDerWaalsContact CA-O 3.28Å; I54-L118 WeakPolarHBondContact CA-O 3.41Å; L55-L118 HydrophobicContact CB-CB 4.34Å; L55-L118 HydrophobicContact CD1-CD2 4.26Å; L55-L118 PolarHBondContact N-O 2.93Å; L55-L118 PolarHBondContact O-N 3.33Å; W75-L118 HydrophobicContact CB-CD2 4.38Å; W75-L118 HydrophobicContact CD2-CB 3.91Å; W75-L118 HydrophobicContact CD2-CD2 4.04Å; W75-L118 HydrophobicContact CD2-CG 4.42Å; W75-L118 HydrophobicContact CE3-CB 4.45Å; W75-L118 HydrophobicContact CE3-CD2 4.2Å; W75-L118 HydrophobicContact CG-CB 4.27Å; W75-L118 HydrophobicContact CG-CD1 4.12Å; W75-L118 HydrophobicContact CG-CD2 4.13Å; W75-L118 HydrophobicContact CG-CG 4.43Å; W75-L118 HydrophobicContact CH2-CB 4.26Å; W75-L118 HydrophobicContact CZ2-CB 3.71Å; V83-L118 HydrophobicContact CG1-CD2 3.66Å; Y84-L118 HydrophobicContact CG-CD1 4.15Å; A104-L118 HydrophobicContact CB-CD1 4.18Å; V106-L118 HydrophobicContact CG1-CD1 4.23Å
119	L	98.8	Very high	95	Very high	24 Å²	24	46.1 Å²	46.1	13%	0.126	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	120.7	160.9	176.9	65.3	0	0	0	108.8	D52 I54 A104 Q105 F107 R121	D52-L119 HydrophobicContact CB-CD1 4.03Å; I54-L119 HydrophobicContact CG1-CD1 4.15Å; A104-L119 WeakPolarHBondContact CA-O 3.5Å; Q105-L119 HydrophobicContact CG-CB 3.93Å; Q105-L119 HydrophobicContact CG-CD2 4.05Å; Q105-L119 HydrophobicContact CG-CG 4.39Å; Q105-L119 PolarHBondContact N-O 2.97Å; Q105-L119 PolarHBondContact O-N 3.04Å; F107-L119 HydrophobicContact CE2-CB 4.25Å; F107-L119 HydrophobicContact CZ-CB 3.87Å; F107-L119 HydrophobicContact CZ-CD2 4.43Å; L119-R121 HydrophobicContact CD2-CG 4.31Å; L119-R121 HydrophobicContact CG-CG 4.23Å
120	L	98.8	Very high	95.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	115.3	170.9	178.3	62.5	0	0	0	109.1	D52 Q53 F100 R103 V123 D127 L148	D52-L120 WeakPolarHBondContact CA-O 3.5Å; Q53-L120 PolarHBondContact N-O 3.35Å; Q53-L120 PolarHBondContact O-N 2.91Å; F100-L120 HydrophobicContact CD1-CD1 3.8Å; F100-L120 HydrophobicContact CE1-CD1 4.13Å; R103-L120 HydrophobicContact CB-CD1 4.38Å; R103-L120 WeakPolarHBondContact O-CA 3.44Å; L120-V123 HydrophobicContact CD2-CG2 4.15Å; L120-V123 HydrophobicContact CG-CG2 4.21Å; L120-D127 HydrophobicContact CD2-CB 3.99Å; L120-L148 HydrophobicContact CD2-CD2 4.04Å
121	R	98.7	Very high	95.8	Very high	102 Å²	102	41.9 Å²	41.9	39%	0.385	23%	0.227	S	C	.	.			trans	-86.4	143.6	-175.7	-61	-175.2	-172.5	-140.5	6.7	113.5	D52 R103 L119	D52-R121 WeakPolarHBondContact OD1-CA 3.2Å; D52-R121 WeakPolarHBondContact OD1-CB 3.48Å; R103-R121 HydrophobicContact CB-CB 4.43Å; R103-R121 PolarHBondContact NE-O 2.71Å; R103-R121 PolarHBondContact NH2-O 3.16Å; R103-R121 WeakPolarHBondContact O-CG 3.44Å; R103-R121 PolarHBondContact O-N 3.46Å; L119-R121 HydrophobicContact CD2-CG 4.31Å; L119-R121 HydrophobicContact CG-CG 4.23Å
122	S	98.2	Very high	96.1	Very high	63 Å²	63	43.3 Å²	43.3	44%	0.441	24%	0.236	S	C	.	.	S	Bend	trans	47.3	65	174.1	-49.1	0	0	0	0	112.5	G50 E51 D52 R103	G50-S122 WeakPolarHBondContact O-CA 3.24Å; E51-S122 WeakPolarHBondContact O-CA 3.4Å; E51-S122 PolarHBondContact O-N 3.11Å; D52-S122 PolarHBondContact OD1-N 2.72Å; R103-S122 PolarHBondContact NH2-O 2.92Å
123	V	98.4	Very high	96.7	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.018	22%	0.221	C	C	.	.			trans	-56.2	137.1	-172.5	175.2	0	0	0	0	111.5	A47 L49 G50 E51 Q53 L120 D127 T150	A47-V123 HydrophobicContact CB-CB 4.18Å; A47-V123 HydrophobicContact CB-CG1 3.83Å; A47-V123 HydrophobicContact CB-CG2 4Å; L49-V123 HydrophobicContact CD2-CG1 4.23Å; G50-V123 PolarHBondContact N-O 3.1Å; E51-V123 WeakPolarHBondContact O-CG2 3.38Å; E51-V123 PolarHBondContact O-N 3.37Å; Q53-V123 HydrophobicContact CB-CG2 3.69Å; L120-V123 HydrophobicContact CD2-CG2 4.15Å; L120-V123 HydrophobicContact CG-CG2 4.21Å; V123-D127 HydrophobicContact CG1-CB 4.32Å; V123-T150 HydrophobicContact CG1-CG2 3.96Å
124	R	97.3	Very high	97.2	Very high	132 Å²	132	37 Å²	37	50%	0.498	20%	0.198	S	C	.	.			trans	-113.7	158.6	179.5	-57.6	174.2	-175	178.7	-0.9	109.4	S126 D127	R124-S126 PolarHBondContact O-N 2.99Å; R124-D127 PolarHBondContact N-OD2 3.07Å; R124-D127 WeakPolarHBondContact O-CB 3.34Å; R124-D127 PolarHBondContact O-N 3.16Å
125	S	95.7	Very high	97.5	Very high	85 Å²	85	36.8 Å²	36.8	59%	0.594	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-57.7	-34.4	174.6	52.9	0	0	0	0	112.6	D127 E128	S125-D127 PolarHBondContact O-N 2.78Å; S125-E128 WeakPolarHBondContact O-CB 3.47Å; S125-E128 PolarHBondContact O-N 3.03Å
126	S	97.1	Very high	97.4	Very high	72 Å²	72	39.6 Å²	39.6	50%	0.503	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-67	-16.7	176	60.2	0	0	0	0	114.6	K77 R124 E128	K77-S126 PolarHBondContact NZ-O 3.2Å; K77-S126 VanDerWaalsContact NZ-O 3.14Å; R124-S126 PolarHBondContact O-N 2.99Å; S126-E128 VanDerWaalsContact C-N 3.29Å
127	D	98.1	Very high	97	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-80.8	-14.7	177.6	-56.2	-33.4	0	0	0	111.5	K77 R103 L120 V123 R124 S125 G129 Y131 L148	K77-D127 WeakPolarHBondContact CE-O 3.33Å; R103-D127 IonicContact CZ-OD1 3.87Å; R103-D127 IonicContact CZ-OD2 2.79Å; R103-D127 IonicContact NH1-OD1 3.39Å; R103-D127 PolarHBondContact NH1-OD1 3.14Å; R103-D127 IonicContact NH1-OD2 2.77Å; R103-D127 PolarHBondContact NH1-OD2 3.41Å; R103-D127 IonicContact NH2-OD1 2.8Å; R103-D127 IonicContact NH2-OD2 3.5Å; R103-D127 PolarHBondContact NH2-OD2 3.23Å; L120-D127 HydrophobicContact CD2-CB 3.99Å; V123-D127 HydrophobicContact CG1-CB 4.32Å; R124-D127 PolarHBondContact N-OD2 3.07Å; R124-D127 WeakPolarHBondContact O-CB 3.34Å; R124-D127 PolarHBondContact O-N 3.16Å; S125-D127 PolarHBondContact O-N 2.78Å; D127-G129 PolarHBondContact O-N 2.63Å; D127-Y131 WeakPolarHBondContact O-CE2 3.28Å; D127-Y131 PolarHBondContact O-OH 3.12Å; D127-L148 HydrophobicContact CB-CD2 4.34Å
128	E	98	Very high	96.3	Very high	87 Å²	87	45.3 Å²	45.3	41%	0.407	24%	0.242	S	C	.	.			trans	-54.4	138.1	172	-173.4	163.2	110.3	0	0	110.7	K77 S125 S126 L148 T150	K77-E128 VanDerWaalsContact CE-O 3.23Å; K77-E128 WeakPolarHBondContact CE-O 3.45Å; K77-E128 PolarHBondContact NZ-O 2.97Å; S125-E128 WeakPolarHBondContact O-CB 3.47Å; S125-E128 PolarHBondContact O-N 3.03Å; S126-E128 VanDerWaalsContact C-N 3.29Å; E128-L148 WeakPolarHBondContact CG-O 3.43Å; E128-T150 HydrophobicContact CB-CG2 3.95Å; E128-T150 PolarHBondContact OE2-N 2.98Å; E128-T150 PolarHBondContact OE2-OG1 2.98Å
129	G	97.9	Very high	95.2	Very high	13 Å²	13	48.6 Å²	48.6	13%	0.134	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	144.7	-174.8	-179.2	0	0	0	0	0	113.9	D127 Y131 Q147 L148	D127-G129 PolarHBondContact O-N 2.63Å; G129-Y131 WeakPolarHBondContact O-CD2 3.46Å; G129-Q147 VanDerWaalsContact C-NE2 3.31Å; G129-Q147 PolarHBondContact O-NE2 3.08Å; G129-L148 PolarHBondContact N-O 2.74Å; G129-L148 PolarHBondContact O-N 2.89Å
130	E	98.5	Very high	94.4	Very high	81 Å²	81	47.6 Å²	47.6	38%	0.379	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	130.8	179.3	-172.6	179	-113.2	0	0	111	K77 T78 I146	K77-E130 WeakPolarHBondContact CA-O 3.22Å; K77-E130 WeakPolarHBondContact CG-O 3.4Å; T78-E130 PolarHBondContact N-O 3.18Å; T78-E130 PolarHBondContact OG1-O 3.17Å; T78-E130 PolarHBondContact OG1-OE2 3.17Å; E130-I146 WeakPolarHBondContact CA-O 3.28Å
131	Y	98.6	Very high	93.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	139	175.5	-68.3	-103	0	0	0	109.3	L55 E76 K77 V83 F100 D127 G129 S145 I146 L148	L55-Y131 HydrophobicContact CD1-CD1 3.92Å; L55-Y131 HydrophobicContact CD1-CD2 4.06Å; L55-Y131 HydrophobicContact CD1-CE1 4.38Å; L55-Y131 HydrophobicContact CD1-CG 3.76Å; E76-Y131 CarbonylContact O-C 3.4Å; E76-Y131 VanDerWaalsContact O-CA 3.22Å; E76-Y131 WeakPolarHBondContact O-CA 3.33Å; K77-Y131 HydrophobicContact CB-CD1 4.18Å; K77-Y131 HydrophobicContact CB-CE1 4.02Å; K77-Y131 HydrophobicContact CD-CE1 4.17Å; K77-Y131 HydrophobicContact CD-CE2 4.25Å; K77-Y131 HydrophobicContact CG-CD1 4.37Å; K77-Y131 HydrophobicContact CG-CE1 4.06Å; K77-Y131 HydrophobicContact CG-CE2 4.19Å; V83-Y131 HydrophobicContact CG1-CE1 4.3Å; V83-Y131 HydrophobicContact CG2-CD1 3.88Å; V83-Y131 HydrophobicContact CG2-CE1 3.76Å; F100-Y131 HydrophobicContact CE1-CE1 4.19Å; F100-Y131 HydrophobicContact CZ-CE1 4.14Å; D127-Y131 WeakPolarHBondContact O-CE2 3.28Å; D127-Y131 PolarHBondContact O-OH 3.12Å; G129-Y131 WeakPolarHBondContact O-CD2 3.46Å; Y131-S145 CarbonylContact O-C 3.53Å; Y131-S145 WeakPolarHBondContact O-CA 3.41Å; Y131-I146 PolarHBondContact N-O 3.35Å; Y131-I146 PolarHBondContact O-N 2.83Å; Y131-L148 HydrophobicContact CD2-CB 3.98Å; Y131-L148 HydrophobicContact CE2-CB 3.76Å; Y131-L148 HydrophobicContact CE2-CD2 3.95Å
132	T	98.4	Very high	93.4	Very high	30 Å²	30	49.1 Å²	49.1	18%	0.184	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.1	173.1	-62.4	0	0	0	0	109.2	W75 E76	W75-T132 WeakPolarHBondContact CA-O 3.29Å; E76-T132 PolarHBondContact N-O 2.8Å; E76-T132 PolarHBondContact O-N 3.21Å
133	C	98.1	Very high	93.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	131.3	168	176.6	0	0	0	0	109.3	C57 S74 W75 T143 V144	C57-C133 HydrophobicContact CB-CB 3.61Å; C57-C133 WeakPolarHBondContact CB-SG 3.21Å; C57-C133 WeakPolarHBondContact SG-CB 3.13Å; C57-C133 CovalentContact SG-SG 2.03Å; C57-C133 PolarHBondContact SG-SG 3.17Å; S74-C133 CarbonylContact O-C 3.58Å; S74-C133 WeakPolarHBondContact O-CA 3.45Å; W75-C133 HydrophobicContact CD2-CB 3.9Å; W75-C133 HydrophobicContact CE3-CB 3.95Å; W75-C133 HydrophobicContact CH2-CB 3.71Å; W75-C133 HydrophobicContact CZ2-CB 3.63Å; W75-C133 HydrophobicContact CZ3-CB 3.86Å; C133-T143 CarbonylContact O-C 3.51Å; C133-T143 WeakPolarHBondContact O-CA 3.44Å; C133-V144 HydrophobicContact CB-CG1 3.92Å; C133-V144 PolarHBondContact N-O 3.06Å; C133-V144 PolarHBondContact O-N 2.79Å
134	T	96.2	Very high	93.1	Very high	9 Å²	9	50.9 Å²	50.9	6%	0.055	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.9	171.3	-54.4	0	0	0	0	109.5	V73 S74 R136 G142 T143	V73-T134 WeakPolarHBondContact CA-O 3.32Å; S74-T134 PolarHBondContact N-O 3.19Å; S74-T134 PolarHBondContact O-N 3.45Å; S74-T134 WeakPolarHBondContact OG-CB 3.48Å; T134-R136 HydrophobicContact CG2-CG 3.94Å; T134-G142 WeakPolarHBondContact CA-O 3.22Å; T134-T143 HydrophobicContact CG2-CG2 3.78Å; T134-T143 WeakPolarHBondContact OG1-CG2 3.13Å
