A0A077YXC7_TRITR Loading...

Estradiol 17 beta dehydrogenase 12

AlphaFold DB , UniProt , Accession A0A077YXC7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 260 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	76.1	Confident	92	Very high	195 Å²	195	101.9 Å²	101.9	96%	0.961	56%	0.563	S	S	*	*				0	-42.5	0	-150	156.8	87.5	0	0	113	L3 V4 L5	M1-L3 PolarHBondContact O-N 3.4Å; M1-V4 PolarHBondContact O-N 3.43Å; M1-L5 HydrophobicContact CG-CD1 4.19Å; M1-L5 PolarHBondContact O-N 3.2Å
2	G	91.3	Very high	92.2	Very high	55 Å²	55	102.4 Å²	102.4	57%	0.567	56%	0.564	S	S	*	*	H	α-helix	trans	-57.5	-45.6	-177	0	0	0	0	0	116.2	V4 L5 F6	G2-V4 PolarHBondContact O-N 3.47Å; G2-L5 PolarHBondContact O-N 2.92Å; G2-F6 WeakPolarHBondContact O-CB 3.43Å; G2-F6 PolarHBondContact O-N 3.38Å
3	L	90.7	Very high	92.5	Very high	128 Å²	128	103.4 Å²	103.4	67%	0.67	57%	0.567	S	S	*	*	H	α-helix	trans	-64.1	-41	-179.4	-174.4	68.6	0	0	0	112.8	M1 F6 L7	M1-L3 PolarHBondContact O-N 3.4Å; L3-F6 PolarHBondContact O-N 2.91Å; L3-L7 HydrophobicContact CG-CD1 4.15Å; L3-L7 WeakPolarHBondContact O-CB 3.05Å; L3-L7 WeakPolarHBondContact O-CG 3.32Å; L3-L7 PolarHBondContact O-N 3.38Å
4	V	92.1	Very high	92.6	Very high	109 Å²	109	103.2 Å²	103.2	66%	0.661	56%	0.563	S	S	*	*	H	α-helix	trans	-65.5	-42.4	178.9	178	0	0	0	0	110.8	M1 G2 L7 G8	M1-V4 PolarHBondContact O-N 3.43Å; G2-V4 PolarHBondContact O-N 3.47Å; V4-L7 PolarHBondContact O-N 3.45Å; V4-G8 PolarHBondContact O-N 2.89Å
5	L	93.7	Very high	92.6	Very high	84 Å²	84	102.9 Å²	102.9	44%	0.44	56%	0.56	S	S	.	*	H	α-helix	trans	-64.7	-44.7	175.1	-71.4	172.8	0	0	0	111.5	M1 G2 L7 G8 Y9	M1-L5 HydrophobicContact CG-CD1 4.19Å; M1-L5 PolarHBondContact O-N 3.2Å; G2-L5 PolarHBondContact O-N 2.92Å; L5-L7 PolarHBondContact O-N 3.47Å; L5-G8 PolarHBondContact O-N 3.43Å; L5-Y9 HydrophobicContact CB-CD2 4.43Å; L5-Y9 HydrophobicContact CB-CE2 4.24Å; L5-Y9 WeakPolarHBondContact O-CD2 3.35Å; L5-Y9 PolarHBondContact O-N 3.18Å
6	F	94.3	Very high	92.6	Very high	145 Å²	145	100.5 Å²	100.5	64%	0.636	55%	0.553	S	S	*	*	H	α-helix	trans	-58.7	-47.2	176.2	178.1	-97.4	0	0	0	111.8	G2 L3 G8 Y9 A10	G2-F6 WeakPolarHBondContact O-CB 3.43Å; G2-F6 PolarHBondContact O-N 3.38Å; L3-F6 PolarHBondContact O-N 2.91Å; F6-G8 VanDerWaalsContact C-N 3.33Å; F6-G8 PolarHBondContact O-N 3.37Å; F6-Y9 PolarHBondContact O-N 2.91Å; F6-A10 VanDerWaalsContact O-CB 3.3Å; F6-A10 WeakPolarHBondContact O-CB 3.45Å; F6-A10 PolarHBondContact O-N 3.39Å
7	L	93.9	Very high	92.6	Very high	97 Å²	97	97.6 Å²	97.6	51%	0.508	55%	0.545	S	S	.	.	H	α-helix	trans	-61.1	-41.1	175.1	-73	170.2	0	0	0	111.6	L3 V4 L5 A10 T11	L3-L7 HydrophobicContact CG-CD1 4.15Å; L3-L7 WeakPolarHBondContact O-CB 3.05Å; L3-L7 WeakPolarHBondContact O-CG 3.32Å; L3-L7 PolarHBondContact O-N 3.38Å; V4-L7 PolarHBondContact O-N 3.45Å; L5-L7 PolarHBondContact O-N 3.47Å; L7-A10 PolarHBondContact O-N 3.46Å; L7-T11 WeakPolarHBondContact O-CG2 3.3Å; L7-T11 PolarHBondContact O-N 3.48Å; L7-T11 PolarHBondContact O-OG1 2.87Å
8	G	95.1	Very high	92.4	Very high	36 Å²	36	97.5 Å²	97.5	37%	0.371	54%	0.543	S	S	.	.	H	α-helix	trans	-64.1	-41.6	176.5	0	0	0	0	0	114	V4 L5 F6 T11 L12	V4-G8 PolarHBondContact O-N 2.89Å; L5-G8 PolarHBondContact O-N 3.43Å; F6-G8 VanDerWaalsContact C-N 3.33Å; F6-G8 PolarHBondContact O-N 3.37Å; G8-T11 WeakPolarHBondContact CA-OG1 3.48Å; G8-T11 PolarHBondContact O-OG1 3.41Å; G8-L12 WeakPolarHBondContact O-CB 3.32Å; G8-L12 PolarHBondContact O-N 2.9Å
9	Y	95.7	Very high	92.2	Very high	161 Å²	161	99.1 Å²	99.1	63%	0.631	54%	0.54	S	S	*	.	H	α-helix	trans	-71.3	-38	175.4	-71.7	-61.8	0	0	0	112.1	L5 F6 L12 L13	L5-Y9 HydrophobicContact CB-CD2 4.43Å; L5-Y9 HydrophobicContact CB-CE2 4.24Å; L5-Y9 WeakPolarHBondContact O-CD2 3.35Å; L5-Y9 PolarHBondContact O-N 3.18Å; F6-Y9 PolarHBondContact O-N 2.91Å; Y9-L12 PolarHBondContact O-N 3.03Å; Y9-L13 WeakPolarHBondContact O-CB 3.36Å; Y9-L13 PolarHBondContact O-N 2.93Å
10	A	94.8	Very high	92.1	Very high	34 Å²	34	97.4 Å²	97.4	28%	0.281	54%	0.539	S	S	.	.	H	α-helix	trans	-63.3	-45	175.8	0	0	0	0	0	111.4	F6 L7 L13 I14	F6-A10 VanDerWaalsContact O-CB 3.3Å; F6-A10 WeakPolarHBondContact O-CB 3.45Å; F6-A10 PolarHBondContact O-N 3.39Å; L7-A10 PolarHBondContact O-N 3.46Å; A10-L13 PolarHBondContact O-N 2.92Å; A10-I14 WeakPolarHBondContact O-CD1 3.49Å; A10-I14 VanDerWaalsContact O-CG1 3.24Å; A10-I14 WeakPolarHBondContact O-CG1 3.27Å; A10-I14 PolarHBondContact O-N 3.44Å
11	T	94.3	Very high	92	Very high	77 Å²	77	100 Å²	100	47%	0.472	55%	0.545	S	S	.	.	H	α-helix	trans	-64.5	-42.7	175.6	52.7	0	0	0	0	111.8	L7 G8 L13 I14 L15	L7-T11 WeakPolarHBondContact O-CG2 3.3Å; L7-T11 PolarHBondContact O-N 3.48Å; L7-T11 PolarHBondContact O-OG1 2.87Å; G8-T11 WeakPolarHBondContact CA-OG1 3.48Å; G8-T11 PolarHBondContact O-OG1 3.41Å; T11-L13 VanDerWaalsContact C-N 3.35Å; T11-L13 PolarHBondContact O-N 2.88Å; T11-I14 PolarHBondContact O-N 3.32Å; T11-L15 WeakPolarHBondContact O-CB 3.45Å; T11-L15 VanDerWaalsContact O-CG 3.27Å; T11-L15 WeakPolarHBondContact O-CG 3.32Å; T11-L15 PolarHBondContact O-N 3.04Å
12	L	95	Very high	92.4	Very high	108 Å²	108	94 Å²	94	57%	0.565	52%	0.517	S	S	*	.	H	α-helix	trans	-61.1	-42.7	176	-176	66.6	0	0	0	112	G8 Y9 L15 S16	G8-L12 WeakPolarHBondContact O-CB 3.32Å; G8-L12 PolarHBondContact O-N 2.9Å; Y9-L12 PolarHBondContact O-N 3.03Å; L12-L15 PolarHBondContact O-N 3.21Å; L12-S16 WeakPolarHBondContact O-CB 3.42Å; L12-S16 PolarHBondContact O-N 2.91Å; L12-S16 PolarHBondContact O-OG 3.34Å
13	L	95.1	Very high	92.2	Very high	115 Å²	115	96.1 Å²	96.1	60%	0.602	52%	0.515	S	S	*	.	H	α-helix	trans	-63.2	-48.3	177.5	-166.4	163.6	0	0	0	110.5	Y9 A10 T11 L15 S16 A17	Y9-L13 WeakPolarHBondContact O-CB 3.36Å; Y9-L13 PolarHBondContact O-N 2.93Å; A10-L13 PolarHBondContact O-N 2.92Å; T11-L13 VanDerWaalsContact C-N 3.35Å; T11-L13 PolarHBondContact O-N 2.88Å; L13-L15 PolarHBondContact O-N 2.73Å; L13-S16 WeakPolarHBondContact CA-OG 3.47Å; L13-S16 PolarHBondContact O-N 3.36Å; L13-S16 PolarHBondContact O-OG 3.44Å; L13-A17 WeakPolarHBondContact O-CB 3.27Å; L13-A17 PolarHBondContact O-N 3.42Å
14	I	94.3	Very high	92	Very high	101 Å²	101	91.8 Å²	91.8	52%	0.518	50%	0.5	S	S	.	.	H	α-helix	trans	-57.9	-48.5	176.7	-68.1	164.6	0	0	0	110.6	A10 T11 S16 A17 L18	A10-I14 WeakPolarHBondContact O-CD1 3.49Å; A10-I14 VanDerWaalsContact O-CG1 3.24Å; A10-I14 WeakPolarHBondContact O-CG1 3.27Å; A10-I14 PolarHBondContact O-N 3.44Å; T11-I14 PolarHBondContact O-N 3.32Å; I14-S16 VanDerWaalsContact C-N 3.34Å; I14-S16 PolarHBondContact O-N 2.92Å; I14-A17 PolarHBondContact O-N 3.29Å; I14-L18 HydrophobicContact CG2-CD1 3.96Å; I14-L18 HydrophobicContact CG2-CG 4.4Å; I14-L18 WeakPolarHBondContact O-CB 3.41Å; I14-L18 VanDerWaalsContact O-CG 3.27Å; I14-L18 WeakPolarHBondContact O-CG 3.24Å; I14-L18 PolarHBondContact O-N 2.98Å
15	L	93.1	Very high	91.6	Very high	99 Å²	99	88.9 Å²	88.9	52%	0.518	49%	0.485	S	S	.	.	H	α-helix	trans	-61.6	-41.8	178	-70.4	174.1	0	0	0	111.7	T11 L12 L13 L18 W19	T11-L15 WeakPolarHBondContact O-CB 3.45Å; T11-L15 VanDerWaalsContact O-CG 3.27Å; T11-L15 WeakPolarHBondContact O-CG 3.32Å; T11-L15 PolarHBondContact O-N 3.04Å; L12-L15 PolarHBondContact O-N 3.21Å; L13-L15 PolarHBondContact O-N 2.73Å; L15-L18 PolarHBondContact O-N 2.87Å; L15-W19 WeakPolarHBondContact O-CB 3.42Å; L15-W19 PolarHBondContact O-N 2.84Å
16	S	92	Very high	91.1	Very high	64 Å²	64	85.8 Å²	85.8	45%	0.448	47%	0.469	S	S	.	.	H	α-helix	trans	-65.5	-38.4	177.4	73.5	0	0	0	0	112.7	L12 L13 I14 W19 A20	L12-S16 WeakPolarHBondContact O-CB 3.42Å; L12-S16 PolarHBondContact O-N 2.91Å; L12-S16 PolarHBondContact O-OG 3.34Å; L13-S16 WeakPolarHBondContact CA-OG 3.47Å; L13-S16 PolarHBondContact O-N 3.36Å; L13-S16 PolarHBondContact O-OG 3.44Å; I14-S16 VanDerWaalsContact C-N 3.34Å; I14-S16 PolarHBondContact O-N 2.92Å; S16-W19 PolarHBondContact O-N 3.42Å; S16-A20 WeakPolarHBondContact O-CB 3.31Å; S16-A20 PolarHBondContact O-N 2.9Å
17	A	92.6	Very high	90.7	Very high	51 Å²	51	84.5 Å²	84.5	42%	0.421	46%	0.463	S	S	.	.	H	α-helix	trans	-69.3	-40.6	176.9	0	0	0	0	0	111.5	L13 I14 A20 F21	L13-A17 WeakPolarHBondContact O-CB 3.27Å; L13-A17 PolarHBondContact O-N 3.42Å; I14-A17 PolarHBondContact O-N 3.29Å; A17-A20 PolarHBondContact O-N 3.47Å; A17-F21 VanDerWaalsContact O-CB 3.31Å; A17-F21 WeakPolarHBondContact O-CB 3.33Å; A17-F21 PolarHBondContact O-N 3.3Å
18	L	90.1	Very high	90.2	Very high	96 Å²	96	85.1 Å²	85.1	50%	0.503	46%	0.459	S	S	.	.	H	α-helix	trans	-61.9	-45.4	172.7	-70.3	173.2	0	0	0	111.2	I14 L15 F21 L22	I14-L18 HydrophobicContact CG2-CD1 3.96Å; I14-L18 HydrophobicContact CG2-CG 4.4Å; I14-L18 WeakPolarHBondContact O-CB 3.41Å; I14-L18 VanDerWaalsContact O-CG 3.27Å; I14-L18 WeakPolarHBondContact O-CG 3.24Å; I14-L18 PolarHBondContact O-N 2.98Å; L15-L18 PolarHBondContact O-N 2.87Å; L18-F21 PolarHBondContact O-N 2.85Å; L18-L22 WeakPolarHBondContact O-CB 3.36Å; L18-L22 VanDerWaalsContact O-CG 3.25Å; L18-L22 WeakPolarHBondContact O-CG 3.42Å; L18-L22 PolarHBondContact O-N 3.44Å
19	W	88.6	Confident	89.5	Confident	128 Å²	128	84.5 Å²	84.5	49%	0.485	45%	0.447	S	S	.	.	H	α-helix	trans	-61.7	-45.3	175.3	-95.7	97	0	0	0	112.7	L15 S16 F21 L22 I23 I259	L15-W19 WeakPolarHBondContact O-CB 3.42Å; L15-W19 PolarHBondContact O-N 2.84Å; S16-W19 PolarHBondContact O-N 3.42Å; W19-F21 VanDerWaalsContact C-N 3.33Å; W19-F21 PolarHBondContact O-N 2.77Å; W19-L22 PolarHBondContact O-N 2.86Å; W19-I23 HydrophobicContact CE3-CD1 4.01Å; W19-I23 HydrophobicContact CE3-CG1 4.31Å; W19-I23 WeakPolarHBondContact O-CG1 3.41Å; W19-I23 PolarHBondContact O-N 3.44Å; W19-I259 HydrophobicContact CD2-CG2 4.45Å; W19-I259 HydrophobicContact CE3-CG2 3.87Å; W19-I259 HydrophobicContact CH2-CG2 3.51Å; W19-I259 HydrophobicContact CZ2-CG2 4.08Å; W19-I259 HydrophobicContact CZ3-CG2 3.38Å
20	A	90.1	Very high	88.8	Confident	64 Å²	64	78 Å²	78	53%	0.529	42%	0.422	S	S	.	.	H	α-helix	trans	-63	-39.6	176.7	0	0	0	0	0	111.8	S16 A17 G24	S16-A20 WeakPolarHBondContact O-CB 3.31Å; S16-A20 PolarHBondContact O-N 2.9Å; A17-A20 PolarHBondContact O-N 3.47Å; A20-G24 PolarHBondContact O-N 2.93Å
21	F	88.5	Confident	88.2	Confident	152 Å²	152	78.7 Å²	78.7	67%	0.667	42%	0.422	S	S	*	.	H	α-helix	trans	-64.4	-43.7	174.8	-179.3	-97.3	0	0	0	112	A17 L18 W19 G24 S25	A17-F21 VanDerWaalsContact O-CB 3.31Å; A17-F21 WeakPolarHBondContact O-CB 3.33Å; A17-F21 PolarHBondContact O-N 3.3Å; L18-F21 PolarHBondContact O-N 2.85Å; W19-F21 VanDerWaalsContact C-N 3.33Å; W19-F21 PolarHBondContact O-N 2.77Å; F21-G24 PolarHBondContact O-N 2.9Å; F21-S25 WeakPolarHBondContact O-CB 3.47Å; F21-S25 PolarHBondContact O-N 3.47Å; F21-S25 PolarHBondContact O-OG 2.94Å
22	L	85.6	Confident	87.6	Confident	70 Å²	70	77 Å²	77	37%	0.366	41%	0.411	S	S	.	.	H	α-helix	trans	-64.6	-44.2	177.3	-72.8	170.6	0	0	0	112.5	L18 W19 S25 I26 I259	L18-L22 WeakPolarHBondContact O-CB 3.36Å; L18-L22 VanDerWaalsContact O-CG 3.25Å; L18-L22 WeakPolarHBondContact O-CG 3.42Å; L18-L22 PolarHBondContact O-N 3.44Å; W19-L22 PolarHBondContact O-N 2.86Å; L22-S25 PolarHBondContact O-OG 2.91Å; L22-I26 WeakPolarHBondContact O-CG1 3.25Å; L22-I26 PolarHBondContact O-N 3.28Å; L22-I259 HydrophobicContact CB-CD1 3.85Å; L22-I259 HydrophobicContact CB-CG1 4.49Å; L22-I259 HydrophobicContact CD1-CG2 4.1Å
23	I	86.9	Confident	86.9	Confident	100 Å²	100	71.8 Å²	71.8	51%	0.513	38%	0.384	S	S	.	.	H	α-helix	trans	-66.3	-42.9	175.4	-66.8	168.4	0	0	0	110.3	W19 S25 I26 F27	W19-I23 HydrophobicContact CE3-CD1 4.01Å; W19-I23 HydrophobicContact CE3-CG1 4.31Å; W19-I23 WeakPolarHBondContact O-CG1 3.41Å; W19-I23 PolarHBondContact O-N 3.44Å; I23-S25 PolarHBondContact O-N 3.43Å; I23-I26 PolarHBondContact O-N 3.04Å; I23-F27 WeakPolarHBondContact O-CB 3.49Å; I23-F27 PolarHBondContact O-N 2.93Å
24	G	86.1	Confident	86	Confident	36 Å²	36	72.7 Å²	72.7	37%	0.371	38%	0.379	S	S	.	.	H	α-helix	trans	-61.6	-39.8	178.6	0	0	0	0	0	113	A20 F21 F27 Y28	A20-G24 PolarHBondContact O-N 2.93Å; F21-G24 PolarHBondContact O-N 2.9Å; G24-F27 PolarHBondContact O-N 3.33Å; G24-Y28 WeakPolarHBondContact O-CB 3.46Å; G24-Y28 PolarHBondContact O-N 2.87Å
25	S	83.1	Confident	85.2	Confident	49 Å²	49	73.9 Å²	73.9	34%	0.343	39%	0.387	S	S	.	.	H	α-helix	trans	-67.7	-41.7	178.1	66.9	0	0	0	0	112.2	F21 L22 I23 Y28 E29	F21-S25 WeakPolarHBondContact O-CB 3.47Å; F21-S25 PolarHBondContact O-N 3.47Å; F21-S25 PolarHBondContact O-OG 2.94Å; L22-S25 PolarHBondContact O-OG 2.91Å; I23-S25 PolarHBondContact O-N 3.43Å; S25-Y28 PolarHBondContact O-N 2.87Å; S25-E29 WeakPolarHBondContact O-CB 3.42Å; S25-E29 PolarHBondContact O-N 3.4Å
26	I	83.7	Confident	84.6	Confident	18 Å²	18	74.9 Å²	74.9	9%	0.092	39%	0.392	C	S	.	.	H	α-helix	trans	-61.4	-48.3	172.7	-71.9	-177.4	0	0	0	111.1	L22 I23 Y28 E29 Y30 L252 S255 I259	L22-I26 WeakPolarHBondContact O-CG1 3.25Å; L22-I26 PolarHBondContact O-N 3.28Å; I23-I26 PolarHBondContact O-N 3.04Å; I26-Y28 VanDerWaalsContact C-N 3.25Å; I26-Y28 PolarHBondContact O-N 3.27Å; I26-E29 PolarHBondContact O-N 3.39Å; I26-Y30 HydrophobicContact CG2-CD2 3.89Å; I26-Y30 HydrophobicContact CG2-CE2 4.32Å; I26-Y30 WeakPolarHBondContact O-CD2 3.34Å; I26-Y30 PolarHBondContact O-N 3.4Å; I26-L252 HydrophobicContact CG2-CD1 3.11Å; I26-S255 VanDerWaalsContact CD1-CB 3.43Å; I26-S255 WeakPolarHBondContact CD1-O 3.47Å; I26-I259 HydrophobicContact CD1-CD1 3.13Å; I26-I259 HydrophobicContact CD1-CG1 4.25Å; I26-I259 HydrophobicContact CG1-CD1 4.11Å
27	F	85.2	Confident	83.7	Confident	118 Å²	118	74.5 Å²	74.5	52%	0.518	40%	0.398	S	S	.	.	H	α-helix	trans	-60.6	-41	179.3	-174.6	-100.5	0	0	0	110.8	I23 G24 V31 V32	I23-F27 WeakPolarHBondContact O-CB 3.49Å; I23-F27 PolarHBondContact O-N 2.93Å; G24-F27 PolarHBondContact O-N 3.33Å; F27-V31 HydrophobicContact CD2-CB 4.09Å; F27-V31 HydrophobicContact CD2-CG2 3.83Å; F27-V31 HydrophobicContact CE2-CB 3.91Å; F27-V31 HydrophobicContact CE2-CG1 3.89Å; F27-V31 HydrophobicContact CE2-CG2 3.86Å; F27-V31 HydrophobicContact CG-CB 4.48Å; F27-V31 HydrophobicContact CZ-CB 4.15Å; F27-V31 HydrophobicContact CZ-CG1 3.87Å; F27-V31 WeakPolarHBondContact O-CA 3.33Å; F27-V31 WeakPolarHBondContact O-CB 3.47Å; F27-V31 PolarHBondContact O-N 3.33Å; F27-V32 HydrophobicContact CD1-CG2 3.71Å; F27-V32 HydrophobicContact CE1-CG2 3.62Å; F27-V32 PolarHBondContact O-N 3.16Å; F27-V32 VanDerWaalsContact O-N 3.16Å
28	Y	84.3	Confident	83	Confident	110 Å²	110	76.3 Å²	76.3	43%	0.431	40%	0.4	S	S	.	.	I	π-helix	trans	-60.7	-50.2	174.9	178.3	-98.4	0	0	0	112.1	G24 S25 I26 V32 A33 L38 V244	G24-Y28 WeakPolarHBondContact O-CB 3.46Å; G24-Y28 PolarHBondContact O-N 2.87Å; S25-Y28 PolarHBondContact O-N 2.87Å; I26-Y28 VanDerWaalsContact C-N 3.25Å; I26-Y28 PolarHBondContact O-N 3.27Å; Y28-V32 HydrophobicContact CD2-CB 3.82Å; Y28-V32 HydrophobicContact CD2-CG1 3.85Å; Y28-V32 HydrophobicContact CE2-CB 4.43Å; Y28-V32 HydrophobicContact CE2-CG1 4.09Å; Y28-V32 HydrophobicContact CG-CB 4.48Å; Y28-V32 PolarHBondContact O-N 2.8Å; Y28-A33 HydrophobicContact CE1-CB 4.17Å; Y28-A33 WeakPolarHBondContact O-CB 3.36Å; Y28-A33 PolarHBondContact O-N 3.18Å; Y28-L38 HydrophobicContact CE2-CD1 4.23Å; Y28-L38 WeakPolarHBondContact OH-CD1 3.22Å; Y28-V244 HydrophobicContact CD1-CG1 4.44Å; Y28-V244 HydrophobicContact CE1-CG1 4.05Å
29	E	81.1	Confident	82.3	Confident	23 Å²	23	73.4 Å²	73.4	11%	0.107	39%	0.387	C	S	.	.	I	π-helix	trans	-61.6	-49.5	-176.6	-174.7	-176.4	167.8	0	0	112.6	S25 I26 T241 V244 T245 T248	S25-E29 WeakPolarHBondContact O-CB 3.42Å; S25-E29 PolarHBondContact O-N 3.4Å; I26-E29 PolarHBondContact O-N 3.39Å; E29-T241 HydrophobicContact CG-CG2 3.82Å; E29-T241 WeakPolarHBondContact OE1-CB 3.34Å; E29-T241 WeakPolarHBondContact OE1-CG2 3.41Å; E29-V244 HydrophobicContact CG-CG1 4.34Å; E29-T245 HydrophobicContact CG-CG2 4.19Å; E29-T245 VanDerWaalsContact OE1-CG2 3.27Å; E29-T245 WeakPolarHBondContact OE1-CG2 3.49Å; E29-T248 VanDerWaalsContact OE1-CB 3.29Å; E29-T248 WeakPolarHBondContact OE1-CB 3.48Å; E29-T248 PolarHBondContact OE1-OG1 3.36Å
30	Y	81.3	Confident	81.8	Confident	26 Å²	26	69.6 Å²	69.6	10%	0.102	38%	0.377	C	S	.	.	I	π-helix	trans	-93.1	-20.6	-170.9	-65.1	-74.1	0	0	0	114.3	I26 T241 T248 L252 S255	I26-Y30 HydrophobicContact CG2-CD2 3.89Å; I26-Y30 HydrophobicContact CG2-CE2 4.32Å; I26-Y30 WeakPolarHBondContact O-CD2 3.34Å; I26-Y30 PolarHBondContact O-N 3.4Å; Y30-T241 HydrophobicContact CD1-CG2 4.5Å; Y30-T241 HydrophobicContact CE1-CG2 3.99Å; Y30-T248 PolarHBondContact OH-OG1 2.89Å; Y30-T248 VanDerWaalsContact OH-OG1 3.13Å; Y30-L252 HydrophobicContact CD1-CB 4.24Å; Y30-L252 HydrophobicContact CD2-CB 4.07Å; Y30-L252 HydrophobicContact CD2-CD1 3.9Å; Y30-L252 HydrophobicContact CG-CB 3.88Å; Y30-L252 HydrophobicContact CG-CD1 4.29Å; Y30-S255 WeakPolarHBondContact CE2-OG 3.41Å; Y30-S255 PolarHBondContact OH-OG 3.23Å
31	V	81.3	Confident	81.6	Confident	48 Å²	48	69.4 Å²	69.4	29%	0.291	37%	0.368	S	S	.	.	I	π-helix	trans	-116.5	-54.9	-175.7	-171.3	0	0	0	0	111.5	F27 N35	F27-V31 HydrophobicContact CD2-CB 4.09Å; F27-V31 HydrophobicContact CD2-CG2 3.83Å; F27-V31 HydrophobicContact CE2-CB 3.91Å; F27-V31 HydrophobicContact CE2-CG1 3.89Å; F27-V31 HydrophobicContact CE2-CG2 3.86Å; F27-V31 HydrophobicContact CG-CB 4.48Å; F27-V31 HydrophobicContact CZ-CB 4.15Å; F27-V31 HydrophobicContact CZ-CG1 3.87Å; F27-V31 WeakPolarHBondContact O-CA 3.33Å; F27-V31 WeakPolarHBondContact O-CB 3.47Å; F27-V31 PolarHBondContact O-N 3.33Å; V31-N35 WeakPolarHBondContact O-CB 3.42Å; V31-N35 PolarHBondContact O-N 3.31Å; V31-N35 PolarHBondContact O-ND2 3.35Å
32	V	81.7	Confident	81.4	Confident	40 Å²	40	62.2 Å²	62.2	24%	0.242	34%	0.336	C	S	.	.	I	π-helix	trans	-75.3	-55.1	-171.3	-177.8	0	0	0	0	111.8	F27 Y28 R34 N35 L36	F27-V32 HydrophobicContact CD1-CG2 3.71Å; F27-V32 HydrophobicContact CE1-CG2 3.62Å; F27-V32 PolarHBondContact O-N 3.16Å; F27-V32 VanDerWaalsContact O-N 3.16Å; Y28-V32 HydrophobicContact CD2-CB 3.82Å; Y28-V32 HydrophobicContact CD2-CG1 3.85Å; Y28-V32 HydrophobicContact CE2-CB 4.43Å; Y28-V32 HydrophobicContact CE2-CG1 4.09Å; Y28-V32 HydrophobicContact CG-CB 4.48Å; Y28-V32 PolarHBondContact O-N 2.8Å; V32-R34 VanDerWaalsContact C-N 3.27Å; V32-R34 PolarHBondContact O-N 2.97Å; V32-N35 PolarHBondContact O-N 2.88Å; V32-L36 HydrophobicContact CG1-CD1 3.5Å; V32-L36 HydrophobicContact CG1-CG 4.11Å; V32-L36 WeakPolarHBondContact O-CB 3.4Å; V32-L36 WeakPolarHBondContact O-CG 3.4Å; V32-L36 PolarHBondContact O-N 3.25Å
33	A	80.8	Confident	81.6	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-59	-39.8	-174	0	0	0	0	0	112.1	Y28 G37 L38 V244	Y28-A33 HydrophobicContact CE1-CB 4.17Å; Y28-A33 WeakPolarHBondContact O-CB 3.36Å; Y28-A33 PolarHBondContact O-N 3.18Å; A33-G37 PolarHBondContact O-N 3.2Å; A33-L38 HydrophobicContact CB-CB 4.31Å; A33-L38 PolarHBondContact O-N 3.25Å; A33-V244 HydrophobicContact CB-CG1 3.63Å; A33-V244 HydrophobicContact CB-CG2 3.99Å
34	R	75	Confident	81.6	Confident	133 Å²	133	66.5 Å²	66.5	50%	0.502	35%	0.345	S	S	.	.	H	α-helix	trans	-66.8	-48.7	176.8	-177.4	177.9	172.2	-162.5	-8	112.7	V32 L36 G37	V32-R34 VanDerWaalsContact C-N 3.27Å; V32-R34 PolarHBondContact O-N 2.97Å; R34-L36 VanDerWaalsContact C-N 3.32Å; R34-G37 PolarHBondContact O-N 2.92Å
35	N	77.2	Confident	81.8	Confident	127 Å²	127	65.9 Å²	65.9	68%	0.679	33%	0.333	S	S	*	.	H	α-helix	trans	-72.2	-27.9	-176.6	-73.4	-47.7	0	0	0	112.5	V31 V32 G37	V31-N35 WeakPolarHBondContact O-CB 3.42Å; V31-N35 PolarHBondContact O-N 3.31Å; V31-N35 PolarHBondContact O-ND2 3.35Å; V32-N35 PolarHBondContact O-N 2.88Å; N35-G37 VanDerWaalsContact C-N 3.33Å
36	L	81.1	Confident	82.3	Confident	120 Å²	120	63.6 Å²	63.6	63%	0.628	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	0.8	175.7	-63.6	-174.8	0	0	0	113.7	V32 R34 L38	V32-L36 HydrophobicContact CG1-CD1 3.5Å; V32-L36 HydrophobicContact CG1-CG 4.11Å; V32-L36 WeakPolarHBondContact O-CB 3.4Å; V32-L36 WeakPolarHBondContact O-CG 3.4Å; V32-L36 PolarHBondContact O-N 3.25Å; R34-L36 VanDerWaalsContact C-N 3.32Å; L36-L38 HydrophobicContact CB-CD1 4.03Å; L36-L38 HydrophobicContact CB-CG 3.88Å; L36-L38 HydrophobicContact CD1-CD1 4.19Å; L36-L38 PolarHBondContact O-N 3.31Å
37	G	74.2	Confident	82.8	Confident	56 Å²	56	68.4 Å²	68.4	58%	0.577	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	24.4	-179.3	0	0	0	0	0	114	A33 R34 N35 T39	A33-G37 PolarHBondContact O-N 3.2Å; R34-G37 PolarHBondContact O-N 2.92Å; N35-G37 VanDerWaalsContact C-N 3.33Å; G37-T39 PolarHBondContact O-N 3.08Å