135	I	94.5	Very high	93.1	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130	170.3	-54.3	178.2	0	0	0	107.4	V38 V59 V71 A116 H141 G142	V38-I135 HydrophobicContact CG1-CD1 3.97Å; V38-I135 HydrophobicContact CG1-CG1 4.16Å; V38-I135 HydrophobicContact CG2-CB 3.9Å; V38-I135 HydrophobicContact CG2-CD1 4.16Å; V38-I135 HydrophobicContact CG2-CG1 4.2Å; V59-I135 HydrophobicContact CG2-CD1 3.99Å; V59-I135 HydrophobicContact CG2-CG2 4.29Å; V71-I135 HydrophobicContact CG1-CG2 3.89Å; A116-I135 HydrophobicContact CB-CD1 3.56Å; A116-I135 HydrophobicContact CB-CG1 3.76Å; I135-H141 WeakPolarHBondContact O-CA 3.2Å; I135-G142 PolarHBondContact N-O 3.24Å; I135-G142 PolarHBondContact O-N 2.87Å; I135-G142 VanDerWaalsContact O-N 3.1Å
136	R	91.8	Very high	93.2	Very high	119 Å²	119	43.3 Å²	43.3	45%	0.449	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	130.2	169.7	-40.1	-178.1	167.7	88.6	-0.2	110.5	S72 T134 A140	S72-R136 PolarHBondContact N-O 3.28Å; S72-R136 PolarHBondContact O-N 2.85Å; S72-R136 WeakPolarHBondContact OG-CB 3.23Å; S72-R136 PolarHBondContact OG-O 3.28Å; T134-R136 HydrophobicContact CG2-CG 3.94Å; R136-A140 CarbonylContact C-O 3.52Å
137	S	88.2	Confident	93.2	Very high	24 Å²	24	43.1 Å²	43.1	17%	0.168	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	179.4	170.9	77.1	0	0	0	0	109.9	L68 E70 V139 A140	L68-S137 WeakPolarHBondContact O-CB 3.37Å; E70-S137 WeakPolarHBondContact O-CA 3.38Å; E70-S137 WeakPolarHBondContact O-CB 3.35Å; S137-V139 PolarHBondContact O-N 3.23Å; S137-V139 PolarHBondContact OG-N 2.83Å; S137-A140 PolarHBondContact N-O 2.88Å; S137-A140 PolarHBondContact OG-N 2.82Å; S137-A140 PolarHBondContact OG-O 3.44Å
138	S	81.6	Confident	93.2	Very high	105 Å²	105	43.1 Å²	43.1	73%	0.734	24%	0.239	S	C	*	.	S	Bend	trans	-63.4	-22.3	176.1	56.1	0	0	0	0	114
139	V	77.1	Confident	93.2	Very high	70 Å²	70	41.1 Å²	41.1	42%	0.424	23%	0.227	S	C	.	.	S	Bend	trans	-123.4	-12.4	-170.2	-69.3	0	0	0	0	113	S36 P65 L68 S137	S36-V139 PolarHBondContact OG-O 2.78Å; P65-V139 HydrophobicContact CB-CG2 4.3Å; P65-V139 HydrophobicContact CG-CB 4.16Å; P65-V139 HydrophobicContact CG-CG2 3.47Å; P65-V139 VanDerWaalsContact CG-CG2 3.47Å; L68-V139 HydrophobicContact CB-CG2 4.48Å; L68-V139 HydrophobicContact CD2-CG2 3.66Å; S137-V139 PolarHBondContact O-N 3.23Å; S137-V139 PolarHBondContact OG-N 2.83Å
140	A	80.7	Confident	93.2	Very high	3 Å²	3	40.8 Å²	40.8	3%	0.025	22%	0.223	C	C	.	.			trans	-141.3	133.9	176.7	0	0	0	0	0	111.8	V59 L68 R136 S137	V59-A140 HydrophobicContact CG1-CB 3.94Å; V59-A140 HydrophobicContact CG2-CB 3.86Å; L68-A140 HydrophobicContact CD2-CB 3.81Å; R136-A140 CarbonylContact C-O 3.52Å; S137-A140 PolarHBondContact N-O 2.88Å; S137-A140 PolarHBondContact OG-N 2.82Å; S137-A140 PolarHBondContact OG-O 3.44Å
141	H	87.5	Confident	93.1	Very high	121 Å²	121	36.9 Å²	36.9	56%	0.56	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-144.8	130.8	174.6	177.9	-79.3	0	0	0	108.9	I135	I135-H141 WeakPolarHBondContact O-CA 3.2Å
142	G	90.4	Very high	93.1	Very high	13 Å²	13	37.7 Å²	37.7	13%	0.134	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175	173.6	174.1	0	0	0	0	0	113	T134 I135	T134-G142 WeakPolarHBondContact CA-O 3.22Å; I135-G142 PolarHBondContact N-O 3.24Å; I135-G142 PolarHBondContact O-N 2.87Å; I135-G142 VanDerWaalsContact O-N 3.1Å
143	T	94.3	Very high	93	Very high	84 Å²	84	37.6 Å²	37.6	52%	0.515	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	147.4	-178.3	59.5	0	0	0	0	110.8	C133 T134	C133-T143 CarbonylContact O-C 3.51Å; C133-T143 WeakPolarHBondContact O-CA 3.44Å; T134-T143 HydrophobicContact CG2-CG2 3.78Å; T134-T143 WeakPolarHBondContact OG1-CG2 3.13Å
144	V	95.4	Very high	93	Very high	18 Å²	18	38.2 Å²	38.2	11%	0.109	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	133.2	170	64.6	0	0	0	0	110.1	V38 T43 C57 C133 I146	V38-V144 HydrophobicContact CG1-CB 4.37Å; V38-V144 HydrophobicContact CG1-CG1 3.97Å; T43-V144 HydrophobicContact CG2-CG2 4.5Å; C57-V144 HydrophobicContact CB-CG1 4.27Å; C133-V144 HydrophobicContact CB-CG1 3.92Å; C133-V144 PolarHBondContact N-O 3.06Å; C133-V144 PolarHBondContact O-N 2.79Å; V144-I146 HydrophobicContact CG1-CD1 4.35Å
145	S	96.6	Very high	93	Very high	59 Å²	59	42.1 Å²	42.1	41%	0.413	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	137.3	175.5	-55.3	0	0	0	0	110.5	Y131	Y131-S145 CarbonylContact O-C 3.53Å; Y131-S145 WeakPolarHBondContact O-CA 3.41Å
146	I	97.9	Very high	93.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	120.8	-174.7	-64.4	159.1	0	0	0	108.1	T43 P45 L55 S56 W75 E130 Y131 V144 L148	T43-I146 CarbonylContact O-C 3.48Å; T43-I146 WeakPolarHBondContact O-CA 3.42Å; P45-I146 VanDerWaalsContact CD-CG2 3.47Å; P45-I146 HydrophobicContact CG-CG2 3.78Å; L55-I146 HydrophobicContact CB-CD1 4.34Å; L55-I146 HydrophobicContact CD2-CG2 4.2Å; S56-I146 VanDerWaalsContact O-CD1 3.24Å; S56-I146 WeakPolarHBondContact O-CD1 3.48Å; W75-I146 HydrophobicContact CH2-CD1 3.43Å; W75-I146 VanDerWaalsContact CH2-CD1 3.43Å; W75-I146 HydrophobicContact CZ3-CD1 3.76Å; E130-I146 WeakPolarHBondContact CA-O 3.28Å; Y131-I146 PolarHBondContact N-O 3.35Å; Y131-I146 PolarHBondContact O-N 2.83Å; V144-I146 HydrophobicContact CG1-CD1 4.35Å; I146-L148 PolarHBondContact O-N 2.86Å
147	Q	97.7	Very high	93.2	Very high	68 Å²	68	40.5 Å²	40.5	32%	0.318	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	97.5	174.6	-179.7	65.2	48.4	0	0	109.3	T43 K44 G129 R149	T43-Q147 PolarHBondContact O-N 3.02Å; K44-Q147 VanDerWaalsContact CA-O 3.31Å; K44-Q147 WeakPolarHBondContact CA-O 3.41Å; K44-Q147 HydrophobicContact CG-CB 4.31Å; G129-Q147 VanDerWaalsContact C-NE2 3.31Å; G129-Q147 PolarHBondContact O-NE2 3.08Å; Q147-R149 HydrophobicContact CG-CG 4.34Å; Q147-R149 PolarHBondContact O-N 3.18Å
148	L	98.2	Very high	93.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	131.2	170.7	179	58	0	0	0	109	P45 A47 Q53 L55 L120 D127 E128 G129 Y131 I146	P45-L148 HydrophobicContact CG-CD1 4.13Å; A47-L148 HydrophobicContact CB-CD1 3.83Å; Q53-L148 HydrophobicContact CG-CD1 4.03Å; L55-L148 HydrophobicContact CD2-CB 4.44Å; L55-L148 HydrophobicContact CD2-CD1 4.08Å; L120-L148 HydrophobicContact CD2-CD2 4.04Å; D127-L148 HydrophobicContact CB-CD2 4.34Å; E128-L148 WeakPolarHBondContact CG-O 3.43Å; G129-L148 PolarHBondContact N-O 2.74Å; G129-L148 PolarHBondContact O-N 2.89Å; Y131-L148 HydrophobicContact CD2-CB 3.98Å; Y131-L148 HydrophobicContact CE2-CB 3.76Å; Y131-L148 HydrophobicContact CE2-CD2 3.95Å; I146-L148 PolarHBondContact O-N 2.86Å
149	R	97.8	Very high	94.1	Very high	45 Å²	45	40.9 Å²	40.9	17%	0.17	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	147.9	172.6	-65	175.4	-67.5	148.7	0.9	109.3	K44 P45 V46 A47 Q147 L225 S248	K44-R149 PolarHBondContact O-NH2 3.03Å; P45-R149 PolarHBondContact O-N 3.43Å; V46-R149 CarbonylContact C-O 3.59Å; V46-R149 WeakPolarHBondContact CA-O 3.39Å; A47-R149 PolarHBondContact N-O 2.85Å; Q147-R149 HydrophobicContact CG-CG 4.34Å; Q147-R149 PolarHBondContact O-N 3.18Å; R149-L225 HydrophobicContact CB-CD2 4.41Å; R149-S248 PolarHBondContact NH1-OG 2.82Å; R149-S248 PolarHBondContact NH2-O 3.39Å; R149-S248 PolarHBondContact NH2-OG 3.4Å; R149-S248 VanDerWaalsContact NH2-OG 3.11Å
150	T	97.1	Very high	94.9	Very high	6 Å²	6	39.8 Å²	39.8	4%	0.037	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	142.2	-177	60.7	0	0	0	0	111.8	L49 V123 E128 L225	L49-T150 HydrophobicContact CD2-CG2 3.85Å; V123-T150 HydrophobicContact CG1-CG2 3.96Å; E128-T150 HydrophobicContact CB-CG2 3.95Å; E128-T150 PolarHBondContact OE2-N 2.98Å; E128-T150 PolarHBondContact OE2-OG1 2.98Å; T150-L225 VanDerWaalsContact O-CD1 3.24Å; T150-L225 WeakPolarHBondContact O-CD1 3.4Å
151	A	97.6	Very high	95.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	165.9	175.8	0	0	0	0	0	109.6	V46 A47 N48 L49 F153 F173 L225 V226	V46-A151 HydrophobicContact CG1-CB 3.72Å; A47-A151 PolarHBondContact O-N 2.84Å; N48-A151 CarbonylContact C-O 3.56Å; N48-A151 WeakPolarHBondContact CA-O 3.47Å; N48-A151 PolarHBondContact OD1-O 2.79Å; L49-A151 PolarHBondContact N-O 3.04Å; A151-F153 HydrophobicContact CB-CD1 4.08Å; A151-F153 HydrophobicContact CB-CE1 4.38Å; A151-F173 WeakPolarHBondContact CA-O 3.33Å; A151-F173 WeakPolarHBondContact CB-O 3.34Å; A151-L225 HydrophobicContact CB-CB 4.4Å; A151-L225 HydrophobicContact CB-CD1 4.03Å; A151-V226 HydrophobicContact CB-CG2 3.83Å
152	V	97.6	Very high	95.6	Very high	16 Å²	16	44.3 Å²	44.3	10%	0.097	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.4	163.2	-176.2	0	0	0	0	106.9	N48 L49 W172 F173 I201	N48-V152 WeakPolarHBondContact OD1-CA 3.42Å; L49-V152 HydrophobicContact CB-CG2 4.1Å; L49-V152 HydrophobicContact CD1-CG2 3.75Å; L49-V152 HydrophobicContact CG-CG2 4.07Å; V152-W172 CarbonylContact O-C 3.55Å; V152-W172 VanDerWaalsContact O-CA 3.24Å; V152-W172 WeakPolarHBondContact O-CA 3.31Å; V152-F173 HydrophobicContact CB-CB 3.87Å; V152-F173 HydrophobicContact CG2-CB 3.99Å; V152-F173 PolarHBondContact N-O 2.97Å; V152-F173 PolarHBondContact O-N 3.45Å; V152-I201 HydrophobicContact CG1-CG2 4.49Å; V152-I201 HydrophobicContact CG2-CD1 4.16Å; V152-I201 HydrophobicContact CG2-CG1 4.4Å
153	F	97.3	Very high	95.7	Very high	28 Å²	28	46.8 Å²	46.8	12%	0.123	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	134.3	173.4	52.2	-87.6	0	0	0	110.6	N48 A151 S171 W172 V226 F245 F247	N48-F153 HydrophobicContact CB-CD1 4.21Å; N48-F153 HydrophobicContact CB-CE1 3.5Å; N48-F153 VanDerWaalsContact CB-CE1 3.5Å; N48-F153 HydrophobicContact CB-CE2 4.22Å; N48-F153 HydrophobicContact CB-CZ 3.51Å; N48-F153 PolarHBondContact ND2-O 2.78Å; N48-F153 PolarHBondContact OD1-N 3.07Å; N48-F153 VanDerWaalsContact OD1-N 3.07Å; A151-F153 HydrophobicContact CB-CD1 4.08Å; A151-F153 HydrophobicContact CB-CE1 4.38Å; F153-S171 CarbonylContact C-O 3.53Å; F153-S171 VanDerWaalsContact CA-O 3.3Å; F153-S171 WeakPolarHBondContact CA-O 3.09Å; F153-W172 HydrophobicContact CB-CD2 4.28Å; F153-W172 HydrophobicContact CB-CE3 4.38Å; F153-W172 HydrophobicContact CB-CH2 4.36Å; F153-W172 HydrophobicContact CB-CZ2 4.22Å; F153-W172 HydrophobicContact CB-CZ3 4.43Å; F153-V226 HydrophobicContact CB-CG1 4.46Å; F153-V226 HydrophobicContact CD1-CB 4.41Å; F153-V226 HydrophobicContact CD1-CG1 4.13Å; F153-V226 HydrophobicContact CD1-CG2 3.77Å; F153-V226 HydrophobicContact CD2-CG1 4.48Å; F153-V226 HydrophobicContact CE1-CG2 3.99Å; F153-V226 HydrophobicContact CG-CG1 4.11Å; F153-F245 HydrophobicContact CB-CE1 4.45Å; F153-F245 AromaticContact CD2-CD1 3.91Å; F153-F245 HydrophobicContact CD2-CD1 3.91Å; F153-F245 AromaticContact CD2-CE1 3.56Å; F153-F245 HydrophobicContact CD2-CE1 3.56Å; F153-F245 HydrophobicContact CD2-CZ 4.12Å; F153-F245 HydrophobicContact CE2-CD1 4.22Å; F153-F245 HydrophobicContact CE2-CE1 4.22Å; F153-F245 HydrophobicContact CG-CE1 4.34Å; F153-F247 AromaticContact CE1-CE1 3.9Å; F153-F247 HydrophobicContact CE1-CE1 3.9Å; F153-F247 HydrophobicContact CE2-CE1 4.19Å; F153-F247 HydrophobicContact CE2-CZ 4.3Å; F153-F247 AromaticContact CZ-CE1 3.54Å; F153-F247 HydrophobicContact CZ-CE1 3.54Å; F153-F247 AromaticContact CZ-CZ 3.91Å; F153-F247 HydrophobicContact CZ-CZ 3.91Å