38	L	76.5	Confident	83.3	Confident	88 Å²	88	64 Å²	64	46%	0.461	32%	0.32	S	S	.	.			trans	-79.2	2.1	178.5	-60.9	174.5	0	0	0	112.8	Y28 A33 L36	Y28-L38 HydrophobicContact CE2-CD1 4.23Å; Y28-L38 WeakPolarHBondContact OH-CD1 3.22Å; A33-L38 HydrophobicContact CB-CB 4.31Å; A33-L38 PolarHBondContact O-N 3.25Å; L36-L38 HydrophobicContact CB-CD1 4.03Å; L36-L38 HydrophobicContact CB-CG 3.88Å; L36-L38 HydrophobicContact CD1-CD1 4.19Å; L36-L38 PolarHBondContact O-N 3.31Å
39	T	76.2	Confident	83.9	Confident	36 Å²	36	58.8 Å²	58.8	22%	0.221	30%	0.299	C	S	.	.	S	Bend	trans	-75.8	148.3	175	62.9	0	0	0	0	110.8	G37 D41 N240 V244	G37-T39 PolarHBondContact O-N 3.08Å; T39-D41 PolarHBondContact O-N 3.27Å; T39-N240 WeakPolarHBondContact CG2-O 3.34Å; T39-V244 HydrophobicContact CG2-CG2 3.89Å
40	V	78.9	Confident	84.7	Confident	47 Å²	47	57.7 Å²	57.7	29%	0.285	29%	0.294	S	S	.	.			trans	-70.5	132.1	177.4	172.5	0	0	0	0	111	V42 L45	V40-V42 PolarHBondContact O-N 3.39Å; V40-V42 VanDerWaalsContact O-N 3.1Å; V40-L45 HydrophobicContact CG1-CD1 4.1Å; V40-L45 HydrophobicContact CG1-CD2 4.03Å; V40-L45 HydrophobicContact CG1-CG 3.98Å
41	D	84.1	Confident	85.5	Confident	60 Å²	60	56.4 Å²	56.4	32%	0.321	29%	0.289	S	S	.	.			trans	-68.1	106.3	163.5	-175.8	-9.9	0	0	0	108.1	T39 R43 K44	T39-D41 PolarHBondContact O-N 3.27Å; D41-R43 PolarHBondContact O-N 3.06Å; D41-R43 VanDerWaalsContact O-N 3.13Å; D41-R43 WeakPolarHBondContact OD1-CB 3.45Å; D41-R43 PolarHBondContact OD1-N 3.01Å; D41-R43 IonicContact OD1-NE 2.7Å; D41-R43 PolarHBondContact OD1-NE 3.31Å; D41-R43 IonicContact OD2-CZ 2.71Å; D41-R43 IonicContact OD2-NE 2.62Å; D41-R43 IonicContact OD2-NH2 2.57Å; D41-R43 PolarHBondContact OD2-NH2 2.99Å; D41-K44 HydrophobicContact CB-CD 4.24Å; D41-K44 HydrophobicContact CB-CG 4.13Å; D41-K44 WeakPolarHBondContact O-CB 3.39Å; D41-K44 PolarHBondContact O-N 2.9Å
42	V	86.1	Confident	86.2	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.006	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-60.1	-23.2	-176.5	-63.7	0	0	0	0	113.1	V40 K44 L45 R69 L71 I242	V40-V42 PolarHBondContact O-N 3.39Å; V40-V42 VanDerWaalsContact O-N 3.1Å; V42-K44 PolarHBondContact O-N 3.48Å; V42-L45 VanDerWaalsContact O-CB 3.29Å; V42-L45 WeakPolarHBondContact O-CB 3.5Å; V42-L45 PolarHBondContact O-N 3.12Å; V42-R69 HydrophobicContact CG2-CB 3.54Å; V42-R69 HydrophobicContact CG2-CG 4.22Å; V42-L71 HydrophobicContact CB-CD1 3.84Å; V42-L71 HydrophobicContact CG2-CD1 3.43Å; V42-L71 VanDerWaalsContact CG2-CD1 3.43Å; V42-L71 HydrophobicContact CG2-CG 4.25Å; V42-I242 HydrophobicContact CG1-CD1 4.47Å; V42-I242 HydrophobicContact CG1-CG2 4.49Å
43	R	88	Confident	86.7	Confident	104 Å²	104	52.9 Å²	52.9	39%	0.392	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-67.6	-26.6	174.1	-64.6	-178.9	-65	-160.7	-0.3	112.9	D41 L45 G46 R69 Y99	D41-R43 PolarHBondContact O-N 3.06Å; D41-R43 VanDerWaalsContact O-N 3.13Å; D41-R43 WeakPolarHBondContact OD1-CB 3.45Å; D41-R43 PolarHBondContact OD1-N 3.01Å; D41-R43 IonicContact OD1-NE 2.7Å; D41-R43 PolarHBondContact OD1-NE 3.31Å; D41-R43 IonicContact OD2-CZ 2.71Å; D41-R43 IonicContact OD2-NE 2.62Å; D41-R43 IonicContact OD2-NH2 2.57Å; D41-R43 PolarHBondContact OD2-NH2 2.99Å; R43-L45 PolarHBondContact O-N 3.25Å; R43-G46 PolarHBondContact O-N 3.38Å; R43-R69 VanDerWaalsContact CD-O 3.27Å; R43-R69 WeakPolarHBondContact CD-O 3.4Å; R43-R69 VanDerWaalsContact CG-O 3.26Å; R43-R69 WeakPolarHBondContact CG-O 3.2Å; R43-Y99 VanDerWaalsContact NH1-CZ 3.32Å; R43-Y99 PolarHBondContact NH1-OH 3.07Å
44	K	88.7	Confident	87.3	Confident	156 Å²	156	52.9 Å²	52.9	68%	0.678	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-69	-20.3	173.9	-64.9	-175.7	179.1	-179.8	0	111.6	D41 V42 R182	D41-K44 HydrophobicContact CB-CD 4.24Å; D41-K44 HydrophobicContact CB-CG 4.13Å; D41-K44 WeakPolarHBondContact O-CB 3.39Å; D41-K44 PolarHBondContact O-N 2.9Å; V42-K44 PolarHBondContact O-N 3.48Å; K44-R182 WeakPolarHBondContact O-CD 3.33Å; K44-R182 PolarHBondContact O-NH1 3.33Å; K44-R182 VanDerWaalsContact O-NH1 3.09Å
45	L	90.1	Very high	88	Confident	23 Å²	23	48 Å²	48	12%	0.12	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-31.8	178.7	-58.1	174.9	0	0	0	112.6	V40 V42 R43 G131 V132 R182 A184 I242	V40-L45 HydrophobicContact CG1-CD1 4.1Å; V40-L45 HydrophobicContact CG1-CD2 4.03Å; V40-L45 HydrophobicContact CG1-CG 3.98Å; V42-L45 VanDerWaalsContact O-CB 3.29Å; V42-L45 WeakPolarHBondContact O-CB 3.5Å; V42-L45 PolarHBondContact O-N 3.12Å; R43-L45 PolarHBondContact O-N 3.25Å; L45-G131 VanDerWaalsContact C-CA 3.41Å; L45-G131 WeakPolarHBondContact O-CA 3.47Å; L45-V132 HydrophobicContact CD1-CG2 4.23Å; L45-R182 WeakPolarHBondContact O-CD 3.32Å; L45-R182 WeakPolarHBondContact O-CG 3.2Å; L45-R182 PolarHBondContact O-NH1 3.32Å; L45-A184 HydrophobicContact CD1-CB 3.72Å; L45-I242 HydrophobicContact CD1-CG2 4.24Å
46	G	92.4	Very high	88.6	Confident	1 Å²	1	45 Å²	45	1%	0.01	24%	0.24	C	C	.	.			trans	166.5	174.7	179.9	0	0	0	0	0	111.2	R43 L71 D129 G131 R182	R43-G46 PolarHBondContact O-N 3.38Å; G46-L71 WeakPolarHBondContact O-CD2 3.45Å; G46-D129 VanDerWaalsContact CA-OD2 3.28Å; G46-D129 WeakPolarHBondContact CA-OD2 3.42Å; G46-G131 VanDerWaalsContact CA-CA 3.42Å; G46-R182 VanDerWaalsContact CA-NH1 3.32Å
47	E	94.3	Very high	89	Confident	119 Å²	119	40 Å²	40	56%	0.556	22%	0.216	S	C	*	.	S	Bend	trans	-85.2	-26.8	-178.6	-66	179.2	-179.7	0	0	113.4	N72 D129	E47-N72 PolarHBondContact O-N 3Å; E47-D129 HydrophobicContact CB-CB 4.27Å; E47-D129 HydrophobicContact CG-CB 4.42Å; E47-D129 PolarHBondContact N-O 3.46Å; E47-D129 PolarHBondContact N-OD2 2.96Å; E47-D129 VanDerWaalsContact N-OD2 3.15Å
48	W	97.1	Very high	89.7	Confident	26 Å²	26	37.5 Å²	37.5	10%	0.098	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	141.3	-174	-72.4	75.5	0	0	0	113	N72 I73 L74 T102 D104 I128 D129 G131 V132	W48-N72 CarbonylContact C-O 3.58Å; W48-N72 VanDerWaalsContact CA-O 3.32Å; W48-N72 WeakPolarHBondContact CA-O 3.48Å; W48-N72 HydrophobicContact CD2-CB 3.27Å; W48-N72 HydrophobicContact CE3-CB 3.54Å; W48-N72 HydrophobicContact CG-CB 3.73Å; W48-N72 HydrophobicContact CH2-CB 3.99Å; W48-N72 HydrophobicContact CZ2-CB 3.73Å; W48-N72 HydrophobicContact CZ3-CB 3.9Å; W48-N72 PolarHBondContact NE1-ND2 3.26Å; W48-I73 WeakPolarHBondContact CZ3-O 3.48Å; W48-L74 HydrophobicContact CE3-CB 4.06Å; W48-L74 HydrophobicContact CZ3-CB 4.28Å; W48-T102 HydrophobicContact CH2-CG2 3.6Å; W48-T102 HydrophobicContact CZ2-CG2 4.14Å; W48-D104 HydrophobicContact CH2-CB 4.16Å; W48-D104 HydrophobicContact CZ3-CB 4.02Å; W48-I128 HydrophobicContact CB-CB 4.26Å; W48-I128 HydrophobicContact CB-CD1 4.1Å; W48-I128 HydrophobicContact CD2-CB 3.96Å; W48-I128 HydrophobicContact CD2-CD1 4.28Å; W48-I128 HydrophobicContact CD2-CG2 3.75Å; W48-I128 HydrophobicContact CE3-CD1 4.32Å; W48-I128 HydrophobicContact CE3-CG2 4.26Å; W48-I128 HydrophobicContact CG-CB 3.73Å; W48-I128 HydrophobicContact CG-CD1 4.22Å; W48-I128 HydrophobicContact CG-CG1 4.49Å; W48-I128 HydrophobicContact CG-CG2 4.07Å; W48-I128 HydrophobicContact CH2-CG2 4.49Å; W48-I128 HydrophobicContact CZ2-CG2 4.03Å; W48-D129 PolarHBondContact N-O 3.23Å; W48-G131 PolarHBondContact O-N 3.45Å; W48-V132 PolarHBondContact O-N 2.98Å
49	A	96.6	Very high	90.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	128.4	162.4	0	0	0	0	0	110.3	L66 L71 N72 I73 L74 V132	A49-L66 HydrophobicContact CB-CB 4.13Å; A49-L66 HydrophobicContact CB-CD1 3.7Å; A49-L66 HydrophobicContact CB-CG 4.42Å; A49-L71 HydrophobicContact CB-CB 4.31Å; A49-L71 HydrophobicContact CB-CD1 4.36Å; A49-N72 PolarHBondContact N-O 3.12Å; A49-I73 HydrophobicContact CB-CD1 3.93Å; A49-I73 WeakPolarHBondContact O-CA 3.25Å; A49-L74 PolarHBondContact O-N 3.1Å; A49-V132 CarbonylContact C-O 3.52Å; A49-V132 WeakPolarHBondContact CA-O 3.46Å; A49-V132 HydrophobicContact CB-CB 4.13Å
50	V	97.9	Very high	91.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	126	172.4	-174.7	0	0	0	0	108.7	L74 L76 F125 I128 I130 V132 L133 V134	V50-L74 CarbonylContact C-O 3.57Å; V50-L74 WeakPolarHBondContact CA-O 3.14Å; V50-L74 HydrophobicContact CG1-CD2 4.2Å; V50-L74 HydrophobicContact CG1-CG 4.35Å; V50-L74 HydrophobicContact CG2-CB 4.2Å; V50-L74 HydrophobicContact CG2-CD2 4.08Å; V50-L76 HydrophobicContact CG1-CD1 3.98Å; V50-L76 HydrophobicContact CG1-CG 4.07Å; V50-F125 HydrophobicContact CB-CE1 4.43Å; V50-F125 HydrophobicContact CB-CZ 4.32Å; V50-F125 HydrophobicContact CG1-CE1 3.8Å; V50-F125 HydrophobicContact CG1-CZ 3.79Å; V50-F125 HydrophobicContact CG2-CE1 3.93Å; V50-F125 HydrophobicContact CG2-CZ 4.11Å; V50-I128 HydrophobicContact CG2-CD1 4.04Å; V50-I130 HydrophobicContact CG2-CD1 4Å; V50-I130 HydrophobicContact CG2-CG1 3.98Å; V50-I130 HydrophobicContact CG2-CG2 3.97Å; V50-V132 PolarHBondContact N-O 3.12Å; V50-L133 HydrophobicContact CB-CD1 3.91Å; V50-L133 HydrophobicContact CG1-CD1 4.02Å; V50-L133 CarbonylContact O-C 3.51Å; V50-V134 PolarHBondContact O-N 3.27Å
51	V	97.1	Very high	91.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	119.7	-178.1	-170.9	0	0	0	0	110.3	A54 G59 A63 L66 L74 L76 V134	V51-A54 HydrophobicContact CB-CB 3.84Å; V51-A54 HydrophobicContact CG1-CB 3.65Å; V51-G59 WeakPolarHBondContact CG1-O 3.45Å; V51-A63 HydrophobicContact CG2-CB 4.26Å; V51-L66 HydrophobicContact CG2-CD1 4.33Å; V51-L74 PolarHBondContact N-O 3.27Å; V51-L76 PolarHBondContact O-N 3.1Å; V51-V134 HydrophobicContact CB-CB 4.33Å; V51-V134 HydrophobicContact CG1-CB 4Å; V51-V134 HydrophobicContact CG1-CG1 4.18Å; V51-V134 HydrophobicContact CG2-CB 4.12Å; V51-V134 HydrophobicContact CG2-CG2 4.09Å
52	T	96.2	Very high	92.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	140.9	177.4	69	0	0	0	0	112	A54 L76 F110 V134 N136 V137 L169	T52-A54 VanDerWaalsContact C-N 3.31Å; T52-A54 PolarHBondContact O-N 3.39Å; T52-L76 HydrophobicContact CG2-CB 4.27Å; T52-L76 HydrophobicContact CG2-CD1 3.91Å; T52-L76 HydrophobicContact CG2-CG 4.41Å; T52-F110 HydrophobicContact CG2-CE2 4.4Å; T52-F110 HydrophobicContact CG2-CZ 4.28Å; T52-V134 PolarHBondContact N-O 2.64Å; T52-V134 PolarHBondContact OG1-O 2.83Å; T52-N136 WeakPolarHBondContact O-CB 3.28Å; T52-N136 PolarHBondContact O-ND2 3.44Å; T52-N136 PolarHBondContact OG1-N 2.88Å; T52-V137 PolarHBondContact O-N 3.28Å; T52-V137 WeakPolarHBondContact OG1-CG1 3.03Å; T52-V137 PolarHBondContact OG1-N 3.1Å; T52-L169 HydrophobicContact CG2-CD1 3.45Å; T52-L169 VanDerWaalsContact CG2-CD1 3.45Å
53	G	93.3	Very high	92.7	Very high	14 Å²	14	29.9 Å²	29.9	14%	0.144	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	38.8	-176.7	0	0	0	0	0	112.5	T55 L76 N136	G53-T55 VanDerWaalsContact C-N 3.33Å; G53-L76 PolarHBondContact N-O 3.32Å; G53-N136 PolarHBondContact O-ND2 3.03Å
54	A	91.6	Very high	93	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	8.4	-174.1	0	0	0	0	0	114.6	V51 T52 D56 K60 A63 I75	V51-A54 HydrophobicContact CB-CB 3.84Å; V51-A54 HydrophobicContact CG1-CB 3.65Å; T52-A54 VanDerWaalsContact C-N 3.31Å; T52-A54 PolarHBondContact O-N 3.39Å; A54-D56 VanDerWaalsContact C-N 3.29Å; A54-D56 PolarHBondContact O-N 3.13Å; A54-K60 WeakPolarHBondContact O-CA 3.41Å; A54-K60 VanDerWaalsContact O-CB 3.32Å; A54-K60 WeakPolarHBondContact O-CB 3.29Å; A54-A63 HydrophobicContact CB-CB 4.45Å; A54-I75 HydrophobicContact CB-CB 3.83Å; A54-I75 HydrophobicContact CB-CG2 3.45Å; A54-I75 VanDerWaalsContact CB-CG2 3.45Å
55	T	90.6	Very high	93.1	Very high	30 Å²	30	19.1 Å²	19.1	18%	0.184	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-22.9	179.7	52.1	0	0	0	0	112.8	G53 K82 L83	G53-T55 VanDerWaalsContact C-N 3.33Å; T55-K82 HydrophobicContact CG2-CB 3.94Å; T55-L83 HydrophobicContact CG2-CB 4.49Å; T55-L83 HydrophobicContact CG2-CD2 3.67Å; T55-L83 HydrophobicContact CG2-CG 3.84Å
56	D	89.1	Confident	93.2	Very high	65 Å²	65	18 Å²	18	35%	0.348	10%	0.097	S	C	.	.	S	Bend	trans	-154.8	-177.8	176	76.9	-20.6	0	0	0	113.2	A54 I58 K60 K217	A54-D56 VanDerWaalsContact C-N 3.29Å; A54-D56 PolarHBondContact O-N 3.13Å; D56-I58 PolarHBondContact O-N 3.41Å; D56-K60 PolarHBondContact O-N 2.72Å; D56-K60 VanDerWaalsContact O-N 3.12Å; D56-K217 IonicContact OD2-NZ 3.57Å; D56-K217 PolarHBondContact OD2-NZ 3.15Å
57	G	89.9	Confident	93.1	Very high	13 Å²	13	18 Å²	18	13%	0.134	10%	0.097	C	C	.	.	H	α-helix	trans	56.6	-135	170.2	0	0	0	0	0	113.8	C61	G57-C61 PolarHBondContact O-N 3.27Å; G57-C61 PolarHBondContact O-SG 3.13Å; G57-C61 VanDerWaalsContact O-SG 3.37Å
58	I	88.7	Confident	92.9	Very high	5 Å²	5	15.6 Å²	15.6	3%	0.026	8%	0.084	C	C	.	.	H	α-helix	trans	-69.3	-43.3	-175	-57.9	175.6	0	0	0	111.4	D56 K60 C61 Y62 V214 V215 P231 Y234	D56-I58 PolarHBondContact O-N 3.41Å; I58-K60 VanDerWaalsContact C-N 3.3Å; I58-K60 PolarHBondContact O-N 3.24Å; I58-C61 CarbonylContact O-C 3.47Å; I58-C61 PolarHBondContact O-N 2.85Å; I58-Y62 HydrophobicContact CG2-CD2 3.49Å; I58-Y62 VanDerWaalsContact CG2-CD2 3.49Å; I58-Y62 HydrophobicContact CG2-CE2 3.54Å; I58-Y62 WeakPolarHBondContact O-CD2 3.28Å; I58-Y62 PolarHBondContact O-N 3.14Å; I58-V214 HydrophobicContact CD1-CB 4.49Å; I58-V214 HydrophobicContact CD1-CG1 3.13Å; I58-V214 HydrophobicContact CG1-CG1 4.47Å; I58-V214 HydrophobicContact CG2-CG1 4.38Å; I58-V215 WeakPolarHBondContact CD1-O 3.34Å; I58-P231 HydrophobicContact CG1-CB 4.3Å; I58-Y234 HydrophobicContact CG2-CD1 4.17Å; I58-Y234 HydrophobicContact CG2-CE1 4.35Å
59	G	92.3	Very high	92.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-55.9	-47.1	178.6	0	0	0	0	0	111.2	V51 C61 Y62 A63 N136	V51-G59 WeakPolarHBondContact CG1-O 3.45Å; G59-C61 VanDerWaalsContact C-N 3.33Å; G59-C61 PolarHBondContact O-N 3.03Å; G59-Y62 PolarHBondContact O-N 2.63Å; G59-A63 PolarHBondContact O-N 3.16Å; G59-N136 VanDerWaalsContact CA-ND2 3.28Å; G59-N136 WeakPolarHBondContact CA-ND2 3.41Å; G59-N136 PolarHBondContact N-ND2 3.18Å; G59-N136 PolarHBondContact N-OD1 3.4Å
60	K	93.3	Very high	92.1	Very high	42 Å²	42	17.4 Å²	17.4	18%	0.183	10%	0.095	C	C	.	.	H	α-helix	trans	-59.9	-42.5	175.5	-169.8	173.3	65.6	163.7	0	112.3	A54 D56 I58 A63 I64 E89	A54-K60 WeakPolarHBondContact O-CA 3.41Å; A54-K60 VanDerWaalsContact O-CB 3.32Å; A54-K60 WeakPolarHBondContact O-CB 3.29Å; D56-K60 PolarHBondContact O-N 2.72Å; D56-K60 VanDerWaalsContact O-N 3.12Å; I58-K60 VanDerWaalsContact C-N 3.3Å; I58-K60 PolarHBondContact O-N 3.24Å; K60-A63 WeakPolarHBondContact O-CB 2.91Å; K60-A63 PolarHBondContact O-N 3.42Å; K60-I64 HydrophobicContact CG-CD1 4.09Å; K60-I64 WeakPolarHBondContact O-CG1 3.31Å; K60-I64 PolarHBondContact O-N 3.31Å; K60-E89 WeakPolarHBondContact CE-OE1 3.45Å; K60-E89 IonicContact NZ-OE1 3.95Å; K60-E89 PolarHBondContact NZ-OE1 3.13Å; K60-E89 IonicContact NZ-OE2 3.6Å; K60-E89 PolarHBondContact NZ-OE2 2.86Å
61	C	93.2	Very high	91.8	Very high	24 Å²	24	17.4 Å²	17.4	16%	0.162	10%	0.095	C	C	.	.	H	α-helix	trans	-66.8	-36.6	177.6	-67.9	0	0	0	0	113	G57 I58 G59 I64 E65 G232 A235	G57-C61 PolarHBondContact O-N 3.27Å; G57-C61 PolarHBondContact O-SG 3.13Å; G57-C61 VanDerWaalsContact O-SG 3.37Å; I58-C61 CarbonylContact O-C 3.47Å; I58-C61 PolarHBondContact O-N 2.85Å; G59-C61 VanDerWaalsContact C-N 3.33Å; G59-C61 PolarHBondContact O-N 3.03Å; C61-I64 PolarHBondContact O-N 3.45Å; C61-E65 WeakPolarHBondContact O-CB 3.44Å; C61-E65 WeakPolarHBondContact O-CG 3.27Å; C61-E65 PolarHBondContact O-N 3.25Å; C61-G232 PolarHBondContact SG-N 2.94Å; C61-G232 VanDerWaalsContact SG-N 3.44Å; C61-A235 HydrophobicContact CB-CB 3.58Å
62	Y	93.1	Very high	91.7	Very high	5 Å²	5	18.5 Å²	18.5	2%	0.02	10%	0.101	C	C	.	.	H	α-helix	trans	-61.9	-46.3	171.1	-95.5	-88	0	0	0	111.4	I58 G59 I64 E65 L66 V134 V186 I188 Y234 A235 A238 V239	I58-Y62 HydrophobicContact CG2-CD2 3.49Å; I58-Y62 VanDerWaalsContact CG2-CD2 3.49Å; I58-Y62 HydrophobicContact CG2-CE2 3.54Å; I58-Y62 WeakPolarHBondContact O-CD2 3.28Å; I58-Y62 PolarHBondContact O-N 3.14Å; G59-Y62 PolarHBondContact O-N 2.63Å; Y62-I64 VanDerWaalsContact C-N 3.32Å; Y62-I64 PolarHBondContact O-N 2.96Å; Y62-E65 PolarHBondContact O-N 3.15Å; Y62-L66 WeakPolarHBondContact O-CB 3.45Å; Y62-L66 VanDerWaalsContact O-CG 3.27Å; Y62-L66 WeakPolarHBondContact O-CG 3.05Å; Y62-L66 PolarHBondContact O-N 2.68Å; Y62-V134 HydrophobicContact CD1-CG1 4.13Å; Y62-V134 HydrophobicContact CD1-CG2 4.15Å; Y62-V134 HydrophobicContact CD2-CG1 4.49Å; Y62-V134 HydrophobicContact CG-CG1 4.08Å; Y62-V186 HydrophobicContact CE1-CG1 3.96Å; Y62-I188 HydrophobicContact CD2-CD1 4.39Å; Y62-I188 HydrophobicContact CE2-CD1 3.59Å; Y62-Y234 HydrophobicContact CE2-CD1 4.42Å; Y62-Y234 HydrophobicContact CE2-CE1 4.14Å; Y62-A235 HydrophobicContact CD2-CB 3.88Å; Y62-A235 HydrophobicContact CE2-CB 4.21Å; Y62-A235 HydrophobicContact CG-CB 4.24Å; Y62-A238 HydrophobicContact CE1-CB 4.42Å; Y62-A238 WeakPolarHBondContact OH-CB 3.42Å; Y62-V239 HydrophobicContact CD1-CG2 3.57Å; Y62-V239 HydrophobicContact CE1-CG2 3.65Å
63	A	94.1	Very high	91.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-56.4	-46.8	176.7	0	0	0	0	0	111.5	V51 A54 G59 K60 A67 I73 I75 I90	V51-A63 HydrophobicContact CG2-CB 4.26Å; A54-A63 HydrophobicContact CB-CB 4.45Å; G59-A63 PolarHBondContact O-N 3.16Å; K60-A63 WeakPolarHBondContact O-CB 2.91Å; K60-A63 PolarHBondContact O-N 3.42Å; A63-A67 WeakPolarHBondContact O-CB 3.29Å; A63-A67 PolarHBondContact O-N 3.13Å; A63-I73 HydrophobicContact CB-CG2 3.89Å; A63-I73 WeakPolarHBondContact O-CD1 3.22Å; A63-I75 HydrophobicContact CB-CG2 4.41Å; A63-I90 HydrophobicContact CB-CD1 3.66Å; A63-I90 HydrophobicContact CB-CG1 4.24Å
64	I	92.6	Very high	91.9	Very high	13 Å²	13	17.9 Å²	17.9	7%	0.067	9%	0.094	C	C	.	.	H	α-helix	trans	-63.2	-44.7	177.1	-67	164.6	0	0	0	112	K60 C61 Y62 A67 K68 I90 F93	K60-I64 HydrophobicContact CG-CD1 4.09Å; K60-I64 WeakPolarHBondContact O-CG1 3.31Å; K60-I64 PolarHBondContact O-N 3.31Å; C61-I64 PolarHBondContact O-N 3.45Å; Y62-I64 VanDerWaalsContact C-N 3.32Å; Y62-I64 PolarHBondContact O-N 2.96Å; I64-A67 WeakPolarHBondContact O-CB 3.09Å; I64-A67 PolarHBondContact O-N 3.41Å; I64-K68 HydrophobicContact CG2-CD 4.4Å; I64-K68 WeakPolarHBondContact O-CG 3.27Å; I64-K68 PolarHBondContact O-N 3.03Å; I64-I90 HydrophobicContact CG1-CG1 4.03Å; I64-F93 HydrophobicContact CD1-CD2 4.06Å; I64-F93 HydrophobicContact CD1-CE2 3.57Å; I64-F93 HydrophobicContact CD1-CZ 4.24Å; I64-F93 HydrophobicContact CG1-CD2 3.88Å; I64-F93 HydrophobicContact CG1-CE2 3.93Å; I64-F93 HydrophobicContact CG2-CD1 4.24Å; I64-F93 HydrophobicContact CG2-CD2 3.88Å; I64-F93 HydrophobicContact CG2-CE1 4.43Å; I64-F93 HydrophobicContact CG2-CE2 4.1Å; I64-F93 HydrophobicContact CG2-CG 3.97Å; I64-F93 HydrophobicContact CG2-CZ 4.36Å
65	E	91.4	Very high	92.2	Very high	21 Å²	21	17.9 Å²	17.9	10%	0.098	9%	0.094	C	C	.	.	H	α-helix	trans	-72.7	-29.7	-177.5	-70.4	-65.5	130	0	0	112.9	C61 Y62 K68 R69 A235 K236 V239	C61-E65 WeakPolarHBondContact O-CB 3.44Å; C61-E65 WeakPolarHBondContact O-CG 3.27Å; C61-E65 PolarHBondContact O-N 3.25Å; Y62-E65 PolarHBondContact O-N 3.15Å; E65-K68 IonicContact OE1-NZ 3.83Å; E65-K68 PolarHBondContact OE1-NZ 2.91Å; E65-R69 WeakPolarHBondContact O-CG 3.21Å; E65-A235 HydrophobicContact CG-CB 4.41Å; E65-K236 HydrophobicContact CG-CB 4.08Å; E65-K236 WeakPolarHBondContact OE2-CB 3.41Å; E65-K236 WeakPolarHBondContact OE2-CG 3.49Å; E65-V239 HydrophobicContact CB-CG2 4.22Å
66	L	92.3	Very high	92.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-73.2	-39.4	171.1	-68	168.4	0	0	0	111.1	A49 V51 Y62 K68 R69 L71 I73 V132 V134 V239	A49-L66 HydrophobicContact CB-CB 4.13Å; A49-L66 HydrophobicContact CB-CD1 3.7Å; A49-L66 HydrophobicContact CB-CG 4.42Å; V51-L66 HydrophobicContact CG2-CD1 4.33Å; Y62-L66 WeakPolarHBondContact O-CB 3.45Å; Y62-L66 VanDerWaalsContact O-CG 3.27Å; Y62-L66 WeakPolarHBondContact O-CG 3.05Å; Y62-L66 PolarHBondContact O-N 2.68Å; L66-K68 PolarHBondContact O-N 3.15Å; L66-R69 WeakPolarHBondContact O-CB 3.36Å; L66-R69 PolarHBondContact O-N 3.47Å; L66-L71 HydrophobicContact CB-CD1 3.94Å; L66-L71 HydrophobicContact CD2-CD1 3.73Å; L66-L71 HydrophobicContact CG-CD1 4.4Å; L66-L71 PolarHBondContact O-N 2.84Å; L66-I73 HydrophobicContact CB-CD1 3.94Å; L66-V132 HydrophobicContact CD1-CG1 4.2Å; L66-V132 HydrophobicContact CD2-CG1 4.44Å; L66-V132 HydrophobicContact CD2-CG2 4.43Å; L66-V134 HydrophobicContact CD1-CG2 3.79Å; L66-V239 HydrophobicContact CD2-CG1 3.76Å; L66-V239 HydrophobicContact CD2-CG2 4.36Å; L66-V239 HydrophobicContact CG-CG1 4.49Å; L66-V239 HydrophobicContact CG-CG2 4.43Å
67	A	91.5	Very high	92.8	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.008	7%	0.071	C	C	.	.	H	α-helix	trans	-57.3	-47.8	172.9	0	0	0	0	0	111.8	A63 I64 R69 G70 I73 I90 F94 L101	A63-A67 WeakPolarHBondContact O-CB 3.29Å; A63-A67 PolarHBondContact O-N 3.13Å; I64-A67 WeakPolarHBondContact O-CB 3.09Å; I64-A67 PolarHBondContact O-N 3.41Å; A67-R69 PolarHBondContact O-N 2.86Å; A67-G70 PolarHBondContact O-N 3.32Å; A67-I73 HydrophobicContact CB-CD1 4.19Å; A67-I73 HydrophobicContact CB-CG1 3.95Å; A67-I90 HydrophobicContact CB-CG2 4.12Å; A67-F94 HydrophobicContact CB-CD1 4.12Å; A67-F94 HydrophobicContact CB-CE1 3.34Å; A67-F94 HydrophobicContact CB-CZ 4.09Å; A67-L101 WeakPolarHBondContact O-CD1 3.5Å
68	K	88.4	Confident	93	Very high	68 Å²	68	20.6 Å²	20.6	30%	0.296	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-22	175.9	-73.8	177	-175.4	167.3	0	113.9	I64 E65 L66	I64-K68 HydrophobicContact CG2-CD 4.4Å; I64-K68 WeakPolarHBondContact O-CG 3.27Å; I64-K68 PolarHBondContact O-N 3.03Å; E65-K68 IonicContact OE1-NZ 3.83Å; E65-K68 PolarHBondContact OE1-NZ 2.91Å; L66-K68 PolarHBondContact O-N 3.15Å
69	R	87.8	Confident	93.2	Very high	52 Å²	52	23.6 Å²	23.6	20%	0.196	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	1.8	178	-67.7	176.3	-179.2	-129.1	-0.8	113.6	V42 R43 E65 L66 A67 V239 N240	V42-R69 HydrophobicContact CG2-CB 3.54Å; V42-R69 HydrophobicContact CG2-CG 4.22Å; R43-R69 VanDerWaalsContact CD-O 3.27Å; R43-R69 WeakPolarHBondContact CD-O 3.4Å; R43-R69 VanDerWaalsContact CG-O 3.26Å; R43-R69 WeakPolarHBondContact CG-O 3.2Å; E65-R69 WeakPolarHBondContact O-CG 3.21Å; L66-R69 WeakPolarHBondContact O-CB 3.36Å; L66-R69 PolarHBondContact O-N 3.47Å; A67-R69 PolarHBondContact O-N 2.86Å; R69-V239 VanDerWaalsContact CZ-CG1 3.44Å; R69-V239 VanDerWaalsContact NE-CG1 3.29Å; R69-V239 PolarHBondContact NH1-O 3.48Å; R69-N240 VanDerWaalsContact NH2-CG 3.29Å; R69-N240 PolarHBondContact NH2-OD1 2.66Å
70	G	89.8	Confident	93.2	Very high	13 Å²	13	26.1 Å²	26.1	13%	0.134	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.5	18.5	176.2	0	0	0	0	0	114.9	A67 L101	A67-G70 PolarHBondContact O-N 3.32Å; G70-L101 WeakPolarHBondContact O-CD2 3.28Å
71	L	92.4	Very high	93.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.152	C	C	.	.			trans	-95.4	137.3	174.9	-72.4	148.4	0	0	0	110.8	V42 G46 A49 L66 I73 V132	V42-L71 HydrophobicContact CB-CD1 3.84Å; V42-L71 HydrophobicContact CG2-CD1 3.43Å; V42-L71 VanDerWaalsContact CG2-CD1 3.43Å; V42-L71 HydrophobicContact CG2-CG 4.25Å; G46-L71 WeakPolarHBondContact O-CD2 3.45Å; A49-L71 HydrophobicContact CB-CB 4.31Å; A49-L71 HydrophobicContact CB-CD1 4.36Å; L66-L71 HydrophobicContact CB-CD1 3.94Å; L66-L71 HydrophobicContact CD2-CD1 3.73Å; L66-L71 HydrophobicContact CG-CD1 4.4Å; L66-L71 PolarHBondContact O-N 2.84Å; L71-I73 HydrophobicContact CB-CD1 4.43Å; L71-V132 HydrophobicContact CD1-CG2 4.35Å
72	N	95.1	Very high	93.3	Very high	23 Å²	23	35.1 Å²	35.1	12%	0.123	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	149.1	162.9	-62.1	-50.1	0	0	0	109.4	E47 W48 A49 L101 T102	E47-N72 PolarHBondContact O-N 3Å; W48-N72 CarbonylContact C-O 3.58Å; W48-N72 VanDerWaalsContact CA-O 3.32Å; W48-N72 WeakPolarHBondContact CA-O 3.48Å; W48-N72 HydrophobicContact CD2-CB 3.27Å; W48-N72 HydrophobicContact CE3-CB 3.54Å; W48-N72 HydrophobicContact CG-CB 3.73Å; W48-N72 HydrophobicContact CH2-CB 3.99Å; W48-N72 HydrophobicContact CZ2-CB 3.73Å; W48-N72 HydrophobicContact CZ3-CB 3.9Å; W48-N72 PolarHBondContact NE1-ND2 3.26Å; A49-N72 PolarHBondContact N-O 3.12Å; N72-L101 WeakPolarHBondContact OD1-CA 3.4Å; N72-T102 CarbonylContact C-O 3.6Å; N72-T102 WeakPolarHBondContact CA-O 3.32Å; N72-T102 WeakPolarHBondContact CB-O 3.27Å; N72-T102 PolarHBondContact OD1-N 2.86Å
73	I	96.2	Very high	93.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	123.9	-173.6	-53.2	-58.7	0	0	0	110.3	W48 A49 A63 L66 A67 L71 I75 I90 F94 T102 V103 D104	W48-I73 WeakPolarHBondContact CZ3-O 3.48Å; A49-I73 HydrophobicContact CB-CD1 3.93Å; A49-I73 WeakPolarHBondContact O-CA 3.25Å; A63-I73 HydrophobicContact CB-CG2 3.89Å; A63-I73 WeakPolarHBondContact O-CD1 3.22Å; L66-I73 HydrophobicContact CB-CD1 3.94Å; A67-I73 HydrophobicContact CB-CD1 4.19Å; A67-I73 HydrophobicContact CB-CG1 3.95Å; L71-I73 HydrophobicContact CB-CD1 4.43Å; I73-I75 HydrophobicContact CG2-CG2 3.6Å; I73-I90 HydrophobicContact CG1-CG2 4.21Å; I73-F94 HydrophobicContact CG1-CZ 4.48Å; I73-T102 PolarHBondContact N-O 3.13Å; I73-V103 HydrophobicContact CB-CG2 4.09Å; I73-V103 CarbonylContact O-C 3.59Å; I73-V103 VanDerWaalsContact O-CA 3.29Å; I73-V103 WeakPolarHBondContact O-CA 3.19Å; I73-D104 PolarHBondContact O-N 3.42Å
74	L	97.5	Very high	93.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	113.5	163.9	175.8	63.4	0	0	0	108.9	W48 A49 V50 V51 L76 D104 L106 K124 F125 I128	W48-L74 HydrophobicContact CE3-CB 4.06Å; W48-L74 HydrophobicContact CZ3-CB 4.28Å; A49-L74 PolarHBondContact O-N 3.1Å; V50-L74 CarbonylContact C-O 3.57Å; V50-L74 WeakPolarHBondContact CA-O 3.14Å; V50-L74 HydrophobicContact CG1-CD2 4.2Å; V50-L74 HydrophobicContact CG1-CG 4.35Å; V50-L74 HydrophobicContact CG2-CB 4.2Å; V50-L74 HydrophobicContact CG2-CD2 4.08Å; V51-L74 PolarHBondContact N-O 3.27Å; L74-L76 HydrophobicContact CD1-CD2 4.41Å; L74-L76 HydrophobicContact CD2-CD2 4.29Å; L74-L76 HydrophobicContact CG-CD2 4.09Å; L74-D104 CarbonylContact C-O 3.58Å; L74-D104 WeakPolarHBondContact CA-O 3.1Å; L74-D104 HydrophobicContact CD1-CB 4.04Å; L74-L106 HydrophobicContact CD1-CB 4.35Å; L74-K124 HydrophobicContact CD1-CG 4.42Å; L74-K124 HydrophobicContact CD2-CG 3.84Å; L74-F125 HydrophobicContact CD2-CD1 4.26Å; L74-F125 HydrophobicContact CD2-CE1 4.05Å; L74-I128 HydrophobicContact CB-CD1 4.26Å; L74-I128 HydrophobicContact CD2-CD1 3.71Å
75	I	97.4	Very high	93.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	132.3	176.2	58.5	171.5	0	0	0	111.4	A54 A63 I73 L83 A86 S87 I90 D104 A105 L106	A54-I75 HydrophobicContact CB-CB 3.83Å; A54-I75 HydrophobicContact CB-CG2 3.45Å; A54-I75 VanDerWaalsContact CB-CG2 3.45Å; A63-I75 HydrophobicContact CB-CG2 4.41Å; I73-I75 HydrophobicContact CG2-CG2 3.6Å; I75-L83 HydrophobicContact CB-CD2 4.29Å; I75-L83 HydrophobicContact CD1-CD2 3.68Å; I75-L83 HydrophobicContact CG1-CD2 3.75Å; I75-A86 HydrophobicContact CD1-CB 4.06Å; I75-S87 VanDerWaalsContact CD1-OG 3.3Å; I75-S87 WeakPolarHBondContact CD1-OG 3.35Å; I75-I90 HydrophobicContact CG2-CD1 3.87Å; I75-D104 WeakPolarHBondContact CG1-O 3.36Å; I75-D104 PolarHBondContact N-O 3.42Å; I75-A105 HydrophobicContact CD1-CB 4.19Å; I75-A105 HydrophobicContact CG1-CB 3.76Å; I75-A105 WeakPolarHBondContact O-CA 3.34Å; I75-L106 PolarHBondContact O-N 3.01Å
76	L	97.2	Very high	93.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	130.1	175	-52.9	-172.4	0	0	0	109.9	V50 V51 T52 G53 L74 L106 I108 F110 I121 L169	V50-L76 HydrophobicContact CG1-CD1 3.98Å; V50-L76 HydrophobicContact CG1-CG 4.07Å; V51-L76 PolarHBondContact O-N 3.1Å; T52-L76 HydrophobicContact CG2-CB 4.27Å; T52-L76 HydrophobicContact CG2-CD1 3.91Å; T52-L76 HydrophobicContact CG2-CG 4.41Å; G53-L76 PolarHBondContact N-O 3.32Å; L74-L76 HydrophobicContact CD1-CD2 4.41Å; L74-L76 HydrophobicContact CD2-CD2 4.29Å; L74-L76 HydrophobicContact CG-CD2 4.09Å; L76-L106 HydrophobicContact CD2-CB 3.6Å; L76-L106 HydrophobicContact CD2-CD2 3.98Å; L76-L106 HydrophobicContact CD2-CG 4.18Å; L76-I108 HydrophobicContact CB-CG2 3.88Å; L76-F110 HydrophobicContact CB-CE2 4.35Å; L76-F110 HydrophobicContact CB-CZ 4.3Å; L76-F110 HydrophobicContact CD1-CZ 4Å; L76-I121 HydrophobicContact CD1-CG2 4.49Å; L76-L169 HydrophobicContact CD1-CD1 4.27Å; L76-L169 HydrophobicContact CD1-CD2 4.37Å
77	G	94.9	Very high	93.6	Very high	5 Å²	5	44.6 Å²	44.6	5%	0.052	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	171	-177.8	0	0	0	0	0	113.7	L106 E107 I108	G77-L106 PolarHBondContact N-O 3.43Å; G77-E107 CarbonylContact O-C 3.51Å; G77-E107 VanDerWaalsContact O-CA 3.26Å; G77-E107 WeakPolarHBondContact O-CA 3.21Å; G77-I108 CarbonylContact C-O 3.58Å; G77-I108 PolarHBondContact O-N 2.99Å
78	R	92.9	Very high	93.6	Very high	161 Å²	161	48.5 Å²	48.5	61%	0.608	24%	0.239	S	C	*	.	S	Bend	trans	-91.4	-20.6	-168.8	-62.6	-174.1	-70.2	173.5	-1.2	115.6	I108 D109	R78-I108 WeakPolarHBondContact CG-O 3.1Å; R78-D109 WeakPolarHBondContact CD-OD1 3.37Å; R78-D109 HydrophobicContact CG-CB 4.25Å
79	N	92.9	Very high	93.7	Very high	67 Å²	67	48.7 Å²	48.7	36%	0.358	24%	0.241	S	C	.	.			trans	-125.7	115.9	-167	175.5	-62.7	0	0	0	108.2	E81 K82 L83	N79-E81 PolarHBondContact O-N 3.19Å; N79-E81 WeakPolarHBondContact OD1-CB 3.37Å; N79-E81 PolarHBondContact OD1-N 3.06Å; N79-E81 VanDerWaalsContact OD1-N 3.15Å; N79-K82 HydrophobicContact CB-CB 4.16Å; N79-K82 HydrophobicContact CB-CD 4.34Å; N79-K82 HydrophobicContact CB-CG 4.33Å; N79-K82 PolarHBondContact O-N 2.66Å; N79-K82 PolarHBondContact OD1-N 2.85Å; N79-L83 WeakPolarHBondContact O-CG 3.23Å; N79-L83 PolarHBondContact O-N 2.9Å
80	A	92.9	Very high	93.8	Very high	54 Å²	54	46.2 Å²	46.2	45%	0.446	23%	0.232	S	C	.	.	H	α-helix	trans	-56.5	-45.8	-176.2	0	0	0	0	0	112.7	K82 L83 E84	A80-K82 PolarHBondContact O-N 2.97Å; A80-L83 WeakPolarHBondContact O-CB 2.88Å; A80-L83 PolarHBondContact O-N 3.47Å; A80-L83 VanDerWaalsContact O-N 3.15Å; A80-E84 PolarHBondContact O-N 3.06Å
81	E	94.2	Very high	93.8	Very high	134 Å²	134	47.6 Å²	47.6	63%	0.626	24%	0.24	S	C	*	.	H	α-helix	trans	-62.9	-42.6	179.5	-174.8	-169.8	176.6	0	0	111.8	N79 L83 E84 N85	N79-E81 PolarHBondContact O-N 3.19Å; N79-E81 WeakPolarHBondContact OD1-CB 3.37Å; N79-E81 PolarHBondContact OD1-N 3.06Å; N79-E81 VanDerWaalsContact OD1-N 3.15Å; E81-L83 VanDerWaalsContact C-N 3.32Å; E81-L83 PolarHBondContact O-N 3.47Å; E81-E84 PolarHBondContact O-N 3.37Å; E81-N85 WeakPolarHBondContact O-CB 3.26Å; E81-N85 PolarHBondContact O-N 3.4Å; E81-N85 PolarHBondContact O-ND2 2.94Å
82	K	93.9	Very high	93.4	Very high	121 Å²	121	54.6 Å²	54.6	53%	0.526	27%	0.27	S	S	.	.	H	α-helix	trans	-68.9	-31.7	175.9	-72.2	-173.3	177.9	178.6	0	112.5	T55 N79 A80 A86	T55-K82 HydrophobicContact CG2-CB 3.94Å; N79-K82 HydrophobicContact CB-CB 4.16Å; N79-K82 HydrophobicContact CB-CD 4.34Å; N79-K82 HydrophobicContact CB-CG 4.33Å; N79-K82 PolarHBondContact O-N 2.66Å; N79-K82 PolarHBondContact OD1-N 2.85Å; A80-K82 PolarHBondContact O-N 2.97Å; K82-A86 VanDerWaalsContact O-CB 3.23Å; K82-A86 WeakPolarHBondContact O-CB 3.49Å; K82-A86 PolarHBondContact O-N 3.14Å
83	L	94.9	Very high	92.4	Very high	5 Å²	5	56.8 Å²	56.8	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-67	-48.1	174.1	-79.6	168.6	0	0	0	110.6	T55 I75 N79 A80 E81 A86 S87 A105 E107	T55-L83 HydrophobicContact CG2-CB 4.49Å; T55-L83 HydrophobicContact CG2-CD2 3.67Å; T55-L83 HydrophobicContact CG2-CG 3.84Å; I75-L83 HydrophobicContact CB-CD2 4.29Å; I75-L83 HydrophobicContact CD1-CD2 3.68Å; I75-L83 HydrophobicContact CG1-CD2 3.75Å; N79-L83 WeakPolarHBondContact O-CG 3.23Å; N79-L83 PolarHBondContact O-N 2.9Å; A80-L83 WeakPolarHBondContact O-CB 2.88Å; A80-L83 PolarHBondContact O-N 3.47Å; A80-L83 VanDerWaalsContact O-N 3.15Å; E81-L83 VanDerWaalsContact C-N 3.32Å; E81-L83 PolarHBondContact O-N 3.47Å; L83-A86 PolarHBondContact O-N 2.8Å; L83-S87 WeakPolarHBondContact O-CB 3.38Å; L83-S87 PolarHBondContact O-N 3.05Å; L83-S87 PolarHBondContact O-OG 3.39Å; L83-S87 VanDerWaalsContact O-OG 3.05Å; L83-A105 HydrophobicContact CB-CB 4.09Å; L83-A105 HydrophobicContact CD2-CB 4.21Å; L83-E107 HydrophobicContact CD1-CB 4.1Å; L83-E107 HydrophobicContact CD1-CG 4.47Å
84	E	94.5	Very high	91.3	Very high	126 Å²	126	57.6 Å²	57.6	59%	0.589	28%	0.282	S	S	*	.	H	α-helix	trans	-57.3	-51.8	176.7	-174.5	175.1	-161.5	0	0	111.4	A80 E81 A86 S87 D88	A80-E84 PolarHBondContact O-N 3.06Å; E81-E84 PolarHBondContact O-N 3.37Å; E84-A86 VanDerWaalsContact C-N 3.31Å; E84-A86 PolarHBondContact O-N 3.14Å; E84-S87 WeakPolarHBondContact O-CB 3.39Å; E84-S87 PolarHBondContact O-N 3.22Å; E84-S87 VanDerWaalsContact O-N 3.12Å; E84-D88 PolarHBondContact O-N 3.35Å
85	N	94.6	Very high	89.7	Confident	89 Å²	89	63 Å²	63	48%	0.476	32%	0.32	S	S	.	.	H	α-helix	trans	-58.2	-41.1	177.2	-76.6	-56	0	0	0	113	E81 E89	E81-N85 WeakPolarHBondContact O-CB 3.26Å; E81-N85 PolarHBondContact O-N 3.4Å; E81-N85 PolarHBondContact O-ND2 2.94Å; N85-E89 WeakPolarHBondContact O-CB 3.49Å; N85-E89 PolarHBondContact O-N 3.06Å
86	A	93.6	Very high	87.9	Confident	2 Å²	2	67.2 Å²	67.2	2%	0.017	35%	0.349	C	S	.	.	H	α-helix	trans	-69.8	-39	177.7	0	0	0	0	0	111.7	I75 K82 L83 E84 D88 E89 I90	I75-A86 HydrophobicContact CD1-CB 4.06Å; K82-A86 VanDerWaalsContact O-CB 3.23Å; K82-A86 WeakPolarHBondContact O-CB 3.49Å; K82-A86 PolarHBondContact O-N 3.14Å; L83-A86 PolarHBondContact O-N 2.8Å; E84-A86 VanDerWaalsContact C-N 3.31Å; E84-A86 PolarHBondContact O-N 3.14Å; A86-D88 VanDerWaalsContact C-N 3.34Å; A86-E89 PolarHBondContact O-N 3.09Å; A86-I90 WeakPolarHBondContact O-CB 3.27Å; A86-I90 WeakPolarHBondContact O-CD1 3.39Å; A86-I90 WeakPolarHBondContact O-CG1 3.37Å; A86-I90 PolarHBondContact O-N 3.38Å
87	S	93.5	Very high	86.3	Confident	16 Å²	16	71 Å²	71	11%	0.112	37%	0.366	C	S	.	.	H	α-helix	trans	-59.8	-44.8	174.8	-68.8	0	0	0	0	111.5	I75 L83 E84 I90 S91 V103	I75-S87 VanDerWaalsContact CD1-OG 3.3Å; I75-S87 WeakPolarHBondContact CD1-OG 3.35Å; L83-S87 WeakPolarHBondContact O-CB 3.38Å; L83-S87 PolarHBondContact O-N 3.05Å; L83-S87 PolarHBondContact O-OG 3.39Å; L83-S87 VanDerWaalsContact O-OG 3.05Å; E84-S87 WeakPolarHBondContact O-CB 3.39Å; E84-S87 PolarHBondContact O-N 3.22Å; E84-S87 VanDerWaalsContact O-N 3.12Å; S87-I90 PolarHBondContact O-N 3.47Å; S87-S91 WeakPolarHBondContact O-CB 3.32Å; S87-S91 PolarHBondContact O-N 2.89Å; S87-S91 PolarHBondContact O-OG 3.06Å; S87-V103 WeakPolarHBondContact OG-CG1 3.42Å
88	D	91.8	Very high	84.8	Confident	82 Å²	82	81.8 Å²	81.8	44%	0.439	41%	0.407	S	S	.	.	H	α-helix	trans	-63.8	-43.5	176.3	-75.9	-11	0	0	0	112.1	E84 A86 S91 K92	E84-D88 PolarHBondContact O-N 3.35Å; A86-D88 VanDerWaalsContact C-N 3.34Å; D88-S91 PolarHBondContact O-N 2.9Å; D88-K92 VanDerWaalsContact O-CG 3.31Å; D88-K92 WeakPolarHBondContact O-CG 3.17Å; D88-K92 PolarHBondContact O-N 3.06Å
89	E	90.4	Very high	83.5	Confident	72 Å²	72	78.6 Å²	78.6	34%	0.336	40%	0.396	S	S	.	.	H	α-helix	trans	-64.1	-45.2	178.6	-169.7	-178.5	157.2	0	0	111.6	K60 N85 A86 S91 K92 F93	K60-E89 WeakPolarHBondContact CE-OE1 3.45Å; K60-E89 IonicContact NZ-OE1 3.95Å; K60-E89 PolarHBondContact NZ-OE1 3.13Å; K60-E89 IonicContact NZ-OE2 3.6Å; K60-E89 PolarHBondContact NZ-OE2 2.86Å; N85-E89 WeakPolarHBondContact O-CB 3.49Å; N85-E89 PolarHBondContact O-N 3.06Å; A86-E89 PolarHBondContact O-N 3.09Å; E89-S91 VanDerWaalsContact C-N 3.31Å; E89-S91 PolarHBondContact O-N 2.94Å; E89-K92 PolarHBondContact O-N 3.38Å; E89-F93 HydrophobicContact CG-CE2 4.23Å; E89-F93 WeakPolarHBondContact O-CD2 3.5Å; E89-F93 WeakPolarHBondContact O-CE2 3.32Å
90	I	90.1	Very high	82.8	Confident	0 Å²	0	84.1 Å²	84.1	0%	0	42%	0.424	C	S	.	.	H	α-helix	trans	-63.3	-41.9	175.5	-64.3	159.1	0	0	0	109.7	A63 I64 A67 I73 I75 A86 S87 K92 F93 F94 V103	A63-I90 HydrophobicContact CB-CD1 3.66Å; A63-I90 HydrophobicContact CB-CG1 4.24Å; I64-I90 HydrophobicContact CG1-CG1 4.03Å; A67-I90 HydrophobicContact CB-CG2 4.12Å; I73-I90 HydrophobicContact CG1-CG2 4.21Å; I75-I90 HydrophobicContact CG2-CD1 3.87Å; A86-I90 WeakPolarHBondContact O-CB 3.27Å; A86-I90 WeakPolarHBondContact O-CD1 3.39Å; A86-I90 WeakPolarHBondContact O-CG1 3.37Å; A86-I90 PolarHBondContact O-N 3.38Å; S87-I90 PolarHBondContact O-N 3.47Å; I90-K92 VanDerWaalsContact C-N 3.31Å; I90-K92 PolarHBondContact O-N 3.48Å; I90-F93 WeakPolarHBondContact O-CB 3.49Å; I90-F93 PolarHBondContact O-N 3.36Å; I90-F93 VanDerWaalsContact O-N 3.1Å; I90-F94 HydrophobicContact CG2-CZ 4.05Å; I90-V103 HydrophobicContact CB-CG2 4.08Å; I90-V103 HydrophobicContact CG2-CG2 3.56Å
91	S	88.3	Confident	82.4	Confident	43 Å²	43	82.9 Å²	82.9	30%	0.301	41%	0.41	S	S	.	.	H	α-helix	trans	-64	-35	-178.3	-62	0	0	0	0	113.2	S87 D88 E89 F93 F94	S87-S91 WeakPolarHBondContact O-CB 3.32Å; S87-S91 PolarHBondContact O-N 2.89Å; S87-S91 PolarHBondContact O-OG 3.06Å; D88-S91 PolarHBondContact O-N 2.9Å; E89-S91 VanDerWaalsContact C-N 3.31Å; E89-S91 PolarHBondContact O-N 2.94Å; S91-F93 PolarHBondContact O-N 2.95Å; S91-F94 VanDerWaalsContact O-CB 3.26Å; S91-F94 WeakPolarHBondContact O-CB 3.16Å; S91-F94 WeakPolarHBondContact O-CD2 3.47Å; S91-F94 PolarHBondContact O-N 2.75Å
92	K	84	Confident	82.2	Confident	146 Å²	146	80.2 Å²	80.2	64%	0.635	40%	0.402	S	S	*	.	H	α-helix	trans	-60.2	-31.5	174.6	-75.2	167.1	-173.8	170.6	0	113.1	D88 E89 I90 F94	D88-K92 VanDerWaalsContact O-CG 3.31Å; D88-K92 WeakPolarHBondContact O-CG 3.17Å; D88-K92 PolarHBondContact O-N 3.06Å; E89-K92 PolarHBondContact O-N 3.38Å; I90-K92 VanDerWaalsContact C-N 3.31Å; I90-K92 PolarHBondContact O-N 3.48Å; K92-F94 PolarHBondContact O-N 3.44Å
93	F	74	Confident	82.2	Confident	69 Å²	69	75.7 Å²	75.7	30%	0.303	39%	0.385	S	S	.	.	H	α-helix	trans	-71	-19.7	176.7	-69.8	-78.1	0	0	0	112.8	I64 E89 I90 S91 C96 H97	I64-F93 HydrophobicContact CD1-CD2 4.06Å; I64-F93 HydrophobicContact CD1-CE2 3.57Å; I64-F93 HydrophobicContact CD1-CZ 4.24Å; I64-F93 HydrophobicContact CG1-CD2 3.88Å; I64-F93 HydrophobicContact CG1-CE2 3.93Å; I64-F93 HydrophobicContact CG2-CD1 4.24Å; I64-F93 HydrophobicContact CG2-CD2 3.88Å; I64-F93 HydrophobicContact CG2-CE1 4.43Å; I64-F93 HydrophobicContact CG2-CE2 4.1Å; I64-F93 HydrophobicContact CG2-CG 3.97Å; I64-F93 HydrophobicContact CG2-CZ 4.36Å; E89-F93 HydrophobicContact CG-CE2 4.23Å; E89-F93 WeakPolarHBondContact O-CD2 3.5Å; E89-F93 WeakPolarHBondContact O-CE2 3.32Å; I90-F93 WeakPolarHBondContact O-CB 3.49Å; I90-F93 PolarHBondContact O-N 3.36Å; I90-F93 VanDerWaalsContact O-N 3.1Å; S91-F93 PolarHBondContact O-N 2.95Å; F93-C96 PolarHBondContact O-N 3.03Å; F93-H97 PolarHBondContact O-CD2 2.96Å
94	F	73.3	Confident	82.2	Confident	17 Å²	17	78 Å²	78	8%	0.075	40%	0.398	C	S	.	.	H	α-helix	trans	-68	-42.7	176.7	-59.5	-41.7	0	0	0	112.9	A67 I73 I90 S91 K92 C96 H97 L101 V103	A67-F94 HydrophobicContact CB-CD1 4.12Å; A67-F94 HydrophobicContact CB-CE1 3.34Å; A67-F94 HydrophobicContact CB-CZ 4.09Å; I73-F94 HydrophobicContact CG1-CZ 4.48Å; I90-F94 HydrophobicContact CG2-CZ 4.05Å; S91-F94 VanDerWaalsContact O-CB 3.26Å; S91-F94 WeakPolarHBondContact O-CB 3.16Å; S91-F94 WeakPolarHBondContact O-CD2 3.47Å; S91-F94 PolarHBondContact O-N 2.75Å; K92-F94 PolarHBondContact O-N 3.44Å; F94-C96 PolarHBondContact O-N 3.37Å; F94-H97 PolarHBondContact O-N 3.43Å; F94-L101 HydrophobicContact CD1-CB 3.65Å; F94-L101 HydrophobicContact CD1-CD1 3.48Å; F94-L101 VanDerWaalsContact CD1-CD1 3.48Å; F94-L101 HydrophobicContact CD1-CG 4.04Å; F94-L101 HydrophobicContact CD2-CB 4.15Å; F94-L101 HydrophobicContact CE1-CB 3.37Å; F94-L101 HydrophobicContact CE1-CD1 3.32Å; F94-L101 HydrophobicContact CE1-CG 3.95Å; F94-L101 HydrophobicContact CE2-CB 3.96Å; F94-L101 HydrophobicContact CG-CB 4.02Å; F94-L101 HydrophobicContact CZ-CB 3.57Å; F94-L101 HydrophobicContact CZ-CD1 4.31Å; F94-V103 HydrophobicContact CE2-CB 4.33Å; F94-V103 HydrophobicContact CE2-CG2 3.24Å; F94-V103 HydrophobicContact CZ-CG2 3.34Å
95	S	63.9	Low	82.2	Confident	114 Å²	114	73.8 Å²	73.8	80%	0.797	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-21.8	179.5	-55.2	0	0	0	0	112.9
96	C	60.3	Low	82.3	Confident	89 Å²	89	70.1 Å²	70.1	60%	0.601	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-14.9	179.7	-59	0	0	0	0	114.5	F93 F94	F93-C96 PolarHBondContact O-N 3.03Å; F94-C96 PolarHBondContact O-N 3.37Å
97	H	64.1	Low	82.4	Confident	78 Å²	78	75 Å²	75	36%	0.361	39%	0.387	S	S	.	.	S	Bend	trans	-124	19.5	-165.3	-73.6	-63.7	0	0	0	115.2	F93 F94 Y99	F93-H97 PolarHBondContact O-CD2 2.96Å; F94-H97 PolarHBondContact O-N 3.43Å; H97-Y99 WeakPolarHBondContact O-CD2 3.28Å; H97-Y99 WeakPolarHBondContact O-CE2 3.39Å; H97-Y99 PolarHBondContact O-N 2.96Å
98	Y	62.5	Low	82.5	Confident	232 Å²	232	74.5 Å²	74.5	91%	0.91	38%	0.383	S	S	*	.	S	Bend	trans	67	-6.4	172.6	-61.4	-88.3	0	0	0	117.5
99	Y	66.9	Low	82.7	Confident	95 Å²	95	72.6 Å²	72.6	37%	0.373	37%	0.373	S	S	.	.			trans	-93.2	132.5	178.4	-57.1	-69.3	0	0	0	111.5	R43 H97 L101	R43-Y99 VanDerWaalsContact NH1-CZ 3.32Å; R43-Y99 PolarHBondContact NH1-OH 3.07Å; H97-Y99 WeakPolarHBondContact O-CD2 3.28Å; H97-Y99 WeakPolarHBondContact O-CE2 3.39Å; H97-Y99 PolarHBondContact O-N 2.96Å; Y99-L101 PolarHBondContact O-N 3.32Å
100	L	77.2	Confident	83	Confident	182 Å²	182	69.3 Å²	69.3	95%	0.953	36%	0.357	S	S	*	.			trans	-80.3	95.8	163.4	-67.2	176.1	0	0	0	108