154	S	97.2	Very high	95.7	Very high	14 Å²	14	46 Å²	46	10%	0.098	26%	0.255	C	S	.	.			trans	-110.4	145.2	173.7	61.8	0	0	0	0	110.3	P156 S170 S171 W172	S154-P156 WeakPolarHBondContact O-CD 3.27Å; S154-S170 WeakPolarHBondContact CB-OG 3.45Å; S154-S170 PolarHBondContact OG-N 2.88Å; S154-S170 PolarHBondContact OG-OG 2.94Å; S154-S171 PolarHBondContact N-O 3.19Å; S154-S171 PolarHBondContact OG-N 3.05Å; S154-S171 VanDerWaalsContact OG-N 3.16Å; S154-S171 PolarHBondContact OG-O 3.12Å; S154-W172 PolarHBondContact O-NE1 2.82Å
155	V	96.3	Very high	95.7	Very high	91 Å²	91	45.1 Å²	45.1	55%	0.552	25%	0.25	S	C	*	.	P	Polyproline II helix	trans	-58.5	125.3	171.5	-174.9	0	0	0	0	109.6	T243 F245	V155-T243 HydrophobicContact CG1-CG2 4.39Å; V155-F245 HydrophobicContact CG2-CE2 4.04Å; V155-F245 HydrophobicContact CG2-CZ 4.05Å
156	P	96.1	Very high	95.7	Very high	7 Å²	7	43.6 Å²	43.6	5%	0.045	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-69.2	135.9	178	-18.9	34.8	0	0	0	110.7	S154 E168 A169 I221 A228	S154-P156 WeakPolarHBondContact O-CD 3.27Å; P156-E168 CarbonylContact C-O 3.54Å; P156-E168 WeakPolarHBondContact CA-O 3.13Å; P156-A169 HydrophobicContact CB-CB 4.47Å; P156-I221 HydrophobicContact CB-CD1 3.85Å; P156-I221 HydrophobicContact CG-CD1 3.5Å; P156-I221 VanDerWaalsContact CG-CD1 3.5Å; P156-A228 HydrophobicContact CG-CB 4.49Å
157	T	95.3	Very high	95.6	Very high	78 Å²	78	43.6 Å²	43.6	48%	0.479	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	124.6	174.9	-58.4	0	0	0	0	109.4	E168	T157-E168 PolarHBondContact N-O 3.26Å; T157-E168 PolarHBondContact O-N 2.92Å
158	L	94.4	Very high	95.6	Very high	28 Å²	28	44.4 Å²	44.4	15%	0.147	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	136.1	177.2	-69.8	171.1	0	0	0	111.6	L165 T166 W180 T230 A232 V239	L158-L165 HydrophobicContact CD2-CD1 4.42Å; L158-T166 CarbonylContact C-O 3.56Å; L158-T166 VanDerWaalsContact CA-O 3.23Å; L158-T166 WeakPolarHBondContact CA-O 3.43Å; L158-T166 WeakPolarHBondContact CD2-O 3.44Å; L158-W180 HydrophobicContact CD2-CH2 3.59Å; L158-W180 HydrophobicContact CD2-CZ2 4.44Å; L158-W180 HydrophobicContact CD2-CZ3 4.34Å; L158-T230 HydrophobicContact CD1-CG2 3.37Å; L158-T230 HydrophobicContact CG-CG2 4.12Å; L158-A232 HydrophobicContact CD1-CB 3.23Å; L158-V239 HydrophobicContact CB-CB 4.49Å; L158-V239 HydrophobicContact CB-CG1 3.89Å; L158-V239 HydrophobicContact CD1-CG1 4.24Å
159	K	94	Very high	95.6	Very high	109 Å²	109	44.5 Å²	44.5	47%	0.474	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	139.3	173.9	-55.8	165.3	-178.5	158.1	0	109.4	T166 E168	K159-T166 WeakPolarHBondContact CB-OG1 3.34Å; K159-T166 PolarHBondContact N-O 2.89Å; K159-T166 PolarHBondContact O-N 2.76Å; K159-T166 PolarHBondContact O-OG1 2.93Å; K159-T166 VanDerWaalsContact O-OG1 3.05Å; K159-E168 IonicContact NZ-OE2 3.06Å; K159-E168 PolarHBondContact NZ-OE2 3.09Å
160	F	93.6	Very high	95.5	Very high	48 Å²	48	46.2 Å²	46.2	21%	0.211	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127.2	176.8	177.5	-108.3	0	0	0	110.5	I164 L165 A211 V213 I234 V239	F160-I164 WeakPolarHBondContact CA-O 3.15Å; F160-I164 WeakPolarHBondContact CD2-O 3.49Å; F160-L165 HydrophobicContact CB-CD1 4.11Å; F160-L165 HydrophobicContact CD2-CB 4.28Å; F160-A211 HydrophobicContact CD2-CB 4.5Å; F160-A211 HydrophobicContact CE2-CB 4.03Å; F160-V213 HydrophobicContact CE1-CG2 4.22Å; F160-V213 HydrophobicContact CZ-CG2 4.34Å; F160-I234 HydrophobicContact CD1-CG2 3.49Å; F160-I234 VanDerWaalsContact CD1-CG2 3.49Å; F160-I234 HydrophobicContact CD2-CD1 3.67Å; F160-I234 HydrophobicContact CD2-CG1 4.44Å; F160-I234 HydrophobicContact CD2-CG2 4.18Å; F160-I234 HydrophobicContact CE1-CG2 3.44Å; F160-I234 VanDerWaalsContact CE1-CG2 3.44Å; F160-I234 HydrophobicContact CE2-CD1 3.66Å; F160-I234 HydrophobicContact CE2-CG2 4.11Å; F160-I234 HydrophobicContact CG-CD1 4.26Å; F160-I234 HydrophobicContact CG-CG2 3.86Å; F160-I234 HydrophobicContact CZ-CD1 4.27Å; F160-I234 HydrophobicContact CZ-CG2 3.75Å; F160-V239 HydrophobicContact CB-CG2 3.17Å; F160-V239 HydrophobicContact CG-CG2 4.38Å
161	S	92.5	Very high	95.5	Very high	73 Å²	73	47.5 Å²	47.5	51%	0.51	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	138.8	175.7	-177.8	0	0	0	0	109.5	S163 I164	S161-S163 VanDerWaalsContact C-N 3.3Å; S161-S163 PolarHBondContact O-N 3.21Å; S161-I164 PolarHBondContact N-O 2.93Å; S161-I164 WeakPolarHBondContact O-CA 2.99Å; S161-I164 WeakPolarHBondContact O-CB 3.24Å; S161-I164 PolarHBondContact O-N 2.91Å
162	N	90.8	Very high	95.6	Very high	146 Å²	146	47.5 Å²	47.5	78%	0.781	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	45.1	176.3	-58	-28	0	0	0	113.8	I164	N162-I164 PolarHBondContact O-N 2.03Å; N162-I164 VanDerWaalsContact O-N 3.14Å
163	S	92.1	Very high	95.5	Very high	65 Å²	65	50.2 Å²	50.2	46%	0.455	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	16.9	-176.7	-61	0	0	0	0	115.1	S161 S210 A211	S161-S163 VanDerWaalsContact C-N 3.3Å; S161-S163 PolarHBondContact O-N 3.21Å; S163-S210 PolarHBondContact O-N 2.85Å; S163-A211 PolarHBondContact O-N 2.83Å
164	I	94.1	Very high	95.5	Very high	66 Å²	66	50.6 Å²	50.6	34%	0.338	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	120.8	175	-58.3	169.6	0	0	0	107.7	F160 S161 N162 T166 L208	F160-I164 WeakPolarHBondContact CA-O 3.15Å; F160-I164 WeakPolarHBondContact CD2-O 3.49Å; S161-I164 PolarHBondContact N-O 2.93Å; S161-I164 WeakPolarHBondContact O-CA 2.99Å; S161-I164 WeakPolarHBondContact O-CB 3.24Å; S161-I164 PolarHBondContact O-N 2.91Å; N162-I164 PolarHBondContact O-N 2.03Å; N162-I164 VanDerWaalsContact O-N 3.14Å; I164-T166 HydrophobicContact CG2-CG2 3.78Å; I164-L208 WeakPolarHBondContact CA-O 3.01Å
165	L	95.4	Very high	95.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	125	171.7	-176.6	63.1	0	0	0	108.3	L158 F160 W180 L208 A211 Y217 I234 V239	L158-L165 HydrophobicContact CD2-CD1 4.42Å; F160-L165 HydrophobicContact CB-CD1 4.11Å; F160-L165 HydrophobicContact CD2-CB 4.28Å; L165-W180 HydrophobicContact CD2-CE3 4.4Å; L165-W180 HydrophobicContact CD2-CH2 3.77Å; L165-W180 HydrophobicContact CD2-CZ3 3.39Å; L165-W180 HydrophobicContact CG-CH2 3.74Å; L165-W180 HydrophobicContact CG-CZ3 3.92Å; L165-L208 HydrophobicContact CB-CB 4.42Å; L165-L208 PolarHBondContact N-O 3.18Å; L165-L208 PolarHBondContact O-N 3.27Å; L165-A211 HydrophobicContact CB-CB 3.82Å; L165-Y217 HydrophobicContact CD2-CD2 3.86Å; L165-Y217 HydrophobicContact CD2-CG 4.01Å; L165-I234 HydrophobicContact CD2-CD1 4.29Å; L165-V239 HydrophobicContact CD1-CG1 4.32Å; L165-V239 HydrophobicContact CD1-CG2 3.85Å
166	T	96.2	Very high	95.5	Very high	28 Å²	28	51.1 Å²	51.1	17%	0.172	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	138.7	-177.3	60.2	0	0	0	0	110.2	L158 K159 I164 S206 T207	L158-T166 CarbonylContact C-O 3.56Å; L158-T166 VanDerWaalsContact CA-O 3.23Å; L158-T166 WeakPolarHBondContact CA-O 3.43Å; L158-T166 WeakPolarHBondContact CD2-O 3.44Å; K159-T166 WeakPolarHBondContact CB-OG1 3.34Å; K159-T166 PolarHBondContact N-O 2.89Å; K159-T166 PolarHBondContact O-N 2.76Å; K159-T166 PolarHBondContact O-OG1 2.93Å; K159-T166 VanDerWaalsContact O-OG1 3.05Å; I164-T166 HydrophobicContact CG2-CG2 3.78Å; T166-S206 CarbonylContact C-O 3.58Å; T166-S206 VanDerWaalsContact CA-O 3.3Å; T166-S206 WeakPolarHBondContact CA-O 3.32Å; T166-T207 HydrophobicContact CG2-CG2 3.85Å
167	S	97.1	Very high	95.6	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	120.1	173.5	-174.3	0	0	0	0	109	L205 S206 C219	S167-L205 WeakPolarHBondContact O-CA 3.41Å; S167-S206 PolarHBondContact N-O 3.32Å; S167-S206 PolarHBondContact O-N 3.25Å; S167-C219 VanDerWaalsContact CB-SG 3.56Å; S167-C219 PolarHBondContact OG-SG 2.83Å
168	E	97.1	Very high	95.7	Very high	85 Å²	85	53.7 Å²	53.7	40%	0.397	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.9	-177.9	-174.5	177.7	-173.4	0	0	109.5	P156 T157 K159 L204 L205	P156-E168 CarbonylContact C-O 3.54Å; P156-E168 WeakPolarHBondContact CA-O 3.13Å; T157-E168 PolarHBondContact N-O 3.26Å; T157-E168 PolarHBondContact O-N 2.92Å; K159-E168 IonicContact NZ-OE2 3.06Å; K159-E168 PolarHBondContact NZ-OE2 3.09Å; E168-L204 WeakPolarHBondContact CA-O 3.39Å; E168-L205 HydrophobicContact CB-CD1 4.36Å
169	A	97.8	Very high	95.9	Very high	2 Å²	2	54 Å²	54	2%	0.017	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	131.3	173.1	0	0	0	0	0	109.9	P156 W172 S203 L204 I221	P156-A169 HydrophobicContact CB-CB 4.47Å; A169-W172 VanDerWaalsContact CB-NE1 3.34Å; A169-S203 CarbonylContact O-C 3.59Å; A169-S203 VanDerWaalsContact O-CA 3.31Å; A169-S203 WeakPolarHBondContact O-CA 3.28Å; A169-L204 HydrophobicContact CB-CD1 4.29Å; A169-L204 HydrophobicContact CB-CD2 4.37Å; A169-L204 HydrophobicContact CB-CG 4Å; A169-L204 PolarHBondContact N-O 3.07Å; A169-L204 PolarHBondContact O-N 3.44Å; A169-I221 HydrophobicContact CB-CD1 4.18Å
170	S	96.9	Very high	96.1	Very high	80 Å²	80	48.9 Å²	48.9	56%	0.559	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	-30.4	-168.8	54.8	0	0	0	0	113.8	S154 S203	S154-S170 WeakPolarHBondContact CB-OG 3.45Å; S154-S170 PolarHBondContact OG-N 2.88Å; S154-S170 PolarHBondContact OG-OG 2.94Å; S170-S203 VanDerWaalsContact O-CB 3.28Å; S170-S203 WeakPolarHBondContact O-CB 3.5Å
171	S	96.9	Very high	96.2	Very high	33 Å²	33	48.6 Å²	48.6	23%	0.231	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	121.1	-174.2	53.6	0	0	0	0	112.6	F153 S154 Y202	F153-S171 CarbonylContact C-O 3.53Å; F153-S171 VanDerWaalsContact CA-O 3.3Å; F153-S171 WeakPolarHBondContact CA-O 3.09Å; S154-S171 PolarHBondContact N-O 3.19Å; S154-S171 PolarHBondContact OG-N 3.05Å; S154-S171 VanDerWaalsContact OG-N 3.16Å; S154-S171 PolarHBondContact OG-O 3.12Å; S171-Y202 CarbonylContact C-O 3.57Å; S171-Y202 WeakPolarHBondContact CA-O 3.35Å
172	W	98	Very high	96.3	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	133	177.9	-81.8	73.9	0	0	0	111.8	V152 F153 S154 A169 P176 Y202 I221 V226 A228	V152-W172 CarbonylContact O-C 3.55Å; V152-W172 VanDerWaalsContact O-CA 3.24Å; V152-W172 WeakPolarHBondContact O-CA 3.31Å; F153-W172 HydrophobicContact CB-CD2 4.28Å; F153-W172 HydrophobicContact CB-CE3 4.38Å; F153-W172 HydrophobicContact CB-CH2 4.36Å; F153-W172 HydrophobicContact CB-CZ2 4.22Å; F153-W172 HydrophobicContact CB-CZ3 4.43Å; S154-W172 PolarHBondContact O-NE1 2.82Å; A169-W172 VanDerWaalsContact CB-NE1 3.34Å; W172-P176 HydrophobicContact CB-CG 3.71Å; W172-P176 HydrophobicContact CD2-CB 4.3Å; W172-P176 HydrophobicContact CD2-CG 4.04Å; W172-P176 HydrophobicContact CE3-CB 3.73Å; W172-P176 HydrophobicContact CE3-CG 3.96Å; W172-P176 HydrophobicContact CG-CG 3.96Å; W172-P176 HydrophobicContact CZ3-CB 4.27Å; W172-Y202 PolarHBondContact N-O 3.47Å; W172-Y202 PolarHBondContact O-N 2.84Å; W172-I221 HydrophobicContact CD2-CG2 3.77Å; W172-I221 HydrophobicContact CE3-CG2 3.86Å; W172-I221 HydrophobicContact CH2-CB 3.89Å; W172-I221 HydrophobicContact CH2-CG2 3.61Å; W172-I221 WeakPolarHBondContact CH2-O 3.38Å; W172-I221 HydrophobicContact CZ2-CB 3.85Å; W172-I221 HydrophobicContact CZ2-CG2 3.54Å; W172-I221 HydrophobicContact CZ3-CB 4.46Å; W172-I221 HydrophobicContact CZ3-CG2 3.78Å; W172-V226 HydrophobicContact CZ3-CB 4.48Å; W172-A228 HydrophobicContact CH2-CB 3.51Å; W172-A228 HydrophobicContact CZ2-CB 3.62Å
173	F	96.6	Very high	96.4	Very high	74 Å²	74	45.6 Å²	45.6	33%	0.325	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	134.9	171.8	172.9	-96.4	0	0	0	109.7	A151 V152 G200 I201	A151-F173 WeakPolarHBondContact CA-O 3.33Å; A151-F173 WeakPolarHBondContact CB-O 3.34Å; V152-F173 HydrophobicContact CB-CB 3.87Å; V152-F173 HydrophobicContact CG2-CB 3.99Å; V152-F173 PolarHBondContact N-O 2.97Å; V152-F173 PolarHBondContact O-N 3.45Å; F173-G200 VanDerWaalsContact CD2-O 3.31Å; F173-G200 WeakPolarHBondContact CD2-O 3.33Å; F173-I201 HydrophobicContact CB-CG1 4.16Å
174	P	96.4	Very high	96.4	Very high	35 Å²	35	47.3 Å²	47.3	23%	0.227	26%	0.255	C	S	.	.	S	Bend	cis	-57	167.2	-9.9	-25.9	35	0	0	0	113.6	N223 L225	P174-N223 HydrophobicContact CB-CB 4.38Å; P174-N223 WeakPolarHBondContact CD-ND2 3.18Å; P174-N223 PolarHBondContact O-ND2 2.92Å; P174-L225 HydrophobicContact CG-CD1 4.25Å
175	K	96.9	Very high	96.3	Very high	116 Å²	116	46.5 Å²	46.5	50%	0.504	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-51.7	126.1	176.9	-174.8	179.6	174.6	-176.2	0	109.9	Y202	K175-Y202 HydrophobicContact CB-CD2 3.68Å; K175-Y202 HydrophobicContact CB-CE2 3.66Å; K175-Y202 HydrophobicContact CD-CD2 4.45Å; K175-Y202 HydrophobicContact CD-CE2 4.21Å; K175-Y202 HydrophobicContact CG-CD2 3.85Å; K175-Y202 HydrophobicContact CG-CE2 4.01Å; K175-Y202 HydrophobicContact CG-CG 4.27Å
176	P	97.8	Very high	96.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-94.7	162.6	-177.6	36.9	-34.2	0	0	0	112.9	W172 F194 L204 I221 E222	W172-P176 HydrophobicContact CB-CG 3.71Å; W172-P176 HydrophobicContact CD2-CB 4.3Å; W172-P176 HydrophobicContact CD2-CG 4.04Å; W172-P176 HydrophobicContact CE3-CB 3.73Å; W172-P176 HydrophobicContact CE3-CG 3.96Å; W172-P176 HydrophobicContact CG-CG 3.96Å; W172-P176 HydrophobicContact CZ3-CB 4.27Å; P176-F194 HydrophobicContact CG-CE1 4.11Å; P176-F194 VanDerWaalsContact O-CE1 3.3Å; P176-F194 WeakPolarHBondContact O-CE1 3.44Å; P176-F194 WeakPolarHBondContact O-CZ 3.42Å; P176-L204 HydrophobicContact CG-CD2 3.68Å; P176-I221 HydrophobicContact CB-CG2 3.68Å; P176-I221 HydrophobicContact CG-CG2 3.84Å; P176-E222 CarbonylContact C-O 3.47Å; P176-E222 WeakPolarHBondContact CA-O 3.45Å; P176-E222 WeakPolarHBondContact CB-O 3.22Å
177	D	97.7	Very high	96.3	Very high	114 Å²	114	57 Å²	57	61%	0.61	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	156.8	162.2	-66.2	-44.5	0	0	0	110.2	I221 E222	D177-I221 WeakPolarHBondContact O-CA 3.28Å; D177-E222 PolarHBondContact N-O 2.81Å; D177-E222 PolarHBondContact O-N 3.36Å
178	V	98.1	Very high	96.3	Very high	25 Å²	25	59.5 Å²	59.5	15%	0.152	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	124.5	-177.6	-174.3	0	0	0	0	110.6	T192 F194 L204 R220 I221	V178-T192 HydrophobicContact CB-CG2 4.01Å; V178-T192 HydrophobicContact CG2-CG2 3.81Å; V178-F194 HydrophobicContact CG2-CE1 4.48Å; V178-F194 HydrophobicContact CG2-CZ 4.24Å; V178-L204 HydrophobicContact CG2-CD1 4.15Å; V178-L204 HydrophobicContact CG2-CD2 3.95Å; V178-R220 CarbonylContact C-O 3.56Å; V178-R220 VanDerWaalsContact CA-O 3.31Å; V178-R220 WeakPolarHBondContact CA-O 3.42Å; V178-I221 HydrophobicContact CG1-CG1 4.25Å; V178-I221 HydrophobicContact CG2-CG1 4.18Å; V178-I221 HydrophobicContact CG2-CG2 4.31Å
179	T	97.9	Very high	96.2	Very high	34 Å²	34	63.2 Å²	63.2	21%	0.209	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	141.4	177.5	-50.5	0	0	0	0	110.2	L181 E187 R220	T179-L181 HydrophobicContact CG2-CD2 4.25Å; T179-E187 HydrophobicContact CG2-CG 3.87Å; T179-R220 PolarHBondContact N-O 3.47Å; T179-R220 PolarHBondContact O-N 3.39Å
180	W	97.6	Very high	96.1	Very high	2 Å²	2	65 Å²	65	1%	0.008	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	137.4	172.2	-74.6	84.1	0	0	0	110.4	L158 L165 E187 L188 A190 S206 L208 S218 C219	L158-W180 HydrophobicContact CD2-CH2 3.59Å; L158-W180 HydrophobicContact CD2-CZ2 4.44Å; L158-W180 HydrophobicContact CD2-CZ3 4.34Å; L165-W180 HydrophobicContact CD2-CE3 4.4Å; L165-W180 HydrophobicContact CD2-CH2 3.77Å; L165-W180 HydrophobicContact CD2-CZ3 3.39Å; L165-W180 HydrophobicContact CG-CH2 3.74Å; L165-W180 HydrophobicContact CG-CZ3 3.92Å; W180-E187 CarbonylContact O-C 3.43Å; W180-E187 WeakPolarHBondContact O-CA 3.35Å; W180-L188 HydrophobicContact CB-CB 4.02Å; W180-L188 PolarHBondContact O-N 3.31Å; W180-A190 HydrophobicContact CG-CB 4.02Å; W180-S206 PolarHBondContact NE1-OG 3.04Å; W180-L208 HydrophobicContact CD2-CB 4.22Å; W180-L208 HydrophobicContact CD2-CD2 4.23Å; W180-L208 HydrophobicContact CE3-CB 4.46Å; W180-L208 HydrophobicContact CE3-CD2 3.87Å; W180-L208 HydrophobicContact CZ2-CB 4.49Å; W180-L208 HydrophobicContact CZ3-CD2 4.35Å; W180-S218 CarbonylContact C-O 3.51Å; W180-S218 WeakPolarHBondContact CA-O 3.43Å; W180-C219 HydrophobicContact CD2-CB 4.1Å; W180-C219 HydrophobicContact CE3-CB 3.9Å; W180-C219 HydrophobicContact CH2-CB 3.77Å; W180-C219 HydrophobicContact CZ2-CB 3.97Å; W180-C219 HydrophobicContact CZ3-CB 3.71Å
181	L	97	Very high	96.1	Very high	42 Å²	42	66.6 Å²	66.6	22%	0.22	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	145.1	175.9	-53.9	170.6	0	0	0	109.9	T179 N186 E187 Y217 S218	T179-L181 HydrophobicContact CG2-CD2 4.25Å; L181-N186 VanDerWaalsContact CA-O 3.32Å; L181-N186 WeakPolarHBondContact CA-O 3.48Å; L181-E187 HydrophobicContact CD2-CB 4.44Å; L181-E187 HydrophobicContact CD2-CG 3.69Å; L181-Y217 WeakPolarHBondContact O-CA 3.27Å; L181-S218 PolarHBondContact N-O 3.39Å; L181-S218 PolarHBondContact O-N 3.43Å
182	N	94.4	Very high	96.2	Very high	39 Å²	39	66.9 Å²	66.9	21%	0.209	37%	0.366	C	S	.	.			trans	-81.9	-179.2	168	75.9	-3.7	0	0	0	111.5	T184 G185 N186 L188	N182-T184 VanDerWaalsContact CG-OG1 3.3Å; N182-T184 PolarHBondContact ND2-OG1 2.91Å; N182-T184 PolarHBondContact O-N 2.77Å; N182-T184 VanDerWaalsContact O-N 3.12Å; N182-T184 WeakPolarHBondContact OD1-CA 3.49Å; N182-T184 PolarHBondContact OD1-N 3.03Å; N182-T184 PolarHBondContact OD1-OG1 3.25Å; N182-G185 PolarHBondContact O-N 3.28Å; N182-G185 PolarHBondContact OD1-N 3.33Å; N182-N186 PolarHBondContact N-O 2.95Å; N182-N186 PolarHBondContact OD1-N 3.1Å; N182-L188 HydrophobicContact CB-CD1 3.98Å; N182-L188 HydrophobicContact CB-CD2 4.17Å; N182-L188 HydrophobicContact CB-CG 4.2Å
183	Q	91.6	Very high	96.2	Very high	118 Å²	118	69.6 Å²	69.6	55%	0.551	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-26.3	177.4	-61.5	-170.5	-36.5	0	0	114.6	T216	Q183-T216 WeakPolarHBondContact CG-O 3.43Å; Q183-T216 PolarHBondContact N-O 2.83Å; Q183-T216 PolarHBondContact NE2-OG1 3.39Å
184	T	92.3	Very high	96.2	Very high	101 Å²	101	69.1 Å²	69.1	62%	0.62	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	2.8	-179.3	63.1	0	0	0	0	112.5	N182 N186	N182-T184 VanDerWaalsContact CG-OG1 3.3Å; N182-T184 PolarHBondContact ND2-OG1 2.91Å; N182-T184 PolarHBondContact O-N 2.77Å; N182-T184 VanDerWaalsContact O-N 3.12Å; N182-T184 WeakPolarHBondContact OD1-CA 3.49Å; N182-T184 PolarHBondContact OD1-N 3.03Å; N182-T184 PolarHBondContact OD1-OG1 3.25Å; T184-N186 PolarHBondContact OG1-ND2 2.77Å
185	G	92.1	Very high	96.3	Very high	48 Å²	48	71.2 Å²	71.2	50%	0.495	40%	0.395	S	S	.	.	S	Bend	trans	80.1	12.8	-179	0	0	0	0	0	115.3	N182	N182-G185 PolarHBondContact O-N 3.28Å; N182-G185 PolarHBondContact OD1-N 3.33Å
186	N	95.1	Very high	96.3	Very high	98 Å²	98	70.7 Å²	70.7	52%	0.524	39%	0.394	S	S	.	.			trans	-83	139.2	175.5	-64.4	-35.2	0	0	0	110.8	L181 N182 T184	L181-N186 VanDerWaalsContact CA-O 3.32Å; L181-N186 WeakPolarHBondContact CA-O 3.48Å; N182-N186 PolarHBondContact N-O 2.95Å; N182-N186 PolarHBondContact OD1-N 3.1Å; T184-N186 PolarHBondContact OG1-ND2 2.77Å
187	E	96.4	Very high	96.1	Very high	151 Å²	151	79.2 Å²	79.2	71%	0.706	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	139	176.4	-68.1	-171.3	177.9	0	0	112.4	T179 W180 L181	T179-E187 HydrophobicContact CG2-CG 3.87Å; W180-E187 CarbonylContact O-C 3.43Å; W180-E187 WeakPolarHBondContact O-CA 3.35Å; L181-E187 HydrophobicContact CD2-CB 4.44Å; L181-E187 HydrophobicContact CD2-CG 3.69Å
188	L	96.7	Very high	95.9	Very high	52 Å²	52	76.9 Å²	76.9	27%	0.272	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	142.1	179	-61.5	177.7	0	0	0	110.3	W180 N182 A190 L208 Y217	W180-L188 HydrophobicContact CB-CB 4.02Å; W180-L188 PolarHBondContact O-N 3.31Å; N182-L188 HydrophobicContact CB-CD1 3.98Å; N182-L188 HydrophobicContact CB-CD2 4.17Å; N182-L188 HydrophobicContact CB-CG 4.2Å; L188-A190 PolarHBondContact O-N 2.95Å; L188-L208 HydrophobicContact CB-CD1 3.83Å; L188-L208 HydrophobicContact CD1-CD1 4.12Å; L188-L208 HydrophobicContact CD1-CD2 3.81Å; L188-Y217 HydrophobicContact CD1-CD1 3.67Å; L188-Y217 HydrophobicContact CD1-CE1 3.87Å
189	N	95.4	Very high	95.7	Very high	164 Å²	164	81.7 Å²	81.7	88%	0.877	45%	0.45	S	S	*	.			trans	-74.4	118.4	174.8	-67.8	-43.9	0	0	0	110.2