101	L	84	Confident	83.3	Confident	29 Å²	29	69.5 Å²	69.5	15%	0.152	36%	0.359	C	S	.	.			trans	-112.8	151.7	-179	-61.2	172.8	0	0	0	110.7	A67 G70 N72 F94 Y99	A67-L101 WeakPolarHBondContact O-CD1 3.5Å; G70-L101 WeakPolarHBondContact O-CD2 3.28Å; N72-L101 WeakPolarHBondContact OD1-CA 3.4Å; F94-L101 HydrophobicContact CD1-CB 3.65Å; F94-L101 HydrophobicContact CD1-CD1 3.48Å; F94-L101 VanDerWaalsContact CD1-CD1 3.48Å; F94-L101 HydrophobicContact CD1-CG 4.04Å; F94-L101 HydrophobicContact CD2-CB 4.15Å; F94-L101 HydrophobicContact CE1-CB 3.37Å; F94-L101 HydrophobicContact CE1-CD1 3.32Å; F94-L101 HydrophobicContact CE1-CG 3.95Å; F94-L101 HydrophobicContact CE2-CB 3.96Å; F94-L101 HydrophobicContact CG-CB 4.02Å; F94-L101 HydrophobicContact CZ-CB 3.57Å; F94-L101 HydrophobicContact CZ-CD1 4.31Å; Y99-L101 PolarHBondContact O-N 3.32Å
102	T	91.2	Very high	83.7	Confident	77 Å²	77	72.1 Å²	72.1	47%	0.472	37%	0.366	S	S	.	.			trans	-101.2	131	177.4	-52.9	0	0	0	0	109.3	W48 N72 I73	W48-T102 HydrophobicContact CH2-CG2 3.6Å; W48-T102 HydrophobicContact CZ2-CG2 4.14Å; N72-T102 CarbonylContact C-O 3.6Å; N72-T102 WeakPolarHBondContact CA-O 3.32Å; N72-T102 WeakPolarHBondContact CB-O 3.27Å; N72-T102 PolarHBondContact OD1-N 2.86Å; I73-T102 PolarHBondContact N-O 3.13Å
103	V	92.7	Very high	84.2	Confident	27 Å²	27	66.2 Å²	66.2	16%	0.164	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	130.4	161.3	176.7	0	0	0	0	108.3	I73 S87 I90 F94	I73-V103 HydrophobicContact CB-CG2 4.09Å; I73-V103 CarbonylContact O-C 3.59Å; I73-V103 VanDerWaalsContact O-CA 3.29Å; I73-V103 WeakPolarHBondContact O-CA 3.19Å; S87-V103 WeakPolarHBondContact OG-CG1 3.42Å; I90-V103 HydrophobicContact CB-CG2 4.08Å; I90-V103 HydrophobicContact CG2-CG2 3.56Å; F94-V103 HydrophobicContact CE2-CB 4.33Å; F94-V103 HydrophobicContact CE2-CG2 3.24Å; F94-V103 HydrophobicContact CZ-CG2 3.34Å
104	D	94.7	Very high	85.2	Confident	54 Å²	54	66.4 Å²	66.4	29%	0.289	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	154.1	172.5	-163.3	2.5	0	0	0	109.9	W48 I73 L74 I75 K124	W48-D104 HydrophobicContact CH2-CB 4.16Å; W48-D104 HydrophobicContact CZ3-CB 4.02Å; I73-D104 PolarHBondContact O-N 3.42Å; L74-D104 CarbonylContact C-O 3.58Å; L74-D104 WeakPolarHBondContact CA-O 3.1Å; L74-D104 HydrophobicContact CD1-CB 4.04Å; I75-D104 WeakPolarHBondContact CG1-O 3.36Å; I75-D104 PolarHBondContact N-O 3.42Å; D104-K124 WeakPolarHBondContact OD2-CE 3.03Å; D104-K124 IonicContact OD2-NZ 3.98Å; D104-K124 PolarHBondContact OD2-NZ 3.47Å
105	A	95.5	Very high	86.3	Confident	36 Å²	36	71.1 Å²	71.1	30%	0.298	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	134.9	-176.5	0	0	0	0	0	110.6	I75 L83	I75-A105 HydrophobicContact CD1-CB 4.19Å; I75-A105 HydrophobicContact CG1-CB 3.76Å; I75-A105 WeakPolarHBondContact O-CA 3.34Å; L83-A105 HydrophobicContact CB-CB 4.09Å; L83-A105 HydrophobicContact CD2-CB 4.21Å
106	L	95.8	Very high	87.8	Confident	13 Å²	13	70.8 Å²	70.8	7%	0.068	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	118.4	173.3	177.1	67.7	0	0	0	109.7	L74 I75 L76 G77 I108 R120 I121 K124	L74-L106 HydrophobicContact CD1-CB 4.35Å; I75-L106 PolarHBondContact O-N 3.01Å; L76-L106 HydrophobicContact CD2-CB 3.6Å; L76-L106 HydrophobicContact CD2-CD2 3.98Å; L76-L106 HydrophobicContact CD2-CG 4.18Å; G77-L106 PolarHBondContact N-O 3.43Å; L106-I108 PolarHBondContact O-N 2.99Å; L106-R120 HydrophobicContact CD1-CG 4.37Å; L106-I121 HydrophobicContact CD2-CB 4.32Å; L106-I121 HydrophobicContact CD2-CG1 3.7Å; L106-K124 HydrophobicContact CD2-CB 4.3Å; L106-K124 HydrophobicContact CD2-CG 4.49Å
107	E	96.1	Very high	89.6	Confident	103 Å²	103	70.3 Å²	70.3	48%	0.481	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	123	175.6	-168.7	-173.4	155.6	0	0	110.8	G77 L83	G77-E107 CarbonylContact O-C 3.51Å; G77-E107 VanDerWaalsContact O-CA 3.26Å; G77-E107 WeakPolarHBondContact O-CA 3.21Å; L83-E107 HydrophobicContact CD1-CB 4.1Å; L83-E107 HydrophobicContact CD1-CG 4.47Å
108	I	96.1	Very high	91.1	Very high	6 Å²	6	67.5 Å²	67.5	3%	0.031	34%	0.338	C	S	.	.			trans	-151	128.4	179.1	-177.7	79	0	0	0	110.2	L76 G77 R78 L106 F110 A113 K117 I121	L76-I108 HydrophobicContact CB-CG2 3.88Å; G77-I108 CarbonylContact C-O 3.58Å; G77-I108 PolarHBondContact O-N 2.99Å; R78-I108 WeakPolarHBondContact CG-O 3.1Å; L106-I108 PolarHBondContact O-N 2.99Å; I108-F110 HydrophobicContact CB-CZ 4.49Å; I108-F110 HydrophobicContact CG1-CD1 3.93Å; I108-F110 HydrophobicContact CG1-CE1 3.81Å; I108-F110 HydrophobicContact CG1-CE2 4.48Å; I108-F110 HydrophobicContact CG1-CG 4.33Å; I108-F110 HydrophobicContact CG1-CZ 4.1Å; I108-F110 HydrophobicContact CG2-CD2 4.23Å; I108-F110 HydrophobicContact CG2-CE1 4.13Å; I108-F110 HydrophobicContact CG2-CE2 3.58Å; I108-F110 HydrophobicContact CG2-CZ 3.52Å; I108-A113 HydrophobicContact CD1-CB 4.25Å; I108-K117 HydrophobicContact CD1-CB 3.58Å; I108-K117 HydrophobicContact CD1-CD 4.12Å; I108-K117 HydrophobicContact CD1-CG 4.02Å; I108-I121 HydrophobicContact CB-CD1 4.49Å; I108-I121 HydrophobicContact CD1-CD1 3.79Å; I108-I121 HydrophobicContact CG1-CD1 3.89Å
109	D	96.2	Very high	92.8	Very high	42 Å²	42	61.4 Å²	61.4	23%	0.225	32%	0.316	C	S	.	.			trans	-98.7	104.3	163.7	-175.1	21.9	0	0	0	111.1	R78 A111 H112 A113	R78-D109 WeakPolarHBondContact CD-OD1 3.37Å; R78-D109 HydrophobicContact CG-CB 4.25Å; D109-A111 VanDerWaalsContact C-N 3.28Å; D109-A111 PolarHBondContact O-N 2.94Å; D109-A111 PolarHBondContact OD1-N 3.34Å; D109-H112 CarbonylContact O-C 3.41Å; D109-H112 PolarHBondContact O-N 3.2Å; D109-H112 IonicContact OD2-CE1 3.8Å; D109-H112 IonicContact OD2-CG 2.83Å; D109-H112 IonicContact OD2-ND1 2.64Å; D109-H112 PolarHBondContact OD2-ND1 3.35Å; D109-A113 WeakPolarHBondContact O-CA 3.5Å; D109-A113 WeakPolarHBondContact O-CB 3.25Å; D109-A113 PolarHBondContact O-N 3.36Å; D109-A113 VanDerWaalsContact O-N 3.08Å
110	F	96.3	Very high	94.2	Very high	3 Å²	3	64.1 Å²	64.1	1%	0.013	33%	0.325	C	S	.	.	S	Bend	trans	-69.4	-23	-179.2	-68.2	-67.3	0	0	0	113.5	T52 L76 I108 H112 Y118 I121 V137 N160 V161 L169	T52-F110 HydrophobicContact CG2-CE2 4.4Å; T52-F110 HydrophobicContact CG2-CZ 4.28Å; L76-F110 HydrophobicContact CB-CE2 4.35Å; L76-F110 HydrophobicContact CB-CZ 4.3Å; L76-F110 HydrophobicContact CD1-CZ 4Å; I108-F110 HydrophobicContact CB-CZ 4.49Å; I108-F110 HydrophobicContact CG1-CD1 3.93Å; I108-F110 HydrophobicContact CG1-CE1 3.81Å; I108-F110 HydrophobicContact CG1-CE2 4.48Å; I108-F110 HydrophobicContact CG1-CG 4.33Å; I108-F110 HydrophobicContact CG1-CZ 4.1Å; I108-F110 HydrophobicContact CG2-CD2 4.23Å; I108-F110 HydrophobicContact CG2-CE1 4.13Å; I108-F110 HydrophobicContact CG2-CE2 3.58Å; I108-F110 HydrophobicContact CG2-CZ 3.52Å; F110-H112 VanDerWaalsContact C-N 3.27Å; F110-H112 PolarHBondContact O-N 3.13Å; F110-Y118 HydrophobicContact CD1-CE1 4.27Å; F110-Y118 HydrophobicContact CE1-CE1 4.32Å; F110-I121 HydrophobicContact CE1-CD1 4.04Å; F110-V137 HydrophobicContact CD2-CB 4.42Å; F110-V137 HydrophobicContact CD2-CG1 3.89Å; F110-V137 HydrophobicContact CD2-CG2 4.11Å; F110-V137 HydrophobicContact CE2-CG1 4.07Å; F110-N160 WeakPolarHBondContact O-CB 3.47Å; F110-V161 HydrophobicContact CB-CG2 4.14Å; F110-L169 HydrophobicContact CE1-CD1 3.96Å; F110-L169 HydrophobicContact CE1-CG 4.47Å; F110-L169 HydrophobicContact CZ-CD1 3.82Å
111	A	96.1	Very high	95.2	Very high	4 Å²	4	55.5 Å²	55.5	3%	0.033	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-40.8	175.7	0	0	0	0	0	110.8	D109 D157 N160 V161	D109-A111 VanDerWaalsContact C-N 3.28Å; D109-A111 PolarHBondContact O-N 2.94Å; D109-A111 PolarHBondContact OD1-N 3.34Å; A111-D157 HydrophobicContact CB-CB 4.07Å; A111-N160 PolarHBondContact O-ND2 2.95Å; A111-V161 HydrophobicContact CB-CG2 3.83Å
112	H	96.1	Very high	95.8	Very high	98 Å²	98	57 Å²	57	45%	0.454	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.8	34.8	-177	-51.2	99	0	0	0	112.1	D109 F110 D114 K117 D157	D109-H112 CarbonylContact O-C 3.41Å; D109-H112 PolarHBondContact O-N 3.2Å; D109-H112 IonicContact OD2-CE1 3.8Å; D109-H112 IonicContact OD2-CG 2.83Å; D109-H112 IonicContact OD2-ND1 2.64Å; D109-H112 PolarHBondContact OD2-ND1 3.35Å; F110-H112 VanDerWaalsContact C-N 3.27Å; F110-H112 PolarHBondContact O-N 3.13Å; H112-D114 PolarHBondContact O-N 3.09Å; H112-K117 PolarHBondContact O-NZ 3.4Å; H112-D157 IonicContact CE1-OD1 2.81Å; H112-D157 IonicContact CE1-OD2 3.71Å; H112-D157 IonicContact NE2-OD1 3.84Å
113	A	95.5	Very high	96.1	Very high	22 Å²	22	58.3 Å²	58.3	18%	0.182	29%	0.287	C	S	.	.			trans	-81.5	115.1	179.7	0	0	0	0	0	111	I108 D109 K117 Y118	I108-A113 HydrophobicContact CD1-CB 4.25Å; D109-A113 WeakPolarHBondContact O-CA 3.5Å; D109-A113 WeakPolarHBondContact O-CB 3.25Å; D109-A113 PolarHBondContact O-N 3.36Å; D109-A113 VanDerWaalsContact O-N 3.08Å; A113-K117 HydrophobicContact CB-CB 4.34Å; A113-K117 HydrophobicContact CB-CD 4.33Å; A113-Y118 HydrophobicContact CB-CD2 4.2Å; A113-Y118 HydrophobicContact CB-CE2 3.55Å
114	D	94.9	Very high	96.3	Very high	73 Å²	73	59.5 Å²	59.5	39%	0.39	29%	0.29	S	S	.	.			trans	-88.1	177.9	171.6	76.5	-22.5	0	0	0	111.4	H112 N116 K117 Y118	H112-D114 PolarHBondContact O-N 3.09Å; D114-N116 PolarHBondContact O-N 3.22Å; D114-N116 PolarHBondContact OD1-N 2.82Å; D114-N116 PolarHBondContact OD2-ND2 2.84Å; D114-K117 PolarHBondContact O-N 2.91Å; D114-K117 WeakPolarHBondContact OD1-CB 3.48Å; D114-K117 WeakPolarHBondContact OD1-CG 3.06Å; D114-K117 PolarHBondContact OD1-N 2.77Å; D114-Y118 VanDerWaalsContact O-CD2 3.24Å; D114-Y118 WeakPolarHBondContact O-CD2 3.45Å; D114-Y118 PolarHBondContact O-N 3.47Å; D114-Y118 VanDerWaalsContact O-N 3.14Å
115	L	95.5	Very high	96.4	Very high	116 Å²	116	57.2 Å²	57.2	61%	0.607	28%	0.278	S	S	*	.	H	α-helix	trans	-58.4	-34.7	178.8	-177.6	62	0	0	0	112.7	Y118 K119	L115-Y118 PolarHBondContact O-N 2.82Å; L115-K119 HydrophobicContact CG-CD 4.43Å; L115-K119 WeakPolarHBondContact O-CG 3.33Å; L115-K119 PolarHBondContact O-N 3.49Å
116	N	97.1	Very high	96.4	Very high	107 Å²	107	61.4 Å²	61.4	57%	0.572	29%	0.289	S	S	*	.	H	α-helix	trans	-68.5	-41.8	-179.4	-61.5	-50.5	0	0	0	111.7	D114 Y118 K119 R120	D114-N116 PolarHBondContact O-N 3.22Å; D114-N116 PolarHBondContact OD1-N 2.82Å; D114-N116 PolarHBondContact OD2-ND2 2.84Å; N116-Y118 VanDerWaalsContact C-N 3.32Å; N116-Y118 PolarHBondContact O-N 2.92Å; N116-K119 PolarHBondContact O-N 3.06Å; N116-R120 PolarHBondContact O-N 3.45Å
117	K	96.4	Very high	96.5	Very high	80 Å²	80	65.5 Å²	65.5	35%	0.348	32%	0.315	S	S	.	.	H	α-helix	trans	-59.6	-42	172.7	-81.4	174	178.9	178.2	0	111.9	I108 H112 A113 D114 R120 I121	I108-K117 HydrophobicContact CD1-CB 3.58Å; I108-K117 HydrophobicContact CD1-CD 4.12Å; I108-K117 HydrophobicContact CD1-CG 4.02Å; H112-K117 PolarHBondContact O-NZ 3.4Å; A113-K117 HydrophobicContact CB-CB 4.34Å; A113-K117 HydrophobicContact CB-CD 4.33Å; D114-K117 PolarHBondContact O-N 2.91Å; D114-K117 WeakPolarHBondContact OD1-CB 3.48Å; D114-K117 WeakPolarHBondContact OD1-CG 3.06Å; D114-K117 PolarHBondContact OD1-N 2.77Å; K117-R120 WeakPolarHBondContact O-CB 3.31Å; K117-R120 PolarHBondContact O-N 2.85Å; K117-I121 WeakPolarHBondContact O-CG1 3.36Å; K117-I121 PolarHBondContact O-N 2.89Å
118	Y	97.3	Very high	96.5	Very high	19 Å²	19	61.1 Å²	61.1	8%	0.075	30%	0.295	C	S	.	.	H	α-helix	trans	-67.1	-40.1	174.6	-77.1	-64	0	0	0	113.2	F110 A113 D114 L115 N116 R120 I121 E122 V168 M172	F110-Y118 HydrophobicContact CD1-CE1 4.27Å; F110-Y118 HydrophobicContact CE1-CE1 4.32Å; A113-Y118 HydrophobicContact CB-CD2 4.2Å; A113-Y118 HydrophobicContact CB-CE2 3.55Å; D114-Y118 VanDerWaalsContact O-CD2 3.24Å; D114-Y118 WeakPolarHBondContact O-CD2 3.45Å; D114-Y118 PolarHBondContact O-N 3.47Å; D114-Y118 VanDerWaalsContact O-N 3.14Å; L115-Y118 PolarHBondContact O-N 2.82Å; N116-Y118 VanDerWaalsContact C-N 3.32Å; N116-Y118 PolarHBondContact O-N 2.92Å; Y118-R120 VanDerWaalsContact C-N 3.31Å; Y118-R120 PolarHBondContact O-N 2.87Å; Y118-I121 HydrophobicContact CD1-CD1 4.13Å; Y118-I121 WeakPolarHBondContact O-CB 3.34Å; Y118-I121 PolarHBondContact O-N 2.65Å; Y118-I121 VanDerWaalsContact O-N 3.14Å; Y118-E122 PolarHBondContact O-N 3.27Å; Y118-V168 HydrophobicContact CD1-CB 4.16Å; Y118-V168 HydrophobicContact CD1-CG1 3.42Å; Y118-V168 VanDerWaalsContact CD1-CG1 3.42Å; Y118-V168 HydrophobicContact CE1-CB 3.97Å; Y118-V168 HydrophobicContact CE1-CG1 3.77Å; Y118-V168 HydrophobicContact CG-CG1 3.91Å; Y118-M172 HydrophobicContact CD1-CE 4.36Å; Y118-M172 WeakPolarHBondContact O-CE 3.45Å
119	K	96.9	Very high	96.5	Very high	104 Å²	104	62 Å²	62	45%	0.452	30%	0.299	S	S	.	.	H	α-helix	trans	-59.7	-40.2	172.7	-76	176.3	176.9	179.5	0	112	L115 N116 I121 E122 E123	L115-K119 HydrophobicContact CG-CD 4.43Å; L115-K119 WeakPolarHBondContact O-CG 3.33Å; L115-K119 PolarHBondContact O-N 3.49Å; N116-K119 PolarHBondContact O-N 3.06Å; K119-I121 VanDerWaalsContact C-N 3.28Å; K119-I121 PolarHBondContact O-N 3.47Å; K119-E122 WeakPolarHBondContact O-CB 3.29Å; K119-E122 PolarHBondContact O-N 2.85Å; K119-E123 WeakPolarHBondContact O-CG 3.19Å; K119-E123 PolarHBondContact O-N 3.36Å
120	R	97.1	Very high	96.5	Very high	152 Å²	152	60 Å²	60	57%	0.574	29%	0.289	S	S	*	.	H	α-helix	trans	-59.6	-39.6	175	-176.4	-178.7	176.7	-162.1	-2.3	112	L106 N116 K117 Y118 K124	L106-R120 HydrophobicContact CD1-CG 4.37Å; N116-R120 PolarHBondContact O-N 3.45Å; K117-R120 WeakPolarHBondContact O-CB 3.31Å; K117-R120 PolarHBondContact O-N 2.85Å; Y118-R120 VanDerWaalsContact C-N 3.31Å; Y118-R120 PolarHBondContact O-N 2.87Å; R120-K124 PolarHBondContact O-N 3.23Å; R120-K124 VanDerWaalsContact O-N 3.13Å
121	I	97.4	Very high	96.3	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-66.9	-44.5	174.9	-62.8	160.2	0	0	0	110.6	L76 L106 I108 F110 K117 Y118 K119 E123 K124 F125 L169 M172	L76-I121 HydrophobicContact CD1-CG2 4.49Å; L106-I121 HydrophobicContact CD2-CB 4.32Å; L106-I121 HydrophobicContact CD2-CG1 3.7Å; I108-I121 HydrophobicContact CB-CD1 4.49Å; I108-I121 HydrophobicContact CD1-CD1 3.79Å; I108-I121 HydrophobicContact CG1-CD1 3.89Å; F110-I121 HydrophobicContact CE1-CD1 4.04Å; K117-I121 WeakPolarHBondContact O-CG1 3.36Å; K117-I121 PolarHBondContact O-N 2.89Å; Y118-I121 HydrophobicContact CD1-CD1 4.13Å; Y118-I121 WeakPolarHBondContact O-CB 3.34Å; Y118-I121 PolarHBondContact O-N 2.65Å; Y118-I121 VanDerWaalsContact O-N 3.14Å; K119-I121 VanDerWaalsContact C-N 3.28Å; K119-I121 PolarHBondContact O-N 3.47Å; I121-E123 PolarHBondContact O-N 3.43Å; I121-K124 CarbonylContact O-C 3.38Å; I121-K124 WeakPolarHBondContact O-CA 3.38Å; I121-K124 WeakPolarHBondContact O-CB 3.16Å; I121-K124 PolarHBondContact O-N 2.84Å; I121-K124 VanDerWaalsContact O-N 3.09Å; I121-F125 HydrophobicContact CG2-CD1 3.82Å; I121-F125 HydrophobicContact CG2-CE1 3.51Å; I121-F125 HydrophobicContact CG2-CE2 4.44Å; I121-F125 HydrophobicContact CG2-CG 4.41Å; I121-F125 HydrophobicContact CG2-CZ 3.86Å; I121-F125 WeakPolarHBondContact O-CD1 3.18Å; I121-F125 PolarHBondContact O-N 3.06Å; I121-L169 HydrophobicContact CD1-CD2 4.25Å; I121-L169 HydrophobicContact CG2-CD2 3.62Å; I121-M172 HydrophobicContact CG2-SD 4.28Å
122	E	96.7	Very high	96.2	Very high	61 Å²	61	59.7 Å²	59.7	29%	0.285	29%	0.287	S	S	.	.	H	α-helix	trans	-60.4	-44.3	178.8	-170	174.4	-149.9	0	0	112.1	Y118 K119 K124 F125 K126 M172	Y118-E122 PolarHBondContact O-N 3.27Å; K119-E122 WeakPolarHBondContact O-CB 3.29Å; K119-E122 PolarHBondContact O-N 2.85Å; E122-K124 VanDerWaalsContact C-N 3.28Å; E122-K124 PolarHBondContact O-N 3.04Å; E122-F125 WeakPolarHBondContact O-CB 3.22Å; E122-F125 PolarHBondContact O-N 3.11Å; E122-F125 VanDerWaalsContact O-N 3.15Å; E122-K126 WeakPolarHBondContact O-CG 3.28Å; E122-K126 PolarHBondContact O-N 2.9Å; E122-M172 HydrophobicContact CB-CE 3.93Å; E122-M172 HydrophobicContact CB-CG 4.45Å; E122-M172 HydrophobicContact CB-SD 4Å; E122-M172 HydrophobicContact CG-CG 4.36Å
123	E	97.5	Very high	96.1	Very high	104 Å²	104	55 Å²	55	49%	0.486	27%	0.265	S	S	.	.	H	α-helix	trans	-60	-40.7	173.5	-68.8	-49.5	130.8	0	0	111.2	K119 I121 F125 K126 T127	K119-E123 WeakPolarHBondContact O-CG 3.19Å; K119-E123 PolarHBondContact O-N 3.36Å; I121-E123 PolarHBondContact O-N 3.43Å; E123-F125 PolarHBondContact O-N 3.37Å; E123-K126 PolarHBondContact O-N 3.37Å; E123-K126 IonicContact OE1-NZ 2.65Å; E123-K126 PolarHBondContact OE1-NZ 3.26Å; E123-K126 IonicContact OE2-NZ 3.06Å; E123-T127 WeakPolarHBondContact O-CG2 3.49Å
124	K	97.3	Very high	96.1	Very high	52 Å²	52	54 Å²	54	23%	0.226	26%	0.256	C	S	.	.	H	α-helix	trans	-63.5	-42.4	174.7	-174.7	57.2	178.5	174.8	0	111.8	L74 D104 L106 R120 I121 E122 K126 T127	L74-K124 HydrophobicContact CD1-CG 4.42Å; L74-K124 HydrophobicContact CD2-CG 3.84Å; D104-K124 WeakPolarHBondContact OD2-CE 3.03Å; D104-K124 IonicContact OD2-NZ 3.98Å; D104-K124 PolarHBondContact OD2-NZ 3.47Å; L106-K124 HydrophobicContact CD2-CB 4.3Å; L106-K124 HydrophobicContact CD2-CG 4.49Å; R120-K124 PolarHBondContact O-N 3.23Å; R120-K124 VanDerWaalsContact O-N 3.13Å; I121-K124 CarbonylContact O-C 3.38Å; I121-K124 WeakPolarHBondContact O-CA 3.38Å; I121-K124 WeakPolarHBondContact O-CB 3.16Å; I121-K124 PolarHBondContact O-N 2.84Å; I121-K124 VanDerWaalsContact O-N 3.09Å; E122-K124 VanDerWaalsContact C-N 3.28Å; E122-K124 PolarHBondContact O-N 3.04Å; K124-K126 VanDerWaalsContact C-N 3.27Å; K124-K126 PolarHBondContact O-N 3.3Å; K124-T127 PolarHBondContact O-N 3.39Å; K124-T127 PolarHBondContact O-OG1 2.95Å
125	F	96.9	Very high	96	Very high	6 Å²	6	50.6 Å²	50.6	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-62.6	-33.9	178.5	-81.3	23.2	0	0	0	112	V50 L74 I121 E122 E123 T127 I128 I130 L169 M172 A173 Q176	V50-F125 HydrophobicContact CB-CE1 4.43Å; V50-F125 HydrophobicContact CB-CZ 4.32Å; V50-F125 HydrophobicContact CG1-CE1 3.8Å; V50-F125 HydrophobicContact CG1-CZ 3.79Å; V50-F125 HydrophobicContact CG2-CE1 3.93Å; V50-F125 HydrophobicContact CG2-CZ 4.11Å; L74-F125 HydrophobicContact CD2-CD1 4.26Å; L74-F125 HydrophobicContact CD2-CE1 4.05Å; I121-F125 HydrophobicContact CG2-CD1 3.82Å; I121-F125 HydrophobicContact CG2-CE1 3.51Å; I121-F125 HydrophobicContact CG2-CE2 4.44Å; I121-F125 HydrophobicContact CG2-CG 4.41Å; I121-F125 HydrophobicContact CG2-CZ 3.86Å; I121-F125 WeakPolarHBondContact O-CD1 3.18Å; I121-F125 PolarHBondContact O-N 3.06Å; E122-F125 WeakPolarHBondContact O-CB 3.22Å; E122-F125 PolarHBondContact O-N 3.11Å; E122-F125 VanDerWaalsContact O-N 3.15Å; E123-F125 PolarHBondContact O-N 3.37Å; F125-T127 PolarHBondContact O-N 3.3Å; F125-I128 PolarHBondContact O-N 3.41Å; F125-I130 HydrophobicContact CB-CD1 3.73Å; F125-I130 HydrophobicContact CD1-CD1 3.89Å; F125-I130 HydrophobicContact CD2-CD1 3.34Å; F125-I130 HydrophobicContact CE1-CD1 4.32Å; F125-I130 HydrophobicContact CE2-CD1 3.84Å; F125-I130 HydrophobicContact CG-CD1 3.38Å; F125-I130 HydrophobicContact CZ-CD1 4.3Å; F125-L169 HydrophobicContact CE2-CD2 4.37Å; F125-L169 HydrophobicContact CZ-CD2 4.02Å; F125-M172 HydrophobicContact CD2-CB 3.74Å; F125-M172 HydrophobicContact CE2-CB 4.04Å; F125-A173 HydrophobicContact CE2-CB 4.48Å; F125-Q176 PolarHBondContact O-NE2 3.26Å
126	K	96.2	Very high	95.9	Very high	124 Å²	124	46.1 Å²	46.1	54%	0.539	22%	0.215	S	C	.	.	H	α-helix	trans	-63.9	-26.3	174.4	-69.8	170.5	-172.7	166.9	0	113.3	E122 E123 K124	E122-K126 WeakPolarHBondContact O-CG 3.28Å; E122-K126 PolarHBondContact O-N 2.9Å; E123-K126 PolarHBondContact O-N 3.37Å; E123-K126 IonicContact OE1-NZ 2.65Å; E123-K126 PolarHBondContact OE1-NZ 3.26Å; E123-K126 IonicContact OE2-NZ 3.06Å; K124-K126 VanDerWaalsContact C-N 3.27Å; K124-K126 PolarHBondContact O-N 3.3Å
127	T	96.4	Very high	95.7	Very high	98 Å²	98	42 Å²	42	60%	0.601	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-10.4	-179.4	68.1	0	0	0	0	115	E123 K124 F125	E123-T127 WeakPolarHBondContact O-CG2 3.49Å; K124-T127 PolarHBondContact O-N 3.39Å; K124-T127 PolarHBondContact O-OG1 2.95Å; F125-T127 PolarHBondContact O-N 3.3Å
128	I	96.8	Very high	95.4	Very high	12 Å²	12	39.6 Å²	39.6	6%	0.062	19%	0.192	C	C	.	.	S	Bend	trans	-129.2	151.3	-173.5	58.7	170.1	0	0	0	111.3	W48 V50 L74 F125 I130 Q176	W48-I128 HydrophobicContact CB-CB 4.26Å; W48-I128 HydrophobicContact CB-CD1 4.1Å; W48-I128 HydrophobicContact CD2-CB 3.96Å; W48-I128 HydrophobicContact CD2-CD1 4.28Å; W48-I128 HydrophobicContact CD2-CG2 3.75Å; W48-I128 HydrophobicContact CE3-CD1 4.32Å; W48-I128 HydrophobicContact CE3-CG2 4.26Å; W48-I128 HydrophobicContact CG-CB 3.73Å; W48-I128 HydrophobicContact CG-CD1 4.22Å; W48-I128 HydrophobicContact CG-CG1 4.49Å; W48-I128 HydrophobicContact CG-CG2 4.07Å; W48-I128 HydrophobicContact CH2-CG2 4.49Å; W48-I128 HydrophobicContact CZ2-CG2 4.03Å; V50-I128 HydrophobicContact CG2-CD1 4.04Å; L74-I128 HydrophobicContact CB-CD1 4.26Å; L74-I128 HydrophobicContact CD2-CD1 3.71Å; F125-I128 PolarHBondContact O-N 3.41Å; I128-I130 HydrophobicContact CD1-CD1 4.34Å; I128-I130 HydrophobicContact CD1-CG1 3.84Å; I128-I130 HydrophobicContact CG1-CD1 4.36Å; I128-I130 HydrophobicContact CG1-CG1 3.82Å; I128-I130 PolarHBondContact O-N 3.01Å; I128-Q176 PolarHBondContact O-NE2 3.48Å; I128-Q176 PolarHBondContact O-OE1 2.71Å