190	A	96.1	Very high	95.4	Very high	38 Å²	38	81 Å²	81	31%	0.314	45%	0.45	S	S	.	.			trans	-127.1	155.5	174.4	0	0	0	0	0	110.1	W180 L188 T207 L208	W180-A190 HydrophobicContact CG-CB 4.02Å; L188-A190 PolarHBondContact O-N 2.95Å; A190-T207 WeakPolarHBondContact CA-O 3.15Å; A190-L208 HydrophobicContact CB-CB 4.5Å; A190-L208 HydrophobicContact CB-CD1 4.46Å
191	N	97.5	Very high	95.3	Very high	114 Å²	114	83 Å²	83	61%	0.61	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	119.8	172.5	-177	27.3	0	0	0	109.3	S206 T207	N191-S206 CarbonylContact O-C 3.58Å; N191-S206 WeakPolarHBondContact O-CA 3.37Å; N191-T207 PolarHBondContact N-O 3.06Å; N191-T207 PolarHBondContact O-N 2.91Å; N191-T207 PolarHBondContact O-OG1 2.91Å
192	T	97.9	Very high	95.3	Very high	40 Å²	40	83.3 Å²	83.3	25%	0.245	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	129.9	-179	-58.6	0	0	0	0	110.1	V178 F194 S206	V178-T192 HydrophobicContact CB-CG2 4.01Å; V178-T192 HydrophobicContact CG2-CG2 3.81Å; T192-F194 HydrophobicContact CG2-CD2 4.38Å; T192-F194 HydrophobicContact CG2-CE1 4.31Å; T192-F194 HydrophobicContact CG2-CE2 3.67Å; T192-F194 HydrophobicContact CG2-CZ 3.64Å; T192-S206 WeakPolarHBondContact OG1-CB 3.24Å; T192-S206 PolarHBondContact OG1-OG 3.44Å
193	S	97.8	Very high	95.5	Very high	57 Å²	57	82.4 Å²	82.4	40%	0.399	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	145.5	175.4	62.4	0	0	0	0	110.3	L204 L205	S193-L204 VanDerWaalsContact O-CA 3.29Å; S193-L204 WeakPolarHBondContact O-CA 3.5Å; S193-L205 PolarHBondContact N-O 3.41Å; S193-L205 PolarHBondContact O-N 2.77Å; S193-L205 PolarHBondContact OG-O 3.2Å
194	F	98.1	Very high	95.8	Very high	64 Å²	64	77.1 Å²	77.1	28%	0.281	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	142.5	179	-61.4	-87.6	0	0	0	109.5	P176 V178 T192 Y202 S203 L204	P176-F194 HydrophobicContact CG-CE1 4.11Å; P176-F194 VanDerWaalsContact O-CE1 3.3Å; P176-F194 WeakPolarHBondContact O-CE1 3.44Å; P176-F194 WeakPolarHBondContact O-CZ 3.42Å; V178-F194 HydrophobicContact CG2-CE1 4.48Å; V178-F194 HydrophobicContact CG2-CZ 4.24Å; T192-F194 HydrophobicContact CG2-CD2 4.38Å; T192-F194 HydrophobicContact CG2-CE1 4.31Å; T192-F194 HydrophobicContact CG2-CE2 3.67Å; T192-F194 HydrophobicContact CG2-CZ 3.64Å; F194-Y202 HydrophobicContact CB-CD1 4.28Å; F194-S203 CarbonylContact C-O 3.51Å; F194-S203 WeakPolarHBondContact CA-O 3.28Å; F194-L204 HydrophobicContact CD1-CB 3.67Å; F194-L204 HydrophobicContact CD1-CD2 4.48Å; F194-L204 HydrophobicContact CE1-CB 3.82Å; F194-L204 HydrophobicContact CE1-CD2 3.97Å
195	T	97.7	Very high	96.1	Very high	79 Å²	79	75.6 Å²	75.6	49%	0.485	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	124.3	172.7	-59.8	0	0	0	0	108.5	R197 Y202 S203	T195-R197 PolarHBondContact O-N 2.72Å; T195-Y202 CarbonylContact O-C 3.54Å; T195-Y202 WeakPolarHBondContact O-CA 3.34Å; T195-S203 PolarHBondContact N-O 2.82Å; T195-S203 PolarHBondContact O-N 3.24Å; T195-S203 PolarHBondContact O-OG 3.33Å
196	E	96.8	Very high	96.4	Very high	105 Å²	105	73.3 Å²	73.3	49%	0.491	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	119.8	176.1	-165.2	164.8	175.9	0	0	109.6	S198 P199 G200 Y202	E196-S198 VanDerWaalsContact CG-O 3.31Å; E196-S198 WeakPolarHBondContact CG-O 3.37Å; E196-P199 WeakPolarHBondContact OE1-CA 3.39Å; E196-G200 PolarHBondContact OE1-N 3.15Å; E196-Y202 HydrophobicContact CB-CD1 3.95Å; E196-Y202 HydrophobicContact CB-CE1 3.67Å; E196-Y202 HydrophobicContact CG-CD1 4.31Å; E196-Y202 HydrophobicContact CG-CE1 3.86Å; E196-Y202 PolarHBondContact OE2-OH 3.21Å
197	R	94.3	Very high	96.5	Very high	179 Å²	179	70.1 Å²	70.1	68%	0.675	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	-29.1	-176.4	-60.9	-69.8	-75.9	-169.1	-5.4	111.7	T195 I201	T195-R197 PolarHBondContact O-N 2.72Å; R197-I201 PolarHBondContact N-O 2.94Å
198	S	93.1	Very high	96.5	Very high	65 Å²	65	63.2 Å²	63.2	46%	0.455	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	162.8	179.1	-68.1	0	0	0	0	107	E196 G200 I201	E196-S198 VanDerWaalsContact CG-O 3.31Å; E196-S198 WeakPolarHBondContact CG-O 3.37Å; S198-G200 PolarHBondContact O-N 3.29Å; S198-I201 PolarHBondContact O-N 2.72Å
199	P	92.9	Very high	96.4	Very high	125 Å²	125	67.6 Å²	67.6	81%	0.812	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	112.4	-175	-29.4	36.1	0	0	0	112.8	E196 I201	E196-P199 WeakPolarHBondContact OE1-CA 3.39Å; P199-I201 VanDerWaalsContact C-N 3.26Å; P199-I201 PolarHBondContact O-N 3Å
200	G	92	Very high	96.3	Very high	19 Å²	19	64.2 Å²	64.2	20%	0.196	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	-12.7	-178.1	0	0	0	0	0	116.6	F173 E196 S198 Y202	F173-G200 VanDerWaalsContact CD2-O 3.31Å; F173-G200 WeakPolarHBondContact CD2-O 3.33Å; E196-G200 PolarHBondContact OE1-N 3.15Å; S198-G200 PolarHBondContact O-N 3.29Å; G200-Y202 WeakPolarHBondContact O-CD2 3.38Å; G200-Y202 WeakPolarHBondContact O-CE2 3.44Å
201	I	96.4	Very high	96.1	Very high	46 Å²	46	62.5 Å²	62.5	24%	0.236	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	119.5	179.7	-58.3	175.3	0	0	0	109.6	V152 F173 R197 S198 P199	V152-I201 HydrophobicContact CG1-CG2 4.49Å; V152-I201 HydrophobicContact CG2-CD1 4.16Å; V152-I201 HydrophobicContact CG2-CG1 4.4Å; F173-I201 HydrophobicContact CB-CG1 4.16Å; R197-I201 PolarHBondContact N-O 2.94Å; S198-I201 PolarHBondContact O-N 2.72Å; P199-I201 VanDerWaalsContact C-N 3.26Å; P199-I201 PolarHBondContact O-N 3Å
202	Y	97.6	Very high	95.8	Very high	47 Å²	47	62.9 Å²	62.9	18%	0.184	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	136	-177.3	-62.2	-86.3	0	0	0	111.6	S171 W172 K175 F194 T195 E196 G200	S171-Y202 CarbonylContact C-O 3.57Å; S171-Y202 WeakPolarHBondContact CA-O 3.35Å; W172-Y202 PolarHBondContact N-O 3.47Å; W172-Y202 PolarHBondContact O-N 2.84Å; K175-Y202 HydrophobicContact CB-CD2 3.68Å; K175-Y202 HydrophobicContact CB-CE2 3.66Å; K175-Y202 HydrophobicContact CD-CD2 4.45Å; K175-Y202 HydrophobicContact CD-CE2 4.21Å; K175-Y202 HydrophobicContact CG-CD2 3.85Å; K175-Y202 HydrophobicContact CG-CE2 4.01Å; K175-Y202 HydrophobicContact CG-CG 4.27Å; F194-Y202 HydrophobicContact CB-CD1 4.28Å; T195-Y202 CarbonylContact O-C 3.54Å; T195-Y202 WeakPolarHBondContact O-CA 3.34Å; E196-Y202 HydrophobicContact CB-CD1 3.95Å; E196-Y202 HydrophobicContact CB-CE1 3.67Å; E196-Y202 HydrophobicContact CG-CD1 4.31Å; E196-Y202 HydrophobicContact CG-CE1 3.86Å; E196-Y202 PolarHBondContact OE2-OH 3.21Å; G200-Y202 WeakPolarHBondContact O-CD2 3.38Å; G200-Y202 WeakPolarHBondContact O-CE2 3.44Å
203	S	98	Very high	95.4	Very high	21 Å²	21	64.6 Å²	64.6	15%	0.147	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	151.7	154.8	60.9	0	0	0	0	109	A169 S170 F194 T195	A169-S203 CarbonylContact O-C 3.59Å; A169-S203 VanDerWaalsContact O-CA 3.31Å; A169-S203 WeakPolarHBondContact O-CA 3.28Å; S170-S203 VanDerWaalsContact O-CB 3.28Å; S170-S203 WeakPolarHBondContact O-CB 3.5Å; F194-S203 CarbonylContact C-O 3.51Å; F194-S203 WeakPolarHBondContact CA-O 3.28Å; T195-S203 PolarHBondContact N-O 2.82Å; T195-S203 PolarHBondContact O-N 3.24Å; T195-S203 PolarHBondContact O-OG 3.33Å
204	L	97.8	Very high	94.9	Very high	6 Å²	6	66.4 Å²	66.4	3%	0.031	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	150.9	178.3	69.5	88.2	0	0	0	112.2	E168 A169 P176 V178 S193 F194 I221	E168-L204 WeakPolarHBondContact CA-O 3.39Å; A169-L204 HydrophobicContact CB-CD1 4.29Å; A169-L204 HydrophobicContact CB-CD2 4.37Å; A169-L204 HydrophobicContact CB-CG 4Å; A169-L204 PolarHBondContact N-O 3.07Å; A169-L204 PolarHBondContact O-N 3.44Å; P176-L204 HydrophobicContact CG-CD2 3.68Å; V178-L204 HydrophobicContact CG2-CD1 4.15Å; V178-L204 HydrophobicContact CG2-CD2 3.95Å; S193-L204 VanDerWaalsContact O-CA 3.29Å; S193-L204 WeakPolarHBondContact O-CA 3.5Å; F194-L204 HydrophobicContact CD1-CB 3.67Å; F194-L204 HydrophobicContact CD1-CD2 4.48Å; F194-L204 HydrophobicContact CE1-CB 3.82Å; F194-L204 HydrophobicContact CE1-CD2 3.97Å; L204-I221 HydrophobicContact CD1-CD1 3.99Å; L204-I221 HydrophobicContact CD2-CD1 4.21Å; L204-I221 HydrophobicContact CD2-CG2 3.78Å
205	L	98.1	Very high	94.6	Very high	70 Å²	70	66 Å²	66	37%	0.366	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	117.9	170.1	175	66.2	0	0	0	108.1	S167 E168 S193 T207	S167-L205 WeakPolarHBondContact O-CA 3.41Å; E168-L205 HydrophobicContact CB-CD1 4.36Å; S193-L205 PolarHBondContact N-O 3.41Å; S193-L205 PolarHBondContact O-N 2.77Å; S193-L205 PolarHBondContact OG-O 3.2Å; L205-T207 HydrophobicContact CD1-CG2 4.44Å; L205-T207 HydrophobicContact CG-CG2 4.19Å
206	S	98	Very high	94.4	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	131.4	175	-168.1	0	0	0	0	110.4	T166 S167 W180 N191 T192	T166-S206 CarbonylContact C-O 3.58Å; T166-S206 VanDerWaalsContact CA-O 3.3Å; T166-S206 WeakPolarHBondContact CA-O 3.32Å; S167-S206 PolarHBondContact N-O 3.32Å; S167-S206 PolarHBondContact O-N 3.25Å; W180-S206 PolarHBondContact NE1-OG 3.04Å; N191-S206 CarbonylContact O-C 3.58Å; N191-S206 WeakPolarHBondContact O-CA 3.37Å; T192-S206 WeakPolarHBondContact OG1-CB 3.24Å; T192-S206 PolarHBondContact OG1-OG 3.44Å
207	T	97.4	Very high	94.4	Very high	30 Å²	30	59.6 Å²	59.6	18%	0.184	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	120.1	-175.2	66.6	0	0	0	0	110.7	T166 A190 N191 L205	T166-T207 HydrophobicContact CG2-CG2 3.85Å; A190-T207 WeakPolarHBondContact CA-O 3.15Å; N191-T207 PolarHBondContact N-O 3.06Å; N191-T207 PolarHBondContact O-N 2.91Å; N191-T207 PolarHBondContact O-OG1 2.91Å; L205-T207 HydrophobicContact CD1-CG2 4.44Å; L205-T207 HydrophobicContact CG-CG2 4.19Å
208	L	96.8	Very high	94.5	Very high	7 Å²	7	52 Å²	52	4%	0.037	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	121.3	173.4	178.7	66.4	0	0	0	109.3	I164 L165 W180 L188 A190 Y217	I164-L208 WeakPolarHBondContact CA-O 3.01Å; L165-L208 HydrophobicContact CB-CB 4.42Å; L165-L208 PolarHBondContact N-O 3.18Å; L165-L208 PolarHBondContact O-N 3.27Å; W180-L208 HydrophobicContact CD2-CB 4.22Å; W180-L208 HydrophobicContact CD2-CD2 4.23Å; W180-L208 HydrophobicContact CE3-CB 4.46Å; W180-L208 HydrophobicContact CE3-CD2 3.87Å; W180-L208 HydrophobicContact CZ2-CB 4.49Å; W180-L208 HydrophobicContact CZ3-CD2 4.35Å; L188-L208 HydrophobicContact CB-CD1 3.83Å; L188-L208 HydrophobicContact CD1-CD1 4.12Å; L188-L208 HydrophobicContact CD1-CD2 3.81Å; A190-L208 HydrophobicContact CB-CB 4.5Å; A190-L208 HydrophobicContact CB-CD1 4.46Å; L208-Y217 HydrophobicContact CD2-CD1 3.72Å; L208-Y217 HydrophobicContact CD2-CE1 4.06Å; L208-Y217 HydrophobicContact CD2-CG 4.23Å