129	D	96.3	Very high	95	Very high	23 Å²	23	40.6 Å²	40.6	12%	0.123	20%	0.197	C	C	.	.			trans	-90.9	93.7	173.7	176.1	50.9	0	0	0	110.9	G46 E47 W48 G131 K180 R182	G46-D129 VanDerWaalsContact CA-OD2 3.28Å; G46-D129 WeakPolarHBondContact CA-OD2 3.42Å; E47-D129 HydrophobicContact CB-CB 4.27Å; E47-D129 HydrophobicContact CG-CB 4.42Å; E47-D129 PolarHBondContact N-O 3.46Å; E47-D129 PolarHBondContact N-OD2 2.96Å; E47-D129 VanDerWaalsContact N-OD2 3.15Å; W48-D129 PolarHBondContact N-O 3.23Å; D129-G131 PolarHBondContact O-N 3.26Å; D129-K180 IonicContact OD1-NZ 2.8Å; D129-K180 PolarHBondContact OD1-NZ 3.3Å; D129-R182 IonicContact OD1-NH2 3.27Å; D129-R182 PolarHBondContact OD1-NH2 2.77Å; D129-R182 IonicContact OD2-CZ 3.54Å; D129-R182 IonicContact OD2-NH1 3.42Å; D129-R182 IonicContact OD2-NH2 3.88Å; D129-R182 PolarHBondContact OD2-NH2 3.33Å
130	I	95.7	Very high	94.6	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	113.4	-174.6	-53.9	169.7	0	0	0	110.4	V50 F125 I128 Q176 M177	V50-I130 HydrophobicContact CG2-CD1 4Å; V50-I130 HydrophobicContact CG2-CG1 3.98Å; V50-I130 HydrophobicContact CG2-CG2 3.97Å; F125-I130 HydrophobicContact CB-CD1 3.73Å; F125-I130 HydrophobicContact CD1-CD1 3.89Å; F125-I130 HydrophobicContact CD2-CD1 3.34Å; F125-I130 HydrophobicContact CE1-CD1 4.32Å; F125-I130 HydrophobicContact CE2-CD1 3.84Å; F125-I130 HydrophobicContact CG-CD1 3.38Å; F125-I130 HydrophobicContact CZ-CD1 4.3Å; I128-I130 HydrophobicContact CD1-CD1 4.34Å; I128-I130 HydrophobicContact CD1-CG1 3.84Å; I128-I130 HydrophobicContact CG1-CD1 4.36Å; I128-I130 HydrophobicContact CG1-CG1 3.82Å; I128-I130 PolarHBondContact O-N 3.01Å; I130-Q176 VanDerWaalsContact CB-OE1 3.24Å; I130-Q176 VanDerWaalsContact CG1-OE1 3.26Å; I130-M177 HydrophobicContact CG2-CE 3.8Å
131	G	91.7	Very high	94	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-35	171.3	0	0	0	0	0	113.8	L45 G46 W48 D129 G183 A184	L45-G131 VanDerWaalsContact C-CA 3.41Å; L45-G131 WeakPolarHBondContact O-CA 3.47Å; G46-G131 VanDerWaalsContact CA-CA 3.42Å; W48-G131 PolarHBondContact O-N 3.45Å; D129-G131 PolarHBondContact O-N 3.26Å; G131-G183 CarbonylContact O-C 3.59Å; G131-G183 VanDerWaalsContact O-CA 3.32Å; G131-G183 WeakPolarHBondContact O-CA 3.19Å; G131-A184 PolarHBondContact O-N 2.93Å
132	V	94.4	Very high	93.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	124.8	-177.8	-173.9	0	0	0	0	110.4	L45 W48 A49 V50 L66 L71 V134 A184 V186	L45-V132 HydrophobicContact CD1-CG2 4.23Å; W48-V132 PolarHBondContact O-N 2.98Å; A49-V132 CarbonylContact C-O 3.52Å; A49-V132 WeakPolarHBondContact CA-O 3.46Å; A49-V132 HydrophobicContact CB-CB 4.13Å; V50-V132 PolarHBondContact N-O 3.12Å; L66-V132 HydrophobicContact CD1-CG1 4.2Å; L66-V132 HydrophobicContact CD2-CG1 4.44Å; L66-V132 HydrophobicContact CD2-CG2 4.43Å; L71-V132 HydrophobicContact CD1-CG2 4.35Å; V132-V134 HydrophobicContact CG1-CG2 3.94Å; V132-A184 CarbonylContact C-O 3.53Å; V132-A184 VanDerWaalsContact CA-O 3.31Å; V132-A184 WeakPolarHBondContact CA-O 3.49Å; V132-V186 HydrophobicContact CG1-CG2 4.24Å
133	L	94.5	Very high	92.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	125.3	166.3	173.3	64.4	0	0	0	108.8	V50 L169 A173 M177 A184 I185 V186	V50-L133 HydrophobicContact CB-CD1 3.91Å; V50-L133 HydrophobicContact CG1-CD1 4.02Å; V50-L133 CarbonylContact O-C 3.51Å; L133-L169 HydrophobicContact CD2-CB 4.1Å; L133-A173 HydrophobicContact CB-CB 4.21Å; L133-A173 HydrophobicContact CD2-CB 3.78Å; L133-M177 HydrophobicContact CB-CE 4.48Å; L133-A184 PolarHBondContact N-O 3.01Å; L133-I185 HydrophobicContact CB-CG1 4.49Å; L133-I185 HydrophobicContact CD2-CG2 4.37Å; L133-I185 CarbonylContact O-C 3.47Å; L133-I185 WeakPolarHBondContact O-CA 3.29Å; L133-V186 PolarHBondContact O-N 3.4Å
134	V	95	Very high	92.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	100.6	173.8	-173.4	0	0	0	0	109	V50 V51 T52 Y62 L66 V132 N136 V186 I188	V50-V134 PolarHBondContact O-N 3.27Å; V51-V134 HydrophobicContact CB-CB 4.33Å; V51-V134 HydrophobicContact CG1-CB 4Å; V51-V134 HydrophobicContact CG1-CG1 4.18Å; V51-V134 HydrophobicContact CG2-CB 4.12Å; V51-V134 HydrophobicContact CG2-CG2 4.09Å; T52-V134 PolarHBondContact N-O 2.64Å; T52-V134 PolarHBondContact OG1-O 2.83Å; Y62-V134 HydrophobicContact CD1-CG1 4.13Å; Y62-V134 HydrophobicContact CD1-CG2 4.15Å; Y62-V134 HydrophobicContact CD2-CG1 4.49Å; Y62-V134 HydrophobicContact CG-CG1 4.08Å; L66-V134 HydrophobicContact CD1-CG2 3.79Å; V132-V134 HydrophobicContact CG1-CG2 3.94Å; V134-N136 HydrophobicContact CG1-CB 4.02Å; V134-N136 PolarHBondContact O-N 3.49Å; V134-N136 VanDerWaalsContact O-N 3.07Å; V134-V186 CarbonylContact C-O 3.51Å; V134-V186 WeakPolarHBondContact CA-O 3.44Å; V134-V186 HydrophobicContact CG1-CB 4.36Å; V134-V186 HydrophobicContact CG1-CG1 4.33Å; V134-V186 HydrophobicContact CG2-CB 4.22Å; V134-I188 HydrophobicContact CG1-CD1 4.36Å; V134-I188 HydrophobicContact CG1-CG1 4.2Å
135	N	93.5	Very high	91.7	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.011	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	86.2	171.6	-67.6	-50.1	0	0	0	109	T166 T170 V186 N187 I188	N135-T166 HydrophobicContact CB-CG2 4.01Å; N135-T170 PolarHBondContact ND2-OG1 3.38Å; N135-T170 VanDerWaalsContact ND2-OG1 3.08Å; N135-V186 PolarHBondContact N-O 2.9Å; N135-N187 WeakPolarHBondContact CB-OD1 3.38Å; N135-N187 PolarHBondContact ND2-OD1 3.44Å; N135-I188 WeakPolarHBondContact O-CB 3.49Å; N135-I188 PolarHBondContact O-N 3.32Å
136	N	92.6	Very high	91.2	Very high	21 Å²	21	42.3 Å²	42.3	11%	0.112	23%	0.227	C	C	.	.			trans	-104.7	-26.9	-178.4	164.2	87.8	0	0	0	114.1	T52 G53 G59 V134 G138 I188	T52-N136 WeakPolarHBondContact O-CB 3.28Å; T52-N136 PolarHBondContact O-ND2 3.44Å; T52-N136 PolarHBondContact OG1-N 2.88Å; G53-N136 PolarHBondContact O-ND2 3.03Å; G59-N136 VanDerWaalsContact CA-ND2 3.28Å; G59-N136 WeakPolarHBondContact CA-ND2 3.41Å; G59-N136 PolarHBondContact N-ND2 3.18Å; G59-N136 PolarHBondContact N-OD1 3.4Å; V134-N136 HydrophobicContact CG1-CB 4.02Å; V134-N136 PolarHBondContact O-N 3.49Å; V134-N136 VanDerWaalsContact O-N 3.07Å; N136-G138 PolarHBondContact O-N 3.5Å; N136-I188 HydrophobicContact CB-CB 4.24Å; N136-I188 HydrophobicContact CB-CG1 3.6Å
137	V	92.8	Very high	90.8	Very high	20 Å²	20	40.2 Å²	40.2	12%	0.121	22%	0.221	C	C	.	.			trans	-55	138.2	-179.4	73	0	0	0	0	110.8	T52 F110 V161	T52-V137 PolarHBondContact O-N 3.28Å; T52-V137 WeakPolarHBondContact OG1-CG1 3.03Å; T52-V137 PolarHBondContact OG1-N 3.1Å; F110-V137 HydrophobicContact CD2-CB 4.42Å; F110-V137 HydrophobicContact CD2-CG1 3.89Å; F110-V137 HydrophobicContact CD2-CG2 4.11Å; F110-V137 HydrophobicContact CE2-CG1 4.07Å; V137-V161 HydrophobicContact CG1-CG1 4.36Å; V137-V161 HydrophobicContact CG2-CG1 3.92Å
138	G	90.4	Very high	90.5	Very high	31 Å²	31	42.8 Å²	42.8	32%	0.32	23%	0.226	S	C	.	.			trans	-169.1	155.9	177.7	0	0	0	0	0	112.5	N136 N162	N136-G138 PolarHBondContact O-N 3.5Å; G138-N162 WeakPolarHBondContact CA-OD1 3.31Å
139	M	89.4	Confident	90.2	Very high	39 Å²	39	47 Å²	47	19%	0.192	25%	0.245	C	C	.	.			trans	-127.8	150.5	168.5	63	-172.5	-78.2	0	0	110.8	F154 D157 L158 V161 N162 Y203	M139-F154 HydrophobicContact CE-CD2 3.55Å; M139-F154 HydrophobicContact CE-CE2 3.26Å; M139-F154 HydrophobicContact CE-CZ 4.04Å; M139-D157 HydrophobicContact CE-CB 3.89Å; M139-D157 VanDerWaalsContact SD-C 3.5Å; M139-D157 HydrophobicContact SD-CB 3.86Å; M139-L158 HydrophobicContact CE-CB 4.24Å; M139-L158 HydrophobicContact CG-CB 4.09Å; M139-L158 HydrophobicContact CG-CG 4.23Å; M139-L158 VanDerWaalsContact SD-CA 3.56Å; M139-L158 HydrophobicContact SD-CB 4.25Å; M139-V161 HydrophobicContact CG-CB 4.15Å; M139-V161 HydrophobicContact CG-CG1 4.35Å; M139-V161 HydrophobicContact SD-CB 4.1Å; M139-V161 HydrophobicContact SD-CG2 3.86Å; M139-N162 PolarHBondContact N-OD1 3.46Å; M139-N162 PolarHBondContact O-ND2 3.37Å; M139-Y203 WeakPolarHBondContact O-CD2 3.33Å; M139-Y203 VanDerWaalsContact O-CE2 3.27Å; M139-Y203 WeakPolarHBondContact O-CE2 3.15Å
140	C	87.8	Confident	89.9	Confident	36 Å²	36	47.1 Å²	47.1	24%	0.243	25%	0.245	C	C	.	.			trans	-127.7	176.3	174.8	70.3	0	0	0	0	109.8	Y203 M218	C140-Y203 HydrophobicContact CB-CD2 3.71Å; C140-Y203 HydrophobicContact CB-CE2 3.64Å; C140-Y203 HydrophobicContact CB-CG 4.23Å; C140-M218 HydrophobicContact CB-CB 4.44Å; C140-M218 HydrophobicContact CB-CG 4.25Å; C140-M218 HydrophobicContact CB-SD 3.52Å; C140-M218 VanDerWaalsContact CB-SD 3.52Å; C140-M218 VanDerWaalsContact SG-CG 3.58Å; C140-M218 VanDerWaalsContact SG-SD 3.69Å
141	Y	85.5	Confident	89.7	Confident	12 Å²	12	52.9 Å²	52.9	5%	0.047	28%	0.276	C	S	.	.			trans	-68.7	148.9	176	-60.5	-160.3	0	0	0	109.5	Y143 E145 L150 F154 L158 F199 L200 A202	Y141-Y143 VanDerWaalsContact C-N 3.31Å; Y141-Y143 VanDerWaalsContact CB-O 3.28Å; Y141-Y143 WeakPolarHBondContact CB-O 3.27Å; Y141-E145 HydrophobicContact CD1-CB 4.39Å; Y141-L150 HydrophobicContact CD1-CD1 4.33Å; Y141-L150 HydrophobicContact CD1-CD2 3.97Å; Y141-L150 HydrophobicContact CE1-CD1 3.47Å; Y141-L150 VanDerWaalsContact CE1-CD1 3.47Å; Y141-L150 HydrophobicContact CE1-CD2 3.88Å; Y141-L150 HydrophobicContact CE1-CG 4.18Å; Y141-L150 HydrophobicContact CE2-CD1 4.05Å; Y141-L150 WeakPolarHBondContact OH-CD1 3.33Å; Y141-F154 AromaticContact CD2-CE1 3.75Å; Y141-F154 HydrophobicContact CD2-CE1 3.75Å; Y141-F154 AromaticContact CD2-CZ 3.96Å; Y141-F154 HydrophobicContact CD2-CZ 3.96Å; Y141-F154 HydrophobicContact CE2-CE1 4.09Å; Y141-F154 HydrophobicContact CG-CE1 4.25Å; Y141-F154 HydrophobicContact CG-CZ 4.44Å; Y141-L158 HydrophobicContact CD2-CD1 3.81Å; Y141-L158 HydrophobicContact CE2-CD1 3.65Å; Y141-F199 WeakPolarHBondContact CD1-O 3.2Å; Y141-F199 WeakPolarHBondContact CE1-O 3.39Å; Y141-L200 HydrophobicContact CD1-CD2 3.66Å; Y141-L200 HydrophobicContact CD2-CD2 4.21Å; Y141-L200 HydrophobicContact CE1-CD2 4.31Å; Y141-L200 HydrophobicContact CG-CD2 3.57Å; Y141-A202 HydrophobicContact CE2-CB 4.23Å; Y141-A202 WeakPolarHBondContact OH-CB 3.46Å; Y141-A202 PolarHBondContact OH-N 2.74Å
142	S	82.7	Confident	89.8	Confident	89 Å²	89	58.7 Å²	58.7	62%	0.622	31%	0.307	S	S	*	.	S	Bend	trans	-68.1	-34.9	175.7	-66.6	0	0	0	0	112	K220	S142-K220 PolarHBondContact O-NZ 3.2Å; S142-K220 VanDerWaalsContact O-NZ 3.08Å
143	Y	83.1	Confident	89.8	Confident	134 Å²	134	65.2 Å²	65.2	53%	0.525	34%	0.337	S	S	.	.	S	Bend	trans	-149.4	161.3	175.5	53	-91.5	0	0	0	109.7	Y141 E145	Y141-Y143 VanDerWaalsContact C-N 3.31Å; Y141-Y143 VanDerWaalsContact CB-O 3.28Å; Y141-Y143 WeakPolarHBondContact CB-O 3.27Å; Y143-E145 HydrophobicContact CD2-CB 4.25Å; Y143-E145 HydrophobicContact CE2-CB 4.01Å; Y143-E145 HydrophobicContact CE2-CG 4.26Å; Y143-E145 WeakPolarHBondContact CE2-OE1 3.43Å; Y143-E145 WeakPolarHBondContact CE2-OE2 3.38Å; Y143-E145 VanDerWaalsContact CZ-OE2 3.26Å; Y143-E145 PolarHBondContact O-N 3Å; Y143-E145 PolarHBondContact OH-OE1 2.85Å; Y143-E145 PolarHBondContact OH-OE2 3.31Å
144	P	86.4	Confident	89.8	Confident	90 Å²	90	67.5 Å²	67.5	58%	0.584	35%	0.347	S	S	*	.			trans	-62.7	128.5	176.9	-19	31.9	0	0	0	110.9	F199	P144-F199 HydrophobicContact CB-CB 3.53Å; P144-F199 HydrophobicContact CB-CG 4.24Å
145	E	87.4	Confident	89.7	Confident	42 Å²	42	69.4 Å²	69.4	20%	0.196	36%	0.357	C	S	.	.			trans	-149.4	151.8	-175.1	-172.5	141.3	-118.3	0	0	111.1	Y141 Y143 Q149 L150 F199	Y141-E145 HydrophobicContact CD1-CB 4.39Å; Y143-E145 HydrophobicContact CD2-CB 4.25Å; Y143-E145 HydrophobicContact CE2-CB 4.01Å; Y143-E145 HydrophobicContact CE2-CG 4.26Å; Y143-E145 WeakPolarHBondContact CE2-OE1 3.43Å; Y143-E145 WeakPolarHBondContact CE2-OE2 3.38Å; Y143-E145 VanDerWaalsContact CZ-OE2 3.26Å; Y143-E145 PolarHBondContact O-N 3Å; Y143-E145 PolarHBondContact OH-OE1 2.85Å; Y143-E145 PolarHBondContact OH-OE2 3.31Å; E145-Q149 HydrophobicContact CG-CB 3.74Å; E145-L150 HydrophobicContact CB-CD2 4.08Å; E145-L150 HydrophobicContact CG-CD2 4.12Å; E145-F199 PolarHBondContact N-O 3.4Å; E145-F199 CarbonylContact O-C 3.57Å; E145-F199 VanDerWaalsContact O-C 3.25Å; E145-F199 WeakPolarHBondContact O-CA 3.44Å
146	Y	87.2	Confident	89.7	Confident	114 Å²	114	73.5 Å²	73.5	45%	0.447	38%	0.379	S	S	.	.			trans	-73.2	144.7	176.4	-67.8	-76.4	0	0	0	111.1	H148 Q149 F199	Y146-H148 VanDerWaalsContact C-N 3.26Å; Y146-H148 VanDerWaalsContact CB-CE1 3.49Å; Y146-H148 WeakPolarHBondContact CB-CE1 3.39Å; Y146-H148 AromaticContact CG-CE1 4Å; Y146-H148 PolarHBondContact O-N 3.33Å; Y146-H148 VanDerWaalsContact O-N 3.14Å; Y146-Q149 WeakPolarHBondContact O-CB 3.38Å; Y146-Q149 PolarHBondContact O-N 3.17Å; Y146-F199 HydrophobicContact CD1-CD1 4.38Å; Y146-F199 HydrophobicContact CD1-CE1 4.34Å; Y146-F199 HydrophobicContact CE1-CD1 4.11Å; Y146-F199 AromaticContact CE1-CE1 3.65Å; Y146-F199 HydrophobicContact CE1-CE1 3.65Å; Y146-F199 HydrophobicContact CE1-CZ 4.39Å; Y146-F199 HydrophobicContact CE2-CD1 4.43Å; Y146-F199 AromaticContact CE2-CE1 3.88Å; Y146-F199 HydrophobicContact CE2-CE1 3.88Å; Y146-F199 AromaticContact CZ-CE1 3.39Å; Y146-F199 WeakPolarHBondContact OH-CE1 3.48Å
147	L	87.3	Confident	89.8	Confident	80 Å²	80	73.9 Å²	73.9	42%	0.419	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-52.3	-40.9	-177.2	-178.6	64.9	0	0	0	113.8	Q149 L150 L155 A202	L147-Q149 PolarHBondContact O-N 3.32Å; L147-L150 HydrophobicContact CD1-CD1 4.21Å; L147-L150 PolarHBondContact O-N 3.02Å; L147-L155 HydrophobicContact CD1-CD1 4.2Å; L147-A202 HydrophobicContact CD1-CB 3.96Å
148	H	89.6	Confident	89.8	Confident	152 Å²	152	73 Å²	73	70%	0.704	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-75.4	-8.7	-177.9	69.1	-83.5	0	0	0	114	Y146	Y146-H148 VanDerWaalsContact C-N 3.26Å; Y146-H148 VanDerWaalsContact CB-CE1 3.49Å; Y146-H148 WeakPolarHBondContact CB-CE1 3.39Å; Y146-H148 AromaticContact CG-CE1 4Å; Y146-H148 PolarHBondContact O-N 3.33Å; Y146-H148 VanDerWaalsContact O-N 3.14Å
149	Q	91.1	Very high	89.9	Confident	100 Å²	100	74.8 Å²	74.8	47%	0.467	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-98.1	-7.4	178.1	-63.3	-178.9	-46.5	0	0	112.4	E145 Y146 L147	E145-Q149 HydrophobicContact CG-CB 3.74Å; Y146-Q149 WeakPolarHBondContact O-CB 3.38Å; Y146-Q149 PolarHBondContact O-N 3.17Å; L147-Q149 PolarHBondContact O-N 3.32Å
150	L	89.5	Confident	90.1	Very high	25 Å²	25	75.3 Å²	75.3	13%	0.131	38%	0.381	C	S	.	.	S	Bend	trans	-78	140.9	178.7	-62.4	170.2	0	0	0	110.8	Y141 E145 L147 L152 F154	Y141-L150 HydrophobicContact CD1-CD1 4.33Å; Y141-L150 HydrophobicContact CD1-CD2 3.97Å; Y141-L150 HydrophobicContact CE1-CD1 3.47Å; Y141-L150 VanDerWaalsContact CE1-CD1 3.47Å; Y141-L150 HydrophobicContact CE1-CD2 3.88Å; Y141-L150 HydrophobicContact CE1-CG 4.18Å; Y141-L150 HydrophobicContact CE2-CD1 4.05Å; Y141-L150 WeakPolarHBondContact OH-CD1 3.33Å; E145-L150 HydrophobicContact CB-CD2 4.08Å; E145-L150 HydrophobicContact CG-CD2 4.12Å; L147-L150 HydrophobicContact CD1-CD1 4.21Å; L147-L150 PolarHBondContact O-N 3.02Å; L150-L152 PolarHBondContact O-N 3.18Å; L150-F154 HydrophobicContact CD2-CD1 4.19Å; L150-F154 HydrophobicContact CD2-CE1 4.2Å
151	D	92.8	Very high	90.4	Very high	124 Å²	124	74 Å²	74	66%	0.663	37%	0.371	S	S	*	.			trans	-61.4	136.5	169.3	-63.5	-44.6	0	0	0	110.6	E153 F154 L155	D151-E153 PolarHBondContact O-N 2.86Å; D151-F154 HydrophobicContact CB-CB 4.3Å; D151-F154 PolarHBondContact O-N 3.42Å; D151-L155 PolarHBondContact O-N 3.12Å
152	L	93.3	Very high	90.7	Very high	122 Å²	122	73.4 Å²	73.4	64%	0.639	37%	0.369	S	S	*	.	H	α-helix	trans	-59.5	-38.1	-179.6	179.7	60.9	0	0	0	111.9	L150 L155 L156	L150-L152 PolarHBondContact O-N 3.18Å; L152-L155 PolarHBondContact O-N 2.89Å; L152-L156 HydrophobicContact CD1-CD1 4.5Å; L152-L156 HydrophobicContact CD1-CG 4.39Å; L152-L156 HydrophobicContact CG-CD1 4.25Å; L152-L156 WeakPolarHBondContact O-CG 3.32Å; L152-L156 PolarHBondContact O-N 3.37Å
153	E	94.9	Very high	91	Very high	136 Å²	136	70.1 Å²	70.1	64%	0.636	35%	0.346	S	S	*	.	H	α-helix	trans	-60.7	-49.7	177.1	-174.2	174.6	-178.8	0	0	111.2	D151 L155 L156 D157	D151-E153 PolarHBondContact O-N 2.86Å; E153-L155 VanDerWaalsContact C-N 3.3Å; E153-L155 PolarHBondContact O-N 3.14Å; E153-L156 PolarHBondContact O-N 2.81Å; E153-D157 PolarHBondContact O-N 3.34Å
154	F	93.9	Very high	91.5	Very high	48 Å²	48	66.1 Å²	66.1	21%	0.211	34%	0.335	C	S	.	.	H	α-helix	trans	-59.8	-40.1	175.8	173.5	-97.3	0	0	0	112.4	M139 Y141 L150 D151 D157 L158	M139-F154 HydrophobicContact CE-CD2 3.55Å; M139-F154 HydrophobicContact CE-CE2 3.26Å; M139-F154 HydrophobicContact CE-CZ 4.04Å; Y141-F154 AromaticContact CD2-CE1 3.75Å; Y141-F154 HydrophobicContact CD2-CE1 3.75Å; Y141-F154 AromaticContact CD2-CZ 3.96Å; Y141-F154 HydrophobicContact CD2-CZ 3.96Å; Y141-F154 HydrophobicContact CE2-CE1 4.09Å; Y141-F154 HydrophobicContact CG-CE1 4.25Å; Y141-F154 HydrophobicContact CG-CZ 4.44Å; L150-F154 HydrophobicContact CD2-CD1 4.19Å; L150-F154 HydrophobicContact CD2-CE1 4.2Å; D151-F154 HydrophobicContact CB-CB 4.3Å; D151-F154 PolarHBondContact O-N 3.42Å; F154-D157 PolarHBondContact O-N 2.76Å; F154-L158 HydrophobicContact CE1-CD1 4.1Å; F154-L158 HydrophobicContact CZ-CD1 4.07Å; F154-L158 WeakPolarHBondContact O-CB 3.36Å; F154-L158 PolarHBondContact O-N 3.42Å
155	L	91.9	Very high	91.9	Very high	40 Å²	40	61.9 Å²	61.9	21%	0.209	31%	0.307	C	S	.	.	H	α-helix	trans	-63.7	-43.3	177.9	-176.6	64	0	0	0	111.6	L147 D151 L152 E153 L158 I159 A202	L147-L155 HydrophobicContact CD1-CD1 4.2Å; D151-L155 PolarHBondContact O-N 3.12Å; L152-L155 PolarHBondContact O-N 2.89Å; E153-L155 VanDerWaalsContact C-N 3.3Å; E153-L155 PolarHBondContact O-N 3.14Å; L155-L158 PolarHBondContact O-N 3.05Å; L155-I159 HydrophobicContact CD1-CD1 4.46Å; L155-I159 HydrophobicContact CG-CD1 4.25Å; L155-I159 WeakPolarHBondContact O-CG1 3.18Å; L155-I159 PolarHBondContact O-N 2.96Å; L155-I159 VanDerWaalsContact O-N 3.11Å; L155-A202 HydrophobicContact CD1-CB 3.34Å
156	L	94.6	Very high	92	Very high	88 Å²	88	60 Å²	60	46%	0.461	30%	0.299	S	S	.	.	H	α-helix	trans	-65.4	-44.4	176.3	-71.2	173.4	0	0	0	111.5	L152 E153 L158 I159 N160	L152-L156 HydrophobicContact CD1-CD1 4.5Å; L152-L156 HydrophobicContact CD1-CG 4.39Å; L152-L156 HydrophobicContact CG-CD1 4.25Å; L152-L156 WeakPolarHBondContact O-CG 3.32Å; L152-L156 PolarHBondContact O-N 3.37Å; E153-L156 PolarHBondContact O-N 2.81Å; L156-L158 VanDerWaalsContact C-N 3.3Å; L156-L158 PolarHBondContact O-N 3.04Å; L156-I159 PolarHBondContact O-N 3.3Å; L156-N160 WeakPolarHBondContact O-CB 3.46Å; L156-N160 PolarHBondContact O-N 2.84Å; L156-N160 PolarHBondContact O-ND2 3.09Å
157	D	95.5	Very high	92.1	Very high	30 Å²	30	58.5 Å²	58.5	16%	0.16	30%	0.302	C	S	.	.	H	α-helix	trans	-56.7	-45.5	174.8	-77.7	-4.4	0	0	0	111.4	A111 H112 M139 E153 F154 I159 N160 V161	A111-D157 HydrophobicContact CB-CB 4.07Å; H112-D157 IonicContact CE1-OD1 2.81Å; H112-D157 IonicContact CE1-OD2 3.71Å; H112-D157 IonicContact NE2-OD1 3.84Å; M139-D157 HydrophobicContact CE-CB 3.89Å; M139-D157 VanDerWaalsContact SD-C 3.5Å; M139-D157 HydrophobicContact SD-CB 3.86Å; E153-D157 PolarHBondContact O-N 3.34Å; F154-D157 PolarHBondContact O-N 2.76Å; D157-I159 VanDerWaalsContact C-N 3.34Å; D157-I159 PolarHBondContact O-N 3.28Å; D157-N160 PolarHBondContact O-N 3.23Å; D157-V161 WeakPolarHBondContact O-CB 3.46Å; D157-V161 VanDerWaalsContact O-CG2 3.27Å; D157-V161 WeakPolarHBondContact O-CG2 3.08Å; D157-V161 PolarHBondContact O-N 2.69Å
158	L	92.7	Very high	92.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.9	-43.3	178.6	-177.1	148	0	0	0	111.9	M139 Y141 F154 L155 L156 N162 A202 Y203	M139-L158 HydrophobicContact CE-CB 4.24Å; M139-L158 HydrophobicContact CG-CB 4.09Å; M139-L158 HydrophobicContact CG-CG 4.23Å; M139-L158 VanDerWaalsContact SD-CA 3.56Å; M139-L158 HydrophobicContact SD-CB 4.25Å; Y141-L158 HydrophobicContact CD2-CD1 3.81Å; Y141-L158 HydrophobicContact CE2-CD1 3.65Å; F154-L158 HydrophobicContact CE1-CD1 4.1Å; F154-L158 HydrophobicContact CZ-CD1 4.07Å; F154-L158 WeakPolarHBondContact O-CB 3.36Å; F154-L158 PolarHBondContact O-N 3.42Å; L155-L158 PolarHBondContact O-N 3.05Å; L156-L158 VanDerWaalsContact C-N 3.3Å; L156-L158 PolarHBondContact O-N 3.04Å; L158-N162 VanDerWaalsContact O-CB 3.23Å; L158-N162 WeakPolarHBondContact O-CB 3.39Å; L158-N162 PolarHBondContact O-N 3.49Å; L158-A202 HydrophobicContact CD2-CB 4.24Å; L158-Y203 HydrophobicContact CD1-CD2 4.47Å
159	I	91.4	Very high	92.7	Very high	69 Å²	69	49.3 Å²	49.3	35%	0.354	26%	0.259	S	S	.	.	H	α-helix	trans	-67.8	-43.4	177.6	-67.7	166.3	0	0	0	110.6	L155 L156 D157 C163 V164	L155-I159 HydrophobicContact CD1-CD1 4.46Å; L155-I159 HydrophobicContact CG-CD1 4.25Å; L155-I159 WeakPolarHBondContact O-CG1 3.18Å; L155-I159 PolarHBondContact O-N 2.96Å; L155-I159 VanDerWaalsContact O-N 3.11Å; L156-I159 PolarHBondContact O-N 3.3Å; D157-I159 VanDerWaalsContact C-N 3.34Å; D157-I159 PolarHBondContact O-N 3.28Å; I159-C163 HydrophobicContact CG2-CB 4.4Å; I159-C163 WeakPolarHBondContact O-CA 3.29Å; I159-C163 VanDerWaalsContact O-CB 3.25Å; I159-C163 WeakPolarHBondContact O-CB 3.31Å; I159-C163 PolarHBondContact O-N 3.15Å; I159-V164 HydrophobicContact CG2-CG2 4.41Å; I159-V164 PolarHBondContact O-N 3.48Å
160	N	94.6	Very high	92.6	Very high	51 Å²	51	45.8 Å²	45.8	27%	0.273	25%	0.245	S	C	.	.	I	π-helix	trans	-62.4	-47.7	179.7	-73.6	-18	0	0	0	111.5	F110 A111 L156 D157 V164 S165	F110-N160 WeakPolarHBondContact O-CB 3.47Å; A111-N160 PolarHBondContact O-ND2 2.95Å; L156-N160 WeakPolarHBondContact O-CB 3.46Å; L156-N160 PolarHBondContact O-N 2.84Å; L156-N160 PolarHBondContact O-ND2 3.09Å; D157-N160 PolarHBondContact O-N 3.23Å; N160-V164 WeakPolarHBondContact O-CB 3.33Å; N160-V164 PolarHBondContact O-N 2.86Å; N160-S165 PolarHBondContact O-N 3.44Å
161	V	94	Very high	92.6	Very high	7 Å²	7	49.6 Å²	49.6	4%	0.042	26%	0.262	C	S	.	.	I	π-helix	trans	-69	-49.4	179.7	176.5	0	0	0	0	111.4	F110 A111 V137 M139 D157 S165	F110-V161 HydrophobicContact CB-CG2 4.14Å; A111-V161 HydrophobicContact CB-CG2 3.83Å; V137-V161 HydrophobicContact CG1-CG1 4.36Å; V137-V161 HydrophobicContact CG2-CG1 3.92Å; M139-V161 HydrophobicContact CG-CB 4.15Å; M139-V161 HydrophobicContact CG-CG1 4.35Å; M139-V161 HydrophobicContact SD-CB 4.1Å; M139-V161 HydrophobicContact SD-CG2 3.86Å; D157-V161 WeakPolarHBondContact O-CB 3.46Å; D157-V161 VanDerWaalsContact O-CG2 3.27Å; D157-V161 WeakPolarHBondContact O-CG2 3.08Å; D157-V161 PolarHBondContact O-N 2.69Å; V161-S165 WeakPolarHBondContact O-CB 3.45Å; V161-S165 PolarHBondContact O-OG 2.8Å
162	N	91.4	Very high	92.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.234	C	C	.	.	I	π-helix	trans	-84.8	-35.6	-169.8	-65.9	2.3	0	0	0	113	G138 M139 L158 T166 S206	G138-N162 WeakPolarHBondContact CA-OD1 3.31Å; M139-N162 PolarHBondContact N-OD1 3.46Å; M139-N162 PolarHBondContact O-ND2 3.37Å; L158-N162 VanDerWaalsContact O-CB 3.23Å; L158-N162 WeakPolarHBondContact O-CB 3.39Å; L158-N162 PolarHBondContact O-N 3.49Å; N162-T166 WeakPolarHBondContact O-CB 3.26Å; N162-T166 PolarHBondContact O-OG1 2.89Å; N162-S206 PolarHBondContact ND2-OG 3.33Å
163	C	89.3	Confident	92.5	Very high	20 Å²	20	38.7 Å²	38.7	14%	0.135	20%	0.204	C	C	.	.	I	π-helix	trans	-106.4	-54.2	-171.6	-55.4	0	0	0	0	112.5	I159 T167 S206 V209	I159-C163 HydrophobicContact CG2-CB 4.4Å; I159-C163 WeakPolarHBondContact O-CA 3.29Å; I159-C163 VanDerWaalsContact O-CB 3.25Å; I159-C163 WeakPolarHBondContact O-CB 3.31Å; I159-C163 PolarHBondContact O-N 3.15Å; C163-T167 WeakPolarHBondContact O-CB 3.1Å; C163-T167 PolarHBondContact O-N 2.65Å; C163-T167 PolarHBondContact O-OG1 3.46Å; C163-S206 WeakPolarHBondContact SG-CA 3.16Å; C163-S206 VanDerWaalsContact SG-CB 3.52Å; C163-V209 HydrophobicContact CB-CB 4.41Å; C163-V209 HydrophobicContact CB-CG1 4.29Å; C163-V209 HydrophobicContact CB-CG2 4.14Å
164	V	92.6	Very high	92.1	Very high	51 Å²	51	35.5 Å²	35.5	31%	0.309	19%	0.19	S	C	.	.	I	π-helix	trans	-65.3	-49.7	-174.5	-179.3	0	0	0	0	109.9	I159 N160 T166 T167 V168	I159-V164 HydrophobicContact CG2-CG2 4.41Å; I159-V164 PolarHBondContact O-N 3.48Å; N160-V164 WeakPolarHBondContact O-CB 3.33Å; N160-V164 PolarHBondContact O-N 2.86Å; V164-T166 PolarHBondContact O-N 3.08Å; V164-T167 PolarHBondContact O-N 2.78Å; V164-V168 HydrophobicContact CG1-CG2 3.99Å; V164-V168 WeakPolarHBondContact O-CB 3.48Å; V164-V168 VanDerWaalsContact O-CG2 3.28Å; V164-V168 WeakPolarHBondContact O-CG2 3.39Å; V164-V168 PolarHBondContact O-N 3.15Å
165	S	94.5	Very high	91.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-57.6	-48.9	179.3	84.1	0	0	0	0	111.9	N160 V161 T167 V168 L169	N160-S165 PolarHBondContact O-N 3.44Å; V161-S165 WeakPolarHBondContact O-CB 3.45Å; V161-S165 PolarHBondContact O-OG 2.8Å; S165-T167 VanDerWaalsContact C-N 3.32Å; S165-T167 PolarHBondContact O-N 3.3Å; S165-V168 PolarHBondContact O-N 2.97Å; S165-L169 VanDerWaalsContact O-CB 3.29Å; S165-L169 WeakPolarHBondContact O-CB 3.26Å; S165-L169 WeakPolarHBondContact O-CG 3.49Å; S165-L169 PolarHBondContact O-N 2.91Å
166	T	90.7	Very high	91.7	Very high	4 Å²	4	37 Å²	37	3%	0.025	20%	0.2	C	C	.	.	H	α-helix	trans	-56.4	-46.5	178.1	-59.3	0	0	0	0	111.3	N135 N162 V164 T170	N135-T166 HydrophobicContact CB-CG2 4.01Å; N162-T166 WeakPolarHBondContact O-CB 3.26Å; N162-T166 PolarHBondContact O-OG1 2.89Å; V164-T166 PolarHBondContact O-N 3.08Å; T166-T170 WeakPolarHBondContact O-CB 3.39Å; T166-T170 PolarHBondContact O-N 3.07Å; T166-T170 PolarHBondContact O-OG1 2.99Å
167	T	89	Confident	91.4	Very high	81 Å²	81	33.5 Å²	33.5	50%	0.497	18%	0.181	S	C	.	.	H	α-helix	trans	-68.1	-48.1	-177.2	-55.1	0	0	0	0	111.4	C163 V164 S165 T170 H171	C163-T167 WeakPolarHBondContact O-CB 3.1Å; C163-T167 PolarHBondContact O-N 2.65Å; C163-T167 PolarHBondContact O-OG1 3.46Å; V164-T167 PolarHBondContact O-N 2.78Å; S165-T167 VanDerWaalsContact C-N 3.32Å; S165-T167 PolarHBondContact O-N 3.3Å; T167-T170 PolarHBondContact O-N 2.62Å; T167-H171 WeakPolarHBondContact O-CB 3.44Å; T167-H171 PolarHBondContact O-N 2.76Å
168	V	94.1	Very high	90.9	Very high	39 Å²	39	38 Å²	38	24%	0.236	21%	0.205	C	C	.	.	H	α-helix	trans	-67.5	-44.6	-176.2	174.7	0	0	0	0	111.2	Y118 V164 S165 T170 H171 M172	Y118-V168 HydrophobicContact CD1-CB 4.16Å; Y118-V168 HydrophobicContact CD1-CG1 3.42Å; Y118-V168 VanDerWaalsContact CD1-CG1 3.42Å; Y118-V168 HydrophobicContact CE1-CB 3.97Å; Y118-V168 HydrophobicContact CE1-CG1 3.77Å; Y118-V168 HydrophobicContact CG-CG1 3.91Å; V164-V168 HydrophobicContact CG1-CG2 3.99Å; V164-V168 WeakPolarHBondContact O-CB 3.48Å; V164-V168 VanDerWaalsContact O-CG2 3.28Å; V164-V168 WeakPolarHBondContact O-CG2 3.39Å; V164-V168 PolarHBondContact O-N 3.15Å; S165-V168 PolarHBondContact O-N 2.97Å; V168-T170 VanDerWaalsContact C-N 3.35Å; V168-H171 WeakPolarHBondContact O-CB 3.38Å; V168-H171 PolarHBondContact O-N 2.81Å; V168-M172 HydrophobicContact CG1-CE 3.47Å; V168-M172 VanDerWaalsContact CG1-CE 3.47Å; V168-M172 HydrophobicContact CG1-SD 4.25Å; V168-M172 WeakPolarHBondContact O-CG 3.23Å; V168-M172 PolarHBondContact O-N 3.25Å
169	L	94.7	Very high	90.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66.3	-38.7	177.3	-65.1	177.3	0	0	0	112.1	T52 L76 F110 I121 F125 L133 S165 M172 A173	T52-L169 HydrophobicContact CG2-CD1 3.45Å; T52-L169 VanDerWaalsContact CG2-CD1 3.45Å; L76-L169 HydrophobicContact CD1-CD1 4.27Å; L76-L169 HydrophobicContact CD1-CD2 4.37Å; F110-L169 HydrophobicContact CE1-CD1 3.96Å; F110-L169 HydrophobicContact CE1-CG 4.47Å; F110-L169 HydrophobicContact CZ-CD1 3.82Å; I121-L169 HydrophobicContact CD1-CD2 4.25Å; I121-L169 HydrophobicContact CG2-CD2 3.62Å; F125-L169 HydrophobicContact CE2-CD2 4.37Å; F125-L169 HydrophobicContact CZ-CD2 4.02Å; L133-L169 HydrophobicContact CD2-CB 4.1Å; S165-L169 VanDerWaalsContact O-CB 3.29Å; S165-L169 WeakPolarHBondContact O-CB 3.26Å; S165-L169 WeakPolarHBondContact O-CG 3.49Å; S165-L169 PolarHBondContact O-N 2.91Å; L169-M172 HydrophobicContact CD2-SD 4.37Å; L169-M172 PolarHBondContact O-N 3.41Å; L169-A173 WeakPolarHBondContact O-CB 3.36Å; L169-A173 PolarHBondContact O-N 2.96Å
170	T	89.9	Confident	90.5	Very high	26 Å²	26	43.6 Å²	43.6	16%	0.16	24%	0.237	C	C	.	.	H	α-helix	trans	-61.5	-46.4	174.4	-66.6	0	0	0	0	110.9	N135 T166 T167 V168 M172 A173 I174 I185	N135-T170 PolarHBondContact ND2-OG1 3.38Å; N135-T170 VanDerWaalsContact ND2-OG1 3.08Å; T166-T170 WeakPolarHBondContact O-CB 3.39Å; T166-T170 PolarHBondContact O-N 3.07Å; T166-T170 PolarHBondContact O-OG1 2.99Å; T167-T170 PolarHBondContact O-N 2.62Å; V168-T170 VanDerWaalsContact C-N 3.35Å; T170-M172 PolarHBondContact O-N 3.43Å; T170-A173 PolarHBondContact O-N 2.91Å; T170-I174 HydrophobicContact CG2-CD1 3.57Å; T170-I174 HydrophobicContact CG2-CG1 4.23Å; T170-I174 WeakPolarHBondContact O-CB 3.4Å; T170-I174 VanDerWaalsContact O-CG1 3.23Å; T170-I174 WeakPolarHBondContact O-CG1 3.44Å; T170-I174 PolarHBondContact O-N 2.87Å; T170-I185 HydrophobicContact CG2-CD1 3.72Å
171	H	90.1	Very high	90.2	Very high	106 Å²	106	50.5 Å²	50.5	49%	0.491	26%	0.264	S	S	.	.	H	α-helix	trans	-56.1	-48.3	174.2	166.9	-93.4	0	0	0	111.8	T167 V168 A173 I174 N175	T167-H171 WeakPolarHBondContact O-CB 3.44Å; T167-H171 PolarHBondContact O-N 2.76Å; V168-H171 WeakPolarHBondContact O-CB 3.38Å; V168-H171 PolarHBondContact O-N 2.81Å; H171-A173 PolarHBondContact O-N 2.77Å; H171-I174 PolarHBondContact O-N 2.91Å; H171-N175 PolarHBondContact CE1-ND2 3.08Å; H171-N175 PolarHBondContact NE2-ND2 2.92Å; H171-N175 VanDerWaalsContact O-CG 3.31Å; H171-N175 PolarHBondContact O-N 2.86Å; H171-N175 VanDerWaalsContact O-N 3.11Å; H171-N175 PolarHBondContact O-ND2 3.05Å
172	M	94.2	Very high	89.8	Confident	16 Å²	16	54.1 Å²	54.1	8%	0.079	28%	0.277	C	S	.	.	H	α-helix	trans	-61.4	-44.5	178.2	-67.7	170.4	-179.2	0	0	112.5	Y118 I121 E122 F125 V168 L169 T170 N175	Y118-M172 HydrophobicContact CD1-CE 4.36Å; Y118-M172 WeakPolarHBondContact O-CE 3.45Å; I121-M172 HydrophobicContact CG2-SD 4.28Å; E122-M172 HydrophobicContact CB-CE 3.93Å; E122-M172 HydrophobicContact CB-CG 4.45Å; E122-M172 HydrophobicContact CB-SD 4Å; E122-M172 HydrophobicContact CG-CG 4.36Å; F125-M172 HydrophobicContact CD2-CB 3.74Å; F125-M172 HydrophobicContact CE2-CB 4.04Å; V168-M172 HydrophobicContact CG1-CE 3.47Å; V168-M172 VanDerWaalsContact CG1-CE 3.47Å; V168-M172 HydrophobicContact CG1-SD 4.25Å; V168-M172 WeakPolarHBondContact O-CG 3.23Å; V168-M172 PolarHBondContact O-N 3.25Å; L169-M172 HydrophobicContact CD2-SD 4.37Å; L169-M172 PolarHBondContact O-N 3.41Å; T170-M172 PolarHBondContact O-N 3.43Å; M172-N175 PolarHBondContact O-N 3.37Å
173	A	89	Confident	89.6	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-66.9	-42.8	178.8	0	0	0	0	0	112.1	F125 L133 L169 T170 H171 N175 Q176 M177	F125-A173 HydrophobicContact CE2-CB 4.48Å; L133-A173 HydrophobicContact CB-CB 4.21Å; L133-A173 HydrophobicContact CD2-CB 3.78Å; L169-A173 WeakPolarHBondContact O-CB 3.36Å; L169-A173 PolarHBondContact O-N 2.96Å; T170-A173 PolarHBondContact O-N 2.91Å; H171-A173 PolarHBondContact O-N 2.77Å; A173-N175 VanDerWaalsContact C-N 3.3Å; A173-N175 PolarHBondContact O-N 2.89Å; A173-Q176 PolarHBondContact O-N 2.85Å; A173-M177 HydrophobicContact CB-CE 4.13Å; A173-M177 HydrophobicContact CB-SD 4.36Å; A173-M177 WeakPolarHBondContact O-CB 3.47Å; A173-M177 VanDerWaalsContact O-CG 3.26Å; A173-M177 WeakPolarHBondContact O-CG 3.49Å; A173-M177 PolarHBondContact O-N 3.32Å
174	I	87.2	Confident	89.6	Confident	70 Å²	70	55.4 Å²	55.4	36%	0.359	29%	0.292	S	S	.	.	H	α-helix	trans	-59.8	-41.1	177.9	-72.2	172.7	0	0	0	111.1	T170 H171 Q176 M177 L178 I185	T170-I174 HydrophobicContact CG2-CD1 3.57Å; T170-I174 HydrophobicContact CG2-CG1 4.23Å; T170-I174 WeakPolarHBondContact O-CB 3.4Å; T170-I174 VanDerWaalsContact O-CG1 3.23Å; T170-I174 WeakPolarHBondContact O-CG1 3.44Å; T170-I174 PolarHBondContact O-N 2.87Å; H171-I174 PolarHBondContact O-N 2.91Å; I174-Q176 PolarHBondContact O-N 2.81Å; I174-Q176 VanDerWaalsContact O-N 3.14Å; I174-M177 PolarHBondContact O-N 3.05Å; I174-M177 VanDerWaalsContact O-N 3.12Å; I174-L178 HydrophobicContact CG2-CB 4.36Å; I174-L178 VanDerWaalsContact O-CB 3.29Å; I174-L178 WeakPolarHBondContact O-CB 3.32Å; I174-L178 PolarHBondContact O-N 2.94Å; I174-I185 HydrophobicContact CD1-CD1 4.03Å; I174-I185 HydrophobicContact CG1-CD1 3.6Å
175	N	89	Confident	89.4	Confident	85 Å²	85	55.7 Å²	55.7	46%	0.455	29%	0.291	S	S	.	.	H	α-helix	trans	-58.7	-28.2	177.8	-73	-19.5	0	0	0	112.5	H171 M172 A173 P179	H171-N175 PolarHBondContact CE1-ND2 3.08Å; H171-N175 PolarHBondContact NE2-ND2 2.92Å; H171-N175 VanDerWaalsContact O-CG 3.31Å; H171-N175 PolarHBondContact O-N 2.86Å; H171-N175 VanDerWaalsContact O-N 3.11Å; H171-N175 PolarHBondContact O-ND2 3.05Å; M172-N175 PolarHBondContact O-N 3.37Å; A173-N175 VanDerWaalsContact C-N 3.3Å; A173-N175 PolarHBondContact O-N 2.89Å; N175-P179 VanDerWaalsContact O-CD 3.31Å; N175-P179 WeakPolarHBondContact O-CD 3.11Å
176	Q	88.4	Confident	89.1	Confident	34 Å²	34	56.7 Å²	56.7	16%	0.159	30%	0.298	C	S	.	.	H	α-helix	trans	-88.4	-36.8	174.1	-166.4	-178.3	73.6	0	0	113.3	F125 I128 I130 A173 I174 K180	F125-Q176 PolarHBondContact O-NE2 3.26Å; I128-Q176 PolarHBondContact O-NE2 3.48Å; I128-Q176 PolarHBondContact O-OE1 2.71Å; I130-Q176 VanDerWaalsContact CB-OE1 3.24Å; I130-Q176 VanDerWaalsContact CG1-OE1 3.26Å; A173-Q176 PolarHBondContact O-N 2.85Å; I174-Q176 PolarHBondContact O-N 2.81Å; I174-Q176 VanDerWaalsContact O-N 3.14Å; Q176-K180 WeakPolarHBondContact O-CD 3.27Å; Q176-K180 WeakPolarHBondContact O-CG 3.35Å
177	M	88	Confident	89	Confident	14 Å²	14	58.2 Å²	58.2	7%	0.069	31%	0.305	C	S	.	.	H	α-helix	trans	-74.9	-39.3	-176.4	-70.2	173.7	177	0	0	113.1	I130 L133 A173 I174 K180 K181 R182 I185	I130-M177 HydrophobicContact CG2-CE 3.8Å; L133-M177 HydrophobicContact CB-CE 4.48Å; A173-M177 HydrophobicContact CB-CE 4.13Å; A173-M177 HydrophobicContact CB-SD 4.36Å; A173-M177 WeakPolarHBondContact O-CB 3.47Å; A173-M177 VanDerWaalsContact O-CG 3.26Å; A173-M177 WeakPolarHBondContact O-CG 3.49Å; A173-M177 PolarHBondContact O-N 3.32Å; I174-M177 PolarHBondContact O-N 3.05Å; I174-M177 VanDerWaalsContact O-N 3.12Å; M177-K180 CarbonylContact O-C 3.5Å; M177-K180 PolarHBondContact O-N 3.12Å; M177-K180 VanDerWaalsContact O-N 3.17Å; M177-K181 PolarHBondContact O-N 3.25Å; M177-R182 WeakPolarHBondContact CA-O 3.17Å; M177-R182 VanDerWaalsContact CB-O 3.28Å; M177-R182 WeakPolarHBondContact CB-O 3.41Å; M177-R182 PolarHBondContact O-N 2.69Å; M177-I185 HydrophobicContact CE-CG1 4.43Å; M177-I185 HydrophobicContact SD-CD1 4.33Å; M177-I185 HydrophobicContact SD-CG1 4.03Å
178	L	83.7	Confident	88.8	Confident	126 Å²	126	54.6 Å²	54.6	66%	0.66	28%	0.283	S	S	*	.	H	α-helix	trans	-62.4	-47.2	-172.7	-175.3	69.5	0	0	0	113	I174 K180 K181	I174-L178 HydrophobicContact CG2-CB 4.36Å; I174-L178 VanDerWaalsContact O-CB 3.29Å; I174-L178 WeakPolarHBondContact O-CB 3.32Å; I174-L178 PolarHBondContact O-N 2.94Å; L178-K180 PolarHBondContact O-N 2.81Å; L178-K181 PolarHBondContact O-N 3.06Å; L178-K181 VanDerWaalsContact O-N 3.13Å
179	P	88.7	Confident	88	Confident	101 Å²	101	52.8 Å²	52.8	66%	0.656	27%	0.272	S	S	*	.	H	α-helix	trans	-62.2	-32.4	175.8	-22.7	34.9	0	0	0	113	N175 K181	N175-P179 VanDerWaalsContact O-CD 3.31Å; N175-P179 WeakPolarHBondContact O-CD 3.11Å; P179-K181 VanDerWaalsContact C-N 3.32Å
180	K	88.5	Confident	87.1	Confident	85 Å²	85	53.4 Å²	53.4	37%	0.37	28%	0.277	S	S	.	.	H	α-helix	trans	-81.9	-12.3	179.8	-58.5	175.6	-175.6	175.4	0	112.5	D129 Q176 M177 L178 R182	D129-K180 IonicContact OD1-NZ 2.8Å; D129-K180 PolarHBondContact OD1-NZ 3.3Å; Q176-K180 WeakPolarHBondContact O-CD 3.27Å; Q176-K180 WeakPolarHBondContact O-CG 3.35Å; M177-K180 CarbonylContact O-C 3.5Å; M177-K180 PolarHBondContact O-N 3.12Å; M177-K180 VanDerWaalsContact O-N 3.17Å; L178-K180 PolarHBondContact O-N 2.81Å; K180-R182 HydrophobicContact CB-CG 3.76Å; K180-R182 PolarHBondContact O-N 2.85Å
181	K	88	Confident	85.9	Confident	195 Å²	195	55 Å²	55	85%	0.848	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	32.6	-175.5	-58.6	-177.3	179.2	179.7	0	113.3	M177 L178 P179	M177-K181 PolarHBondContact O-N 3.25Å; L178-K181 PolarHBondContact O-N 3.06Å; L178-K181 VanDerWaalsContact O-N 3.13Å; P179-K181 VanDerWaalsContact C-N 3.32Å
182	R	85.5	Confident	84.9	Confident	83 Å²	83	51.9 Å²	51.9	31%	0.313	28%	0.275	S	S	.	.			trans	-151.8	147.7	-179.9	63.2	177.6	-174	129.8	9.9	109.9	K44 L45 G46 D129 M177 K180	K44-R182 WeakPolarHBondContact O-CD 3.33Å; K44-R182 PolarHBondContact O-NH1 3.33Å; K44-R182 VanDerWaalsContact O-NH1 3.09Å; L45-R182 WeakPolarHBondContact O-CD 3.32Å; L45-R182 WeakPolarHBondContact O-CG 3.2Å; L45-R182 PolarHBondContact O-NH1 3.32Å; G46-R182 VanDerWaalsContact CA-NH1 3.32Å; D129-R182 IonicContact OD1-NH2 3.27Å; D129-R182 PolarHBondContact OD1-NH2 2.77Å; D129-R182 IonicContact OD2-CZ 3.54Å; D129-R182 IonicContact OD2-NH1 3.42Å; D129-R182 IonicContact OD2-NH2 3.88Å; D129-R182 PolarHBondContact OD2-NH2 3.33Å; M177-R182 WeakPolarHBondContact CA-O 3.17Å; M177-R182 VanDerWaalsContact CB-O 3.28Å; M177-R182 WeakPolarHBondContact CB-O 3.41Å; M177-R182 PolarHBondContact O-N 2.69Å; K180-R182 HydrophobicContact CB-CG 3.76Å; K180-R182 PolarHBondContact O-N 2.85Å
183	G	87.8	Confident	83.3	Confident	30 Å²	30	51.5 Å²	51.5	31%	0.309	28%	0.275	S	S	.	.			trans	145.8	155.6	-178.1	0	0	0	0	0	111.1	G131	G131-G183 CarbonylContact O-C 3.59Å; G131-G183 VanDerWaalsContact O-CA 3.32Å; G131-G183 WeakPolarHBondContact O-CA 3.19Å
184	A	88.7	Confident	82.1	Confident	17 Å²	17	53.4 Å²	53.4	14%	0.14	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	140.9	172.2	0	0	0	0	0	110.7	L45 G131 V132 L133 I242	L45-A184 HydrophobicContact CD1-CB 3.72Å; G131-A184 PolarHBondContact O-N 2.93Å; V132-A184 CarbonylContact C-O 3.53Å; V132-A184 VanDerWaalsContact CA-O 3.31Å; V132-A184 WeakPolarHBondContact CA-O 3.49Å; L133-A184 PolarHBondContact N-O 3.01Å; A184-I242 HydrophobicContact CB-CG2 3.92Å
185	I	87.5	Confident	81.3	Confident	57 Å²	57	57 Å²	57	29%	0.292	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	120.6	175.2	-55.5	-175.7	0	0	0	107.5	L133 T170 I174 M177	L133-I185 HydrophobicContact CB-CG1 4.49Å; L133-I185 HydrophobicContact CD2-CG2 4.37Å; L133-I185 CarbonylContact O-C 3.47Å; L133-I185 WeakPolarHBondContact O-CA 3.29Å; T170-I185 HydrophobicContact CG2-CD1 3.72Å; I174-I185 HydrophobicContact CD1-CD1 4.03Å; I174-I185 HydrophobicContact CG1-CD1 3.6Å; M177-I185 HydrophobicContact CE-CG1 4.43Å; M177-I185 HydrophobicContact SD-CD1 4.33Å; M177-I185 HydrophobicContact SD-CG1 4.03Å
186	V	89.9	Confident	80.2	Confident	22 Å²	22	57.6 Å²	57.6	13%	0.133	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	113.9	179.2	-178.6	0	0	0	0	107.5	Y62 V132 L133 V134 N135 I188 I242	Y62-V186 HydrophobicContact CE1-CG1 3.96Å; V132-V186 HydrophobicContact CG1-CG2 4.24Å; L133-V186 PolarHBondContact O-N 3.4Å; V134-V186 CarbonylContact C-O 3.51Å; V134-V186 WeakPolarHBondContact CA-O 3.44Å; V134-V186 HydrophobicContact CG1-CB 4.36Å; V134-V186 HydrophobicContact CG1-CG1 4.33Å; V134-V186 HydrophobicContact CG2-CB 4.22Å; N135-V186 PolarHBondContact N-O 2.9Å; V186-I188 HydrophobicContact CG1-CD1 3.99Å; V186-I242 HydrophobicContact CG2-CD1 4.04Å; V186-I242 HydrophobicContact CG2-CG1 4.35Å
187	N	86.7	Confident	79.5	Confident	35 Å²	35	58.5 Å²	58.5	19%	0.187	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122.5	177.5	-68.5	-29.6	0	0	0	109.3	N135 S189 P211	N135-N187 WeakPolarHBondContact CB-OD1 3.38Å; N135-N187 PolarHBondContact ND2-OD1 3.44Å; N187-S189 PolarHBondContact O-N 3.42Å; N187-P211 HydrophobicContact CB-CG 4.32Å; N187-P211 WeakPolarHBondContact ND2-CD 3.35Å
188	I	84.8	Confident	79	Confident	6 Å²	6	60.6 Å²	60.6	3%	0.031	34%	0.338	C	S	.	.			trans	-89.2	109.3	179	-59	-52.1	0	0	0	108.9	Y62 V134 N135 N136 V186 K207 V214	Y62-I188 HydrophobicContact CD2-CD1 4.39Å; Y62-I188 HydrophobicContact CE2-CD1 3.59Å; V134-I188 HydrophobicContact CG1-CD1 4.36Å; V134-I188 HydrophobicContact CG1-CG1 4.2Å; N135-I188 WeakPolarHBondContact O-CB 3.49Å; N135-I188 PolarHBondContact O-N 3.32Å; N136-I188 HydrophobicContact CB-CB 4.24Å; N136-I188 HydrophobicContact CB-CG1 3.6Å; V186-I188 HydrophobicContact CG1-CD1 3.99Å; I188-K207 PolarHBondContact O-NZ 3.39Å; I188-V214 HydrophobicContact CB-CB 4.49Å; I188-V214 HydrophobicContact CB-CG2 3.76Å; I188-V214 HydrophobicContact CD1-CG2 3.75Å; I188-V214 HydrophobicContact CG1-CG2 4.27Å; I188-V214 HydrophobicContact CG2-CB 3.55Å; I188-V214 HydrophobicContact CG2-CG1 3.73Å; I188-V214 HydrophobicContact CG2-CG2 3.34Å
189	S	77.9	Confident	78.8	Confident	1 Å²	1	59 Å²	59	1%	0.007	33%	0.326	C	S	.	.			trans	-109.3	-157.8	180	-173.1	0	0	0	0	112.8	N187 K207 S210 F212 V214	N187-S189 PolarHBondContact O-N 3.42Å; S189-K207 PolarHBondContact OG-O 3.15Å; S189-S210 WeakPolarHBondContact CB-O 3.12Å; S189-S210 PolarHBondContact OG-O 3.27Å; S189-F212 PolarHBondContact OG-N 2.84Å; S189-V214 VanDerWaalsContact C-N 3.32Å; S189-V214 WeakPolarHBondContact O-CA 3.39Å; S189-V214 WeakPolarHBondContact O-CB 3.5Å; S189-V214 PolarHBondContact O-N 2.88Å