209	Q	94.9	Very high	94.7	Very high	143 Å²	143	49 Å²	49	67%	0.668	28%	0.28	S	S	*	.	S	Bend	trans	-86.6	158.1	176.6	-64.1	-169.1	3.3	0	0	111.5	A211	Q209-A211 VanDerWaalsContact C-N 3.25Å; Q209-A211 PolarHBondContact O-N 3.38Å
210	S	92.4	Very high	94.9	Very high	94 Å²	94	46.9 Å²	46.9	66%	0.657	26%	0.255	S	S	*	.	S	Bend	trans	61.1	30.4	174.1	-54.6	0	0	0	0	114.4	S163	S163-S210 PolarHBondContact O-N 2.85Å
211	A	91.9	Very high	95.2	Very high	1 Å²	1	46 Å²	46	1%	0.008	25%	0.246	C	C	.	.			trans	-72.2	137.9	173.6	0	0	0	0	0	110.5	F160 S163 L165 Q209 Y217 I234	F160-A211 HydrophobicContact CD2-CB 4.5Å; F160-A211 HydrophobicContact CE2-CB 4.03Å; S163-A211 PolarHBondContact O-N 2.83Å; L165-A211 HydrophobicContact CB-CB 3.82Å; Q209-A211 VanDerWaalsContact C-N 3.25Å; Q209-A211 PolarHBondContact O-N 3.38Å; A211-Y217 WeakPolarHBondContact CA-OH 3.48Å; A211-Y217 HydrophobicContact CB-CE2 3.99Å; A211-I234 HydrophobicContact CB-CD1 3.73Å
212	K	91.1	Very high	95.3	Very high	123 Å²	123	46 Å²	46	54%	0.535	25%	0.245	S	C	.	.			trans	-107.5	145.9	-172.3	-59.9	-174.4	-157.5	150.7	0	112.1	E215 Y217	K212-E215 HydrophobicContact CB-CB 4.47Å; K212-E215 HydrophobicContact CB-CG 4.05Å; K212-E215 WeakPolarHBondContact CD-OE1 3.25Å; K212-E215 IonicContact NZ-OE1 2.58Å; K212-E215 PolarHBondContact NZ-OE1 3.06Å; K212-E215 PolarHBondContact O-N 2.99Å; K212-Y217 PolarHBondContact N-OH 2.8Å
213	V	89.4	Confident	95.2	Very high	75 Å²	75	44.6 Å²	44.6	46%	0.455	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	144.2	172.9	-175.8	0	0	0	0	109.5	F160 E215 I234	F160-V213 HydrophobicContact CE1-CG2 4.22Å; F160-V213 HydrophobicContact CZ-CG2 4.34Å; V213-E215 PolarHBondContact O-N 3.11Å; V213-I234 HydrophobicContact CG2-CG2 4.25Å
214	S	88.4	Confident	95.1	Very high	96 Å²	96	48.1 Å²	48.1	67%	0.671	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	11.3	-176.4	-51.5	0	0	0	0	114.9	I234	S214-I234 WeakPolarHBondContact CA-O 3.27Å; S214-I234 PolarHBondContact N-O 2.89Å
215	E	91.6	Very high	95	Very high	55 Å²	55	48.9 Å²	48.9	26%	0.257	27%	0.27	S	S	.	.			trans	-99.6	158.3	166.9	-69.6	-171.3	-178.4	0	0	111.4	K212 V213 Y217 I234	K212-E215 HydrophobicContact CB-CB 4.47Å; K212-E215 HydrophobicContact CB-CG 4.05Å; K212-E215 WeakPolarHBondContact CD-OE1 3.25Å; K212-E215 IonicContact NZ-OE1 2.58Å; K212-E215 PolarHBondContact NZ-OE1 3.06Å; K212-E215 PolarHBondContact O-N 2.99Å; V213-E215 PolarHBondContact O-N 3.11Å; E215-Y217 HydrophobicContact CB-CE2 3.72Å; E215-Y217 PolarHBondContact OE2-OH 2.98Å; E215-I234 PolarHBondContact O-N 3.42Å; E215-I234 VanDerWaalsContact O-N 3.1Å
216	T	94.3	Very high	95	Very high	39 Å²	39	45.6 Å²	45.6	24%	0.239	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	134	177.6	-53.2	0	0	0	0	108.8	Q183 A232 T233	Q183-T216 WeakPolarHBondContact CG-O 3.43Å; Q183-T216 PolarHBondContact N-O 2.83Å; Q183-T216 PolarHBondContact NE2-OG1 3.39Å; T216-A232 CarbonylContact C-O 3.53Å; T216-A232 VanDerWaalsContact CA-O 3.25Å; T216-A232 WeakPolarHBondContact CA-O 3.49Å; T216-T233 PolarHBondContact OG1-OG1 3.32Å
217	Y	95.9	Very high	94.9	Very high	10 Å²	10	46.7 Å²	46.7	4%	0.039	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	147.6	179.2	-59.1	-84.4	0	0	0	109.1	L165 L181 L188 L208 A211 K212 E215 A232 I234	L165-Y217 HydrophobicContact CD2-CD2 3.86Å; L165-Y217 HydrophobicContact CD2-CG 4.01Å; L181-Y217 WeakPolarHBondContact O-CA 3.27Å; L188-Y217 HydrophobicContact CD1-CD1 3.67Å; L188-Y217 HydrophobicContact CD1-CE1 3.87Å; L208-Y217 HydrophobicContact CD2-CD1 3.72Å; L208-Y217 HydrophobicContact CD2-CE1 4.06Å; L208-Y217 HydrophobicContact CD2-CG 4.23Å; A211-Y217 WeakPolarHBondContact CA-OH 3.48Å; A211-Y217 HydrophobicContact CB-CE2 3.99Å; K212-Y217 PolarHBondContact N-OH 2.8Å; E215-Y217 HydrophobicContact CB-CE2 3.72Å; E215-Y217 PolarHBondContact OE2-OH 2.98Å; Y217-A232 PolarHBondContact N-O 3.3Å; Y217-A232 PolarHBondContact O-N 3.32Å; Y217-I234 HydrophobicContact CD2-CD1 3.84Å; Y217-I234 HydrophobicContact CD2-CG1 4.22Å; Y217-I234 HydrophobicContact CE2-CD1 3.54Å; Y217-I234 HydrophobicContact CE2-CG1 4.22Å
218	S	96.8	Very high	95	Very high	21 Å²	21	45.2 Å²	45.2	15%	0.147	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	118.9	174.2	-57.2	0	0	0	0	109.3	W180 L181 T230	W180-S218 CarbonylContact C-O 3.51Å; W180-S218 WeakPolarHBondContact CA-O 3.43Å; L181-S218 PolarHBondContact N-O 3.39Å; L181-S218 PolarHBondContact O-N 3.43Å; S218-T230 WeakPolarHBondContact CA-O 3.23Å
219	C	97.4	Very high	95	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	118.2	170.2	-177	0	0	0	0	108.5	S167 W180 V229 T230	S167-C219 VanDerWaalsContact CB-SG 3.56Å; S167-C219 PolarHBondContact OG-SG 2.83Å; W180-C219 HydrophobicContact CD2-CB 4.1Å; W180-C219 HydrophobicContact CE3-CB 3.9Å; W180-C219 HydrophobicContact CH2-CB 3.77Å; W180-C219 HydrophobicContact CZ2-CB 3.97Å; W180-C219 HydrophobicContact CZ3-CB 3.71Å; C219-V229 WeakPolarHBondContact O-CA 3.39Å; C219-T230 PolarHBondContact N-O 3.26Å; C219-T230 PolarHBondContact O-N 2.99Å
220	R	97.6	Very high	95.1	Very high	81 Å²	81	40 Å²	40	31%	0.306	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	117.6	178.4	-177.6	164.6	179.7	-102.2	1.4	109.2	V178 T179 E222 V227 A228 V229	V178-R220 CarbonylContact C-O 3.56Å; V178-R220 VanDerWaalsContact CA-O 3.31Å; V178-R220 WeakPolarHBondContact CA-O 3.42Å; T179-R220 PolarHBondContact N-O 3.47Å; T179-R220 PolarHBondContact O-N 3.39Å; R220-E222 IonicContact CZ-OE1 3.86Å; R220-E222 IonicContact CZ-OE2 3.43Å; R220-E222 IonicContact NE-OE2 2.88Å; R220-E222 IonicContact NH1-OE1 2.87Å; R220-E222 PolarHBondContact NH1-OE1 2.86Å; R220-E222 IonicContact NH1-OE2 3.97Å; R220-E222 PolarHBondContact NH1-OE2 2.99Å; R220-E222 IonicContact NH2-OE1 3.24Å; R220-E222 PolarHBondContact NH2-OE1 3.5Å; R220-E222 IonicContact NH2-OE2 3.17Å; R220-E222 PolarHBondContact NH2-OE2 2.95Å; R220-V227 HydrophobicContact CG-CG1 4.08Å; R220-A228 CarbonylContact C-O 3.59Å; R220-A228 WeakPolarHBondContact CA-O 3.44Å; R220-V229 HydrophobicContact CG-CG2 4.17Å
221	I	98.1	Very high	95.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	124.2	175.3	-54.7	176.5	0	0	0	107	P156 A169 W172 P176 D177 V178 L204 A228	P156-I221 HydrophobicContact CB-CD1 3.85Å; P156-I221 HydrophobicContact CG-CD1 3.5Å; P156-I221 VanDerWaalsContact CG-CD1 3.5Å; A169-I221 HydrophobicContact CB-CD1 4.18Å; W172-I221 HydrophobicContact CD2-CG2 3.77Å; W172-I221 HydrophobicContact CE3-CG2 3.86Å; W172-I221 HydrophobicContact CH2-CB 3.89Å; W172-I221 HydrophobicContact CH2-CG2 3.61Å; W172-I221 WeakPolarHBondContact CH2-O 3.38Å; W172-I221 HydrophobicContact CZ2-CB 3.85Å; W172-I221 HydrophobicContact CZ2-CG2 3.54Å; W172-I221 HydrophobicContact CZ3-CB 4.46Å; W172-I221 HydrophobicContact CZ3-CG2 3.78Å; P176-I221 HydrophobicContact CB-CG2 3.68Å; P176-I221 HydrophobicContact CG-CG2 3.84Å; D177-I221 WeakPolarHBondContact O-CA 3.28Å; V178-I221 HydrophobicContact CG1-CG1 4.25Å; V178-I221 HydrophobicContact CG2-CG1 4.18Å; V178-I221 HydrophobicContact CG2-CG2 4.31Å; L204-I221 HydrophobicContact CD1-CD1 3.99Å; L204-I221 HydrophobicContact CD2-CD1 4.21Å; L204-I221 HydrophobicContact CD2-CG2 3.78Å; I221-A228 PolarHBondContact N-O 2.91Å; I221-A228 PolarHBondContact O-N 3.47Å
222	E	97.3	Very high	95.3	Very high	47 Å²	47	40.1 Å²	40.1	22%	0.22	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	155.2	-174.2	66.4	170.1	161.3	0	0	115.1	P176 D177 R220 V226 V227	P176-E222 CarbonylContact C-O 3.47Å; P176-E222 WeakPolarHBondContact CA-O 3.45Å; P176-E222 WeakPolarHBondContact CB-O 3.22Å; D177-E222 PolarHBondContact N-O 2.81Å; D177-E222 PolarHBondContact O-N 3.36Å; R220-E222 IonicContact CZ-OE1 3.86Å; R220-E222 IonicContact CZ-OE2 3.43Å; R220-E222 IonicContact NE-OE2 2.88Å; R220-E222 IonicContact NH1-OE1 2.87Å; R220-E222 PolarHBondContact NH1-OE1 2.86Å; R220-E222 IonicContact NH1-OE2 3.97Å; R220-E222 PolarHBondContact NH1-OE2 2.99Å; R220-E222 IonicContact NH2-OE1 3.24Å; R220-E222 PolarHBondContact NH2-OE1 3.5Å; R220-E222 IonicContact NH2-OE2 3.17Å; R220-E222 PolarHBondContact NH2-OE2 2.95Å; E222-V226 CarbonylContact C-O 3.49Å; E222-V226 WeakPolarHBondContact CA-O 3.34Å; E222-V227 HydrophobicContact CB-CB 4.17Å; E222-V227 HydrophobicContact CB-CG1 4.1Å; E222-V227 HydrophobicContact CB-CG2 3.87Å
223	N	96.8	Very high	95.4	Very high	18 Å²	18	37.2 Å²	37.2	10%	0.096	21%	0.211	C	C	.	.			trans	-138.3	-172.5	162.9	62.4	39	0	0	0	109.2	P174 L225 V226	P174-N223 HydrophobicContact CB-CB 4.38Å; P174-N223 WeakPolarHBondContact CD-ND2 3.18Å; P174-N223 PolarHBondContact O-ND2 2.92Å; N223-L225 PolarHBondContact O-N 3.33Å; N223-L225 WeakPolarHBondContact OD1-CA 3.24Å; N223-L225 WeakPolarHBondContact OD1-CB 3.43Å; N223-L225 PolarHBondContact OD1-N 3.29Å; N223-V226 PolarHBondContact N-O 3.34Å; N223-V226 PolarHBondContact OD1-N 3.26Å
224	S	95.1	Very high	95.4	Very high	95 Å²	95	33.7 Å²	33.7	66%	0.664	19%	0.189	S	C	*	.	S	Bend	trans	-61.8	-14.9	-179.7	58.6	0	0	0	0	115	S248	S224-S248 PolarHBondContact O-OG 2.93Å
225	L	96.2	Very high	95.3	Very high	22 Å²	22	31.4 Å²	31.4	12%	0.115	17%	0.173	C	C	.	.	S	Bend	trans	-107.4	-42	-176.4	-60.8	-177.2	0	0	0	113.2	V46 R149 T150 A151 P174 N223 S248	V46-L225 HydrophobicContact CG1-CB 4.06Å; V46-L225 HydrophobicContact CG2-CB 4.32Å; V46-L225 HydrophobicContact CG2-CD2 4.48Å; R149-L225 HydrophobicContact CB-CD2 4.41Å; T150-L225 VanDerWaalsContact O-CD1 3.24Å; T150-L225 WeakPolarHBondContact O-CD1 3.4Å; A151-L225 HydrophobicContact CB-CB 4.4Å; A151-L225 HydrophobicContact CB-CD1 4.03Å; P174-L225 HydrophobicContact CG-CD1 4.25Å; N223-L225 PolarHBondContact O-N 3.33Å; N223-L225 WeakPolarHBondContact OD1-CA 3.24Å; N223-L225 WeakPolarHBondContact OD1-CB 3.43Å; N223-L225 PolarHBondContact OD1-N 3.29Å; L225-S248 WeakPolarHBondContact CA-OG 3.46Å; L225-S248 PolarHBondContact O-N 2.92Å; L225-S248 PolarHBondContact O-OG 2.9Å