190	S	76	Confident	78.4	Confident	13 Å²	13	55.8 Å²	55.8	9%	0.091	30%	0.303	C	S	.	.			trans	-145.9	153.9	-177.8	-172.6	0	0	0	0	110.1	L192 A193 Y203	S190-L192 PolarHBondContact O-N 3.31Å; S190-A193 WeakPolarHBondContact O-CB 3.17Å; S190-A193 PolarHBondContact O-N 2.94Å; S190-A193 VanDerWaalsContact O-N 3.09Å; S190-Y203 WeakPolarHBondContact CB-OH 3.38Å
191	S	65.6	Low	77.8	Confident	60 Å²	60	54.5 Å²	54.5	42%	0.42	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-60.7	-24.3	173.8	50	0	0	0	0	113.2	A193 S194 F195	S191-A193 PolarHBondContact O-N 3.48Å; S191-S194 PolarHBondContact O-N 3.11Å; S191-F195 PolarHBondContact O-N 2.89Å; S191-F195 VanDerWaalsContact O-N 3.14Å
192	L	67.6	Low	77.4	Confident	39 Å²	39	45.8 Å²	45.8	20%	0.204	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-66.3	-14.1	175.4	-65.8	174.1	0	0	0	113.6	S190 S194 F195 P196 T197 L200 Y203 S204	S190-L192 PolarHBondContact O-N 3.31Å; L192-S194 VanDerWaalsContact C-N 3.33Å; L192-F195 CarbonylContact O-C 3.25Å; L192-P196 WeakPolarHBondContact O-CA 3.45Å; L192-T197 HydrophobicContact CD2-CG2 3.94Å; L192-L200 HydrophobicContact CD1-CD1 3.39Å; L192-Y203 HydrophobicContact CB-CD1 4.45Å; L192-Y203 HydrophobicContact CB-CE1 4.38Å; L192-Y203 HydrophobicContact CD1-CD1 3.93Å; L192-Y203 HydrophobicContact CD1-CE1 3.87Å; L192-S204 VanDerWaalsContact O-CB 3.25Å; L192-S204 WeakPolarHBondContact O-CB 3.33Å; L192-S204 PolarHBondContact O-OG 3.49Å
193	A	60.2	Low	77.2	Confident	9 Å²	9	42.2 Å²	42.2	7%	0.074	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-67.4	-35	169	0	0	0	0	0	111.9	S190 S191 K207 F212	S190-A193 WeakPolarHBondContact O-CB 3.17Å; S190-A193 PolarHBondContact O-N 2.94Å; S190-A193 VanDerWaalsContact O-N 3.09Å; S191-A193 PolarHBondContact O-N 3.48Å; A193-K207 HydrophobicContact CB-CB 3.97Å; A193-K207 WeakPolarHBondContact CB-O 3.47Å; A193-F212 HydrophobicContact CB-CD1 4.06Å; A193-F212 HydrophobicContact CB-CE1 4.13Å
194	S	64.4	Low	76.6	Confident	40 Å²	40	40.9 Å²	40.9	28%	0.28	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-37.6	178.9	-50.2	0	0	0	0	112.4	S191 L192 P196 F212 Y213	S191-S194 PolarHBondContact O-N 3.11Å; L192-S194 VanDerWaalsContact C-N 3.33Å; S194-P196 VanDerWaalsContact C-CD 3.43Å; S194-P196 WeakPolarHBondContact O-CD 3.23Å; S194-F212 WeakPolarHBondContact OG-CD1 3.12Å; S194-F212 WeakPolarHBondContact OG-CE1 3.23Å; S194-Y213 PolarHBondContact OG-OH 3.05Å
195	F	70.8	Confident	75.8	Confident	145 Å²	145	42.9 Å²	42.9	64%	0.636	26%	0.256	S	S	*	.	S	Bend	trans	-114.1	76.3	179.5	-57.3	-76.7	0	0	0	109.1	S191 L192 T197	S191-F195 PolarHBondContact O-N 2.89Å; S191-F195 VanDerWaalsContact O-N 3.14Å; L192-F195 CarbonylContact O-C 3.25Å; F195-T197 PolarHBondContact O-N 2.79Å
196	P	65.4	Low	75.2	Confident	98 Å²	98	40.4 Å²	40.4	64%	0.636	24%	0.243	S	C	*	.			trans	-60.5	134.4	179.7	25.8	-33.9	0	0	0	109.5	L192 S194	L192-P196 WeakPolarHBondContact O-CA 3.45Å; S194-P196 VanDerWaalsContact C-CD 3.43Å; S194-P196 WeakPolarHBondContact O-CD 3.23Å
197	T	74.6	Confident	74.6	Confident	52 Å²	52	39.5 Å²	39.5	32%	0.319	24%	0.238	S	C	.	.			trans	-113.5	138.8	177.3	57.8	0	0	0	0	109.2	L192 F195 F199 L200 T201	L192-T197 HydrophobicContact CD2-CG2 3.94Å; F195-T197 PolarHBondContact O-N 2.79Å; T197-F199 PolarHBondContact O-N 3Å; T197-F199 VanDerWaalsContact O-N 3.09Å; T197-L200 CarbonylContact O-C 3.58Å; T197-L200 PolarHBondContact O-N 3.22Å; T197-T201 PolarHBondContact O-N 3.35Å
198	A	76.4	Confident	73.5	Confident	59 Å²	59	41.5 Å²	41.5	49%	0.488	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-56.1	-31.3	-177.1	0	0	0	0	0	112.8	T201	A198-T201 PolarHBondContact O-OG1 2.96Å
199	F	80	Confident	72.2	Confident	93 Å²	93	44.4 Å²	44.4	41%	0.408	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-86.6	-0.8	-177.9	-52.5	-75.9	0	0	0	115.1	Y141 P144 E145 Y146 T197	Y141-F199 WeakPolarHBondContact CD1-O 3.2Å; Y141-F199 WeakPolarHBondContact CE1-O 3.39Å; P144-F199 HydrophobicContact CB-CB 3.53Å; P144-F199 HydrophobicContact CB-CG 4.24Å; E145-F199 PolarHBondContact N-O 3.4Å; E145-F199 CarbonylContact O-C 3.57Å; E145-F199 VanDerWaalsContact O-C 3.25Å; E145-F199 WeakPolarHBondContact O-CA 3.44Å; Y146-F199 HydrophobicContact CD1-CD1 4.38Å; Y146-F199 HydrophobicContact CD1-CE1 4.34Å; Y146-F199 HydrophobicContact CE1-CD1 4.11Å; Y146-F199 AromaticContact CE1-CE1 3.65Å; Y146-F199 HydrophobicContact CE1-CE1 3.65Å; Y146-F199 HydrophobicContact CE1-CZ 4.39Å; Y146-F199 HydrophobicContact CE2-CD1 4.43Å; Y146-F199 AromaticContact CE2-CE1 3.88Å; Y146-F199 HydrophobicContact CE2-CE1 3.88Å; Y146-F199 AromaticContact CZ-CE1 3.39Å; Y146-F199 WeakPolarHBondContact OH-CE1 3.48Å; T197-F199 PolarHBondContact O-N 3Å; T197-F199 VanDerWaalsContact O-N 3.09Å
200	L	80.3	Confident	71.1	Confident	33 Å²	33	44.4 Å²	44.4	17%	0.173	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-138.1	36.6	176.2	-64.5	172.8	0	0	0	110.1	Y141 L192 T197 A202 Y203 S204	Y141-L200 HydrophobicContact CD1-CD2 3.66Å; Y141-L200 HydrophobicContact CD2-CD2 4.21Å; Y141-L200 HydrophobicContact CE1-CD2 4.31Å; Y141-L200 HydrophobicContact CG-CD2 3.57Å; L192-L200 HydrophobicContact CD1-CD1 3.39Å; T197-L200 CarbonylContact O-C 3.58Å; T197-L200 PolarHBondContact O-N 3.22Å; L200-A202 PolarHBondContact O-N 3.05Å; L200-Y203 PolarHBondContact O-N 2.93Å; L200-S204 WeakPolarHBondContact O-CB 3.4Å; L200-S204 PolarHBondContact O-N 2.88Å; L200-S204 PolarHBondContact O-OG 2.95Å
201	T	76.2	Confident	69.1	Low	57 Å²	57	46.7 Å²	46.7	35%	0.35	29%	0.286	S	S	.	.	H	α-helix	trans	-59.3	-52.7	-167.9	-62.1	0	0	0	0	112.4	T197 A198 Y203 S204 A205	T197-T201 PolarHBondContact O-N 3.35Å; A198-T201 PolarHBondContact O-OG1 2.96Å; T201-Y203 VanDerWaalsContact C-N 3.33Å; T201-Y203 PolarHBondContact O-N 3.21Å; T201-S204 PolarHBondContact O-N 3.32Å; T201-A205 WeakPolarHBondContact O-CB 3.48Å; T201-A205 PolarHBondContact O-N 3.37Å
202	A	78.9	Confident	67.6	Low	13 Å²	13	48.6 Å²	48.6	11%	0.107	29%	0.287	C	S	.	.	H	α-helix	trans	-66.4	-35.6	-179.2	0	0	0	0	0	112.2	Y141 L147 L155 L158 L200 S206	Y141-A202 HydrophobicContact CE2-CB 4.23Å; Y141-A202 WeakPolarHBondContact OH-CB 3.46Å; Y141-A202 PolarHBondContact OH-N 2.74Å; L147-A202 HydrophobicContact CD1-CB 3.96Å; L155-A202 HydrophobicContact CD1-CB 3.34Å; L158-A202 HydrophobicContact CD2-CB 4.24Å; L200-A202 PolarHBondContact O-N 3.05Å; A202-S206 VanDerWaalsContact O-CB 3.31Å; A202-S206 WeakPolarHBondContact O-CB 3.29Å; A202-S206 PolarHBondContact O-N 2.95Å; A202-S206 PolarHBondContact O-OG 2.83Å
203	Y	81.5	Confident	66	Low	7 Å²	7	49 Å²	49	3%	0.027	29%	0.286	C	S	.	.	H	α-helix	trans	-64.3	-47.6	174.7	177.9	-101.7	0	0	0	111.4	M139 C140 L158 S190 L192 L200 T201 A205 S206 K207 M218	M139-Y203 WeakPolarHBondContact O-CD2 3.33Å; M139-Y203 VanDerWaalsContact O-CE2 3.27Å; M139-Y203 WeakPolarHBondContact O-CE2 3.15Å; C140-Y203 HydrophobicContact CB-CD2 3.71Å; C140-Y203 HydrophobicContact CB-CE2 3.64Å; C140-Y203 HydrophobicContact CB-CG 4.23Å; L158-Y203 HydrophobicContact CD1-CD2 4.47Å; S190-Y203 WeakPolarHBondContact CB-OH 3.38Å; L192-Y203 HydrophobicContact CB-CD1 4.45Å; L192-Y203 HydrophobicContact CB-CE1 4.38Å; L192-Y203 HydrophobicContact CD1-CD1 3.93Å; L192-Y203 HydrophobicContact CD1-CE1 3.87Å; L200-Y203 PolarHBondContact O-N 2.93Å; T201-Y203 VanDerWaalsContact C-N 3.33Å; T201-Y203 PolarHBondContact O-N 3.21Å; Y203-A205 VanDerWaalsContact C-N 3.34Å; Y203-A205 PolarHBondContact O-N 3.4Å; Y203-S206 PolarHBondContact O-N 2.58Å; Y203-S206 VanDerWaalsContact O-N 3.15Å; Y203-S206 PolarHBondContact O-OG 2.97Å; Y203-K207 HydrophobicContact CD1-CG 4.48Å; Y203-K207 HydrophobicContact CD2-CG 4.43Å; Y203-K207 HydrophobicContact CE1-CG 3.95Å; Y203-K207 HydrophobicContact CE2-CD 4.4Å; Y203-K207 HydrophobicContact CE2-CG 3.92Å; Y203-K207 PolarHBondContact O-N 2.88Å; Y203-K207 WeakPolarHBondContact OH-CE 3.31Å; Y203-M218 HydrophobicContact CE2-CE 4.31Å; Y203-M218 HydrophobicContact CE2-SD 4.08Å; Y203-M218 WeakPolarHBondContact OH-CE 3.25Å
204	S	75.1	Confident	64.8	Low	2 Å²	2	49.1 Å²	49.1	1%	0.014	29%	0.286	C	S	.	.	H	α-helix	trans	-57.3	-48	177.4	-54.4	0	0	0	0	110.6	L192 L200 T201 S206 K207 C208	L192-S204 VanDerWaalsContact O-CB 3.25Å; L192-S204 WeakPolarHBondContact O-CB 3.33Å; L192-S204 PolarHBondContact O-OG 3.49Å; L200-S204 WeakPolarHBondContact O-CB 3.4Å; L200-S204 PolarHBondContact O-N 2.88Å; L200-S204 PolarHBondContact O-OG 2.95Å; T201-S204 PolarHBondContact O-N 3.32Å; S204-S206 PolarHBondContact O-N 3.49Å; S204-K207 PolarHBondContact O-N 3.49Å; S204-C208 PolarHBondContact O-N 2.93Å; S204-C208 PolarHBondContact O-SG 3.44Å; S204-C208 VanDerWaalsContact O-SG 3.34Å
205	A	72.8	Confident	63.4	Low	60 Å²	60	49.8 Å²	49.8	50%	0.496	29%	0.288	S	S	.	.	H	α-helix	trans	-61.1	-42.6	175.3	0	0	0	0	0	112.5	T201 Y203 K207 C208	T201-A205 WeakPolarHBondContact O-CB 3.48Å; T201-A205 PolarHBondContact O-N 3.37Å; Y203-A205 VanDerWaalsContact C-N 3.34Å; Y203-A205 PolarHBondContact O-N 3.4Å; A205-K207 PolarHBondContact O-N 2.92Å; A205-C208 WeakPolarHBondContact O-CB 3.48Å; A205-C208 PolarHBondContact O-N 2.87Å
206	S	74.8	Confident	62.3	Low	4 Å²	4	44.1 Å²	44.1	3%	0.028	27%	0.266	C	S	.	.	H	α-helix	trans	-64.1	-32.8	179	77.4	0	0	0	0	112.6	N162 C163 A202 Y203 S204 C208 V209	N162-S206 PolarHBondContact ND2-OG 3.33Å; C163-S206 WeakPolarHBondContact SG-CA 3.16Å; C163-S206 VanDerWaalsContact SG-CB 3.52Å; A202-S206 VanDerWaalsContact O-CB 3.31Å; A202-S206 WeakPolarHBondContact O-CB 3.29Å; A202-S206 PolarHBondContact O-N 2.95Å; A202-S206 PolarHBondContact O-OG 2.83Å; Y203-S206 PolarHBondContact O-N 2.58Å; Y203-S206 VanDerWaalsContact O-N 3.15Å; Y203-S206 PolarHBondContact O-OG 2.97Å; S204-S206 PolarHBondContact O-N 3.49Å; S206-C208 VanDerWaalsContact C-N 3.31Å; S206-V209 WeakPolarHBondContact O-CB 3.47Å; S206-V209 PolarHBondContact O-N 2.85Å
207	K	77.3	Confident	61.3	Low	3 Å²	3	46.1 Å²	46.1	1%	0.013	27%	0.265	C	S	.	.	H	α-helix	trans	-80.7	-6.7	175.2	-70	-52.2	-160.9	177.8	0	113.1	I188 S189 A193 Y203 S204 A205 V209 S210	I188-K207 PolarHBondContact O-NZ 3.39Å; S189-K207 PolarHBondContact OG-O 3.15Å; A193-K207 HydrophobicContact CB-CB 3.97Å; A193-K207 WeakPolarHBondContact CB-O 3.47Å; Y203-K207 HydrophobicContact CD1-CG 4.48Å; Y203-K207 HydrophobicContact CD2-CG 4.43Å; Y203-K207 HydrophobicContact CE1-CG 3.95Å; Y203-K207 HydrophobicContact CE2-CD 4.4Å; Y203-K207 HydrophobicContact CE2-CG 3.92Å; Y203-K207 PolarHBondContact O-N 2.88Å; Y203-K207 WeakPolarHBondContact OH-CE 3.31Å; S204-K207 PolarHBondContact O-N 3.49Å; A205-K207 PolarHBondContact O-N 2.92Å; K207-V209 VanDerWaalsContact C-N 3.31Å; K207-S210 CarbonylContact O-C 3.59Å
208	C	63.5	Low	60	Low	78 Å²	78	46.6 Å²	46.6	53%	0.527	26%	0.264	S	S	.	.	H	α-helix	trans	-73.9	-24.5	165.2	-62.5	0	0	0	0	112.3	S204 A205 S206 S210	S204-C208 PolarHBondContact O-N 2.93Å; S204-C208 PolarHBondContact O-SG 3.44Å; S204-C208 VanDerWaalsContact O-SG 3.34Å; A205-C208 WeakPolarHBondContact O-CB 3.48Å; A205-C208 PolarHBondContact O-N 2.87Å; S206-C208 VanDerWaalsContact C-N 3.31Å; C208-S210 VanDerWaalsContact C-N 3.29Å
209	V	57.6	Low	58.6	Low	66 Å²	66	46.4 Å²	46.4	40%	0.4	26%	0.26	S	S	.	.	S	Bend	trans	-70.8	-27.8	175.5	-178.6	0	0	0	0	111.5	C163 S206 K207	C163-V209 HydrophobicContact CB-CB 4.41Å; C163-V209 HydrophobicContact CB-CG1 4.29Å; C163-V209 HydrophobicContact CB-CG2 4.14Å; S206-V209 WeakPolarHBondContact O-CB 3.47Å; S206-V209 PolarHBondContact O-N 2.85Å; K207-V209 VanDerWaalsContact C-N 3.31Å
210	S	53.3	Low	57.3	Low	2 Å²	2	49.9 Å²	49.9	1%	0.014	27%	0.274	C	S	.	.	S	Bend	trans	-97.3	111.2	170	-56	0	0	0	0	108.5	S189 K207 C208 F212	S189-S210 WeakPolarHBondContact CB-O 3.12Å; S189-S210 PolarHBondContact OG-O 3.27Å; K207-S210 CarbonylContact O-C 3.59Å; C208-S210 VanDerWaalsContact C-N 3.29Å; S210-F212 PolarHBondContact O-N 3.02Å
211	P	35.4	Very low	56	Low	60 Å²	60	52.8 Å²	52.8	39%	0.39	29%	0.289	S	S	.	.			trans	-58	113.5	-179.7	21.8	-31.8	0	0	0	110.8	N187	N187-P211 HydrophobicContact CB-CG 4.32Å; N187-P211 WeakPolarHBondContact ND2-CD 3.35Å
212	F	33.8	Very low	55	Low	100 Å²	100	61.7 Å²	61.7	44%	0.439	32%	0.316	S	S	.	.	S	Bend	trans	35.8	141.7	161.8	-57.9	-73.1	0	0	0	123.5	S189 A193 S194 S210	S189-F212 PolarHBondContact OG-N 2.84Å; A193-F212 HydrophobicContact CB-CD1 4.06Å; A193-F212 HydrophobicContact CB-CE1 4.13Å; S194-F212 WeakPolarHBondContact OG-CD1 3.12Å; S194-F212 WeakPolarHBondContact OG-CE1 3.23Å; S210-F212 PolarHBondContact O-N 3.02Å
213	Y	33.5	Very low	54.4	Low	47 Å²	47	69.6 Å²	69.6	18%	0.184	35%	0.348	C	S	.	.			trans	51	116	169.4	-55.3	-67.9	0	0	0	121.7	S194 Y234 N249 V258	S194-Y213 PolarHBondContact OG-OH 3.05Å; Y213-Y234 PolarHBondContact O-OH 3.46Å; Y213-N249 WeakPolarHBondContact CD2-OD1 3.14Å; Y213-N249 VanDerWaalsContact CE2-OD1 3.29Å; Y213-N249 WeakPolarHBondContact CE2-OD1 3.36Å; Y213-V258 HydrophobicContact CD1-CG2 4.49Å; Y213-V258 HydrophobicContact CE1-CG2 3.86Å; Y213-V258 HydrophobicContact CE2-CG1 4.28Å; Y213-V258 HydrophobicContact CE2-CG2 3.91Å
214	V	35.3	Very low	53.6	Low	12 Å²	12	73.1 Å²	73.1	7%	0.073	37%	0.372	C	S	.	.			trans	-157	144.9	151.2	-174.6	0	0	0	0	111.5	I58 I188 S189 Y234	I58-V214 HydrophobicContact CD1-CB 4.49Å; I58-V214 HydrophobicContact CD1-CG1 3.13Å; I58-V214 HydrophobicContact CG1-CG1 4.47Å; I58-V214 HydrophobicContact CG2-CG1 4.38Å; I188-V214 HydrophobicContact CB-CB 4.49Å; I188-V214 HydrophobicContact CB-CG2 3.76Å; I188-V214 HydrophobicContact CD1-CG2 3.75Å; I188-V214 HydrophobicContact CG1-CG2 4.27Å; I188-V214 HydrophobicContact CG2-CB 3.55Å; I188-V214 HydrophobicContact CG2-CG1 3.73Å; I188-V214 HydrophobicContact CG2-CG2 3.34Å; S189-V214 VanDerWaalsContact C-N 3.32Å; S189-V214 WeakPolarHBondContact O-CA 3.39Å; S189-V214 WeakPolarHBondContact O-CB 3.5Å; S189-V214 PolarHBondContact O-N 2.88Å; V214-Y234 HydrophobicContact CB-CE1 4.45Å; V214-Y234 HydrophobicContact CG1-CD1 4.29Å; V214-Y234 HydrophobicContact CG1-CE1 3.54Å; V214-Y234 HydrophobicContact CG1-CE2 4.41Å; V214-Y234 HydrophobicContact CG2-CE1 4.3Å; V214-Y234 WeakPolarHBondContact CG2-OH 3.3Å
215	V	35.4	Very low	53.4	Low	54 Å²	54	75.8 Å²	75.8	33%	0.327	39%	0.391	S	S	.	.			trans	-96.4	119.1	172.7	173.1	0	0	0	0	110.8	I58 H254	I58-V215 WeakPolarHBondContact CD1-O 3.34Å; V215-H254 VanDerWaalsContact CG2-CE1 3.45Å; V215-H254 WeakPolarHBondContact CG2-CE1 3.36Å
216	S	47.6	Very low	53.2	Low	26 Å²	26	79.5 Å²	79.5	18%	0.182	40%	0.396	C	S	.	.			trans	-123.2	175.2	-175.2	79	0	0	0	0	114.8	M218 S219	S216-M218 PolarHBondContact O-N 3.14Å; S216-M218 WeakPolarHBondContact OG-CB 3.39Å; S216-M218 WeakPolarHBondContact OG-CE 3.28Å; S216-M218 WeakPolarHBondContact OG-CG 3.15Å; S216-M218 PolarHBondContact OG-N 3.29Å; S216-M218 VanDerWaalsContact OG-N 3.11Å; S216-S219 WeakPolarHBondContact O-CB 3.42Å; S216-S219 PolarHBondContact O-N 3.42Å; S216-S219 PolarHBondContact O-OG 3.11Å
217	K	43.1	Very low	52.8	Low	140 Å²	140	83.6 Å²	83.6	61%	0.609	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-53.2	-18.5	169.5	-82.3	-170	177.2	-178.8	0	113.3	D56 S219 K220	D56-K217 IonicContact OD2-NZ 3.57Å; D56-K217 PolarHBondContact OD2-NZ 3.15Å; K217-S219 PolarHBondContact O-N 3.35Å; K217-K220 PolarHBondContact O-N 3.43Å
218	M	47.7	Very low	52.3	Low	62 Å²	62	86 Å²	86	31%	0.305	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-59.6	-26.6	173.2	-61.5	-176.2	-79.8	0	0	112.3	C140 Y203 S216 K220	C140-M218 HydrophobicContact CB-CB 4.44Å; C140-M218 HydrophobicContact CB-CG 4.25Å; C140-M218 HydrophobicContact CB-SD 3.52Å; C140-M218 VanDerWaalsContact CB-SD 3.52Å; C140-M218 VanDerWaalsContact SG-CG 3.58Å; C140-M218 VanDerWaalsContact SG-SD 3.69Å; Y203-M218 HydrophobicContact CE2-CE 4.31Å; Y203-M218 HydrophobicContact CE2-SD 4.08Å; Y203-M218 WeakPolarHBondContact OH-CE 3.25Å; S216-M218 PolarHBondContact O-N 3.14Å; S216-M218 WeakPolarHBondContact OG-CB 3.39Å; S216-M218 WeakPolarHBondContact OG-CE 3.28Å; S216-M218 WeakPolarHBondContact OG-CG 3.15Å; S216-M218 PolarHBondContact OG-N 3.29Å; S216-M218 VanDerWaalsContact OG-N 3.11Å; M218-K220 VanDerWaalsContact C-N 3.27Å; M218-K220 PolarHBondContact O-N 3.2Å
219	S	48	Very low	52.6	Low	55 Å²	55	83.6 Å²	83.6	39%	0.385	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-70.6	-14.4	-179.9	64.5	0	0	0	0	114.9	S216 K217 I221	S216-S219 WeakPolarHBondContact O-CB 3.42Å; S216-S219 PolarHBondContact O-N 3.42Å; S216-S219 PolarHBondContact O-OG 3.11Å; K217-S219 PolarHBondContact O-N 3.35Å; S219-I221 PolarHBondContact O-N 2.97Å
220	K	51.8	Low	53.6	Low	166 Å²	166	85 Å²	85	72%	0.722	41%	0.414	S	S	*	.			trans	53.9	18.2	-175.3	-61.9	177.9	-178.3	169.4	0	114.9	S142 K217 M218	S142-K220 PolarHBondContact O-NZ 3.2Å; S142-K220 VanDerWaalsContact O-NZ 3.08Å; K217-K220 PolarHBondContact O-N 3.43Å; M218-K220 VanDerWaalsContact C-N 3.27Å; M218-K220 PolarHBondContact O-N 3.2Å
221	I	53	Low	54.8	Low	94 Å²	94	87.2 Å²	87.2	48%	0.482	43%	0.429	S	S	.	.			trans	-82.8	132.3	178.4	-61.9	163.3	0	0	0	110.6	S219 I228	S219-I221 PolarHBondContact O-N 2.97Å; I221-I228 HydrophobicContact CD1-CD1 4.28Å; I221-I228 HydrophobicContact CD1-CG2 4.48Å; I221-I228 HydrophobicContact CG2-CD1 4.3Å; I221-I228 HydrophobicContact CG2-CG2 4.04Å
222	R	55.9	Low	57	Low	244 Å²	244	85.8 Å²	85.8	92%	0.921	43%	0.425	S	S	*	.			trans	-103.8	-26.9	-173.6	-65.5	-172.8	-179.2	-171.2	0.5	115.8
223	K	66	Low	59.4	Low	179 Å²	179	84.4 Å²	84.4	78%	0.778	43%	0.427	S	S	*	.	S	Bend	trans	-107.4	127.2	-176.8	-70.3	-172.4	178.6	-177.9	0	110.2
224	P	64.4	Low	61.7	Low	82 Å²	82	82.4 Å²	82.4	53%	0.532	42%	0.42	S	S	.	.			trans	-70.4	150.2	174	30.7	-33.9	0	0	0	110.5	I228 L230	P224-I228 VanDerWaalsContact CA-O 3.27Å; P224-I228 WeakPolarHBondContact CA-O 3.39Å; P224-L230 HydrophobicContact CB-CD2 4.07Å; P224-L230 HydrophobicContact CB-CG 4.08Å; P224-L230 HydrophobicContact CG-CD2 4.2Å; P224-L230 HydrophobicContact CG-CG 4.41Å
225	S	71.2	Confident	64.1	Low	58 Å²	58	81.9 Å²	81.9	41%	0.406	42%	0.416	S	S	.	.	B	Isolated β-bridge	trans	-139.1	174.5	170.2	76.5	0	0	0	0	109	F227 I228	S225-F227 PolarHBondContact O-N 3.06Å; S225-F227 PolarHBondContact OG-N 3.43Å; S225-I228 PolarHBondContact N-O 3.42Å; S225-I228 CarbonylContact O-C 3.18Å; S225-I228 PolarHBondContact O-N 2.83Å; S225-I228 WeakPolarHBondContact OG-CB 3.38Å; S225-I228 WeakPolarHBondContact OG-CG1 3.41Å; S225-I228 PolarHBondContact OG-N 3.29Å
226	F	69.7	Low	66.5	Low	137 Å²	137	84.1 Å²	84.1	60%	0.601	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-41.3	175.4	179.2	-104.3	0	0	0	112.1	A253 I256	F226-A253 HydrophobicContact CD1-CB 3.98Å; F226-A253 HydrophobicContact CE1-CB 3.72Å; F226-A253 HydrophobicContact CE2-CB 4.48Å; F226-A253 HydrophobicContact CG-CB 4.48Å; F226-A253 HydrophobicContact CZ-CB 3.99Å; F226-A253 WeakPolarHBondContact O-CB 3.26Å; F226-I256 HydrophobicContact CE1-CD1 4.5Å
227	F	66.1	Low	68.3	Low	90 Å²	90	84.1 Å²	84.1	40%	0.395	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-6.6	179.1	-67.8	-65.3	0	0	0	114.4	S225 A253 H254 L257	S225-F227 PolarHBondContact O-N 3.06Å; S225-F227 PolarHBondContact OG-N 3.43Å; F227-A253 HydrophobicContact CD1-CB 4.2Å; F227-H254 PolarHBondContact O-CD2 3.38Å; F227-H254 PolarHBondContact O-NE2 2.96Å; F227-L257 HydrophobicContact CB-CD1 4.02Å; F227-L257 HydrophobicContact CD1-CD1 3.61Å; F227-L257 HydrophobicContact CD1-CD2 3.69Å; F227-L257 HydrophobicContact CD1-CG 3.47Å; F227-L257 VanDerWaalsContact CD1-CG 3.47Å; F227-L257 HydrophobicContact CE1-CD1 4.45Å; F227-L257 HydrophobicContact CE1-CD2 3.81Å; F227-L257 HydrophobicContact CE1-CG 3.82Å; F227-L257 HydrophobicContact CG-CD1 4.13Å; F227-L257 HydrophobicContact CG-CD2 4.28Å; F227-L257 HydrophobicContact CG-CG 4.33Å; F227-L257 HydrophobicContact CZ-CD2 4.5Å
228	I	65.1	Low	70.3	Confident	55 Å²	55	77.5 Å²	77.5	28%	0.282	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-131.5	77.1	-178.3	-52.6	168.4	0	0	0	107.6	I221 P224 S225	I221-I228 HydrophobicContact CD1-CD1 4.28Å; I221-I228 HydrophobicContact CD1-CG2 4.48Å; I221-I228 HydrophobicContact CG2-CD1 4.3Å; I221-I228 HydrophobicContact CG2-CG2 4.04Å; P224-I228 VanDerWaalsContact CA-O 3.27Å; P224-I228 WeakPolarHBondContact CA-O 3.39Å; S225-I228 PolarHBondContact N-O 3.42Å; S225-I228 CarbonylContact O-C 3.18Å; S225-I228 PolarHBondContact O-N 2.83Å; S225-I228 WeakPolarHBondContact OG-CB 3.38Å; S225-I228 WeakPolarHBondContact OG-CG1 3.41Å; S225-I228 PolarHBondContact OG-N 3.29Å
229	P	70.7	Confident	72.2	Confident	26 Å²	26	74.6 Å²	74.6	17%	0.169	38%	0.379	C	S	.	.			trans	-70.5	158	-175.8	30	-35.5	0	0	0	112	Y234 T251 H254	P229-Y234 HydrophobicContact CG-CD2 4.39Å; P229-T251 HydrophobicContact CB-CG2 4.35Å; P229-T251 HydrophobicContact CG-CG2 3.93Å; P229-H254 VanDerWaalsContact CD-NE2 3.28Å; P229-H254 WeakPolarHBondContact CD-NE2 3.24Å
230	L	78.6	Confident	74	Confident	97 Å²	97	73.2 Å²	73.2	51%	0.508	37%	0.367	S	S	.	.			trans	-65.3	150.1	169.3	-69.7	172.8	0	0	0	110.9	P224 G232 S233 Y234	P224-L230 HydrophobicContact CB-CD2 4.07Å; P224-L230 HydrophobicContact CB-CG 4.08Å; P224-L230 HydrophobicContact CG-CD2 4.2Å; P224-L230 HydrophobicContact CG-CG 4.41Å; L230-G232 PolarHBondContact O-N 3.47Å; L230-G232 VanDerWaalsContact O-N 3.14Å; L230-S233 PolarHBondContact O-N 3.17Å; L230-Y234 PolarHBondContact O-N 2.99Å
231	P	78.1	Confident	75.5	Confident	48 Å²	48	65.5 Å²	65.5	31%	0.312	33%	0.334	S	S	.	.	H	α-helix	trans	-53.5	-36.8	178.3	-28	35.2	0	0	0	114	I58 Y234 A235	I58-P231 HydrophobicContact CG1-CB 4.3Å; P231-Y234 PolarHBondContact O-N 3.36Å; P231-A235 WeakPolarHBondContact O-CB 3.42Å; P231-A235 PolarHBondContact O-N 3.15Å
232	G	82.1	Confident	76.9	Confident	30 Å²	30	62 Å²	62	31%	0.309	32%	0.316	S	S	.	.	H	α-helix	trans	-65.8	-46.8	176.4	0	0	0	0	0	113	C61 L230 Y234 A235 K236	C61-G232 PolarHBondContact SG-N 2.94Å; C61-G232 VanDerWaalsContact SG-N 3.44Å; L230-G232 PolarHBondContact O-N 3.47Å; L230-G232 VanDerWaalsContact O-N 3.14Å; G232-Y234 VanDerWaalsContact C-N 3.3Å; G232-Y234 PolarHBondContact O-N 3.31Å; G232-A235 PolarHBondContact O-N 3.4Å; G232-K236 VanDerWaalsContact O-CB 3.25Å; G232-K236 WeakPolarHBondContact O-CB 3.28Å; G232-K236 PolarHBondContact O-N 3.5Å
233	S	83.5	Confident	78	Confident	70 Å²	70	52.9 Å²	52.9	49%	0.49	30%	0.298	S	S	.	.	H	α-helix	trans	-64.3	-38.1	176	-59.4	0	0	0	0	111.7	L230 S237	L230-S233 PolarHBondContact O-N 3.17Å; S233-S237 VanDerWaalsContact O-CB 3.32Å; S233-S237 WeakPolarHBondContact O-CB 3.33Å; S233-S237 PolarHBondContact O-N 3.46Å
234	Y	83.1	Confident	78.6	Confident	6 Å²	6	46 Å²	46	2%	0.024	27%	0.271	C	S	.	.	H	α-helix	trans	-60.9	-57.1	174.4	179.9	-89	0	0	0	111.4	I58 Y62 Y213 V214 P229 L230 P231 G232 K236 S237 A238 N249 T251 H254	I58-Y234 HydrophobicContact CG2-CD1 4.17Å; I58-Y234 HydrophobicContact CG2-CE1 4.35Å; Y62-Y234 HydrophobicContact CE2-CD1 4.42Å; Y62-Y234 HydrophobicContact CE2-CE1 4.14Å; Y213-Y234 PolarHBondContact O-OH 3.46Å; V214-Y234 HydrophobicContact CB-CE1 4.45Å; V214-Y234 HydrophobicContact CG1-CD1 4.29Å; V214-Y234 HydrophobicContact CG1-CE1 3.54Å; V214-Y234 HydrophobicContact CG1-CE2 4.41Å; V214-Y234 HydrophobicContact CG2-CE1 4.3Å; V214-Y234 WeakPolarHBondContact CG2-OH 3.3Å; P229-Y234 HydrophobicContact CG-CD2 4.39Å; L230-Y234 PolarHBondContact O-N 2.99Å; P231-Y234 PolarHBondContact O-N 3.36Å; G232-Y234 VanDerWaalsContact C-N 3.3Å; G232-Y234 PolarHBondContact O-N 3.31Å; Y234-K236 VanDerWaalsContact C-N 3.34Å; Y234-K236 PolarHBondContact O-N 2.94Å; Y234-S237 PolarHBondContact O-N 2.89Å; Y234-A238 HydrophobicContact CE1-CB 4.27Å; Y234-A238 WeakPolarHBondContact O-CB 3.48Å; Y234-A238 PolarHBondContact O-N 3.02Å; Y234-N249 WeakPolarHBondContact CE2-O 3.47Å; Y234-T251 HydrophobicContact CD2-CG2 3.91Å; Y234-H254 AromaticContact CD2-CE1 3.89Å; Y234-H254 AromaticContact CE2-CE1 3.9Å; Y234-H254 AromaticContact CE2-ND1 3.8Å
235	A	84.2	Confident	79.2	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.2	-44	-178.7	0	0	0	0	0	111.5	C61 Y62 E65 P231 G232 S237 A238 V239	C61-A235 HydrophobicContact CB-CB 3.58Å; Y62-A235 HydrophobicContact CD2-CB 3.88Å; Y62-A235 HydrophobicContact CE2-CB 4.21Å; Y62-A235 HydrophobicContact CG-CB 4.24Å; E65-A235 HydrophobicContact CG-CB 4.41Å; P231-A235 WeakPolarHBondContact O-CB 3.42Å; P231-A235 PolarHBondContact O-N 3.15Å; G232-A235 PolarHBondContact O-N 3.4Å; A235-S237 VanDerWaalsContact C-N 3.32Å; A235-S237 PolarHBondContact O-N 3.34Å; A235-A238 PolarHBondContact O-N 2.85Å; A235-V239 WeakPolarHBondContact O-CB 3.45Å; A235-V239 VanDerWaalsContact O-CG2 3.23Å; A235-V239 WeakPolarHBondContact O-CG2 3.42Å; A235-V239 PolarHBondContact O-N 3.25Å
236	K	87	Confident	79.2	Confident	101 Å²	101	47 Å²	47	44%	0.439	28%	0.278	S	S	.	.	H	α-helix	trans	-57.3	-45.6	176.6	178.4	172.9	-178.1	177.8	0	112	E65 G232 Y234 N240	E65-K236 HydrophobicContact CG-CB 4.08Å; E65-K236 WeakPolarHBondContact OE2-CB 3.41Å; E65-K236 WeakPolarHBondContact OE2-CG 3.49Å; G232-K236 VanDerWaalsContact O-CB 3.25Å; G232-K236 WeakPolarHBondContact O-CB 3.28Å; G232-K236 PolarHBondContact O-N 3.5Å; Y234-K236 VanDerWaalsContact C-N 3.34Å; Y234-K236 PolarHBondContact O-N 2.94Å; K236-N240 PolarHBondContact O-ND2 2.84Å
237	S	85.5	Confident	79.2	Confident	26 Å²	26	45.1 Å²	45.1	18%	0.182	27%	0.274	C	S	.	.	H	α-helix	trans	-67.6	-45.4	178.4	-176.4	0	0	0	0	111.1	S233 Y234 A235 V239 N240 G250	S233-S237 VanDerWaalsContact O-CB 3.32Å; S233-S237 WeakPolarHBondContact O-CB 3.33Å; S233-S237 PolarHBondContact O-N 3.46Å; Y234-S237 PolarHBondContact O-N 2.89Å; A235-S237 VanDerWaalsContact C-N 3.32Å; A235-S237 PolarHBondContact O-N 3.34Å; S237-V239 PolarHBondContact O-N 3.47Å; S237-N240 WeakPolarHBondContact O-CB 3.36Å; S237-N240 PolarHBondContact O-N 3.3Å; S237-N240 VanDerWaalsContact O-N 3.13Å; S237-G250 CarbonylContact C-O 3.28Å; S237-G250 VanDerWaalsContact C-O 3.28Å; S237-G250 WeakPolarHBondContact CB-O 2.89Å; S237-G250 PolarHBondContact OG-O 3.25Å
238	A	85.3	Confident	79.6	Confident	2 Å²	2	42.4 Å²	42.4	2%	0.017	27%	0.265	C	S	.	.	H	α-helix	trans	-66.8	-36.6	-178.4	0	0	0	0	0	113.4	Y62 Y234 A235 N240 T241 G250	Y62-A238 HydrophobicContact CE1-CB 4.42Å; Y62-A238 WeakPolarHBondContact OH-CB 3.42Å; Y234-A238 HydrophobicContact CE1-CB 4.27Å; Y234-A238 WeakPolarHBondContact O-CB 3.48Å; Y234-A238 PolarHBondContact O-N 3.02Å; A235-A238 PolarHBondContact O-N 2.85Å; A238-N240 PolarHBondContact O-N 3.45Å; A238-T241 PolarHBondContact O-N 3.06Å; A238-T241 VanDerWaalsContact O-N 3.13Å; A238-T241 PolarHBondContact O-OG1 2.8Å; A238-G250 PolarHBondContact N-O 3.29Å; A238-G250 VanDerWaalsContact N-O 3.15Å
239	V	86.6	Confident	79.7	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.006	26%	0.259	C	S	.	.	H	α-helix	trans	-67.4	-24.6	175.8	-179.4	0	0	0	0	111.2	Y62 E65 L66 R69 A235 S237 T241 I242	Y62-V239 HydrophobicContact CD1-CG2 3.57Å; Y62-V239 HydrophobicContact CE1-CG2 3.65Å; E65-V239 HydrophobicContact CB-CG2 4.22Å; L66-V239 HydrophobicContact CD2-CG1 3.76Å; L66-V239 HydrophobicContact CD2-CG2 4.36Å; L66-V239 HydrophobicContact CG-CG1 4.49Å; L66-V239 HydrophobicContact CG-CG2 4.43Å; R69-V239 VanDerWaalsContact CZ-CG1 3.44Å; R69-V239 VanDerWaalsContact NE-CG1 3.29Å; R69-V239 PolarHBondContact NH1-O 3.48Å; A235-V239 WeakPolarHBondContact O-CB 3.45Å; A235-V239 VanDerWaalsContact O-CG2 3.23Å; A235-V239 WeakPolarHBondContact O-CG2 3.42Å; A235-V239 PolarHBondContact O-N 3.25Å; S237-V239 PolarHBondContact O-N 3.47Å; V239-T241 VanDerWaalsContact C-N 3.26Å; V239-T241 PolarHBondContact O-N 3.09Å; V239-I242 HydrophobicContact CB-CD1 4.48Å; V239-I242 HydrophobicContact CG1-CD1 4.08Å
240	N	86.4	Confident	79.9	Confident	26 Å²	26	39.9 Å²	39.9	14%	0.139	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-18.2	173.6	-74.6	-52.4	0	0	0	113.7	T39 R69 K236 S237 A238	T39-N240 WeakPolarHBondContact CG2-O 3.34Å; R69-N240 VanDerWaalsContact NH2-CG 3.29Å; R69-N240 PolarHBondContact NH2-OD1 2.66Å; K236-N240 PolarHBondContact O-ND2 2.84Å; S237-N240 WeakPolarHBondContact O-CB 3.36Å; S237-N240 PolarHBondContact O-N 3.3Å; S237-N240 VanDerWaalsContact O-N 3.13Å; A238-N240 PolarHBondContact O-N 3.45Å
241	T	83.7	Confident	79.9	Confident	4 Å²	4	35.8 Å²	35.8	3%	0.025	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-6.3	-176.6	66.4	0	0	0	0	112.4	E29 Y30 A238 V239 G243 V244 T245 T248	E29-T241 HydrophobicContact CG-CG2 3.82Å; E29-T241 WeakPolarHBondContact OE1-CB 3.34Å; E29-T241 WeakPolarHBondContact OE1-CG2 3.41Å; Y30-T241 HydrophobicContact CD1-CG2 4.5Å; Y30-T241 HydrophobicContact CE1-CG2 3.99Å; A238-T241 PolarHBondContact O-N 3.06Å; A238-T241 VanDerWaalsContact O-N 3.13Å; A238-T241 PolarHBondContact O-OG1 2.8Å; V239-T241 VanDerWaalsContact C-N 3.26Å; V239-T241 PolarHBondContact O-N 3.09Å; T241-G243 PolarHBondContact O-N 3.13Å; T241-G243 VanDerWaalsContact O-N 3.15Å; T241-V244 WeakPolarHBondContact O-CB 3.41Å; T241-V244 PolarHBondContact O-N 2.9Å; T241-T245 PolarHBondContact O-N 2.57Å; T241-T248 VanDerWaalsContact OG1-CB 3.28Å; T241-T248 WeakPolarHBondContact OG1-CB 3.5Å; T241-T248 VanDerWaalsContact OG1-CG2 3.27Å; T241-T248 WeakPolarHBondContact OG1-CG2 3.39Å; T241-T248 PolarHBondContact OG1-OG1 3.24Å
242	I	81.7	Confident	79.9	Confident	19 Å²	19	36.6 Å²	36.6	10%	0.097	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-57.6	118.9	174.3	-62.3	178	0	0	0	109.6	V42 L45 A184 V186 V239 V244	V42-I242 HydrophobicContact CG1-CD1 4.47Å; V42-I242 HydrophobicContact CG1-CG2 4.49Å; L45-I242 HydrophobicContact CD1-CG2 4.24Å; A184-I242 HydrophobicContact CB-CG2 3.92Å; V186-I242 HydrophobicContact CG2-CD1 4.04Å; V186-I242 HydrophobicContact CG2-CG1 4.35Å; V239-I242 HydrophobicContact CB-CD1 4.48Å; V239-I242 HydrophobicContact CG1-CD1 4.08Å; I242-V244 VanDerWaalsContact C-N 3.26Å; I242-V244 PolarHBondContact O-N 3.46Å
243	G	78.5	Confident	79.5	Confident	54 Å²	54	35.5 Å²	35.5	56%	0.557	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.6	-1	-179.6	0	0	0	0	0	115.3	T241	T241-G243 PolarHBondContact O-N 3.13Å; T241-G243 VanDerWaalsContact O-N 3.15Å
244	V	79.8	Confident	78.8	Confident	33 Å²	33	33 Å²	33	20%	0.2	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-43.1	169	-179.6	0	0	0	0	110.3	Y28 E29 A33 T39 T241 I242	Y28-V244 HydrophobicContact CD1-CG1 4.44Å; Y28-V244 HydrophobicContact CE1-CG1 4.05Å; E29-V244 HydrophobicContact CG-CG1 4.34Å; A33-V244 HydrophobicContact CB-CG1 3.63Å; A33-V244 HydrophobicContact CB-CG2 3.99Å; T39-V244 HydrophobicContact CG2-CG2 3.89Å; T241-V244 WeakPolarHBondContact O-CB 3.41Å; T241-V244 PolarHBondContact O-N 2.9Å; I242-V244 VanDerWaalsContact C-N 3.26Å; I242-V244 PolarHBondContact O-N 3.46Å
245	T	77.1	Confident	78.3	Confident	50 Å²	50	32.7 Å²	32.7	31%	0.307	20%	0.199	S	C	.	.	B	Isolated β-bridge	trans	-135.2	151.3	177.8	178.8	0	0	0	0	110	E29 T241 N247	E29-T245 HydrophobicContact CG-CG2 4.19Å; E29-T245 VanDerWaalsContact OE1-CG2 3.27Å; E29-T245 WeakPolarHBondContact OE1-CG2 3.49Å; T241-T245 PolarHBondContact O-N 2.57Å; T245-N247 VanDerWaalsContact C-N 3.28Å; T245-N247 WeakPolarHBondContact CG2-O 3.27Å; T245-N247 PolarHBondContact OG1-N 3.44Å; T245-N247 VanDerWaalsContact OG1-N 3.16Å; T245-N247 PolarHBondContact OG1-O 3.15Å
246	S	70.1	Confident	77.7	Confident	113 Å²	113	36.2 Å²	36.2	79%	0.79	22%	0.217	S	C	*	.	S	Bend	trans	-73	-25.2	170.8	58.7	0	0	0	0	112.2
247	N	69.2	Low	76.7	Confident	96 Å²	96	35.1 Å²	35.1	51%	0.513	22%	0.215	S	C	.	.	S	Bend	trans	-136	130.7	-175.9	-61.9	-44.8	0	0	0	109.9	T245	T245-N247 VanDerWaalsContact C-N 3.28Å; T245-N247 WeakPolarHBondContact CG2-O 3.27Å; T245-N247 PolarHBondContact OG1-N 3.44Å; T245-N247 VanDerWaalsContact OG1-N 3.16Å; T245-N247 PolarHBondContact OG1-O 3.15Å
248	T	74.5	Confident	75.7	Confident	34 Å²	34	36.9 Å²	36.9	21%	0.209	23%	0.225	C	C	.	.			trans	-134.2	147.4	-179.2	-170.9	0	0	0	0	110.4	E29 Y30 T241 G250	E29-T248 VanDerWaalsContact OE1-CB 3.29Å; E29-T248 WeakPolarHBondContact OE1-CB 3.48Å; E29-T248 PolarHBondContact OE1-OG1 3.36Å; Y30-T248 PolarHBondContact OH-OG1 2.89Å; Y30-T248 VanDerWaalsContact OH-OG1 3.13Å; T241-T248 VanDerWaalsContact OG1-CB 3.28Å; T241-T248 WeakPolarHBondContact OG1-CB 3.5Å; T241-T248 VanDerWaalsContact OG1-CG2 3.27Å; T241-T248 WeakPolarHBondContact OG1-CG2 3.39Å; T241-T248 PolarHBondContact OG1-OG1 3.24Å; T248-G250 PolarHBondContact O-N 2.95Å; T248-G250 PolarHBondContact OG1-N 3.14Å
249	N	68.6	Low	74.7	Confident	27 Å²	27	38.6 Å²	38.6	14%	0.144	23%	0.234	C	C	.	.			trans	-85.7	9.8	170.1	-53.4	-58.1	0	0	0	112	Y213 Y234 T251 H254 S255	Y213-N249 WeakPolarHBondContact CD2-OD1 3.14Å; Y213-N249 VanDerWaalsContact CE2-OD1 3.29Å; Y213-N249 WeakPolarHBondContact CE2-OD1 3.36Å; Y234-N249 WeakPolarHBondContact CE2-O 3.47Å; N249-T251 PolarHBondContact O-N 3.14Å; N249-H254 HydrophobicContact CB-CB 3.67Å; N249-H254 WeakPolarHBondContact O-CB 3.46Å; N249-H254 PolarHBondContact O-ND1 3.46Å; N249-S255 WeakPolarHBondContact CB-OG 3.41Å; N249-S255 VanDerWaalsContact ND2-CA 3.31Å; N249-S255 WeakPolarHBondContact ND2-CA 3.5Å; N249-S255 WeakPolarHBondContact ND2-CB 3.37Å; N249-S255 PolarHBondContact ND2-OG 3.47Å
250	G	73.3	Confident	73.2	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	74.7	-43.5	-176.7	0	0	0	0	0	113.8	S237 A238 T248	S237-G250 CarbonylContact C-O 3.28Å; S237-G250 VanDerWaalsContact C-O 3.28Å; S237-G250 WeakPolarHBondContact CB-O 2.89Å; S237-G250 PolarHBondContact OG-O 3.25Å; A238-G250 PolarHBondContact N-O 3.29Å; A238-G250 VanDerWaalsContact N-O 3.15Å; T248-G250 PolarHBondContact O-N 2.95Å; T248-G250 PolarHBondContact OG1-N 3.14Å
251	T	79.3	Confident	72.5	Confident	12 Å²	12	45.6 Å²	45.6	7%	0.074	28%	0.282	C	S	.	.	S	Bend	trans	-132.2	152.5	179.1	68.2	0	0	0	0	113	P229 Y234 N249 A253 H254 S255	P229-T251 HydrophobicContact CB-CG2 4.35Å; P229-T251 HydrophobicContact CG-CG2 3.93Å; Y234-T251 HydrophobicContact CD2-CG2 3.91Å; N249-T251 PolarHBondContact O-N 3.14Å; T251-A253 VanDerWaalsContact C-N 3.26Å; T251-A253 PolarHBondContact O-N 3.41Å; T251-H254 PolarHBondContact O-N 2.7Å; T251-H254 VanDerWaalsContact O-N 3.13Å; T251-S255 PolarHBondContact O-N 3.38Å; T251-S255 VanDerWaalsContact O-N 3.1Å; T251-S255 PolarHBondContact O-OG 3.08Å
252	L	78.6	Confident	71.9	Confident	64 Å²	64	47.7 Å²	47.7	34%	0.335	30%	0.296	S	S	.	.	H	α-helix	trans	-51.3	-43.2	174.3	176.1	59.5	0	0	0	112.7	I26 Y30 H254 S255 I256	I26-L252 HydrophobicContact CG2-CD1 3.11Å; Y30-L252 HydrophobicContact CD1-CB 4.24Å; Y30-L252 HydrophobicContact CD2-CB 4.07Å; Y30-L252 HydrophobicContact CD2-CD1 3.9Å; Y30-L252 HydrophobicContact CG-CB 3.88Å; Y30-L252 HydrophobicContact CG-CD1 4.29Å; L252-H254 VanDerWaalsContact C-N 3.32Å; L252-H254 PolarHBondContact O-N 2.87Å; L252-S255 PolarHBondContact O-N 3.31Å; L252-S255 VanDerWaalsContact O-N 3.12Å; L252-I256 HydrophobicContact CD1-CD1 4.33Å; L252-I256 HydrophobicContact CD1-CG1 4.43Å; L252-I256 HydrophobicContact CG-CD1 4.19Å; L252-I256 WeakPolarHBondContact O-CG1 3.5Å; L252-I256 PolarHBondContact O-N 2.82Å
253	A	72.7	Confident	71.4	Confident	7 Å²	7	49.3 Å²	49.3	6%	0.058	31%	0.307	C	S	.	.	H	α-helix	trans	-61.7	-39.7	-178.7	0	0	0	0	0	112.4	F226 F227 T251 I256 L257	F226-A253 HydrophobicContact CD1-CB 3.98Å; F226-A253 HydrophobicContact CE1-CB 3.72Å; F226-A253 HydrophobicContact CE2-CB 4.48Å; F226-A253 HydrophobicContact CG-CB 4.48Å; F226-A253 HydrophobicContact CZ-CB 3.99Å; F226-A253 WeakPolarHBondContact O-CB 3.26Å; F227-A253 HydrophobicContact CD1-CB 4.2Å; T251-A253 VanDerWaalsContact C-N 3.26Å; T251-A253 PolarHBondContact O-N 3.41Å; A253-I256 PolarHBondContact O-N 3.39Å; A253-L257 PolarHBondContact O-N 2.89Å
254	H	69.6	Low	70.9	Confident	17 Å²	17	49.1 Å²	49.1	8%	0.079	29%	0.292	C	S	.	.	H	α-helix	trans	-69.9	-36.6	174.6	-63.7	171	0	0	0	111.9	V215 F227 P229 Y234 N249 T251 L252 I256 L257 V258	V215-H254 VanDerWaalsContact CG2-CE1 3.45Å; V215-H254 WeakPolarHBondContact CG2-CE1 3.36Å; F227-H254 PolarHBondContact O-CD2 3.38Å; F227-H254 PolarHBondContact O-NE2 2.96Å; P229-H254 VanDerWaalsContact CD-NE2 3.28Å; P229-H254 WeakPolarHBondContact CD-NE2 3.24Å; Y234-H254 AromaticContact CD2-CE1 3.89Å; Y234-H254 AromaticContact CE2-CE1 3.9Å; Y234-H254 AromaticContact CE2-ND1 3.8Å; N249-H254 HydrophobicContact CB-CB 3.67Å; N249-H254 WeakPolarHBondContact O-CB 3.46Å; N249-H254 PolarHBondContact O-ND1 3.46Å; T251-H254 PolarHBondContact O-N 2.7Å; T251-H254 VanDerWaalsContact O-N 3.13Å; L252-H254 VanDerWaalsContact C-N 3.32Å; L252-H254 PolarHBondContact O-N 2.87Å; H254-I256 VanDerWaalsContact C-N 3.26Å; H254-I256 PolarHBondContact O-N 3.47Å; H254-L257 WeakPolarHBondContact O-CB 3.35Å; H254-L257 PolarHBondContact O-N 3.24Å; H254-L257 VanDerWaalsContact O-N 3.12Å; H254-V258 WeakPolarHBondContact O-CG2 3.35Å; H254-V258 PolarHBondContact O-N 2.96Å
255	S	73.2	Confident	70.4	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.007	30%	0.298	C	S	.	.	H	α-helix	trans	-63.6	-34.1	176.4	-57.6	0	0	0	0	112.6	I26 Y30 N249 T251 L252	I26-S255 VanDerWaalsContact CD1-CB 3.43Å; I26-S255 WeakPolarHBondContact CD1-O 3.47Å; Y30-S255 WeakPolarHBondContact CE2-OG 3.41Å; Y30-S255 PolarHBondContact OH-OG 3.23Å; N249-S255 WeakPolarHBondContact CB-OG 3.41Å; N249-S255 VanDerWaalsContact ND2-CA 3.31Å; N249-S255 WeakPolarHBondContact ND2-CA 3.5Å; N249-S255 WeakPolarHBondContact ND2-CB 3.37Å; N249-S255 PolarHBondContact ND2-OG 3.47Å; T251-S255 PolarHBondContact O-N 3.38Å; T251-S255 VanDerWaalsContact O-N 3.1Å; T251-S255 PolarHBondContact O-OG 3.08Å; L252-S255 PolarHBondContact O-N 3.31Å; L252-S255 VanDerWaalsContact O-N 3.12Å
256	I	71.2	Confident	69.9	Low	74 Å²	74	50.1 Å²	50.1	38%	0.379	30%	0.297	S	S	.	.	H	α-helix	trans	-64.5	-43.9	171.5	-65.5	165.6	0	0	0	110.9	F226 L252 A253 H254 V258 I259 S260	F226-I256 HydrophobicContact CE1-CD1 4.5Å; L252-I256 HydrophobicContact CD1-CD1 4.33Å; L252-I256 HydrophobicContact CD1-CG1 4.43Å; L252-I256 HydrophobicContact CG-CD1 4.19Å; L252-I256 WeakPolarHBondContact O-CG1 3.5Å; L252-I256 PolarHBondContact O-N 2.82Å; A253-I256 PolarHBondContact O-N 3.39Å; H254-I256 VanDerWaalsContact C-N 3.26Å; H254-I256 PolarHBondContact O-N 3.47Å; I256-V258 VanDerWaalsContact C-N 3.31Å; I256-V258 PolarHBondContact O-N 2.81Å; I256-I259 PolarHBondContact O-N 3.32Å; I256-S260 PolarHBondContact O-N 2.98Å; I256-S260 VanDerWaalsContact O-N 3.08Å
257	L	65	Low	69.9	Low	77 Å²	77	45.6 Å²	45.6	40%	0.403	26%	0.262	S	S	.	.	H	α-helix	trans	-64.7	-30.3	179.6	-73.5	173.2	0	0	0	114.3	F227 A253 H254 I259 S260	F227-L257 HydrophobicContact CB-CD1 4.02Å; F227-L257 HydrophobicContact CD1-CD1 3.61Å; F227-L257 HydrophobicContact CD1-CD2 3.69Å; F227-L257 HydrophobicContact CD1-CG 3.47Å; F227-L257 VanDerWaalsContact CD1-CG 3.47Å; F227-L257 HydrophobicContact CE1-CD1 4.45Å; F227-L257 HydrophobicContact CE1-CD2 3.81Å; F227-L257 HydrophobicContact CE1-CG 3.82Å; F227-L257 HydrophobicContact CG-CD1 4.13Å; F227-L257 HydrophobicContact CG-CD2 4.28Å; F227-L257 HydrophobicContact CG-CG 4.33Å; F227-L257 HydrophobicContact CZ-CD2 4.5Å; A253-L257 PolarHBondContact O-N 2.89Å; H254-L257 WeakPolarHBondContact O-CB 3.35Å; H254-L257 PolarHBondContact O-N 3.24Å; H254-L257 VanDerWaalsContact O-N 3.12Å; L257-I259 VanDerWaalsContact C-N 3.28Å; L257-S260 WeakPolarHBondContact CA-OG 3.47Å; L257-S260 PolarHBondContact O-OG 3.36Å
258	V	64.4	Low	70	Confident	64 Å²	64	41.7 Å²	41.7	39%	0.388	24%	0.243	S	C	.	.	H	α-helix	trans	-73.9	-24	-179.9	171.9	0	0	0	0	111.6	Y213 H254 I256	Y213-V258 HydrophobicContact CD1-CG2 4.49Å; Y213-V258 HydrophobicContact CE1-CG2 3.86Å; Y213-V258 HydrophobicContact CE2-CG1 4.28Å; Y213-V258 HydrophobicContact CE2-CG2 3.91Å; H254-V258 WeakPolarHBondContact O-CG2 3.35Å; H254-V258 PolarHBondContact O-N 2.96Å; I256-V258 VanDerWaalsContact C-N 3.31Å; I256-V258 PolarHBondContact O-N 2.81Å
259	I	64.8	Low	69.6	Low	38 Å²	38	42.3 Å²	42.3	20%	0.195	25%	0.246	C	C	.	.	H	α-helix	trans	-94.6	-27.1	178.6	-56.8	166.7	0	0	0	111.9	W19 L22 I26 I256 L257	W19-I259 HydrophobicContact CD2-CG2 4.45Å; W19-I259 HydrophobicContact CE3-CG2 3.87Å; W19-I259 HydrophobicContact CH2-CG2 3.51Å; W19-I259 HydrophobicContact CZ2-CG2 4.08Å; W19-I259 HydrophobicContact CZ3-CG2 3.38Å; L22-I259 HydrophobicContact CB-CD1 3.85Å; L22-I259 HydrophobicContact CB-CG1 4.49Å; L22-I259 HydrophobicContact CD1-CG2 4.1Å; I26-I259 HydrophobicContact CD1-CD1 3.13Å; I26-I259 HydrophobicContact CD1-CG1 4.25Å; I26-I259 HydrophobicContact CG1-CD1 4.11Å; I256-I259 PolarHBondContact O-N 3.32Å; L257-I259 VanDerWaalsContact C-N 3.28Å
260	S	54.5	Low	69.7	Low	127 Å²	127	43.7 Å²	43.7	89%	0.888	26%	0.255	S	S	*	.			trans	-68	0	177.7	65.3	0	0	0	0	112.6	I256 L257	I256-S260 PolarHBondContact O-N 2.98Å; I256-S260 VanDerWaalsContact O-N 3.08Å; L257-S260 WeakPolarHBondContact CA-OG 3.47Å; L257-S260 PolarHBondContact O-OG 3.36Å

Retrieved 260 of 260 residues in 404.9 ms (Link to these results)

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