226	V	96.9	Very high	94.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	137	-168.2	-170.1	0	0	0	0	110.6	V46 A151 F153 W172 E222 N223 F245 F247	V46-V226 HydrophobicContact CG1-CG2 3.82Å; A151-V226 HydrophobicContact CB-CG2 3.83Å; F153-V226 HydrophobicContact CB-CG1 4.46Å; F153-V226 HydrophobicContact CD1-CB 4.41Å; F153-V226 HydrophobicContact CD1-CG1 4.13Å; F153-V226 HydrophobicContact CD1-CG2 3.77Å; F153-V226 HydrophobicContact CD2-CG1 4.48Å; F153-V226 HydrophobicContact CE1-CG2 3.99Å; F153-V226 HydrophobicContact CG-CG1 4.11Å; W172-V226 HydrophobicContact CZ3-CB 4.48Å; E222-V226 CarbonylContact C-O 3.49Å; E222-V226 WeakPolarHBondContact CA-O 3.34Å; N223-V226 PolarHBondContact N-O 3.34Å; N223-V226 PolarHBondContact OD1-N 3.26Å; V226-F245 HydrophobicContact CG1-CD1 3.93Å; V226-F247 HydrophobicContact CB-CD1 4.49Å; V226-F247 HydrophobicContact CG1-CD1 4.12Å; V226-F247 HydrophobicContact CG1-CE1 3.9Å; V226-F247 HydrophobicContact CG2-CD1 3.95Å; V226-F247 HydrophobicContact CG2-CE1 4.14Å
227	V	97.6	Very high	93	Very high	23 Å²	23	36.6 Å²	36.6	14%	0.139	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	126.4	169.9	-178	0	0	0	0	107.9	R220 E222 V229 F245 T246	R220-V227 HydrophobicContact CG-CG1 4.08Å; E222-V227 HydrophobicContact CB-CB 4.17Å; E222-V227 HydrophobicContact CB-CG1 4.1Å; E222-V227 HydrophobicContact CB-CG2 3.87Å; V227-V229 HydrophobicContact CG1-CG2 4.02Å; V227-F245 CarbonylContact O-C 3.6Å; V227-F245 WeakPolarHBondContact O-CA 3.44Å; V227-T246 WeakPolarHBondContact CB-OG1 3.46Å; V227-T246 PolarHBondContact N-O 2.9Å; V227-T246 PolarHBondContact O-N 3.42Å
228	A	97.8	Very high	92.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	122.7	169.1	0	0	0	0	0	109.3	P156 W172 R220 I221 T243 F244 F245	P156-A228 HydrophobicContact CG-CB 4.49Å; W172-A228 HydrophobicContact CH2-CB 3.51Å; W172-A228 HydrophobicContact CZ2-CB 3.62Å; R220-A228 CarbonylContact C-O 3.59Å; R220-A228 WeakPolarHBondContact CA-O 3.44Å; I221-A228 PolarHBondContact N-O 2.91Å; I221-A228 PolarHBondContact O-N 3.47Å; A228-T243 HydrophobicContact CB-CG2 4.27Å; A228-F244 WeakPolarHBondContact CA-O 3.1Å; A228-F245 HydrophobicContact CB-CD1 3.8Å; A228-F245 HydrophobicContact CB-CE1 3.55Å; A228-F245 HydrophobicContact CB-CZ 4.27Å
229	V	97.4	Very high	91.9	Very high	38 Å²	38	38.2 Å²	38.2	23%	0.23	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	118.1	173.5	-178	0	0	0	0	108	C219 R220 V227 E231 T243 F244	C219-V229 WeakPolarHBondContact O-CA 3.39Å; R220-V229 HydrophobicContact CG-CG2 4.17Å; V227-V229 HydrophobicContact CG1-CG2 4.02Å; V229-E231 HydrophobicContact CG1-CG 4.33Å; V229-T243 CarbonylContact O-C 3.13Å; V229-T243 VanDerWaalsContact O-CA 3.31Å; V229-T243 WeakPolarHBondContact O-CA 3.37Å; V229-F244 PolarHBondContact N-O 3.43Å; V229-F244 PolarHBondContact O-N 2.94Å
230	T	96.6	Very high	91.5	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.018	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	109.7	173.1	-51.9	0	0	0	0	109.3	L158 S218 C219 R242 T243	L158-T230 HydrophobicContact CD1-CG2 3.37Å; L158-T230 HydrophobicContact CG-CG2 4.12Å; S218-T230 WeakPolarHBondContact CA-O 3.23Å; C219-T230 PolarHBondContact N-O 3.26Å; C219-T230 PolarHBondContact O-N 2.99Å; T230-R242 CarbonylContact C-O 3.58Å; T230-R242 VanDerWaalsContact CA-O 3.31Å; T230-R242 WeakPolarHBondContact CA-O 3.4Å; T230-T243 WeakPolarHBondContact CG2-OG1 3.29Å; T230-T243 PolarHBondContact OG1-OG1 3.4Å
231	E	95.1	Very high	91	Very high	97 Å²	97	42.1 Å²	42.1	45%	0.453	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	127.3	172.8	-63.1	-177	160.4	0	0	108.8	V229 G241 R242	V229-E231 HydrophobicContact CG1-CG 4.33Å; E231-G241 CarbonylContact O-C 3.36Å; E231-G241 WeakPolarHBondContact O-CA 3.34Å; E231-R242 PolarHBondContact N-O 2.94Å; E231-R242 PolarHBondContact O-N 3.3Å
232	A	93.6	Very high	90.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	127	-172.3	0	0	0	0	0	113.1	L158 T216 Y217 V239 L240	L158-A232 HydrophobicContact CD1-CB 3.23Å; T216-A232 CarbonylContact C-O 3.53Å; T216-A232 VanDerWaalsContact CA-O 3.25Å; T216-A232 WeakPolarHBondContact CA-O 3.49Å; Y217-A232 PolarHBondContact N-O 3.3Å; Y217-A232 PolarHBondContact O-N 3.32Å; A232-V239 HydrophobicContact CB-CG1 3.74Å; A232-L240 WeakPolarHBondContact CA-O 3.39Å
233	T	93	Very high	90.8	Very high	61 Å²	61	50.2 Å²	50.2	37%	0.374	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	128.7	173.8	-55.6	0	0	0	0	109.2	T216 L240	T216-T233 PolarHBondContact OG1-OG1 3.32Å; T233-L240 PolarHBondContact N-O 3.45Å; T233-L240 PolarHBondContact O-N 2.9Å; T233-L240 VanDerWaalsContact O-N 3.09Å
234	I	91.1	Very high	90.7	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	119.1	178.7	-56.8	-179.4	0	0	0	108.4	F160 L165 A211 V213 S214 E215 Y217	F160-I234 HydrophobicContact CD1-CG2 3.49Å; F160-I234 VanDerWaalsContact CD1-CG2 3.49Å; F160-I234 HydrophobicContact CD2-CD1 3.67Å; F160-I234 HydrophobicContact CD2-CG1 4.44Å; F160-I234 HydrophobicContact CD2-CG2 4.18Å; F160-I234 HydrophobicContact CE1-CG2 3.44Å; F160-I234 VanDerWaalsContact CE1-CG2 3.44Å; F160-I234 HydrophobicContact CE2-CD1 3.66Å; F160-I234 HydrophobicContact CE2-CG2 4.11Å; F160-I234 HydrophobicContact CG-CD1 4.26Å; F160-I234 HydrophobicContact CG-CG2 3.86Å; F160-I234 HydrophobicContact CZ-CD1 4.27Å; F160-I234 HydrophobicContact CZ-CG2 3.75Å; L165-I234 HydrophobicContact CD2-CD1 4.29Å; A211-I234 HydrophobicContact CB-CD1 3.73Å; V213-I234 HydrophobicContact CG2-CG2 4.25Å; S214-I234 WeakPolarHBondContact CA-O 3.27Å; S214-I234 PolarHBondContact N-O 2.89Å; E215-I234 PolarHBondContact O-N 3.42Å; E215-I234 VanDerWaalsContact O-N 3.1Å; Y217-I234 HydrophobicContact CD2-CD1 3.84Å; Y217-I234 HydrophobicContact CD2-CG1 4.22Å; Y217-I234 HydrophobicContact CE2-CD1 3.54Å; Y217-I234 HydrophobicContact CE2-CG1 4.22Å
235	S	84.4	Confident	90.8	Very high	48 Å²	48	52.8 Å²	52.8	34%	0.336	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	159.7	171.9	66.8	0	0	0	0	109.8	S237 G238	S235-S237 PolarHBondContact O-N 3.29Å; S235-G238 PolarHBondContact N-O 3.41Å; S235-G238 PolarHBondContact O-N 2.93Å; S235-G238 VanDerWaalsContact O-N 3.08Å; S235-G238 PolarHBondContact OG-O 3.33Å
236	G	71.3	Confident	90.7	Very high	81 Å²	81	55.7 Å²	55.7	84%	0.835	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-14.2	-180	0	0	0	0	0	115
237	S	68.2	Low	90.6	Very high	122 Å²	122	59.8 Å²	59.8	85%	0.853	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	-0.9	179	55.7	0	0	0	0	114.8	S235	S235-S237 PolarHBondContact O-N 3.29Å
238	G	80.8	Confident	90.3	Very high	25 Å²	25	60.4 Å²	60.4	26%	0.258	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	157.1	-155.5	178.3	0	0	0	0	0	114.9	S235	S235-G238 PolarHBondContact N-O 3.41Å; S235-G238 PolarHBondContact O-N 2.93Å; S235-G238 VanDerWaalsContact O-N 3.08Å; S235-G238 PolarHBondContact OG-O 3.33Å
239	V	88.8	Confident	89.4	Confident	41 Å²	41	65.4 Å²	65.4	25%	0.248	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	123.8	177.1	-172.8	0	0	0	0	108.9	L158 F160 L165 A232	L158-V239 HydrophobicContact CB-CB 4.49Å; L158-V239 HydrophobicContact CB-CG1 3.89Å; L158-V239 HydrophobicContact CD1-CG1 4.24Å; F160-V239 HydrophobicContact CB-CG2 3.17Å; F160-V239 HydrophobicContact CG-CG2 4.38Å; L165-V239 HydrophobicContact CD1-CG1 4.32Å; L165-V239 HydrophobicContact CD1-CG2 3.85Å; A232-V239 HydrophobicContact CB-CG1 3.74Å
240	L	88.1	Confident	87.7	Confident	126 Å²	126	64.7 Å²	64.7	66%	0.66	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102	112.7	167.1	-176.8	67.9	0	0	0	108	A232 T233	A232-L240 WeakPolarHBondContact CA-O 3.39Å; T233-L240 PolarHBondContact N-O 3.45Å; T233-L240 PolarHBondContact O-N 2.9Å; T233-L240 VanDerWaalsContact O-N 3.09Å
241	G	87.6	Confident	85.5	Confident	37 Å²	37	69.4 Å²	69.4	38%	0.381	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	152.7	-178.6	0	0	0	0	0	113.3	E231	E231-G241 CarbonylContact O-C 3.36Å; E231-G241 WeakPolarHBondContact O-CA 3.34Å
242	R	93.8	Very high	83.2	Confident	179 Å²	179	69.7 Å²	69.7	68%	0.675	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.7	134.6	168.7	-65.3	-177.3	-178.2	-173.5	0.8	109.2	T230 E231 F244	T230-R242 CarbonylContact C-O 3.58Å; T230-R242 VanDerWaalsContact CA-O 3.31Å; T230-R242 WeakPolarHBondContact CA-O 3.4Å; E231-R242 PolarHBondContact N-O 2.94Å; E231-R242 PolarHBondContact O-N 3.3Å; R242-F244 HydrophobicContact CB-CE2 4.14Å; R242-F244 HydrophobicContact CB-CZ 4.25Å
243	T	96.1	Very high	80.8	Confident	38 Å²	38	76.4 Å²	76.4	23%	0.233	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	132.4	179	-54.4	0	0	0	0	110.5	V155 A228 V229 T230 F245	V155-T243 HydrophobicContact CG1-CG2 4.39Å; A228-T243 HydrophobicContact CB-CG2 4.27Å; V229-T243 CarbonylContact O-C 3.13Å; V229-T243 VanDerWaalsContact O-CA 3.31Å; V229-T243 WeakPolarHBondContact O-CA 3.37Å; T230-T243 WeakPolarHBondContact CG2-OG1 3.29Å; T230-T243 PolarHBondContact OG1-OG1 3.4Å; T243-F245 HydrophobicContact CG2-CD2 4.32Å; T243-F245 HydrophobicContact CG2-CE2 3.78Å; T243-F245 HydrophobicContact CG2-CZ 3.97Å
244	F	96.2	Very high	78.7	Confident	107 Å²	107	79.2 Å²	79.2	47%	0.469	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	137	173.6	-55.4	-83.8	0	0	0	109.4	A228 V229 R242	A228-F244 WeakPolarHBondContact CA-O 3.1Å; V229-F244 PolarHBondContact N-O 3.43Å; V229-F244 PolarHBondContact O-N 2.94Å; R242-F244 HydrophobicContact CB-CE2 4.14Å; R242-F244 HydrophobicContact CB-CZ 4.25Å
245	F	95.8	Very high	76.6	Confident	60 Å²	60	84.1 Å²	84.1	26%	0.263	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	135.2	174.7	-68.7	-86.8	0	0	0	110.4	F153 V155 V226 V227 A228 T243 F247	F153-F245 HydrophobicContact CB-CE1 4.45Å; F153-F245 AromaticContact CD2-CD1 3.91Å; F153-F245 HydrophobicContact CD2-CD1 3.91Å; F153-F245 AromaticContact CD2-CE1 3.56Å; F153-F245 HydrophobicContact CD2-CE1 3.56Å; F153-F245 HydrophobicContact CD2-CZ 4.12Å; F153-F245 HydrophobicContact CE2-CD1 4.22Å; F153-F245 HydrophobicContact CE2-CE1 4.22Å; F153-F245 HydrophobicContact CG-CE1 4.34Å; V155-F245 HydrophobicContact CG2-CE2 4.04Å; V155-F245 HydrophobicContact CG2-CZ 4.05Å; V226-F245 HydrophobicContact CG1-CD1 3.93Å; V227-F245 CarbonylContact O-C 3.6Å; V227-F245 WeakPolarHBondContact O-CA 3.44Å; A228-F245 HydrophobicContact CB-CD1 3.8Å; A228-F245 HydrophobicContact CB-CE1 3.55Å; A228-F245 HydrophobicContact CB-CZ 4.27Å; T243-F245 HydrophobicContact CG2-CD2 4.32Å; T243-F245 HydrophobicContact CG2-CE2 3.78Å; T243-F245 HydrophobicContact CG2-CZ 3.97Å; F245-F247 HydrophobicContact CB-CE2 4.19Å; F245-F247 HydrophobicContact CB-CZ 3.94Å
246	T	95.7	Very high	74.8	Confident	83 Å²	83	85.1 Å²	85.1	51%	0.509	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	142.7	166.7	58.6	0	0	0	0	109.7	V227	V227-T246 WeakPolarHBondContact CB-OG1 3.46Å; V227-T246 PolarHBondContact N-O 2.9Å; V227-T246 PolarHBondContact O-N 3.42Å
247	F	94.4	Very high	73.7	Confident	85 Å²	85	87.7 Å²	87.7	37%	0.373	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	139.6	-176	-55.8	-78.4	0	0	0	109	V46 F153 V226 F245 V249	V46-F247 HydrophobicContact CB-CB 4.46Å; V46-F247 HydrophobicContact CB-CD1 4.03Å; V46-F247 HydrophobicContact CG1-CD1 4.32Å; V46-F247 HydrophobicContact CG2-CB 4.43Å; F153-F247 AromaticContact CE1-CE1 3.9Å; F153-F247 HydrophobicContact CE1-CE1 3.9Å; F153-F247 HydrophobicContact CE2-CE1 4.19Å; F153-F247 HydrophobicContact CE2-CZ 4.3Å; F153-F247 AromaticContact CZ-CE1 3.54Å; F153-F247 HydrophobicContact CZ-CE1 3.54Å; F153-F247 AromaticContact CZ-CZ 3.91Å; F153-F247 HydrophobicContact CZ-CZ 3.91Å; V226-F247 HydrophobicContact CB-CD1 4.49Å; V226-F247 HydrophobicContact CG1-CD1 4.12Å; V226-F247 HydrophobicContact CG1-CE1 3.9Å; V226-F247 HydrophobicContact CG2-CD1 3.95Å; V226-F247 HydrophobicContact CG2-CE1 4.14Å; F245-F247 HydrophobicContact CB-CE2 4.19Å; F245-F247 HydrophobicContact CB-CZ 3.94Å; F247-V249 PolarHBondContact O-N 3Å
248	S	89.8	Confident	72.7	Confident	37 Å²	37	90 Å²	90	26%	0.259	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-57.7	126.4	171.3	55.8	0	0	0	0	109.6	R149 S224 L225	R149-S248 PolarHBondContact NH1-OG 2.82Å; R149-S248 PolarHBondContact NH2-O 3.39Å; R149-S248 PolarHBondContact NH2-OG 3.4Å; R149-S248 VanDerWaalsContact NH2-OG 3.11Å; S224-S248 PolarHBondContact O-OG 2.93Å; L225-S248 WeakPolarHBondContact CA-OG 3.46Å; L225-S248 PolarHBondContact O-N 2.92Å; L225-S248 PolarHBondContact O-OG 2.9Å
249	V	79.6	Confident	71.3	Confident	104 Å²	104	94.1 Å²	94.1	63%	0.63	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-103.8	163.1	175	-70.3	0	0	0	0	110	F247 S251	F247-V249 PolarHBondContact O-N 3Å; V249-S251 PolarHBondContact O-N 3.3Å
250	A	61.1	Low	69.3	Low	24 Å²	24	96.6 Å²	96.6	20%	0.198	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-59.3	129.3	165.2	0	0	0	0	0	109.1	T43 K44 T252	T43-A250 WeakPolarHBondContact OG1-CB 3.48Å; K44-A250 HydrophobicContact CB-CB 4.4Å; K44-A250 HydrophobicContact CD-CB 3.91Å; K44-A250 HydrophobicContact CG-CB 3.99Å; A250-T252 PolarHBondContact O-N 3.32Å; A250-T252 VanDerWaalsContact O-N 3.09Å
251	S	50.5	Low	67.7	Low	101 Å²	101	95.9 Å²	95.9	71%	0.706	51%	0.507	S	S	*	.			trans	-60.5	115.5	171.9	50.3	0	0	0	0	108.8	V249 Q253	V249-S251 PolarHBondContact O-N 3.3Å; S251-Q253 PolarHBondContact O-N 3.47Å
252	T	47	Very low	66.2	Low	104 Å²	104	98.9 Å²	98.9	64%	0.638	51%	0.513	S	S	*	.			trans	-71.4	94.5	173.1	51.3	0	0	0	0	107.9	A250 L254	A250-T252 PolarHBondContact O-N 3.32Å; A250-T252 VanDerWaalsContact O-N 3.09Å; T252-L254 PolarHBondContact O-N 2.8Å
253	Q	43.8	Very low	64.2	Low	141 Å²	141	94.1 Å²	94.1	66%	0.659	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	8.3	171.4	-72.8	-156.4	-20.4	0	0	113.8	S251 V255 S256	S251-Q253 PolarHBondContact O-N 3.47Å; Q253-V255 PolarHBondContact O-N 3.47Å; Q253-S256 PolarHBondContact O-N 3.04Å
254	L	48	Very low	62.1	Low	120 Å²	120	95.7 Å²	95.7	63%	0.628	52%	0.516	S	S	*	.	H	α-helix	trans	-68.6	-17.2	-176.9	-68.7	172.2	0	0	0	114.1	T252 S256	T252-L254 PolarHBondContact O-N 2.8Å; L254-S256 VanDerWaalsContact C-N 3.29Å; L254-S256 PolarHBondContact O-N 3.5Å
255	V	47.5	Very low	60.1	Low	104 Å²	104	94.1 Å²	94.1	63%	0.63	52%	0.515	S	S	*	.	H	α-helix	trans	-73.6	-23.1	176	-172	0	0	0	0	111.7	Q253 L259	Q253-V255 PolarHBondContact O-N 3.47Å; V255-L259 HydrophobicContact CG1-CD1 4.17Å; V255-L259 WeakPolarHBondContact O-CD1 3.32Å
256	S	46.5	Very low	57.9	Low	69 Å²	69	95.7 Å²	95.7	48%	0.483	53%	0.526	S	S	.	.	H	α-helix	trans	-81.5	-34.7	-176	-169	0	0	0	0	113.4	Q253 L254 N260	Q253-S256 PolarHBondContact O-N 3.04Å; L254-S256 VanDerWaalsContact C-N 3.29Å; L254-S256 PolarHBondContact O-N 3.5Å; S256-N260 PolarHBondContact O-N 2.97Å; S256-N260 PolarHBondContact O-ND2 3.02Å
257	F	47.8	Very low	55.5	Low	135 Å²	135	95.9 Å²	95.9	59%	0.592	53%	0.53	S	S	*	.	H	α-helix	trans	-73.9	-36	-177.5	-73.6	-79.1	0	0	0	113.2	N260 I261	F257-N260 PolarHBondContact O-N 3.39Å; F257-I261 WeakPolarHBondContact O-CG1 3.27Å; F257-I261 PolarHBondContact O-N 3Å
258	Y	48	Very low	53.2	Low	171 Å²	171	98.6 Å²	98.6	67%	0.671	55%	0.546	S	S	*	.	H	α-helix	trans	-67.2	-39.1	177.5	-88.4	-85.2	0	0	0	112.9	I262	Y258-I262 WeakPolarHBondContact O-CG1 3.39Å; Y258-I262 PolarHBondContact O-N 3.11Å
259	L	50.5	Low	51.1	Low	110 Å²	110	104.5 Å²	104.5	58%	0.576	57%	0.567	S	S	*	*	H	α-helix	trans	-65.7	-39.4	175.5	-97.6	101.9	0	0	0	112.2	V255 I262 T263	V255-L259 HydrophobicContact CG1-CD1 4.17Å; V255-L259 WeakPolarHBondContact O-CD1 3.32Å; L259-I262 PolarHBondContact O-N 2.92Å; L259-T263 WeakPolarHBondContact O-CG2 3.27Å; L259-T263 PolarHBondContact O-N 3Å; L259-T263 PolarHBondContact O-OG1 3.41Å; L259-T263 VanDerWaalsContact O-OG1 3.06Å
260	N	47.5	Very low	49.4	Very low	93 Å²	93	109 Å²	109	50%	0.497	57%	0.574	S	S	.	*	H	α-helix	trans	-69.6	-33	-178.7	-78.7	-54.1	0	0	0	113.3	S256 F257 T263 S264	S256-N260 PolarHBondContact O-N 2.97Å; S256-N260 PolarHBondContact O-ND2 3.02Å; F257-N260 PolarHBondContact O-N 3.39Å; N260-T263 WeakPolarHBondContact CA-OG1 3.29Å; N260-T263 PolarHBondContact O-OG1 2.98Å; N260-T263 VanDerWaalsContact O-OG1 3.06Å; N260-S264 WeakPolarHBondContact O-CB 3.3Å; N260-S264 PolarHBondContact O-N 2.92Å; N260-S264 VanDerWaalsContact O-N 3.11Å
261	I	55.4	Low	48.6	Very low	111 Å²	111	113.5 Å²	113.5	57%	0.569	60%	0.598	S	S	*	*	H	α-helix	trans	-71.6	-41.8	176	-67.6	173.1	0	0	0	110.4	F257 S264 V265	F257-I261 WeakPolarHBondContact O-CG1 3.27Å; F257-I261 PolarHBondContact O-N 3Å; I261-S264 PolarHBondContact O-N 3Å; I261-V265 HydrophobicContact CG2-CG2 4.37Å; I261-V265 WeakPolarHBondContact O-CB 2.99Å; I261-V265 VanDerWaalsContact O-CG2 3.27Å; I261-V265 WeakPolarHBondContact O-CG2 3.35Å; I261-V265 PolarHBondContact O-N 3.05Å
262	I	54.7	Low	48.1	Very low	100 Å²	100	118.1 Å²	118.1	51%	0.513	62%	0.622	S	S	.	*	H	α-helix	trans	-65.3	-41.7	178.9	-68.5	170.7	0	0	0	111.1	Y258 L259 V265 L266	Y258-I262 WeakPolarHBondContact O-CG1 3.39Å; Y258-I262 PolarHBondContact O-N 3.11Å; L259-I262 PolarHBondContact O-N 2.92Å; I262-V265 PolarHBondContact O-N 3.37Å; I262-L266 HydrophobicContact CG2-CD1 3.72Å; I262-L266 WeakPolarHBondContact O-CB 3.39Å; I262-L266 PolarHBondContact O-N 3.45Å
263	T	53	Low	48.2	Very low	79 Å²	79	118.8 Å²	118.8	49%	0.485	62%	0.621	S	S	.	*	H	α-helix	trans	-67.2	-38.9	176.6	52	0	0	0	0	112.4	L259 N260 C267	L259-T263 WeakPolarHBondContact O-CG2 3.27Å; L259-T263 PolarHBondContact O-N 3Å; L259-T263 PolarHBondContact O-OG1 3.41Å; L259-T263 VanDerWaalsContact O-OG1 3.06Å; N260-T263 WeakPolarHBondContact CA-OG1 3.29Å; N260-T263 PolarHBondContact O-OG1 2.98Å; N260-T263 VanDerWaalsContact O-OG1 3.06Å; T263-C267 VanDerWaalsContact O-CB 3.28Å; T263-C267 WeakPolarHBondContact O-CB 3.29Å; T263-C267 PolarHBondContact O-N 2.94Å
264	S	52.2	Low	48.4	Very low	71 Å²	71	117.6 Å²	117.6	50%	0.497	62%	0.619	S	S	.	*	H	α-helix	trans	-66.4	-39.3	175.9	-174.9	0	0	0	0	112.6	N260 I261 M268	N260-S264 WeakPolarHBondContact O-CB 3.3Å; N260-S264 PolarHBondContact O-N 2.92Å; N260-S264 VanDerWaalsContact O-N 3.11Å; I261-S264 PolarHBondContact O-N 3Å; S264-M268 WeakPolarHBondContact O-CG 3.37Å; S264-M268 PolarHBondContact O-N 3.07Å
265	V	53.2	Low	48.4	Very low	74 Å²	74	117.5 Å²	117.5	45%	0.448	62%	0.619	S	S	.	*	H	α-helix	trans	-70.8	-42.7	178.9	172.7	0	0	0	0	110.7	I261 I262 C267 M268 F269	I261-V265 HydrophobicContact CG2-CG2 4.37Å; I261-V265 WeakPolarHBondContact O-CB 2.99Å; I261-V265 VanDerWaalsContact O-CG2 3.27Å; I261-V265 WeakPolarHBondContact O-CG2 3.35Å; I261-V265 PolarHBondContact O-N 3.05Å; I262-V265 PolarHBondContact O-N 3.37Å; V265-C267 PolarHBondContact O-N 3.33Å; V265-M268 PolarHBondContact O-N 3.33Å; V265-F269 HydrophobicContact CG1-CD2 3.91Å; V265-F269 HydrophobicContact CG1-CE2 3.49Å; V265-F269 VanDerWaalsContact CG1-CE2 3.49Å; V265-F269 WeakPolarHBondContact O-CD2 3.43Å; V265-F269 PolarHBondContact O-N 3.43Å
266	L	49.7	Very low	48.5	Very low	93 Å²	93	118.3 Å²	118.3	49%	0.487	62%	0.618	S	S	.	*	H	α-helix	trans	-62.9	-38.2	173.7	-84.7	156.9	0	0	0	112.5	I262 M268 F269 Y270	I262-L266 HydrophobicContact CG2-CD1 3.72Å; I262-L266 WeakPolarHBondContact O-CB 3.39Å; I262-L266 PolarHBondContact O-N 3.45Å; L266-M268 VanDerWaalsContact C-N 3.31Å; L266-M268 PolarHBondContact O-N 3.19Å; L266-F269 PolarHBondContact O-N 2.92Å; L266-Y270 HydrophobicContact CD2-CE2 4.45Å; L266-Y270 WeakPolarHBondContact O-CD2 3.45Å; L266-Y270 PolarHBondContact O-N 3.11Å
267	C	46.1	Very low	48.6	Very low	87 Å²	87	121.4 Å²	121.4	59%	0.588	63%	0.627	S	S	*	*	H	α-helix	trans	-65.7	-33.9	178.8	-149.7	0	0	0	0	112.3	T263 V265	T263-C267 VanDerWaalsContact O-CB 3.28Å; T263-C267 WeakPolarHBondContact O-CB 3.29Å; T263-C267 PolarHBondContact O-N 2.94Å; V265-C267 PolarHBondContact O-N 3.33Å
268	M	45.9	Very low	48.6	Very low	143 Å²	143	120.5 Å²	120.5	70%	0.704	63%	0.629	S	S	*	*	H	α-helix	trans	-73.6	-27.4	176.9	-68.9	-67.3	-69.4	0	0	113.5	S264 V265 L266	S264-M268 WeakPolarHBondContact O-CG 3.37Å; S264-M268 PolarHBondContact O-N 3.07Å; V265-M268 PolarHBondContact O-N 3.33Å; L266-M268 VanDerWaalsContact C-N 3.31Å; L266-M268 PolarHBondContact O-N 3.19Å
269	F	45.3	Very low	48.7	Very low	160 Å²	160	116.9 Å²	116.9	70%	0.702	63%	0.626	S	S	*	*	H	α-helix	trans	-80.4	-21.6	176.4	-75.9	-65.2	0	0	0	114	V265 L266	V265-F269 HydrophobicContact CG1-CD2 3.91Å; V265-F269 HydrophobicContact CG1-CE2 3.49Å; V265-F269 VanDerWaalsContact CG1-CE2 3.49Å; V265-F269 WeakPolarHBondContact O-CD2 3.43Å; V265-F269 PolarHBondContact O-N 3.43Å; L266-F269 PolarHBondContact O-N 2.92Å
270	Y	44.2	Very low	48.5	Very low	199 Å²	199	117.4 Å²	117.4	78%	0.78	63%	0.63	S	S	*	*	S	Bend	trans	-87.2	-6.5	179	-92.3	-84.9	0	0	0	114.1	L266	L266-Y270 HydrophobicContact CD2-CE2 4.45Å; L266-Y270 WeakPolarHBondContact O-CD2 3.45Å; L266-Y270 PolarHBondContact O-N 3.11Å
271	V	44.4	Very low	48.6	Very low	118 Å²	118	119.4 Å²	119.4	72%	0.715	64%	0.641	S	S	*	*			trans	-108.1	67.9	175.6	-172.4	0	0	0	0	109.3
272	V	39.4	Very low	48	Very low	198 Å²	198	120.2 Å²	120.2	100%	1.2	65%	0.647	S	S	*	*			trans	-145.9	0	161.2	-177.5	0	0	0	0	108.7

Retrieved 272 of 272 residues in 348.7 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).